| 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 | 31.7 | Very low | 54.8 | Low | 242 Ų | 242 | 139.5 Ų | 139.5 | 100% | 1.192 | 73% | 0.727 | S | S | * | * | 0 | 98.8 | 0 | -69.7 | -59.4 | -169.2 | 0 | 0 | 109.5 | S3 | M1-S3 PolarHBondContact O-N 3.06Š| |||
| 2 | T | 36.3 | Very low | 57.2 | Low | 144 Ų | 144 | 133.3 Ų | 133.3 | 88% | 0.883 | 69% | 0.691 | S | S | * | * | trans | -85.7 | 102.3 | 170.2 | 46 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 3 | S | 32.9 | Very low | 59.2 | Low | 103 Ų | 103 | 126.7 Ų | 126.7 | 72% | 0.72 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 140.8 | 166.9 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | M1 A5 | M1-S3 PolarHBondContact O-N 3.06Å; S3-A5 PolarHBondContact O-N 3.1Å |
| 4 | P | 42.6 | Very low | 61.2 | Low | 115 Ų | 115 | 118.9 Ų | 118.9 | 75% | 0.747 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 125.4 | 173.1 | 24.6 | -33.9 | 0 | 0 | 0 | 109.4 | K6 | P4-K6 PolarHBondContact O-N 3.43Å; P4-K6 VanDerWaalsContact O-N 3.08Å |
| 5 | A | 51.9 | Low | 62.9 | Low | 101 Ų | 101 | 114.2 Ų | 114.2 | 84% | 0.835 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -58 | 118 | -177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | S3 F7 | S3-A5 PolarHBondContact O-N 3.1Å; A5-F7 PolarHBondContact O-N 3.26Å |
| 6 | K | 53.6 | Low | 64.6 | Low | 136 Ų | 136 | 111.8 Ų | 111.8 | 59% | 0.591 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 128.1 | 176.8 | -82.1 | -175 | 164.8 | -166.2 | 0 | 109.5 | P4 R8 E12 | P4-K6 PolarHBondContact O-N 3.43Å; P4-K6 VanDerWaalsContact O-N 3.08Å; K6-R8 HydrophobicContact CB-CG 3.76Å; K6-R8 HydrophobicContact CD-CG 4.26Å; K6-R8 PolarHBondContact O-N 2.89Å; K6-E12 IonicContact NZ-OE1 2.62Å; K6-E12 PolarHBondContact NZ-OE1 3.5Å |
| 7 | F | 63 | Low | 66.2 | Low | 180 Ų | 180 | 106.8 Ų | 106.8 | 79% | 0.789 | 56% | 0.559 | S | S | * | * | trans | -73.5 | 72.5 | 166.3 | -170.7 | -93.4 | 0 | 0 | 0 | 109.2 | A5 | A5-F7 PolarHBondContact O-N 3.26Š| ||
| 8 | R | 70.7 | Confident | 67.6 | Low | 118 Ų | 118 | 104.8 Ų | 104.8 | 45% | 0.445 | 55% | 0.546 | S | S | . | . | trans | -66.6 | 137.9 | 179.9 | -58.8 | -168.3 | -164.8 | -177.7 | 1.6 | 109.6 | K6 E12 I13 E16 | K6-R8 HydrophobicContact CB-CG 3.76Å; K6-R8 HydrophobicContact CD-CG 4.26Å; K6-R8 PolarHBondContact O-N 2.89Å; R8-E12 VanDerWaalsContact CA-OE2 3.31Å; R8-E12 WeakPolarHBondContact CA-OE2 3.46Å; R8-E12 HydrophobicContact CB-CB 4.46Å; R8-I13 HydrophobicContact CB-CD1 4Å; R8-I13 HydrophobicContact CB-CG1 3.72Å; R8-E16 IonicContact CZ-OE1 2.61Å; R8-E16 IonicContact CZ-OE2 2.66Å; R8-E16 IonicContact NE-OE2 3.44Å; R8-E16 IonicContact NH1-OE1 2.94Å; R8-E16 PolarHBondContact NH1-OE1 3.08Å; R8-E16 IonicContact NH1-OE2 2.86Å; R8-E16 PolarHBondContact NH1-OE2 2.79Å | ||
| 9 | K | 70.8 | Confident | 69.1 | Low | 149 Ų | 149 | 102.9 Ų | 102.9 | 65% | 0.648 | 54% | 0.54 | S | S | * | . | trans | -93.5 | 156.4 | 172.7 | -68.1 | 177.2 | -179.4 | 173.4 | 0 | 109.4 | K11 E12 I13 | K9-K11 PolarHBondContact O-N 3.25Å; K9-K11 VanDerWaalsContact O-N 3.09Å; K9-E12 WeakPolarHBondContact O-CB 3.13Å; K9-E12 PolarHBondContact O-N 3.03Å; K9-I13 PolarHBondContact O-N 3.2Å | ||
| 10 | D | 72.6 | Confident | 70.2 | Confident | 68 Ų | 68 | 103.3 Ų | 103.3 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -38 | -52 | 176.9 | 177.2 | 42.7 | 0 | 0 | 0 | 113.2 | E12 I13 V14 H168 | D10-E12 VanDerWaalsContact C-N 3.32Å; D10-E12 PolarHBondContact O-N 2.93Å; D10-I13 PolarHBondContact O-N 3.2Å; D10-V14 WeakPolarHBondContact O-CB 3.37Å; D10-V14 VanDerWaalsContact O-CG2 3.24Å; D10-V14 WeakPolarHBondContact O-CG2 3.32Å; D10-V14 PolarHBondContact O-N 2.99Å; D10-H168 HydrophobicContact CB-CB 4.33Å; D10-H168 WeakPolarHBondContact OD1-CB 3.35Å; D10-H168 IonicContact OD1-CE1 2.62Å; D10-H168 IonicContact OD1-CG 2.91Å; D10-H168 IonicContact OD1-ND1 3.4Å; D10-H168 PolarHBondContact OD1-ND1 2.93Å |
| 11 | K | 76.6 | Confident | 71.4 | Confident | 179 Ų | 179 | 99.2 Ų | 99.2 | 78% | 0.778 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.2 | -28.7 | 178.3 | -63.7 | -168.7 | 175.9 | -168.6 | 0 | 116.1 | K9 A15 | K9-K11 PolarHBondContact O-N 3.25Å; K9-K11 VanDerWaalsContact O-N 3.09Å; K11-A15 VanDerWaalsContact O-CB 3.29Å; K11-A15 WeakPolarHBondContact O-CB 3.49Å; K11-A15 PolarHBondContact O-N 3.22Å |
| 12 | E | 83.6 | Confident | 74.4 | Confident | 65 Ų | 65 | 93.6 Ų | 93.6 | 30% | 0.304 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.6 | -50.9 | 178.2 | -171.4 | 178.8 | 179.6 | 0 | 0 | 109.2 | K6 R8 K9 D10 V14 A15 E16 | K6-E12 IonicContact NZ-OE1 2.62Å; K6-E12 PolarHBondContact NZ-OE1 3.5Å; R8-E12 VanDerWaalsContact CA-OE2 3.31Å; R8-E12 WeakPolarHBondContact CA-OE2 3.46Å; R8-E12 HydrophobicContact CB-CB 4.46Å; K9-E12 WeakPolarHBondContact O-CB 3.13Å; K9-E12 PolarHBondContact O-N 3.03Å; D10-E12 VanDerWaalsContact C-N 3.32Å; D10-E12 PolarHBondContact O-N 2.93Å; E12-V14 PolarHBondContact O-N 3.29Å; E12-A15 PolarHBondContact O-N 3.12Å; E12-E16 WeakPolarHBondContact O-CG 3.42Å; E12-E16 PolarHBondContact O-N 2.91Å |
| 13 | I | 83.6 | Confident | 77.2 | Confident | 47 Ų | 47 | 92.1 Ų | 92.1 | 24% | 0.241 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.7 | -42.7 | -179.6 | -52.7 | 172.4 | 0 | 0 | 0 | 111.1 | R8 K9 D10 A15 E16 Y17 M164 | R8-I13 HydrophobicContact CB-CD1 4Å; R8-I13 HydrophobicContact CB-CG1 3.72Å; K9-I13 PolarHBondContact O-N 3.2Å; D10-I13 PolarHBondContact O-N 3.2Å; I13-A15 PolarHBondContact O-N 3.27Å; I13-E16 PolarHBondContact O-N 2.65Å; I13-Y17 WeakPolarHBondContact O-CB 3.31Å; I13-Y17 PolarHBondContact O-N 3.1Å; I13-M164 HydrophobicContact CG2-SD 3.75Å |
| 14 | V | 86.7 | Confident | 80.2 | Confident | 18 Ų | 18 | 88.1 Ų | 88.1 | 11% | 0.109 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 177 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | D10 E12 Y17 E18 Y161 M164 | D10-V14 WeakPolarHBondContact O-CB 3.37Å; D10-V14 VanDerWaalsContact O-CG2 3.24Å; D10-V14 WeakPolarHBondContact O-CG2 3.32Å; D10-V14 PolarHBondContact O-N 2.99Å; E12-V14 PolarHBondContact O-N 3.29Å; V14-Y17 PolarHBondContact O-N 3.22Å; V14-E18 HydrophobicContact CG1-CG 4.37Å; V14-E18 WeakPolarHBondContact CG1-OE1 3.49Å; V14-E18 WeakPolarHBondContact O-CB 3.32Å; V14-E18 VanDerWaalsContact O-CG 3.32Å; V14-E18 WeakPolarHBondContact O-CG 3.4Å; V14-E18 PolarHBondContact O-N 3.09Å; V14-Y161 HydrophobicContact CG1-CE2 3.79Å; V14-M164 HydrophobicContact CG2-CE 4.15Å |
| 15 | A | 87.3 | Confident | 82.7 | Confident | 48 Ų | 48 | 89.2 Ų | 89.2 | 40% | 0.397 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71.4 | -37.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K11 E12 I13 T19 | K11-A15 VanDerWaalsContact O-CB 3.29Å; K11-A15 WeakPolarHBondContact O-CB 3.49Å; K11-A15 PolarHBondContact O-N 3.22Å; E12-A15 PolarHBondContact O-N 3.12Å; I13-A15 PolarHBondContact O-N 3.27Å; A15-T19 PolarHBondContact O-N 3.44Å; A15-T19 VanDerWaalsContact O-N 3.13Å; A15-T19 PolarHBondContact O-OG1 3.31Å |
| 16 | E | 89.8 | Confident | 84.9 | Confident | 76 Ų | 76 | 87.2 Ų | 87.2 | 36% | 0.355 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 171.5 | -70.8 | 170.3 | 138.5 | 0 | 0 | 110.2 | R8 E12 I13 T19 Q20 | R8-E16 IonicContact CZ-OE1 2.61Å; R8-E16 IonicContact CZ-OE2 2.66Å; R8-E16 IonicContact NE-OE2 3.44Å; R8-E16 IonicContact NH1-OE1 2.94Å; R8-E16 PolarHBondContact NH1-OE1 3.08Å; R8-E16 IonicContact NH1-OE2 2.86Å; R8-E16 PolarHBondContact NH1-OE2 2.79Å; E12-E16 WeakPolarHBondContact O-CG 3.42Å; E12-E16 PolarHBondContact O-N 2.91Å; I13-E16 PolarHBondContact O-N 2.65Å; E16-T19 WeakPolarHBondContact O-CB 3.45Å; E16-T19 PolarHBondContact O-N 2.97Å; E16-Q20 PolarHBondContact O-N 3.16Å |
| 17 | Y | 92.1 | Very high | 86.9 | Confident | 27 Ų | 27 | 85.4 Ų | 85.4 | 11% | 0.106 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 178.9 | -173.4 | -99.4 | 0 | 0 | 0 | 113.3 | I13 V14 T19 Q20 V21 L157 L160 Y161 M164 | I13-Y17 WeakPolarHBondContact O-CB 3.31Å; I13-Y17 PolarHBondContact O-N 3.1Å; V14-Y17 PolarHBondContact O-N 3.22Å; Y17-T19 PolarHBondContact O-N 2.83Å; Y17-T19 VanDerWaalsContact O-N 3.14Å; Y17-Q20 PolarHBondContact O-N 2.97Å; Y17-V21 HydrophobicContact CD1-CG2 4.01Å; Y17-V21 HydrophobicContact CE1-CG2 3.47Å; Y17-V21 VanDerWaalsContact CE1-CG2 3.47Å; Y17-V21 HydrophobicContact CE2-CG2 4.16Å; Y17-V21 WeakPolarHBondContact O-CG2 3.18Å; Y17-V21 PolarHBondContact O-N 2.99Å; Y17-L157 WeakPolarHBondContact OH-CA 3.49Å; Y17-L157 WeakPolarHBondContact OH-CD2 3.46Å; Y17-L157 PolarHBondContact OH-O 3.3Å; Y17-L160 HydrophobicContact CE2-CD2 3.88Å; Y17-Y161 HydrophobicContact CD1-CD2 4.09Å; Y17-Y161 HydrophobicContact CE1-CD2 4.41Å; Y17-M164 HydrophobicContact CD1-CE 4.09Å; Y17-M164 HydrophobicContact CG-CE 4.02Å |
| 18 | E | 92 | Very high | 88.5 | Confident | 71 Ų | 71 | 77.1 Ų | 77.1 | 33% | 0.332 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.1 | -16.3 | 174.2 | -77.6 | -176.6 | -159.8 | 0 | 0 | 113.4 | V14 K22 Y161 | V14-E18 HydrophobicContact CG1-CG 4.37Å; V14-E18 WeakPolarHBondContact CG1-OE1 3.49Å; V14-E18 WeakPolarHBondContact O-CB 3.32Å; V14-E18 VanDerWaalsContact O-CG 3.32Å; V14-E18 WeakPolarHBondContact O-CG 3.4Å; V14-E18 PolarHBondContact O-N 3.09Å; E18-K22 WeakPolarHBondContact O-CD 3.38Å; E18-K22 WeakPolarHBondContact O-CE 3.36Å; E18-K22 WeakPolarHBondContact O-CG 3.37Å; E18-K22 PolarHBondContact O-NZ 2.82Å; E18-K22 IonicContact OE2-NZ 2.83Å; E18-Y161 HydrophobicContact CG-CD2 4.36Å; E18-Y161 HydrophobicContact CG-CE2 3.72Å; E18-Y161 VanDerWaalsContact OE1-CE2 3.23Å; E18-Y161 WeakPolarHBondContact OE1-CE2 3.49Å; E18-Y161 PolarHBondContact OE1-OH 2.98Å |
| 19 | T | 94.4 | Very high | 89.7 | Confident | 68 Ų | 68 | 75.2 Ų | 75.2 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -82.5 | -50.2 | 173 | -56.2 | 0 | 0 | 0 | 0 | 109.9 | A15 E16 Y17 V21 K22 E23 | A15-T19 PolarHBondContact O-N 3.44Å; A15-T19 VanDerWaalsContact O-N 3.13Å; A15-T19 PolarHBondContact O-OG1 3.31Å; E16-T19 WeakPolarHBondContact O-CB 3.45Å; E16-T19 PolarHBondContact O-N 2.97Å; Y17-T19 PolarHBondContact O-N 2.83Å; Y17-T19 VanDerWaalsContact O-N 3.14Å; T19-V21 VanDerWaalsContact C-N 3.3Å; T19-V21 PolarHBondContact O-N 2.85Å; T19-K22 WeakPolarHBondContact O-CA 3.33Å; T19-K22 WeakPolarHBondContact O-CB 3.24Å; T19-K22 PolarHBondContact O-N 3.4Å; T19-E23 PolarHBondContact O-N 3.13Å |
| 20 | Q | 92.9 | Very high | 91 | Very high | 110 Ų | 110 | 73 Ų | 73 | 51% | 0.514 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.3 | -39.9 | 176.6 | -167.9 | 179.4 | 10.9 | 0 | 0 | 112.7 | E16 Y17 K22 E23 V24 | E16-Q20 PolarHBondContact O-N 3.16Å; Y17-Q20 PolarHBondContact O-N 2.97Å; Q20-K22 VanDerWaalsContact C-N 3.3Å; Q20-K22 PolarHBondContact O-N 2.84Å; Q20-E23 PolarHBondContact O-N 3.11Å; Q20-V24 WeakPolarHBondContact O-CG2 3.49Å; Q20-V24 PolarHBondContact O-N 3.24Å |
| 21 | V | 94.8 | Very high | 92.1 | Very high | 19 Ų | 19 | 71.4 Ų | 71.4 | 12% | 0.115 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68 | -27.7 | 176.5 | 174.5 | 0 | 0 | 0 | 0 | 112.6 | Y17 T19 R25 M154 L157 | Y17-V21 HydrophobicContact CD1-CG2 4.01Å; Y17-V21 HydrophobicContact CE1-CG2 3.47Å; Y17-V21 VanDerWaalsContact CE1-CG2 3.47Å; Y17-V21 HydrophobicContact CE2-CG2 4.16Å; Y17-V21 WeakPolarHBondContact O-CG2 3.18Å; Y17-V21 PolarHBondContact O-N 2.99Å; T19-V21 VanDerWaalsContact C-N 3.3Å; T19-V21 PolarHBondContact O-N 2.85Å; V21-R25 WeakPolarHBondContact O-CB 3.43Å; V21-R25 PolarHBondContact O-N 3.47Å; V21-R25 VanDerWaalsContact O-N 3.11Å; V21-M154 HydrophobicContact CG1-CE 3.78Å; V21-L157 HydrophobicContact CG2-CB 4.3Å; V21-L157 HydrophobicContact CG2-CD2 4.41Å |
| 22 | K | 94.8 | Very high | 92.9 | Very high | 124 Ų | 124 | 64.7 Ų | 64.7 | 54% | 0.539 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -74.7 | -38.5 | 172.6 | -70.8 | 164.4 | -166.3 | 135.3 | 0 | 111.4 | E18 T19 Q20 R25 A26 | E18-K22 WeakPolarHBondContact O-CD 3.38Å; E18-K22 WeakPolarHBondContact O-CE 3.36Å; E18-K22 WeakPolarHBondContact O-CG 3.37Å; E18-K22 PolarHBondContact O-NZ 2.82Å; E18-K22 IonicContact OE2-NZ 2.83Å; T19-K22 WeakPolarHBondContact O-CA 3.33Å; T19-K22 WeakPolarHBondContact O-CB 3.24Å; T19-K22 PolarHBondContact O-N 3.4Å; Q20-K22 VanDerWaalsContact C-N 3.3Å; Q20-K22 PolarHBondContact O-N 2.84Å; K22-R25 PolarHBondContact O-N 3.38Å; K22-A26 WeakPolarHBondContact O-CB 3.17Å; K22-A26 PolarHBondContact O-N 2.91Å |
| 23 | E | 95.4 | Very high | 93.4 | Very high | 112 Ų | 112 | 66.6 Ų | 66.6 | 52% | 0.523 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 175 | -68.9 | 167.5 | 180 | 0 | 0 | 111.4 | T19 Q20 A26 Q27 | T19-E23 PolarHBondContact O-N 3.13Å; Q20-E23 PolarHBondContact O-N 3.11Å; E23-A26 PolarHBondContact O-N 3.43Å; E23-Q27 WeakPolarHBondContact O-CG 2.88Å; E23-Q27 PolarHBondContact O-N 3.26Å |
| 24 | V | 95.6 | Very high | 93.9 | Very high | 19 Ų | 19 | 67.5 Ų | 67.5 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.3 | -52.4 | 172.8 | 172 | 0 | 0 | 0 | 0 | 110.3 | Q20 A26 Q27 L28 L157 | Q20-V24 WeakPolarHBondContact O-CG2 3.49Å; Q20-V24 PolarHBondContact O-N 3.24Å; V24-A26 VanDerWaalsContact C-N 3.25Å; V24-A26 PolarHBondContact O-N 3.49Å; V24-Q27 WeakPolarHBondContact O-CB 3.18Å; V24-Q27 PolarHBondContact O-N 3.31Å; V24-L28 HydrophobicContact CG1-CD1 4.27Å; V24-L28 HydrophobicContact CG1-CG 4.2Å; V24-L28 WeakPolarHBondContact O-CG 3.34Å; V24-L28 PolarHBondContact O-N 3.18Å; V24-L157 HydrophobicContact CG1-CD1 4.02Å |
| 25 | R | 95.6 | Very high | 94.2 | Very high | 138 Ų | 138 | 68.2 Ų | 68.2 | 52% | 0.521 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.1 | -38.4 | 178.8 | -176.2 | -174.4 | -69.2 | -128.1 | 3.4 | 112.9 | V21 K22 L28 V29 M154 | V21-R25 WeakPolarHBondContact O-CB 3.43Å; V21-R25 PolarHBondContact O-N 3.47Å; V21-R25 VanDerWaalsContact O-N 3.11Å; K22-R25 PolarHBondContact O-N 3.38Å; R25-L28 PolarHBondContact O-N 2.93Å; R25-V29 WeakPolarHBondContact O-CG2 3.49Å; R25-V29 PolarHBondContact O-N 3.33Å; R25-M154 HydrophobicContact CB-SD 4.19Å |
| 26 | A | 96.3 | Very high | 94.4 | Very high | 59 Ų | 59 | 67.9 Ų | 67.9 | 49% | 0.488 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | K22 E23 V24 V29 E30 | K22-A26 WeakPolarHBondContact O-CB 3.17Å; K22-A26 PolarHBondContact O-N 2.91Å; E23-A26 PolarHBondContact O-N 3.43Å; V24-A26 VanDerWaalsContact C-N 3.25Å; V24-A26 PolarHBondContact O-N 3.49Å; A26-V29 PolarHBondContact O-N 2.95Å; A26-E30 PolarHBondContact O-N 3.21Å; A26-E30 VanDerWaalsContact O-N 3.09Å |
| 27 | Q | 97.1 | Very high | 94.6 | Very high | 99 Ų | 99 | 69.7 Ų | 69.7 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 174.6 | -68.3 | 178.9 | 4.1 | 0 | 0 | 112.5 | E23 V24 V29 E30 Q31 Y268 | E23-Q27 WeakPolarHBondContact O-CG 2.88Å; E23-Q27 PolarHBondContact O-N 3.26Å; V24-Q27 WeakPolarHBondContact O-CB 3.18Å; V24-Q27 PolarHBondContact O-N 3.31Å; Q27-V29 VanDerWaalsContact C-N 3.3Å; Q27-V29 PolarHBondContact O-N 3.36Å; Q27-E30 PolarHBondContact O-N 3.06Å; Q27-E30 VanDerWaalsContact O-N 3.11Å; Q27-Q31 VanDerWaalsContact O-CG 3.3Å; Q27-Q31 WeakPolarHBondContact O-CG 3.45Å; Q27-Q31 PolarHBondContact O-N 3.22Å; Q27-Y268 PolarHBondContact OE1-OH 2.94Å |
| 28 | L | 96.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 72.3 Ų | 72.3 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 178.2 | -62.9 | -170.8 | 0 | 0 | 0 | 111.9 | V24 R25 L32 Q150 L153 M154 Y267 | V24-L28 HydrophobicContact CG1-CD1 4.27Å; V24-L28 HydrophobicContact CG1-CG 4.2Å; V24-L28 WeakPolarHBondContact O-CG 3.34Å; V24-L28 PolarHBondContact O-N 3.18Å; R25-L28 PolarHBondContact O-N 2.93Å; L28-L32 PolarHBondContact O-N 3.4Å; L28-Q150 HydrophobicContact CB-CG 4.19Å; L28-Q150 HydrophobicContact CD1-CB 4.07Å; L28-Q150 HydrophobicContact CD1-CG 4.11Å; L28-Q150 HydrophobicContact CD2-CG 4.13Å; L28-Q150 HydrophobicContact CG-CG 4.34Å; L28-Q150 PolarHBondContact O-NE2 2.57Å; L28-Q150 PolarHBondContact O-OE1 3.22Å; L28-L153 HydrophobicContact CD1-CD2 4.3Å; L28-L153 HydrophobicContact CD2-CD2 4.26Å; L28-M154 HydrophobicContact CD1-CG 4.03Å; L28-M154 HydrophobicContact CD1-SD 4.19Å; L28-Y267 HydrophobicContact CD2-CD1 4.24Å; L28-Y267 HydrophobicContact CD2-CE1 3.42Å; L28-Y267 VanDerWaalsContact CD2-CE1 3.42Å |
| 29 | V | 96 | Very high | 94.5 | Very high | 78 Ų | 78 | 69.7 Ų | 69.7 | 47% | 0.473 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 111.8 | R25 A26 Q27 L32 K33 | R25-V29 WeakPolarHBondContact O-CG2 3.49Å; R25-V29 PolarHBondContact O-N 3.33Å; A26-V29 PolarHBondContact O-N 2.95Å; Q27-V29 VanDerWaalsContact C-N 3.3Å; Q27-V29 PolarHBondContact O-N 3.36Å; V29-L32 PolarHBondContact O-N 2.66Å; V29-K33 PolarHBondContact O-N 3Å |
| 30 | E | 97.3 | Very high | 94.4 | Very high | 104 Ų | 104 | 73.2 Ų | 73.2 | 49% | 0.486 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -72.3 | -37.1 | 179.9 | -145.7 | 63.9 | -146.5 | 0 | 0 | 112.7 | A26 Q27 L32 K33 C34 | A26-E30 PolarHBondContact O-N 3.21Å; A26-E30 VanDerWaalsContact O-N 3.09Å; Q27-E30 PolarHBondContact O-N 3.06Å; Q27-E30 VanDerWaalsContact O-N 3.11Å; E30-L32 VanDerWaalsContact C-N 3.27Å; E30-L32 PolarHBondContact O-N 2.79Å; E30-K33 PolarHBondContact O-N 2.83Å; E30-K33 WeakPolarHBondContact OE1-CD 3.38Å; E30-K33 IonicContact OE1-NZ 3.35Å; E30-K33 PolarHBondContact OE1-NZ 3.15Å; E30-K33 WeakPolarHBondContact OE2-CE 3.4Å; E30-K33 IonicContact OE2-NZ 2.61Å; E30-K33 PolarHBondContact OE2-NZ 3.16Å; E30-C34 WeakPolarHBondContact O-CB 3.49Å; E30-C34 PolarHBondContact O-N 3.27Å |
| 31 | Q | 95.6 | Very high | 94.5 | Very high | 34 Ų | 34 | 72.5 Ų | 72.5 | 16% | 0.159 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -55.3 | -44.7 | 170.5 | -73.7 | 165.2 | -10.4 | 0 | 0 | 110.9 | Q27 C34 L35 Y267 L272 | Q27-Q31 VanDerWaalsContact O-CG 3.3Å; Q27-Q31 WeakPolarHBondContact O-CG 3.45Å; Q27-Q31 PolarHBondContact O-N 3.22Å; Q31-C34 WeakPolarHBondContact O-CB 3.45Å; Q31-C34 PolarHBondContact O-N 3.18Å; Q31-L35 WeakPolarHBondContact O-CG 3.3Å; Q31-L35 PolarHBondContact O-N 2.87Å; Q31-Y267 PolarHBondContact OE1-OH 3.11Å; Q31-L272 HydrophobicContact CG-CD2 4.49Å |
| 32 | L | 93.2 | Very high | 94.3 | Very high | 37 Ų | 37 | 74 Ų | 74 | 19% | 0.194 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 179.9 | -169.3 | 61.9 | 0 | 0 | 0 | 112.5 | L28 V29 E30 L35 D36 K143 V147 | L28-L32 PolarHBondContact O-N 3.4Å; V29-L32 PolarHBondContact O-N 2.66Å; E30-L32 VanDerWaalsContact C-N 3.27Å; E30-L32 PolarHBondContact O-N 2.79Å; L32-L35 PolarHBondContact O-N 3.22Å; L32-D36 PolarHBondContact O-N 3.2Å; L32-K143 HydrophobicContact CD1-CD 4.2Å; L32-K143 HydrophobicContact CD1-CG 4.01Å; L32-V147 HydrophobicContact CD1-CG2 4.26Å; L32-V147 HydrophobicContact CD2-CG2 4.02Å |
| 33 | K | 94.9 | Very high | 94.2 | Very high | 105 Ų | 105 | 70.6 Ų | 70.6 | 46% | 0.457 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 173.8 | -65.8 | -179.2 | -157.9 | 158.3 | 0 | 112.6 | V29 E30 L35 D36 Q37 | V29-K33 PolarHBondContact O-N 3Å; E30-K33 PolarHBondContact O-N 2.83Å; E30-K33 WeakPolarHBondContact OE1-CD 3.38Å; E30-K33 IonicContact OE1-NZ 3.35Å; E30-K33 PolarHBondContact OE1-NZ 3.15Å; E30-K33 WeakPolarHBondContact OE2-CE 3.4Å; E30-K33 IonicContact OE2-NZ 2.61Å; E30-K33 PolarHBondContact OE2-NZ 3.16Å; K33-L35 VanDerWaalsContact C-N 3.32Å; K33-D36 PolarHBondContact O-N 2.9Å; K33-Q37 WeakPolarHBondContact O-CB 3.44Å; K33-Q37 PolarHBondContact O-N 3.41Å |
| 34 | C | 94.7 | Very high | 94.3 | Very high | 67 Ų | 67 | 70.1 Ų | 70.1 | 45% | 0.453 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 178.3 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | E30 Q31 Q37 Q38 | E30-C34 WeakPolarHBondContact O-CB 3.49Å; E30-C34 PolarHBondContact O-N 3.27Å; Q31-C34 WeakPolarHBondContact O-CB 3.45Å; Q31-C34 PolarHBondContact O-N 3.18Å; C34-Q37 PolarHBondContact O-N 3.17Å; C34-Q38 VanDerWaalsContact O-CG 3.31Å; C34-Q38 WeakPolarHBondContact O-CG 3.21Å; C34-Q38 PolarHBondContact O-N 3.04Å |
| 35 | L | 91.6 | Very high | 94.4 | Very high | 33 Ų | 33 | 73.1 Ų | 73.1 | 17% | 0.173 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 175 | -69.4 | 173.9 | 0 | 0 | 0 | 112.4 | Q31 L32 K33 Q38 C39 F139 I275 I276 | Q31-L35 WeakPolarHBondContact O-CG 3.3Å; Q31-L35 PolarHBondContact O-N 2.87Å; L32-L35 PolarHBondContact O-N 3.22Å; K33-L35 VanDerWaalsContact C-N 3.32Å; L35-Q38 PolarHBondContact O-N 3.24Å; L35-C39 PolarHBondContact O-N 2.93Å; L35-C39 VanDerWaalsContact O-N 3.08Å; L35-F139 HydrophobicContact CB-CE2 4.03Å; L35-F139 HydrophobicContact CB-CZ 4.38Å; L35-F139 WeakPolarHBondContact O-CE2 3.28Å; L35-F139 WeakPolarHBondContact O-CZ 3.43Å; L35-I275 HydrophobicContact CD1-CG2 4.42Å; L35-I276 HydrophobicContact CD2-CG1 4Å |
| 36 | D | 92.3 | Very high | 94.4 | Very high | 41 Ų | 41 | 66.6 Ų | 66.6 | 22% | 0.219 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.7 | -50.9 | 173.1 | -78.4 | -34.5 | 0 | 0 | 0 | 111.8 | L32 K33 Q38 C39 E40 F139 K143 | L32-D36 PolarHBondContact O-N 3.2Å; K33-D36 PolarHBondContact O-N 2.9Å; D36-Q38 VanDerWaalsContact C-N 3.33Å; D36-Q38 PolarHBondContact O-N 3.5Å; D36-C39 WeakPolarHBondContact O-CB 3.48Å; D36-C39 PolarHBondContact O-N 3.42Å; D36-C39 VanDerWaalsContact O-N 3.1Å; D36-E40 WeakPolarHBondContact O-CG 3.49Å; D36-E40 PolarHBondContact O-N 2.79Å; D36-F139 HydrophobicContact CB-CZ 4.47Å; D36-F139 VanDerWaalsContact OD1-CE1 3.27Å; D36-F139 WeakPolarHBondContact OD1-CE1 3.46Å; D36-F139 VanDerWaalsContact OD1-CZ 3.25Å; D36-F139 WeakPolarHBondContact OD1-CZ 3.32Å; D36-K143 WeakPolarHBondContact OD1-CD 3.17Å; D36-K143 IonicContact OD1-NZ 2.71Å; D36-K143 PolarHBondContact OD1-NZ 2.82Å; D36-K143 IonicContact OD2-NZ 3.47Å; D36-K143 PolarHBondContact OD2-NZ 2.97Å |
| 37 | Q | 94.6 | Very high | 94.5 | Very high | 114 Ų | 114 | 67.3 Ų | 67.3 | 53% | 0.533 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | -179.7 | -171.9 | 180 | 10.5 | 0 | 0 | 112.3 | K33 C34 C39 E40 L41 | K33-Q37 WeakPolarHBondContact O-CB 3.44Å; K33-Q37 PolarHBondContact O-N 3.41Å; C34-Q37 PolarHBondContact O-N 3.17Å; Q37-C39 VanDerWaalsContact C-N 3.34Å; Q37-E40 PolarHBondContact O-N 2.96Å; Q37-L41 HydrophobicContact CG-CD1 4.25Å; Q37-L41 WeakPolarHBondContact O-CB 3.48Å; Q37-L41 VanDerWaalsContact O-CG 3.29Å; Q37-L41 WeakPolarHBondContact O-CG 3.25Å; Q37-L41 PolarHBondContact O-N 2.81Å |
| 38 | Q | 90.6 | Very high | 94.6 | Very high | 82 Ų | 82 | 66.5 Ų | 66.5 | 38% | 0.383 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 175 | -71.3 | -62.2 | -35.2 | 0 | 0 | 112.1 | C34 L35 D36 R42 | C34-Q38 VanDerWaalsContact O-CG 3.31Å; C34-Q38 WeakPolarHBondContact O-CG 3.21Å; C34-Q38 PolarHBondContact O-N 3.04Å; L35-Q38 PolarHBondContact O-N 3.24Å; D36-Q38 VanDerWaalsContact C-N 3.33Å; D36-Q38 PolarHBondContact O-N 3.5Å; Q38-R42 VanDerWaalsContact O-CD 3.29Å; Q38-R42 WeakPolarHBondContact O-CD 3.43Å; Q38-R42 WeakPolarHBondContact O-CG 3.42Å; Q38-R42 PolarHBondContact O-N 3.14Å |
| 39 | C | 89.8 | Confident | 94.7 | Very high | 16 Ų | 16 | 67.8 Ų | 67.8 | 11% | 0.108 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 172.3 | -172.8 | 0 | 0 | 0 | 0 | 111.8 | L35 D36 Q37 L41 R42 V43 F139 | L35-C39 PolarHBondContact O-N 2.93Å; L35-C39 VanDerWaalsContact O-N 3.08Å; D36-C39 WeakPolarHBondContact O-CB 3.48Å; D36-C39 PolarHBondContact O-N 3.42Å; D36-C39 VanDerWaalsContact O-N 3.1Å; Q37-C39 VanDerWaalsContact C-N 3.34Å; C39-L41 PolarHBondContact O-N 2.99Å; C39-R42 PolarHBondContact O-N 3.35Å; C39-V43 WeakPolarHBondContact O-CG2 3.23Å; C39-V43 PolarHBondContact O-N 3.37Å; C39-F139 HydrophobicContact CB-CB 4.34Å; C39-F139 HydrophobicContact CB-CD1 3.64Å; C39-F139 HydrophobicContact CB-CD2 3.69Å; C39-F139 HydrophobicContact CB-CE1 3.82Å; C39-F139 HydrophobicContact CB-CE2 3.86Å; C39-F139 HydrophobicContact CB-CG 3.58Å; C39-F139 HydrophobicContact CB-CZ 3.94Å; C39-F139 VanDerWaalsContact SG-CB 3.59Å; C39-F139 WeakPolarHBondContact SG-CD1 3.49Å; C39-F139 WeakPolarHBondContact SG-CG 3.27Å |
| 40 | E | 92.9 | Very high | 94.8 | Very high | 141 Ų | 141 | 65 Ų | 65 | 66% | 0.659 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.8 | -44.8 | 178 | -71 | 178 | 169.9 | 0 | 0 | 111.9 | D36 Q37 R42 V43 Q44 | D36-E40 WeakPolarHBondContact O-CG 3.49Å; D36-E40 PolarHBondContact O-N 2.79Å; Q37-E40 PolarHBondContact O-N 2.96Å; E40-R42 PolarHBondContact O-N 2.77Å; E40-V43 PolarHBondContact O-N 2.89Å; E40-Q44 WeakPolarHBondContact O-CB 3.45Å; E40-Q44 PolarHBondContact O-N 3.06Å |
| 41 | L | 94.8 | Very high | 94.8 | Very high | 95 Ų | 95 | 63 Ų | 63 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 176.6 | -71.6 | 169.8 | 0 | 0 | 0 | 112.9 | Q37 C39 Q44 L45 | Q37-L41 HydrophobicContact CG-CD1 4.25Å; Q37-L41 WeakPolarHBondContact O-CB 3.48Å; Q37-L41 VanDerWaalsContact O-CG 3.29Å; Q37-L41 WeakPolarHBondContact O-CG 3.25Å; Q37-L41 PolarHBondContact O-N 2.81Å; C39-L41 PolarHBondContact O-N 2.99Å; L41-Q44 PolarHBondContact O-N 2.99Å; L41-L45 WeakPolarHBondContact O-CB 3.45Å; L41-L45 PolarHBondContact O-N 2.76Å |
| 42 | R | 92.2 | Very high | 95 | Very high | 52 Ų | 52 | 66.8 Ų | 66.8 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69 | -41 | 177.3 | -69.7 | 163.9 | -172.9 | -171.6 | -7.1 | 111.9 | Q38 C39 E40 L45 L46 D280 Y283 | Q38-R42 VanDerWaalsContact O-CD 3.29Å; Q38-R42 WeakPolarHBondContact O-CD 3.43Å; Q38-R42 WeakPolarHBondContact O-CG 3.42Å; Q38-R42 PolarHBondContact O-N 3.14Å; C39-R42 PolarHBondContact O-N 3.35Å; E40-R42 PolarHBondContact O-N 2.77Å; R42-L45 PolarHBondContact O-N 3.26Å; R42-L46 VanDerWaalsContact O-CG 3.29Å; R42-L46 WeakPolarHBondContact O-CG 3.17Å; R42-L46 PolarHBondContact O-N 3.27Å; R42-D280 IonicContact CZ-OD1 2.66Å; R42-D280 IonicContact CZ-OD2 3.87Å; R42-D280 IonicContact NE-OD1 2.79Å; R42-D280 IonicContact NH1-OD1 2.67Å; R42-D280 PolarHBondContact NH1-OD1 2.93Å; R42-D280 IonicContact NH1-OD2 3.64Å; R42-D280 PolarHBondContact NH1-OD2 2.56Å; R42-D280 IonicContact NH2-OD1 2.93Å; R42-D280 PolarHBondContact NH2-OD1 3.41Å; R42-D280 IonicContact NH2-OD2 2.75Å; R42-D280 PolarHBondContact NH2-OD2 3.3Å; R42-Y283 HydrophobicContact CG-CE1 4.25Å |
| 43 | V | 92.3 | Very high | 95.2 | Very high | 52 Ų | 52 | 65.2 Ų | 65.2 | 32% | 0.315 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 174.8 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | C39 E40 L46 Q47 | C39-V43 WeakPolarHBondContact O-CG2 3.23Å; C39-V43 PolarHBondContact O-N 3.37Å; E40-V43 PolarHBondContact O-N 2.89Å; V43-L46 PolarHBondContact O-N 3.24Å; V43-Q47 PolarHBondContact O-N 2.9Å |
| 44 | Q | 96.3 | Very high | 95.4 | Very high | 102 Ų | 102 | 64.9 Ų | 64.9 | 48% | 0.477 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 174.9 | -173.7 | 61.3 | 55.7 | 0 | 0 | 111.6 | E40 L41 L46 Q47 D48 | E40-Q44 WeakPolarHBondContact O-CB 3.45Å; E40-Q44 PolarHBondContact O-N 3.06Å; L41-Q44 PolarHBondContact O-N 2.99Å; Q44-L46 VanDerWaalsContact C-N 3.3Å; Q44-L46 PolarHBondContact O-N 3.12Å; Q44-Q47 WeakPolarHBondContact O-CA 3.47Å; Q44-Q47 WeakPolarHBondContact O-CB 3.44Å; Q44-Q47 PolarHBondContact O-N 3.09Å; Q44-D48 PolarHBondContact NE2-OD1 2.95Å; Q44-D48 VanDerWaalsContact O-CG 3.24Å; Q44-D48 PolarHBondContact O-N 3.47Å |
| 45 | L | 97.4 | Very high | 95.6 | Very high | 82 Ų | 82 | 66.6 Ų | 66.6 | 43% | 0.429 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 176.7 | 177.2 | 61.4 | 0 | 0 | 0 | 112.3 | L41 R42 Q47 D48 L49 | L41-L45 WeakPolarHBondContact O-CB 3.45Å; L41-L45 PolarHBondContact O-N 2.76Å; R42-L45 PolarHBondContact O-N 3.26Å; L45-Q47 VanDerWaalsContact C-N 3.33Å; L45-D48 PolarHBondContact O-N 3.36Å; L45-L49 HydrophobicContact CD1-CD1 4.39Å; L45-L49 HydrophobicContact CD1-CG 4.43Å; L45-L49 HydrophobicContact CG-CD1 4.22Å; L45-L49 WeakPolarHBondContact O-CB 3.26Å; L45-L49 VanDerWaalsContact O-CG 3.26Å; L45-L49 WeakPolarHBondContact O-CG 3.29Å; L45-L49 PolarHBondContact O-N 3.31Å |
| 46 | L | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.8 | -31.2 | 175 | -69.9 | 167.6 | 0 | 0 | 0 | 112.6 | R42 V43 Q44 Q50 F128 I131 Y283 | R42-L46 VanDerWaalsContact O-CG 3.29Å; R42-L46 WeakPolarHBondContact O-CG 3.17Å; R42-L46 PolarHBondContact O-N 3.27Å; V43-L46 PolarHBondContact O-N 3.24Å; Q44-L46 VanDerWaalsContact C-N 3.3Å; Q44-L46 PolarHBondContact O-N 3.12Å; L46-Q50 VanDerWaalsContact O-CG 3.26Å; L46-Q50 WeakPolarHBondContact O-CG 3.29Å; L46-Q50 PolarHBondContact O-N 3.47Å; L46-Q50 PolarHBondContact O-NE2 3.24Å; L46-F128 HydrophobicContact CD2-CB 4.44Å; L46-F128 HydrophobicContact CD2-CD1 3.91Å; L46-I131 HydrophobicContact CD1-CB 4.37Å; L46-I131 HydrophobicContact CD1-CG2 3.79Å; L46-I131 HydrophobicContact CD2-CB 4.21Å; L46-I131 HydrophobicContact CD2-CG2 3.88Å; L46-Y283 HydrophobicContact CD1-CE2 4.03Å; L46-Y283 HydrophobicContact CD2-CE2 4.28Å; L46-Y283 HydrophobicContact CG-CE2 4.27Å |
| 47 | Q | 97.4 | Very high | 96.2 | Very high | 74 Ų | 74 | 65 Ų | 65 | 35% | 0.346 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.4 | -47.2 | 173 | -175.7 | 58.6 | 48.1 | 0 | 0 | 111.1 | V43 Q44 L45 L49 Q50 D51 | V43-Q47 PolarHBondContact O-N 2.9Å; Q44-Q47 WeakPolarHBondContact O-CA 3.47Å; Q44-Q47 WeakPolarHBondContact O-CB 3.44Å; Q44-Q47 PolarHBondContact O-N 3.09Å; L45-Q47 VanDerWaalsContact C-N 3.33Å; Q47-L49 VanDerWaalsContact C-N 3.3Å; Q47-L49 PolarHBondContact O-N 3.44Å; Q47-Q50 WeakPolarHBondContact O-CB 3.4Å; Q47-Q50 PolarHBondContact O-N 3.46Å; Q47-Q50 VanDerWaalsContact O-N 3.09Å; Q47-D51 VanDerWaalsContact NE2-CG 3.27Å; Q47-D51 PolarHBondContact NE2-OD1 3.4Å; Q47-D51 VanDerWaalsContact NE2-OD1 3.17Å; Q47-D51 PolarHBondContact NE2-OD2 3.04Å; Q47-D51 PolarHBondContact O-N 3.01Å |
| 48 | D | 98.4 | Very high | 96.4 | Very high | 82 Ų | 82 | 64.3 Ų | 64.3 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 178.1 | -62.5 | -23.4 | 0 | 0 | 0 | 111.2 | Q44 L45 D51 F52 | Q44-D48 PolarHBondContact NE2-OD1 2.95Å; Q44-D48 VanDerWaalsContact O-CG 3.24Å; Q44-D48 PolarHBondContact O-N 3.47Å; L45-D48 PolarHBondContact O-N 3.36Å; D48-D51 PolarHBondContact O-N 3.32Å; D48-F52 VanDerWaalsContact O-CB 3.24Å; D48-F52 WeakPolarHBondContact O-CB 3.49Å; D48-F52 PolarHBondContact O-N 3.39Å |
| 49 | L | 98.4 | Very high | 96.8 | Very high | 33 Ų | 33 | 64.9 Ų | 64.9 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 172.9 | -76.4 | 168.1 | 0 | 0 | 0 | 112.7 | L45 Q47 F53 F128 L287 | L45-L49 HydrophobicContact CD1-CD1 4.39Å; L45-L49 HydrophobicContact CD1-CG 4.43Å; L45-L49 HydrophobicContact CG-CD1 4.22Å; L45-L49 WeakPolarHBondContact O-CB 3.26Å; L45-L49 VanDerWaalsContact O-CG 3.26Å; L45-L49 WeakPolarHBondContact O-CG 3.29Å; L45-L49 PolarHBondContact O-N 3.31Å; Q47-L49 VanDerWaalsContact C-N 3.3Å; Q47-L49 PolarHBondContact O-N 3.44Å; L49-F53 WeakPolarHBondContact O-CD2 3.45Å; L49-F53 PolarHBondContact O-N 3.24Å; L49-F128 HydrophobicContact CB-CD2 4Å; L49-F128 HydrophobicContact CB-CE2 4.04Å; L49-F128 HydrophobicContact CB-CG 4.28Å; L49-F128 HydrophobicContact CB-CZ 4.36Å; L49-F128 HydrophobicContact CD1-CD1 4.34Å; L49-F128 HydrophobicContact CD1-CE1 4.02Å; L49-F128 HydrophobicContact CD1-CZ 4.23Å; L49-L287 HydrophobicContact CD1-CD1 4.06Å |
| 50 | Q | 98.2 | Very high | 97.2 | Very high | 20 Ų | 20 | 65 Ų | 65 | 9% | 0.093 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 176.5 | -74.7 | 168.6 | 82.6 | 0 | 0 | 112 | L46 Q47 R54 I125 F128 | L46-Q50 VanDerWaalsContact O-CG 3.26Å; L46-Q50 WeakPolarHBondContact O-CG 3.29Å; L46-Q50 PolarHBondContact O-N 3.47Å; L46-Q50 PolarHBondContact O-NE2 3.24Å; Q47-Q50 WeakPolarHBondContact O-CB 3.4Å; Q47-Q50 PolarHBondContact O-N 3.46Å; Q47-Q50 VanDerWaalsContact O-N 3.09Å; Q50-R54 WeakPolarHBondContact O-CB 3.28Å; Q50-R54 PolarHBondContact O-N 3.07Å; Q50-I125 HydrophobicContact CB-CG2 4.25Å; Q50-I125 HydrophobicContact CG-CG2 4.15Å; Q50-F128 HydrophobicContact CG-CB 3.52Å |
| 51 | D | 98.5 | Very high | 97.5 | Very high | 62 Ų | 62 | 60.7 Ų | 60.7 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -75.2 | -36.1 | -177.5 | -66.1 | -25 | 0 | 0 | 0 | 111.5 | Q47 D48 R54 K55 | Q47-D51 VanDerWaalsContact NE2-CG 3.27Å; Q47-D51 PolarHBondContact NE2-OD1 3.4Å; Q47-D51 VanDerWaalsContact NE2-OD1 3.17Å; Q47-D51 PolarHBondContact NE2-OD2 3.04Å; Q47-D51 PolarHBondContact O-N 3.01Å; D48-D51 PolarHBondContact O-N 3.32Å; D51-R54 PolarHBondContact O-N 3.45Å; D51-R54 IonicContact OD1-CZ 2.87Å; D51-R54 IonicContact OD1-NH1 3.09Å; D51-R54 PolarHBondContact OD1-NH1 2.95Å; D51-R54 IonicContact OD1-NH2 3.14Å; D51-R54 PolarHBondContact OD1-NH2 2.83Å; D51-K55 WeakPolarHBondContact O-CB 3.22Å; D51-K55 PolarHBondContact O-N 2.9Å |
| 52 | F | 98.7 | Very high | 97.7 | Very high | 113 Ų | 113 | 59.9 Ų | 59.9 | 50% | 0.496 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.5 | -53.4 | 168 | 171.6 | -95 | 0 | 0 | 0 | 111.7 | D48 R54 K55 K56 | D48-F52 VanDerWaalsContact O-CB 3.24Å; D48-F52 WeakPolarHBondContact O-CB 3.49Å; D48-F52 PolarHBondContact O-N 3.39Å; F52-R54 VanDerWaalsContact C-N 3.29Å; F52-R54 PolarHBondContact O-N 3.37Å; F52-K55 CarbonylContact O-C 3.55Å; F52-K55 PolarHBondContact O-N 2.97Å; F52-K55 VanDerWaalsContact O-N 3.11Å; F52-K56 HydrophobicContact CE1-CD 4.44Å; F52-K56 HydrophobicContact CZ-CD 4.44Å; F52-K56 PolarHBondContact O-N 3.36Å |
| 53 | F | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67 | -29.9 | -178.8 | -87.9 | -72.1 | 0 | 0 | 0 | 112.8 | L49 K56 A57 Y120 I124 I125 F128 Y294 | L49-F53 WeakPolarHBondContact O-CD2 3.45Å; L49-F53 PolarHBondContact O-N 3.24Å; F53-K56 PolarHBondContact O-N 3.03Å; F53-A57 WeakPolarHBondContact O-CB 3.39Å; F53-A57 PolarHBondContact O-N 3.49Å; F53-Y120 AromaticContact CD1-CD1 3.94Å; F53-Y120 HydrophobicContact CD1-CD1 3.94Å; F53-Y120 HydrophobicContact CD1-CD2 4.11Å; F53-Y120 HydrophobicContact CD1-CE1 4.22Å; F53-Y120 HydrophobicContact CD1-CE2 4.4Å; F53-Y120 AromaticContact CD1-CG 3.87Å; F53-Y120 HydrophobicContact CD1-CG 3.87Å; F53-Y120 HydrophobicContact CE1-CD1 4.15Å; F53-Y120 HydrophobicContact CE1-CE1 4.04Å; F53-Y120 HydrophobicContact CE1-CG 4.49Å; F53-I124 HydrophobicContact CD1-CG2 4.35Å; F53-I124 HydrophobicContact CD2-CG2 4.11Å; F53-I124 HydrophobicContact CE1-CD1 4.45Å; F53-I124 HydrophobicContact CE2-CG2 4.26Å; F53-I124 HydrophobicContact CG-CG2 4.15Å; F53-I124 HydrophobicContact CZ-CG2 4.46Å; F53-I125 HydrophobicContact CB-CD1 4.17Å; F53-I125 HydrophobicContact CB-CG1 3.73Å; F53-F128 HydrophobicContact CD2-CD2 4.39Å; F53-F128 AromaticContact CD2-CE2 3.61Å; F53-F128 HydrophobicContact CD2-CE2 3.61Å; F53-F128 AromaticContact CE2-CE2 3.82Å; F53-F128 HydrophobicContact CE2-CE2 3.82Å; F53-F128 HydrophobicContact CE2-CZ 4.32Å; F53-Y294 AromaticContact CE1-CD2 3.4Å; F53-Y294 HydrophobicContact CE1-CD2 3.4Å; F53-Y294 VanDerWaalsContact CE1-CD2 3.4Å; F53-Y294 AromaticContact CE1-CE2 3.82Å; F53-Y294 HydrophobicContact CE1-CE2 3.82Å; F53-Y294 HydrophobicContact CE1-CG 4.02Å; F53-Y294 HydrophobicContact CZ-CD1 4.43Å; F53-Y294 AromaticContact CZ-CD2 3.63Å; F53-Y294 HydrophobicContact CZ-CD2 3.63Å; F53-Y294 HydrophobicContact CZ-CE2 4.09Å; F53-Y294 AromaticContact CZ-CG 3.78Å; F53-Y294 HydrophobicContact CZ-CG 3.78Å |
| 54 | R | 98.6 | Very high | 98.3 | Very high | 98 Ų | 98 | 60.4 Ų | 60.4 | 37% | 0.37 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 171.1 | -158.3 | 180 | -51.6 | 114 | 18 | 111 | Q50 D51 F52 A57 E58 L121 I125 | Q50-R54 WeakPolarHBondContact O-CB 3.28Å; Q50-R54 PolarHBondContact O-N 3.07Å; D51-R54 PolarHBondContact O-N 3.45Å; D51-R54 IonicContact OD1-CZ 2.87Å; D51-R54 IonicContact OD1-NH1 3.09Å; D51-R54 PolarHBondContact OD1-NH1 2.95Å; D51-R54 IonicContact OD1-NH2 3.14Å; D51-R54 PolarHBondContact OD1-NH2 2.83Å; F52-R54 VanDerWaalsContact C-N 3.29Å; F52-R54 PolarHBondContact O-N 3.37Å; R54-A57 PolarHBondContact O-N 3.5Å; R54-E58 WeakPolarHBondContact O-CG 2.96Å; R54-E58 PolarHBondContact O-N 2.67Å; R54-E58 VanDerWaalsContact O-N 3.11Å; R54-L121 HydrophobicContact CG-CD2 4.5Å; R54-I125 HydrophobicContact CB-CD1 3.86Å; R54-I125 HydrophobicContact CG-CD1 4.34Å |
| 55 | K | 98.7 | Very high | 98.4 | Very high | 103 Ų | 103 | 61.6 Ų | 61.6 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.7 | -37.6 | 176.9 | -169.8 | 59.8 | -108.5 | 171.6 | 0 | 112.4 | D51 F52 E58 I59 | D51-K55 WeakPolarHBondContact O-CB 3.22Å; D51-K55 PolarHBondContact O-N 2.9Å; F52-K55 CarbonylContact O-C 3.55Å; F52-K55 PolarHBondContact O-N 2.97Å; F52-K55 VanDerWaalsContact O-N 3.11Å; K55-E58 WeakPolarHBondContact CE-OE2 3.18Å; K55-E58 IonicContact NZ-OE2 2.8Å; K55-E58 PolarHBondContact NZ-OE2 3.07Å; K55-I59 HydrophobicContact CG-CD1 4.4Å; K55-I59 WeakPolarHBondContact O-CD1 3.42Å; K55-I59 WeakPolarHBondContact O-CG1 3.46Å; K55-I59 PolarHBondContact O-N 2.78Å |
| 56 | K | 98.4 | Very high | 98.4 | Very high | 40 Ų | 40 | 62 Ų | 62 | 17% | 0.174 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 172.8 | -158.1 | 180 | -170.8 | -74.5 | 0 | 110.4 | F52 F53 E58 I59 E60 Y120 Y294 E298 | F52-K56 HydrophobicContact CE1-CD 4.44Å; F52-K56 HydrophobicContact CZ-CD 4.44Å; F52-K56 PolarHBondContact O-N 3.36Å; F53-K56 PolarHBondContact O-N 3.03Å; K56-E58 VanDerWaalsContact C-N 3.34Å; K56-E58 PolarHBondContact O-N 2.65Å; K56-I59 WeakPolarHBondContact O-CA 3.27Å; K56-I59 WeakPolarHBondContact O-CB 3.04Å; K56-I59 PolarHBondContact O-N 3.12Å; K56-E60 HydrophobicContact CG-CG 4.45Å; K56-E60 IonicContact NZ-OE1 3.2Å; K56-E60 PolarHBondContact NZ-OE1 2.99Å; K56-E60 WeakPolarHBondContact O-CG 3.32Å; K56-E60 PolarHBondContact O-N 3.4Å; K56-Y120 HydrophobicContact CB-CD2 4.22Å; K56-Y120 HydrophobicContact CB-CE2 3.98Å; K56-Y120 HydrophobicContact CD-CE2 3.62Å; K56-Y120 HydrophobicContact CG-CD2 4.45Å; K56-Y120 HydrophobicContact CG-CE2 3.72Å; K56-Y120 PolarHBondContact NZ-OH 3.17Å; K56-Y294 HydrophobicContact CD-CE2 4.38Å; K56-E298 IonicContact NZ-OE1 3.74Å; K56-E298 PolarHBondContact NZ-OE1 2.88Å |
| 57 | A | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.7 | -43.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F53 R54 I59 E60 M61 S117 Y120 L121 | F53-A57 WeakPolarHBondContact O-CB 3.39Å; F53-A57 PolarHBondContact O-N 3.49Å; R54-A57 PolarHBondContact O-N 3.5Å; A57-I59 VanDerWaalsContact C-N 3.27Å; A57-I59 PolarHBondContact O-N 3.48Å; A57-E60 PolarHBondContact O-N 3.27Å; A57-M61 WeakPolarHBondContact O-CB 3.46Å; A57-M61 PolarHBondContact O-N 3.45Å; A57-S117 PolarHBondContact O-OG 2.98Å; A57-Y120 HydrophobicContact CB-CD2 4.02Å; A57-L121 HydrophobicContact CB-CD1 4.32Å; A57-L121 HydrophobicContact CB-CD2 3.93Å; A57-L121 HydrophobicContact CB-CG 3.8Å |
| 58 | E | 98.6 | Very high | 98.5 | Very high | 98 Ų | 98 | 61.3 Ų | 61.3 | 46% | 0.458 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.1 | -38.8 | 173.4 | -72.6 | 174.1 | -169 | 0 | 0 | 112.4 | R54 K55 K56 D62 | R54-E58 WeakPolarHBondContact O-CG 2.96Å; R54-E58 PolarHBondContact O-N 2.67Å; R54-E58 VanDerWaalsContact O-N 3.11Å; K55-E58 WeakPolarHBondContact CE-OE2 3.18Å; K55-E58 IonicContact NZ-OE2 2.8Å; K55-E58 PolarHBondContact NZ-OE2 3.07Å; K56-E58 VanDerWaalsContact C-N 3.34Å; K56-E58 PolarHBondContact O-N 2.65Å; E58-D62 WeakPolarHBondContact O-CB 3.23Å; E58-D62 PolarHBondContact O-N 3.47Å |
| 59 | I | 98.8 | Very high | 98.5 | Very high | 94 Ų | 94 | 62.8 Ų | 62.8 | 48% | 0.482 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -72.5 | -44.8 | 179 | -66.1 | 164.3 | 0 | 0 | 0 | 111.2 | K55 K56 A57 M61 D62 Y63 | K55-I59 HydrophobicContact CG-CD1 4.4Å; K55-I59 WeakPolarHBondContact O-CD1 3.42Å; K55-I59 WeakPolarHBondContact O-CG1 3.46Å; K55-I59 PolarHBondContact O-N 2.78Å; K56-I59 WeakPolarHBondContact O-CA 3.27Å; K56-I59 WeakPolarHBondContact O-CB 3.04Å; K56-I59 PolarHBondContact O-N 3.12Å; A57-I59 VanDerWaalsContact C-N 3.27Å; A57-I59 PolarHBondContact O-N 3.48Å; I59-M61 VanDerWaalsContact C-N 3.31Å; I59-M61 PolarHBondContact O-N 3.15Å; I59-D62 PolarHBondContact O-N 3.04Å; I59-Y63 WeakPolarHBondContact O-CB 3.46Å; I59-Y63 PolarHBondContact O-N 3.24Å |
| 60 | E | 98.4 | Very high | 98.4 | Very high | 19 Ų | 19 | 65 Ų | 65 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 176 | -58.2 | -51.1 | 153.5 | 0 | 0 | 111.2 | K56 A57 Y63 S64 H113 L116 Y120 | K56-E60 HydrophobicContact CG-CG 4.45Å; K56-E60 IonicContact NZ-OE1 3.2Å; K56-E60 PolarHBondContact NZ-OE1 2.99Å; K56-E60 WeakPolarHBondContact O-CG 3.32Å; K56-E60 PolarHBondContact O-N 3.4Å; A57-E60 PolarHBondContact O-N 3.27Å; E60-Y63 PolarHBondContact O-N 3.32Å; E60-S64 VanDerWaalsContact O-CB 3.26Å; E60-S64 WeakPolarHBondContact O-CB 3.45Å; E60-S64 PolarHBondContact O-N 3.37Å; E60-H113 IonicContact OE2-CE1 3.11Å; E60-H113 IonicContact OE2-CG 2.75Å; E60-H113 IonicContact OE2-ND1 2.72Å; E60-H113 PolarHBondContact OE2-ND1 3.47Å; E60-L116 HydrophobicContact CG-CD2 4.1Å; E60-L116 HydrophobicContact CG-CG 4.32Å; E60-Y120 HydrophobicContact CG-CD2 4.5Å; E60-Y120 HydrophobicContact CG-CE2 3.84Å |
| 61 | M | 98.5 | Very high | 98.3 | Very high | 50 Ų | 50 | 64 Ų | 64 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.4 | -32.5 | 177.3 | -174.2 | 56.5 | 60.3 | 0 | 0 | 112.5 | A57 I59 R65 A114 S117 | A57-M61 WeakPolarHBondContact O-CB 3.46Å; A57-M61 PolarHBondContact O-N 3.45Å; I59-M61 VanDerWaalsContact C-N 3.31Å; I59-M61 PolarHBondContact O-N 3.15Å; M61-R65 VanDerWaalsContact O-CB 3.31Å; M61-R65 WeakPolarHBondContact O-CB 3.29Å; M61-R65 WeakPolarHBondContact O-CG 3.43Å; M61-R65 PolarHBondContact O-N 3.47Å; M61-R65 VanDerWaalsContact O-N 3.12Å; M61-R65 PolarHBondContact O-NE 3.15Å; M61-R65 HydrophobicContact SD-CG 4.15Å; M61-A114 HydrophobicContact CE-CB 4.14Å; M61-S117 WeakPolarHBondContact CE-OG 3.37Å |
| 62 | D | 98.6 | Very high | 98 | Very high | 78 Ų | 78 | 65.9 Ų | 65.9 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69 | -41.2 | 171.2 | -87.6 | -7.2 | 0 | 0 | 0 | 112.2 | E58 I59 R65 N66 | E58-D62 WeakPolarHBondContact O-CB 3.23Å; E58-D62 PolarHBondContact O-N 3.47Å; I59-D62 PolarHBondContact O-N 3.04Å; D62-R65 IonicContact OD1-CZ 2.85Å; D62-R65 IonicContact OD1-NE 2.94Å; D62-R65 IonicContact OD1-NH2 2.69Å; D62-R65 PolarHBondContact OD1-NH2 3.35Å; D62-N66 PolarHBondContact O-N 2.92Å; D62-N66 PolarHBondContact O-ND2 3.18Å |
| 63 | Y | 98.8 | Very high | 97.8 | Very high | 107 Ų | 107 | 68.3 Ų | 68.3 | 42% | 0.42 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.2 | -52.3 | 177.2 | -175.3 | -120.1 | 0 | 0 | 0 | 111.4 | I59 E60 R65 N66 L67 H113 | I59-Y63 WeakPolarHBondContact O-CB 3.46Å; I59-Y63 PolarHBondContact O-N 3.24Å; E60-Y63 PolarHBondContact O-N 3.32Å; Y63-R65 PolarHBondContact O-N 2.67Å; Y63-N66 WeakPolarHBondContact O-CA 3.46Å; Y63-N66 WeakPolarHBondContact O-CB 3.25Å; Y63-N66 PolarHBondContact O-N 3.03Å; Y63-L67 HydrophobicContact CD1-CD1 4.06Å; Y63-L67 HydrophobicContact CD1-CG 4.5Å; Y63-L67 HydrophobicContact CE1-CD1 3.57Å; Y63-L67 HydrophobicContact CE1-CG 4.17Å; Y63-L67 HydrophobicContact CE2-CD2 4.1Å; Y63-L67 HydrophobicContact CE2-CG 4.26Å; Y63-L67 PolarHBondContact O-N 3.04Å; Y63-H113 HydrophobicContact CD1-CB 4.43Å; Y63-H113 AromaticContact CD1-CD2 3.68Å; Y63-H113 AromaticContact CD1-CE1 3.89Å; Y63-H113 AromaticContact CD1-CG 3.76Å; Y63-H113 AromaticContact CD1-ND1 3.87Å; Y63-H113 AromaticContact CD1-NE2 3.77Å; Y63-H113 AromaticContact CE1-CD2 3.67Å; Y63-H113 AromaticContact CE1-CE1 3.94Å; Y63-H113 AromaticContact CE1-NE2 3.48Å; Y63-H113 WeakPolarHBondContact CE1-NE2 3.5Å |
| 64 | S | 98.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 71 Ų | 71 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -46.7 | -54.9 | 171.5 | 165.6 | 0 | 0 | 0 | 0 | 112.2 | E60 N66 L67 E68 S110 | E60-S64 VanDerWaalsContact O-CB 3.26Å; E60-S64 WeakPolarHBondContact O-CB 3.45Å; E60-S64 PolarHBondContact O-N 3.37Å; S64-N66 PolarHBondContact O-N 2.9Å; S64-L67 PolarHBondContact O-N 3.19Å; S64-L67 VanDerWaalsContact O-N 3.15Å; S64-E68 PolarHBondContact O-N 3.47Å; S64-S110 VanDerWaalsContact CB-O 3.24Å; S64-S110 WeakPolarHBondContact CB-O 3.29Å; S64-S110 PolarHBondContact OG-O 3.32Å |
| 65 | R | 98.6 | Very high | 96.8 | Very high | 128 Ų | 128 | 68.5 Ų | 68.5 | 48% | 0.483 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.5 | -13 | -179.7 | -69.8 | -175.6 | -51.6 | 164.2 | 0.1 | 113.6 | M61 D62 Y63 K69 | M61-R65 VanDerWaalsContact O-CB 3.31Å; M61-R65 WeakPolarHBondContact O-CB 3.29Å; M61-R65 WeakPolarHBondContact O-CG 3.43Å; M61-R65 PolarHBondContact O-N 3.47Å; M61-R65 VanDerWaalsContact O-N 3.12Å; M61-R65 PolarHBondContact O-NE 3.15Å; M61-R65 HydrophobicContact SD-CG 4.15Å; D62-R65 IonicContact OD1-CZ 2.85Å; D62-R65 IonicContact OD1-NE 2.94Å; D62-R65 IonicContact OD1-NH2 2.69Å; D62-R65 PolarHBondContact OD1-NH2 3.35Å; Y63-R65 PolarHBondContact O-N 2.67Å; R65-K69 WeakPolarHBondContact O-CD 3.46Å; R65-K69 WeakPolarHBondContact O-CE 3.32Å; R65-K69 WeakPolarHBondContact O-CG 3.44Å; R65-K69 PolarHBondContact O-NZ 3.29Å |
| 66 | N | 98.6 | Very high | 95.9 | Very high | 89 Ų | 89 | 67.7 Ų | 67.7 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -94.1 | -35.9 | 174.1 | -68.6 | -28.3 | 0 | 0 | 0 | 111.9 | D62 Y63 S64 K69 L70 | D62-N66 PolarHBondContact O-N 2.92Å; D62-N66 PolarHBondContact O-ND2 3.18Å; Y63-N66 WeakPolarHBondContact O-CA 3.46Å; Y63-N66 WeakPolarHBondContact O-CB 3.25Å; Y63-N66 PolarHBondContact O-N 3.03Å; S64-N66 PolarHBondContact O-N 2.9Å; N66-K69 PolarHBondContact OD1-NZ 3.5Å; N66-L70 WeakPolarHBondContact O-CB 3.43Å; N66-L70 PolarHBondContact O-N 3.14Å; N66-L70 VanDerWaalsContact O-N 3.07Å |
| 67 | L | 98.4 | Very high | 95 | Very high | 15 Ų | 15 | 70.3 Ų | 70.3 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 169.1 | -65.1 | -176.7 | 0 | 0 | 0 | 111.9 | Y63 S64 K69 L70 A71 V106 E109 | Y63-L67 HydrophobicContact CD1-CD1 4.06Å; Y63-L67 HydrophobicContact CD1-CG 4.5Å; Y63-L67 HydrophobicContact CE1-CD1 3.57Å; Y63-L67 HydrophobicContact CE1-CG 4.17Å; Y63-L67 HydrophobicContact CE2-CD2 4.1Å; Y63-L67 HydrophobicContact CE2-CG 4.26Å; Y63-L67 PolarHBondContact O-N 3.04Å; S64-L67 PolarHBondContact O-N 3.19Å; S64-L67 VanDerWaalsContact O-N 3.15Å; L67-K69 PolarHBondContact O-N 3.15Å; L67-L70 WeakPolarHBondContact O-CB 3.25Å; L67-L70 PolarHBondContact O-N 2.92Å; L67-L70 VanDerWaalsContact O-N 3.09Å; L67-A71 PolarHBondContact O-N 2.85Å; L67-V106 HydrophobicContact CB-CG1 3.99Å; L67-V106 HydrophobicContact CD2-CG1 4.22Å; L67-V106 WeakPolarHBondContact O-CG1 3.5Å; L67-E109 HydrophobicContact CD1-CB 3.69Å |
| 68 | E | 97.7 | Very high | 93.5 | Very high | 45 Ų | 45 | 72.1 Ų | 72.1 | 21% | 0.21 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.5 | -49.2 | 179.3 | -167.7 | 61.8 | -169.6 | 0 | 0 | 111.7 | S64 L70 A71 E72 K107 S110 | S64-E68 PolarHBondContact O-N 3.47Å; E68-L70 VanDerWaalsContact C-N 3.25Å; E68-L70 PolarHBondContact O-N 3.07Å; E68-A71 PolarHBondContact O-N 3.41Å; E68-E72 WeakPolarHBondContact O-CB 3.42Å; E68-E72 WeakPolarHBondContact O-CG 3.44Å; E68-E72 PolarHBondContact O-N 3.24Å; E68-K107 WeakPolarHBondContact OE1-CE 3.3Å; E68-K107 IonicContact OE1-NZ 3.48Å; E68-K107 PolarHBondContact OE1-NZ 2.9Å; E68-K107 VanDerWaalsContact OE2-CE 3.29Å; E68-K107 WeakPolarHBondContact OE2-CE 3.35Å; E68-K107 IonicContact OE2-NZ 2.71Å; E68-S110 WeakPolarHBondContact CB-OG 2.84Å; E68-S110 WeakPolarHBondContact OE2-CB 3.37Å; E68-S110 PolarHBondContact OE2-OG 3.46Å |
| 69 | K | 97.6 | Very high | 91.8 | Very high | 113 Ų | 113 | 76.3 Ų | 76.3 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.9 | -35.2 | 175.7 | -66.5 | 168 | -158.5 | 134.3 | 0 | 112.1 | R65 N66 L67 R73 | R65-K69 WeakPolarHBondContact O-CD 3.46Å; R65-K69 WeakPolarHBondContact O-CE 3.32Å; R65-K69 WeakPolarHBondContact O-CG 3.44Å; R65-K69 PolarHBondContact O-NZ 3.29Å; N66-K69 PolarHBondContact OD1-NZ 3.5Å; L67-K69 PolarHBondContact O-N 3.15Å; K69-R73 WeakPolarHBondContact O-CB 3.12Å; K69-R73 PolarHBondContact O-N 3.19Å; K69-R73 VanDerWaalsContact O-N 3.07Å |
| 70 | L | 97.5 | Very high | 89.5 | Confident | 80 Ų | 80 | 75.3 Ų | 75.3 | 42% | 0.419 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.3 | -52.1 | 177.2 | 177.4 | 62.1 | 0 | 0 | 0 | 110.3 | N66 L67 E68 R73 F74 V106 | N66-L70 WeakPolarHBondContact O-CB 3.43Å; N66-L70 PolarHBondContact O-N 3.14Å; N66-L70 VanDerWaalsContact O-N 3.07Å; L67-L70 WeakPolarHBondContact O-CB 3.25Å; L67-L70 PolarHBondContact O-N 2.92Å; L67-L70 VanDerWaalsContact O-N 3.09Å; E68-L70 VanDerWaalsContact C-N 3.25Å; E68-L70 PolarHBondContact O-N 3.07Å; L70-R73 PolarHBondContact O-N 3.05Å; L70-F74 HydrophobicContact CD1-CD2 4.3Å; L70-F74 HydrophobicContact CD1-CE2 3.89Å; L70-F74 WeakPolarHBondContact O-CD2 3.37Å; L70-V106 HydrophobicContact CB-CG1 4.45Å; L70-V106 HydrophobicContact CD2-CG1 4.24Å; L70-V106 HydrophobicContact CG-CG1 4.47Å |
| 71 | A | 95.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.9 | -47 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L67 E68 R73 F74 L75 V106 K107 | L67-A71 PolarHBondContact O-N 2.85Å; E68-A71 PolarHBondContact O-N 3.41Å; A71-R73 VanDerWaalsContact C-N 3.31Å; A71-R73 PolarHBondContact O-N 3.2Å; A71-F74 PolarHBondContact O-N 3.46Å; A71-F74 VanDerWaalsContact O-N 3.13Å; A71-L75 HydrophobicContact CB-CD1 4.39Å; A71-L75 WeakPolarHBondContact O-CB 3.44Å; A71-L75 WeakPolarHBondContact O-CG 3.41Å; A71-L75 PolarHBondContact O-N 2.93Å; A71-V106 HydrophobicContact CB-CB 4.4Å; A71-V106 HydrophobicContact CB-CG1 3.99Å; A71-K107 HydrophobicContact CB-CD 4.14Å; A71-K107 HydrophobicContact CB-CG 3.43Å; A71-K107 VanDerWaalsContact CB-CG 3.43Å |
| 72 | E | 93.2 | Very high | 84.9 | Confident | 101 Ų | 101 | 79.9 Ų | 79.9 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.1 | -42.2 | 177.4 | -74.8 | -166.6 | 137.9 | 0 | 0 | 112.4 | E68 F74 L75 T76 | E68-E72 WeakPolarHBondContact O-CB 3.42Å; E68-E72 WeakPolarHBondContact O-CG 3.44Å; E68-E72 PolarHBondContact O-N 3.24Å; E72-F74 PolarHBondContact O-N 2.67Å; E72-F74 VanDerWaalsContact O-N 3.14Å; E72-L75 PolarHBondContact O-N 3.27Å; E72-T76 WeakPolarHBondContact O-CB 3.31Å; E72-T76 VanDerWaalsContact O-CG2 3.3Å; E72-T76 WeakPolarHBondContact O-CG2 3.33Å; E72-T76 PolarHBondContact O-N 2.98Å; E72-T76 PolarHBondContact O-OG1 3.34Å |
| 73 | R | 94 | Very high | 82.2 | Confident | 163 Ų | 163 | 83 Ų | 83 | 62% | 0.615 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.9 | -19.9 | 179.7 | -176.6 | 179 | -174.1 | -144.5 | 3.6 | 113.8 | K69 L70 A71 K77 | K69-R73 WeakPolarHBondContact O-CB 3.12Å; K69-R73 PolarHBondContact O-N 3.19Å; K69-R73 VanDerWaalsContact O-N 3.07Å; L70-R73 PolarHBondContact O-N 3.05Å; A71-R73 VanDerWaalsContact C-N 3.31Å; A71-R73 PolarHBondContact O-N 3.2Å; R73-K77 VanDerWaalsContact O-CD 3.28Å; R73-K77 WeakPolarHBondContact O-CD 3.38Å; R73-K77 WeakPolarHBondContact O-CE 3.22Å; R73-K77 WeakPolarHBondContact O-CG 3.47Å |
| 74 | F | 91.3 | Very high | 79.6 | Confident | 60 Ų | 60 | 86.2 Ų | 86.2 | 26% | 0.263 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -102.9 | -40.9 | 174.4 | -72.7 | -74.3 | 0 | 0 | 0 | 112.6 | L70 A71 E72 T76 K77 T78 W99 L103 | L70-F74 HydrophobicContact CD1-CD2 4.3Å; L70-F74 HydrophobicContact CD1-CE2 3.89Å; L70-F74 WeakPolarHBondContact O-CD2 3.37Å; A71-F74 PolarHBondContact O-N 3.46Å; A71-F74 VanDerWaalsContact O-N 3.13Å; E72-F74 PolarHBondContact O-N 2.67Å; E72-F74 VanDerWaalsContact O-N 3.14Å; F74-T76 VanDerWaalsContact C-N 3.31Å; F74-T76 PolarHBondContact O-N 3.37Å; F74-K77 HydrophobicContact CD1-CD 4.25Å; F74-K77 PolarHBondContact O-N 3.46Å; F74-T78 PolarHBondContact O-N 3.49Å; F74-T78 PolarHBondContact O-OG1 2.92Å; F74-T78 VanDerWaalsContact O-OG1 3.09Å; F74-W99 HydrophobicContact CB-CZ2 3.92Å; F74-W99 HydrophobicContact CD1-CH2 4.09Å; F74-W99 AromaticContact CD1-CZ2 3.73Å; F74-W99 HydrophobicContact CD1-CZ2 3.73Å; F74-W99 HydrophobicContact CD2-CH2 4.5Å; F74-W99 HydrophobicContact CE1-CH2 4.38Å; F74-W99 HydrophobicContact CE1-CZ2 4.39Å; F74-W99 HydrophobicContact CG-CH2 4.16Å; F74-W99 AromaticContact CG-CZ2 3.85Å; F74-W99 HydrophobicContact CG-CZ2 3.85Å; F74-L103 HydrophobicContact CB-CD1 3.87Å; F74-L103 HydrophobicContact CB-CD2 3.78Å; F74-L103 HydrophobicContact CD2-CD2 4.39Å; F74-L103 HydrophobicContact CG-CD2 4.39Å |
| 75 | L | 84.8 | Confident | 77.1 | Confident | 47 Ų | 47 | 92.5 Ų | 92.5 | 25% | 0.246 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 175.1 | -72.8 | 167.4 | 0 | 0 | 0 | 112.7 | A71 E72 T78 R79 L103 K107 | A71-L75 HydrophobicContact CB-CD1 4.39Å; A71-L75 WeakPolarHBondContact O-CB 3.44Å; A71-L75 WeakPolarHBondContact O-CG 3.41Å; A71-L75 PolarHBondContact O-N 2.93Å; E72-L75 PolarHBondContact O-N 3.27Å; L75-T78 PolarHBondContact O-N 3.41Å; L75-R79 WeakPolarHBondContact O-CG 3.37Å; L75-R79 PolarHBondContact O-N 2.85Å; L75-R79 VanDerWaalsContact O-N 3.09Å; L75-L103 HydrophobicContact CD2-CD1 4.22Å; L75-L103 HydrophobicContact CG-CD1 4.3Å; L75-K107 HydrophobicContact CD1-CD 3.73Å; L75-K107 HydrophobicContact CD1-CG 4.38Å |
| 76 | T | 79.8 | Confident | 74.3 | Confident | 85 Ų | 85 | 90.8 Ų | 90.8 | 52% | 0.521 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 177.1 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | E72 F74 R79 S80 | E72-T76 WeakPolarHBondContact O-CB 3.31Å; E72-T76 VanDerWaalsContact O-CG2 3.3Å; E72-T76 WeakPolarHBondContact O-CG2 3.33Å; E72-T76 PolarHBondContact O-N 2.98Å; E72-T76 PolarHBondContact O-OG1 3.34Å; F74-T76 VanDerWaalsContact C-N 3.31Å; F74-T76 PolarHBondContact O-N 3.37Å; T76-R79 PolarHBondContact O-N 3.16Å; T76-S80 PolarHBondContact O-N 3.09Å |
| 77 | K | 78.7 | Confident | 71.4 | Confident | 96 Ų | 96 | 96.9 Ų | 96.9 | 42% | 0.417 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.7 | -51.2 | 174.1 | -65.8 | 172.1 | -173.1 | 165.7 | 0 | 110.9 | R73 F74 R79 S80 T81 | R73-K77 VanDerWaalsContact O-CD 3.28Å; R73-K77 WeakPolarHBondContact O-CD 3.38Å; R73-K77 WeakPolarHBondContact O-CE 3.22Å; R73-K77 WeakPolarHBondContact O-CG 3.47Å; F74-K77 HydrophobicContact CD1-CD 4.25Å; F74-K77 PolarHBondContact O-N 3.46Å; K77-R79 PolarHBondContact O-N 3.05Å; K77-S80 PolarHBondContact O-N 2.95Å; K77-S80 PolarHBondContact O-OG 3.1Å; K77-T81 PolarHBondContact O-N 2.93Å; K77-T81 PolarHBondContact O-OG1 3Å |
| 78 | T | 67.4 | Low | 68.7 | Low | 38 Ų | 38 | 104.6 Ų | 104.6 | 23% | 0.233 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -59.6 | -29.1 | -179.6 | -56.2 | 0 | 0 | 0 | 0 | 112.5 | F74 L75 K82 | F74-T78 PolarHBondContact O-N 3.49Å; F74-T78 PolarHBondContact O-OG1 2.92Å; F74-T78 VanDerWaalsContact O-OG1 3.09Å; L75-T78 PolarHBondContact O-N 3.41Å; T78-K82 WeakPolarHBondContact O-CD 3.33Å; T78-K82 VanDerWaalsContact O-CG 3.29Å; T78-K82 WeakPolarHBondContact O-CG 3.26Å |
| 79 | R | 62.3 | Low | 66.4 | Low | 186 Ų | 186 | 110.4 Ų | 110.4 | 70% | 0.702 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -76.1 | -45.9 | 171.2 | -71.4 | -179.3 | -178.7 | -139.3 | -0.6 | 112.5 | L75 T76 K77 T81 K82 | L75-R79 WeakPolarHBondContact O-CG 3.37Å; L75-R79 PolarHBondContact O-N 2.85Å; L75-R79 VanDerWaalsContact O-N 3.09Å; T76-R79 PolarHBondContact O-N 3.16Å; K77-R79 PolarHBondContact O-N 3.05Å; R79-T81 PolarHBondContact O-N 3.36Å; R79-T81 VanDerWaalsContact O-N 3.12Å; R79-K82 WeakPolarHBondContact O-CB 3.43Å; R79-K82 PolarHBondContact O-N 3.26Å |
| 80 | S | 52.3 | Low | 64.3 | Low | 73 Ų | 73 | 108.8 Ų | 108.8 | 51% | 0.51 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.7 | -28.1 | -177.6 | 68.7 | 0 | 0 | 0 | 0 | 114.6 | T76 K77 | T76-S80 PolarHBondContact O-N 3.09Å; K77-S80 PolarHBondContact O-N 2.95Å; K77-S80 PolarHBondContact O-OG 3.1Å |
| 81 | T | 51.7 | Low | 62.6 | Low | 98 Ų | 98 | 108.8 Ų | 108.8 | 60% | 0.601 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -22.8 | 175.2 | -38.3 | 0 | 0 | 0 | 0 | 113.1 | K77 R79 | K77-T81 PolarHBondContact O-N 2.93Å; K77-T81 PolarHBondContact O-OG1 3Å; R79-T81 PolarHBondContact O-N 3.36Å; R79-T81 VanDerWaalsContact O-N 3.12Å |
| 82 | K | 48.5 | Very low | 61.4 | Low | 68 Ų | 68 | 112.4 Ų | 112.4 | 30% | 0.296 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -77.8 | -31.4 | -174.8 | -74 | 172.5 | 179 | -168.9 | 0 | 113.1 | T78 R79 H84 L85 | T78-K82 WeakPolarHBondContact O-CD 3.33Å; T78-K82 VanDerWaalsContact O-CG 3.29Å; T78-K82 WeakPolarHBondContact O-CG 3.26Å; R79-K82 WeakPolarHBondContact O-CB 3.43Å; R79-K82 PolarHBondContact O-N 3.26Å; K82-H84 PolarHBondContact O-N 3.25Å; K82-L85 PolarHBondContact O-N 3.06Å |
| 83 | D | 40.9 | Very low | 61.1 | Low | 144 Ų | 144 | 109.9 Ų | 109.9 | 77% | 0.77 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -60.4 | -18.9 | -177.4 | -70.1 | -28.1 | 0 | 0 | 0 | 114.2 | ||
| 84 | H | 44.6 | Very low | 61.1 | Low | 174 Ų | 174 | 102.8 Ų | 102.8 | 81% | 0.806 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -94.8 | -6.9 | -178.7 | -81.5 | -56.3 | 0 | 0 | 0 | 115.7 | K82 | K82-H84 PolarHBondContact O-N 3.25Š|
| 85 | L | 45.5 | Very low | 61.2 | Low | 139 Ų | 139 | 103.4 Ų | 103.4 | 73% | 0.728 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.8 | -27.1 | -165.7 | -98.8 | 161.5 | 0 | 0 | 0 | 117.6 | K82 | K82-L85 PolarHBondContact O-N 3.06Š|
| 86 | L | 40.1 | Very low | 61.4 | Low | 92 Ų | 92 | 104.4 Ų | 104.4 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | trans | -122.7 | 107.6 | -165.2 | -73.1 | 168.1 | 0 | 0 | 0 | 114.8 | Q90 | L86-Q90 HydrophobicContact CD1-CB 4.35Å; L86-Q90 HydrophobicContact CD1-CG 3.95Å | ||
| 87 | K | 38.3 | Very low | 61.9 | Low | 217 Ų | 217 | 103.3 Ų | 103.3 | 94% | 0.943 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -115.2 | 17.8 | 166.4 | -113.7 | -171.2 | -179.1 | -172.9 | 0 | 113 | ||
| 88 | K | 41.8 | Very low | 62.6 | Low | 177 Ų | 177 | 99.6 Ų | 99.6 | 77% | 0.77 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -136.4 | 164.4 | 172.2 | -81.9 | -163.4 | 166.4 | -162.1 | 0 | 109 | ||
| 89 | E | 48.8 | Very low | 63.9 | Low | 168 Ų | 168 | 102.3 Ų | 102.3 | 79% | 0.785 | 51% | 0.513 | S | S | * | . | trans | -51.1 | 145.4 | -176 | -73.9 | 92.3 | 155.7 | 0 | 0 | 113.5 | T91 | E89-T91 PolarHBondContact O-N 3.28Š| ||
| 90 | Q | 54.2 | Low | 65.3 | Low | 79 Ų | 79 | 94.9 Ų | 94.9 | 37% | 0.369 | 49% | 0.487 | S | S | . | . | trans | -105.8 | 78.9 | -167.1 | -178.4 | 165.1 | 94.4 | 0 | 0 | 109.3 | L86 I92 | L86-Q90 HydrophobicContact CD1-CB 4.35Å; L86-Q90 HydrophobicContact CD1-CG 3.95Å; Q90-I92 VanDerWaalsContact O-CG1 3.26Å; Q90-I92 WeakPolarHBondContact O-CG1 3.31Å; Q90-I92 PolarHBondContact O-N 3.25Å | ||
| 91 | T | 60.4 | Low | 67.3 | Low | 80 Ų | 80 | 93.2 Ų | 93.2 | 49% | 0.491 | 47% | 0.472 | S | S | . | . | trans | -54.4 | 110.1 | 174.9 | -36.8 | 0 | 0 | 0 | 0 | 109.5 | E89 K327 | E89-T91 PolarHBondContact O-N 3.28Å; T91-K327 HydrophobicContact CG2-CB 3.87Å; T91-K327 HydrophobicContact CG2-CD 4.29Å; T91-K327 HydrophobicContact CG2-CG 3.95Å | ||
| 92 | I | 71.9 | Confident | 69.4 | Low | 75 Ų | 75 | 92 Ų | 92 | 39% | 0.385 | 46% | 0.462 | S | S | . | . | trans | -87 | 117.7 | -177.1 | -52.7 | -173 | 0 | 0 | 0 | 108.1 | Q90 V96 N97 | Q90-I92 VanDerWaalsContact O-CG1 3.26Å; Q90-I92 WeakPolarHBondContact O-CG1 3.31Å; Q90-I92 PolarHBondContact O-N 3.25Å; I92-V96 HydrophobicContact CG2-CB 3.86Å; I92-V96 HydrophobicContact CG2-CG1 3.99Å; I92-N97 HydrophobicContact CG2-CB 4.14Å | ||
| 93 | S | 86.5 | Confident | 71.6 | Confident | 48 Ų | 48 | 89.1 Ų | 89.1 | 34% | 0.336 | 45% | 0.45 | S | S | . | . | trans | -70 | 144.6 | 172 | 153.1 | 0 | 0 | 0 | 0 | 110.5 | P95 V96 N97 D324 | S93-P95 VanDerWaalsContact OG-CD 3.27Å; S93-P95 WeakPolarHBondContact OG-CD 3.26Å; S93-V96 WeakPolarHBondContact O-CA 3.49Å; S93-V96 VanDerWaalsContact O-CB 3.27Å; S93-V96 WeakPolarHBondContact O-CB 3.1Å; S93-V96 PolarHBondContact O-N 3.5Å; S93-N97 PolarHBondContact O-N 3.26Å; S93-D324 VanDerWaalsContact CA-OD1 3.3Å; S93-D324 WeakPolarHBondContact CA-OD1 3.18Å; S93-D324 WeakPolarHBondContact CB-OD2 3.38Å; S93-D324 VanDerWaalsContact OG-CG 3.27Å; S93-D324 PolarHBondContact OG-OD2 3.01Å | ||
| 94 | S | 92.4 | Very high | 74.1 | Confident | 14 Ų | 14 | 87 Ų | 87 | 10% | 0.098 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -51.1 | -43.6 | -169.5 | 58.7 | 0 | 0 | 0 | 0 | 115.4 | V96 N97 C98 E320 D324 | S94-V96 VanDerWaalsContact C-N 3.28Å; S94-V96 PolarHBondContact O-N 2.87Å; S94-N97 WeakPolarHBondContact O-CA 3.36Å; S94-N97 VanDerWaalsContact O-CB 3.29Å; S94-N97 WeakPolarHBondContact O-CB 3.21Å; S94-N97 PolarHBondContact O-N 2.99Å; S94-C98 PolarHBondContact O-N 3.45Å; S94-C98 VanDerWaalsContact O-N 3.08Å; S94-C98 PolarHBondContact O-SG 3.23Å; S94-E320 PolarHBondContact OG-N 3.03Å; S94-D324 VanDerWaalsContact N-CG 3.31Å; S94-D324 PolarHBondContact N-OD1 3.24Å; S94-D324 PolarHBondContact N-OD2 3.4Å; S94-D324 PolarHBondContact OG-OD2 3.46Å |
| 95 | P | 93.5 | Very high | 76.7 | Confident | 73 Ų | 73 | 79 Ų | 79 | 47% | 0.474 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69 | -26 | 175.8 | -15.5 | 31.5 | 0 | 0 | 0 | 113 | S93 N97 W99 L319 D324 | S93-P95 VanDerWaalsContact OG-CD 3.27Å; S93-P95 WeakPolarHBondContact OG-CD 3.26Å; P95-N97 VanDerWaalsContact C-N 3.33Å; P95-W99 WeakPolarHBondContact O-CB 3.39Å; P95-W99 PolarHBondContact O-N 2.96Å; P95-L319 HydrophobicContact CB-CD2 4.28Å; P95-L319 HydrophobicContact CG-CD2 3.93Å; P95-D324 WeakPolarHBondContact CD-OD2 3.45Å |
| 96 | V | 89.7 | Confident | 79.2 | Confident | 68 Ų | 68 | 73.5 Ų | 73.5 | 41% | 0.412 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -73.2 | -30.1 | 173.6 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | I92 S93 S94 N100 | I92-V96 HydrophobicContact CG2-CB 3.86Å; I92-V96 HydrophobicContact CG2-CG1 3.99Å; S93-V96 WeakPolarHBondContact O-CA 3.49Å; S93-V96 VanDerWaalsContact O-CB 3.27Å; S93-V96 WeakPolarHBondContact O-CB 3.1Å; S93-V96 PolarHBondContact O-N 3.5Å; S94-V96 VanDerWaalsContact C-N 3.28Å; S94-V96 PolarHBondContact O-N 2.87Å; V96-N100 PolarHBondContact O-N 3.41Å; V96-N100 PolarHBondContact O-ND2 2.94Å |
| 97 | N | 90.2 | Very high | 81.9 | Confident | 62 Ų | 62 | 71.5 Ų | 71.5 | 33% | 0.332 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.4 | -51.7 | 170 | -169 | 46.7 | 0 | 0 | 0 | 111 | I92 S93 S94 P95 W99 N100 L101 | I92-N97 HydrophobicContact CG2-CB 4.14Å; S93-N97 PolarHBondContact O-N 3.26Å; S94-N97 WeakPolarHBondContact O-CA 3.36Å; S94-N97 VanDerWaalsContact O-CB 3.29Å; S94-N97 WeakPolarHBondContact O-CB 3.21Å; S94-N97 PolarHBondContact O-N 2.99Å; P95-N97 VanDerWaalsContact C-N 3.33Å; N97-W99 VanDerWaalsContact C-N 3.29Å; N97-W99 PolarHBondContact O-N 3.1Å; N97-N100 WeakPolarHBondContact O-CB 3.42Å; N97-N100 PolarHBondContact O-N 2.81Å; N97-L101 PolarHBondContact O-N 3.39Å |
| 98 | C | 94.4 | Very high | 84.7 | Confident | 19 Ų | 19 | 64.2 Ų | 64.2 | 13% | 0.128 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.2 | -43.7 | 175.9 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | S94 N100 L101 L102 L312 A315 | S94-C98 PolarHBondContact O-N 3.45Å; S94-C98 VanDerWaalsContact O-N 3.08Å; S94-C98 PolarHBondContact O-SG 3.23Å; C98-N100 PolarHBondContact O-N 2.86Å; C98-L101 PolarHBondContact O-N 3.25Å; C98-L102 WeakPolarHBondContact O-CB 3.38Å; C98-L102 PolarHBondContact O-N 3.25Å; C98-L312 HydrophobicContact CB-CD1 4.42Å; C98-L312 WeakPolarHBondContact O-CD1 3.35Å; C98-A315 PolarHBondContact SG-O 3.4Å |
| 99 | W | 93.6 | Very high | 87.4 | Confident | 95 Ų | 95 | 57.2 Ų | 57.2 | 36% | 0.36 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 175.1 | 175.7 | -110.7 | 0 | 0 | 0 | 113.4 | F74 P95 N97 L102 L103 | F74-W99 HydrophobicContact CB-CZ2 3.92Å; F74-W99 HydrophobicContact CD1-CH2 4.09Å; F74-W99 AromaticContact CD1-CZ2 3.73Å; F74-W99 HydrophobicContact CD1-CZ2 3.73Å; F74-W99 HydrophobicContact CD2-CH2 4.5Å; F74-W99 HydrophobicContact CE1-CH2 4.38Å; F74-W99 HydrophobicContact CE1-CZ2 4.39Å; F74-W99 HydrophobicContact CG-CH2 4.16Å; F74-W99 AromaticContact CG-CZ2 3.85Å; F74-W99 HydrophobicContact CG-CZ2 3.85Å; P95-W99 WeakPolarHBondContact O-CB 3.39Å; P95-W99 PolarHBondContact O-N 2.96Å; N97-W99 VanDerWaalsContact C-N 3.29Å; N97-W99 PolarHBondContact O-N 3.1Å; W99-L102 HydrophobicContact CE3-CD2 4.17Å; W99-L102 HydrophobicContact CZ3-CD2 4.19Å; W99-L103 HydrophobicContact CD2-CD1 4.41Å; W99-L103 HydrophobicContact CH2-CD2 4.26Å; W99-L103 HydrophobicContact CZ2-CD1 3.94Å; W99-L103 HydrophobicContact CZ2-CD2 4.15Å; W99-L103 HydrophobicContact CZ2-CG 4.24Å; W99-L103 WeakPolarHBondContact O-CG 3.36Å; W99-L103 PolarHBondContact O-N 3.33Å; W99-L103 VanDerWaalsContact O-N 3.16Å |
| 100 | N | 91.2 | Very high | 89.7 | Confident | 30 Ų | 30 | 49.4 Ų | 49.4 | 16% | 0.16 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.3 | -41 | 175.7 | -69.3 | -36.8 | 0 | 0 | 0 | 111.4 | V96 N97 C98 L103 L104 | V96-N100 PolarHBondContact O-N 3.41Å; V96-N100 PolarHBondContact O-ND2 2.94Å; N97-N100 WeakPolarHBondContact O-CB 3.42Å; N97-N100 PolarHBondContact O-N 2.81Å; C98-N100 PolarHBondContact O-N 2.86Å; N100-L103 PolarHBondContact O-N 3.3Å; N100-L104 VanDerWaalsContact O-CG 3.3Å; N100-L104 WeakPolarHBondContact O-CG 3.27Å; N100-L104 PolarHBondContact O-N 3.29Å |
| 101 | L | 94.3 | Very high | 91.8 | Very high | 37 Ų | 37 | 52.5 Ų | 52.5 | 19% | 0.194 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 178.4 | -71.5 | 170.2 | 0 | 0 | 0 | 112 | N97 C98 L103 L104 Q105 T311 L312 A315 | N97-L101 PolarHBondContact O-N 3.39Å; C98-L101 PolarHBondContact O-N 3.25Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.09Å; L101-L104 HydrophobicContact CD2-CD1 4.33Å; L101-L104 CarbonylContact O-C 3.59Å; L101-L104 WeakPolarHBondContact O-CA 3.32Å; L101-L104 WeakPolarHBondContact O-CB 3.37Å; L101-L104 PolarHBondContact O-N 3.48Å; L101-L104 VanDerWaalsContact O-N 3.08Å; L101-Q105 PolarHBondContact O-N 3.44Å; L101-T311 HydrophobicContact CD2-CG2 4.08Å; L101-L312 HydrophobicContact CB-CD1 4Å; L101-A315 HydrophobicContact CD1-CB 3.37Å |
| 102 | L | 96.6 | Very high | 93.7 | Very high | 74 Ų | 74 | 50.1 Ų | 50.1 | 39% | 0.387 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 172.1 | 177.7 | 62.7 | 0 | 0 | 0 | 112 | C98 W99 L104 Q105 V106 L312 | C98-L102 WeakPolarHBondContact O-CB 3.38Å; C98-L102 PolarHBondContact O-N 3.25Å; W99-L102 HydrophobicContact CE3-CD2 4.17Å; W99-L102 HydrophobicContact CZ3-CD2 4.19Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-Q105 PolarHBondContact O-N 3.31Å; L102-V106 WeakPolarHBondContact O-CG2 3.31Å; L102-V106 PolarHBondContact O-N 3.33Å; L102-V106 VanDerWaalsContact O-N 3.14Å; L102-L312 HydrophobicContact CB-CD1 4.24Å; L102-L312 HydrophobicContact CB-CD2 4.18Å; L102-L312 HydrophobicContact CD1-CD2 3.87Å |
| 103 | L | 94.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.4 | -33.9 | 174.9 | -67.8 | 177 | 0 | 0 | 0 | 112.6 | F74 L75 W99 N100 L101 K107 | F74-L103 HydrophobicContact CB-CD1 3.87Å; F74-L103 HydrophobicContact CB-CD2 3.78Å; F74-L103 HydrophobicContact CD2-CD2 4.39Å; F74-L103 HydrophobicContact CG-CD2 4.39Å; L75-L103 HydrophobicContact CD2-CD1 4.22Å; L75-L103 HydrophobicContact CG-CD1 4.3Å; W99-L103 HydrophobicContact CD2-CD1 4.41Å; W99-L103 HydrophobicContact CH2-CD2 4.26Å; W99-L103 HydrophobicContact CZ2-CD1 3.94Å; W99-L103 HydrophobicContact CZ2-CD2 4.15Å; W99-L103 HydrophobicContact CZ2-CG 4.24Å; W99-L103 WeakPolarHBondContact O-CG 3.36Å; W99-L103 PolarHBondContact O-N 3.33Å; W99-L103 VanDerWaalsContact O-N 3.16Å; N100-L103 PolarHBondContact O-N 3.3Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.09Å; L103-K107 WeakPolarHBondContact O-CG 3.5Å; L103-K107 PolarHBondContact O-N 3.28Å |
| 104 | L | 94 | Very high | 95.5 | Very high | 99 Ų | 99 | 46.8 Ų | 46.8 | 52% | 0.518 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.2 | -32.4 | 174.5 | -74 | 167.8 | 0 | 0 | 0 | 112.3 | N100 L101 L102 K107 R108 | N100-L104 VanDerWaalsContact O-CG 3.3Å; N100-L104 WeakPolarHBondContact O-CG 3.27Å; N100-L104 PolarHBondContact O-N 3.29Å; L101-L104 HydrophobicContact CD2-CD1 4.33Å; L101-L104 CarbonylContact O-C 3.59Å; L101-L104 WeakPolarHBondContact O-CA 3.32Å; L101-L104 WeakPolarHBondContact O-CB 3.37Å; L101-L104 PolarHBondContact O-N 3.48Å; L101-L104 VanDerWaalsContact O-N 3.08Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L104-K107 CarbonylContact O-C 3.38Å; L104-K107 WeakPolarHBondContact O-CB 3.45Å; L104-K107 PolarHBondContact O-N 3.49Å; L104-R108 PolarHBondContact O-N 3.21Å |
| 105 | Q | 97.4 | Very high | 95.8 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.1 | -45.9 | 173.9 | 176.2 | 59.3 | 4.1 | 0 | 0 | 111.7 | L101 L102 K107 R108 E109 K305 L309 | L101-Q105 PolarHBondContact O-N 3.44Å; L102-Q105 PolarHBondContact O-N 3.31Å; Q105-K107 PolarHBondContact O-N 3.18Å; Q105-R108 WeakPolarHBondContact O-CA 3.4Å; Q105-R108 VanDerWaalsContact O-CB 3.26Å; Q105-R108 WeakPolarHBondContact O-CB 3.26Å; Q105-R108 PolarHBondContact O-N 3.04Å; Q105-E109 PolarHBondContact NE2-OE1 3.21Å; Q105-E109 PolarHBondContact O-N 3.37Å; Q105-K305 PolarHBondContact NE2-O 2.9Å; Q105-L309 HydrophobicContact CG-CD2 4.42Å |
| 106 | V | 98.1 | Very high | 96 | Very high | 22 Ų | 22 | 46.5 Ų | 46.5 | 13% | 0.133 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.5 | -34.1 | 171.7 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | L67 L70 A71 L102 S110 | L67-V106 HydrophobicContact CB-CG1 3.99Å; L67-V106 HydrophobicContact CD2-CG1 4.22Å; L67-V106 WeakPolarHBondContact O-CG1 3.5Å; L70-V106 HydrophobicContact CB-CG1 4.45Å; L70-V106 HydrophobicContact CD2-CG1 4.24Å; L70-V106 HydrophobicContact CG-CG1 4.47Å; A71-V106 HydrophobicContact CB-CB 4.4Å; A71-V106 HydrophobicContact CB-CG1 3.99Å; L102-V106 WeakPolarHBondContact O-CG2 3.31Å; L102-V106 PolarHBondContact O-N 3.33Å; L102-V106 VanDerWaalsContact O-N 3.14Å; V106-S110 WeakPolarHBondContact O-CB 3.46Å; V106-S110 PolarHBondContact O-N 3.5Å |
| 107 | K | 97.1 | Very high | 96.4 | Very high | 50 Ų | 50 | 43.4 Ų | 43.4 | 22% | 0.217 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -75.5 | -18.6 | 171.6 | -70 | -143.1 | 66.6 | 152.7 | 0 | 114.8 | E68 A71 L75 L103 L104 Q105 R111 | E68-K107 WeakPolarHBondContact OE1-CE 3.3Å; E68-K107 IonicContact OE1-NZ 3.48Å; E68-K107 PolarHBondContact OE1-NZ 2.9Å; E68-K107 VanDerWaalsContact OE2-CE 3.29Å; E68-K107 WeakPolarHBondContact OE2-CE 3.35Å; E68-K107 IonicContact OE2-NZ 2.71Å; A71-K107 HydrophobicContact CB-CD 4.14Å; A71-K107 HydrophobicContact CB-CG 3.43Å; A71-K107 VanDerWaalsContact CB-CG 3.43Å; L75-K107 HydrophobicContact CD1-CD 3.73Å; L75-K107 HydrophobicContact CD1-CG 4.38Å; L103-K107 WeakPolarHBondContact O-CG 3.5Å; L103-K107 PolarHBondContact O-N 3.28Å; L104-K107 CarbonylContact O-C 3.38Å; L104-K107 WeakPolarHBondContact O-CB 3.45Å; L104-K107 PolarHBondContact O-N 3.49Å; Q105-K107 PolarHBondContact O-N 3.18Å; K107-R111 PolarHBondContact O-NE 3.37Å |
| 108 | R | 97.3 | Very high | 96.8 | Very high | 64 Ų | 64 | 44.2 Ų | 44.2 | 24% | 0.242 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -74.7 | -61.8 | 172 | -166.4 | -168.3 | -67.3 | -139.6 | -1.2 | 108.5 | L104 Q105 S110 R111 D112 S304 | L104-R108 PolarHBondContact O-N 3.21Å; Q105-R108 WeakPolarHBondContact O-CA 3.4Å; Q105-R108 VanDerWaalsContact O-CB 3.26Å; Q105-R108 WeakPolarHBondContact O-CB 3.26Å; Q105-R108 PolarHBondContact O-N 3.04Å; R108-S110 VanDerWaalsContact C-N 3.28Å; R108-S110 PolarHBondContact O-N 3.45Å; R108-R111 PolarHBondContact O-N 3.01Å; R108-D112 VanDerWaalsContact O-CG 3.27Å; R108-D112 PolarHBondContact O-N 3.46Å; R108-S304 WeakPolarHBondContact CD-O 3.49Å; R108-S304 WeakPolarHBondContact CD-OG 3.28Å; R108-S304 PolarHBondContact NH1-O 2.88Å |
| 109 | E | 98.2 | Very high | 97 | Very high | 30 Ų | 30 | 46 Ų | 46 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -51.4 | -44.3 | 176.6 | -66.3 | 171.2 | -161 | 0 | 0 | 112.2 | L67 Q105 R111 D112 H113 | L67-E109 HydrophobicContact CD1-CB 3.69Å; Q105-E109 PolarHBondContact NE2-OE1 3.21Å; Q105-E109 PolarHBondContact O-N 3.37Å; E109-R111 VanDerWaalsContact C-N 3.29Å; E109-R111 PolarHBondContact O-N 2.92Å; E109-D112 PolarHBondContact O-N 3.31Å; E109-D112 VanDerWaalsContact O-N 3.15Å; E109-H113 PolarHBondContact O-CD2 3.21Å; E109-H113 PolarHBondContact O-N 3.39Å |
| 110 | S | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -46.9 | -46.9 | 171.9 | 169.4 | 0 | 0 | 0 | 0 | 113.8 | S64 E68 V106 R108 A114 | S64-S110 VanDerWaalsContact CB-O 3.24Å; S64-S110 WeakPolarHBondContact CB-O 3.29Å; S64-S110 PolarHBondContact OG-O 3.32Å; E68-S110 WeakPolarHBondContact CB-OG 2.84Å; E68-S110 WeakPolarHBondContact OE2-CB 3.37Å; E68-S110 PolarHBondContact OE2-OG 3.46Å; V106-S110 WeakPolarHBondContact O-CB 3.46Å; V106-S110 PolarHBondContact O-N 3.5Å; R108-S110 VanDerWaalsContact C-N 3.28Å; R108-S110 PolarHBondContact O-N 3.45Å; S110-A114 PolarHBondContact O-N 2.88Å |
| 111 | R | 98.3 | Very high | 97.6 | Very high | 145 Ų | 145 | 43.6 Ų | 43.6 | 55% | 0.547 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -80.1 | -32.8 | -178.8 | -69.2 | 175.8 | -69.1 | 155.6 | 5.4 | 112.1 | K107 R108 E109 A114 T115 | K107-R111 PolarHBondContact O-NE 3.37Å; R108-R111 PolarHBondContact O-N 3.01Å; E109-R111 VanDerWaalsContact C-N 3.29Å; E109-R111 PolarHBondContact O-N 2.92Å; R111-A114 PolarHBondContact O-N 3.47Å; R111-T115 WeakPolarHBondContact O-CB 3.19Å; R111-T115 PolarHBondContact O-N 2.89Å; R111-T115 PolarHBondContact O-OG1 2.99Å |
| 112 | D | 98.4 | Very high | 97.7 | Very high | 29 Ų | 29 | 47.5 Ų | 47.5 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.8 | -43.4 | -177.6 | -61 | -10.5 | 0 | 0 | 0 | 110.3 | R108 E109 A114 T115 L116 V301 S304 | R108-D112 VanDerWaalsContact O-CG 3.27Å; R108-D112 PolarHBondContact O-N 3.46Å; E109-D112 PolarHBondContact O-N 3.31Å; E109-D112 VanDerWaalsContact O-N 3.15Å; D112-A114 PolarHBondContact O-N 3.12Å; D112-T115 WeakPolarHBondContact O-CB 3.12Å; D112-T115 PolarHBondContact O-N 3.48Å; D112-L116 WeakPolarHBondContact O-CB 3.36Å; D112-L116 PolarHBondContact O-N 2.88Å; D112-V301 HydrophobicContact CB-CG1 4.26Å; D112-V301 HydrophobicContact CB-CG2 4.31Å; D112-S304 VanDerWaalsContact OD2-CB 3.25Å; D112-S304 WeakPolarHBondContact OD2-CB 3.42Å; D112-S304 PolarHBondContact OD2-OG 2.95Å |
| 113 | H | 98.6 | Very high | 97.8 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 15% | 0.148 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.2 | -33.4 | 172 | -74.4 | -80.2 | 0 | 0 | 0 | 113.1 | E60 Y63 E109 L116 S117 | E60-H113 IonicContact OE2-CE1 3.11Å; E60-H113 IonicContact OE2-CG 2.75Å; E60-H113 IonicContact OE2-ND1 2.72Å; E60-H113 PolarHBondContact OE2-ND1 3.47Å; Y63-H113 HydrophobicContact CD1-CB 4.43Å; Y63-H113 AromaticContact CD1-CD2 3.68Å; Y63-H113 AromaticContact CD1-CE1 3.89Å; Y63-H113 AromaticContact CD1-CG 3.76Å; Y63-H113 AromaticContact CD1-ND1 3.87Å; Y63-H113 AromaticContact CD1-NE2 3.77Å; Y63-H113 AromaticContact CE1-CD2 3.67Å; Y63-H113 AromaticContact CE1-CE1 3.94Å; Y63-H113 AromaticContact CE1-NE2 3.48Å; Y63-H113 WeakPolarHBondContact CE1-NE2 3.5Å; E109-H113 PolarHBondContact O-CD2 3.21Å; E109-H113 PolarHBondContact O-N 3.39Å; H113-L116 PolarHBondContact O-N 3.33Å; H113-S117 PolarHBondContact O-N 2.94Å |
| 114 | A | 98.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M61 S110 R111 D112 L116 S117 D118 | M61-A114 HydrophobicContact CE-CB 4.14Å; S110-A114 PolarHBondContact O-N 2.88Å; R111-A114 PolarHBondContact O-N 3.47Å; D112-A114 PolarHBondContact O-N 3.12Å; A114-L116 VanDerWaalsContact C-N 3.31Å; A114-L116 PolarHBondContact O-N 3.32Å; A114-S117 WeakPolarHBondContact O-CB 3.3Å; A114-S117 PolarHBondContact O-N 2.79Å; A114-D118 PolarHBondContact O-N 2.83Å |
| 115 | T | 98.4 | Very high | 98.1 | Very high | 79 Ų | 79 | 41.9 Ų | 41.9 | 49% | 0.485 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.4 | -37.7 | 177.3 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | R111 D112 D118 L119 | R111-T115 WeakPolarHBondContact O-CB 3.19Å; R111-T115 PolarHBondContact O-N 2.89Å; R111-T115 PolarHBondContact O-OG1 2.99Å; D112-T115 WeakPolarHBondContact O-CB 3.12Å; D112-T115 PolarHBondContact O-N 3.48Å; T115-D118 PolarHBondContact O-N 2.93Å; T115-L119 HydrophobicContact CG2-CD1 4.33Å; T115-L119 WeakPolarHBondContact O-CB 3.28Å; T115-L119 WeakPolarHBondContact O-CG 3.13Å; T115-L119 PolarHBondContact O-N 3.36Å |
| 116 | L | 98.2 | Very high | 98.2 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.7 | -45.9 | 175.8 | -170 | 62.4 | 0 | 0 | 0 | 111.8 | E60 D112 H113 A114 D118 L119 Y120 A297 V301 | E60-L116 HydrophobicContact CG-CD2 4.1Å; E60-L116 HydrophobicContact CG-CG 4.32Å; D112-L116 WeakPolarHBondContact O-CB 3.36Å; D112-L116 PolarHBondContact O-N 2.88Å; H113-L116 PolarHBondContact O-N 3.33Å; A114-L116 VanDerWaalsContact C-N 3.31Å; A114-L116 PolarHBondContact O-N 3.32Å; L116-D118 PolarHBondContact O-N 2.93Å; L116-L119 PolarHBondContact O-N 2.81Å; L116-Y120 HydrophobicContact CD1-CE1 3.61Å; L116-Y120 WeakPolarHBondContact CD1-OH 3.37Å; L116-Y120 WeakPolarHBondContact CD2-OH 3.35Å; L116-Y120 HydrophobicContact CG-CE1 3.95Å; L116-Y120 HydrophobicContact CG-CE2 4.03Å; L116-Y120 WeakPolarHBondContact CG-OH 3.22Å; L116-Y120 WeakPolarHBondContact O-CD1 3.44Å; L116-Y120 VanDerWaalsContact O-CG 3.28Å; L116-Y120 PolarHBondContact O-N 3.15Å; L116-A297 HydrophobicContact CD1-CB 3.62Å; L116-V301 HydrophobicContact CB-CG2 4.36Å; L116-V301 HydrophobicContact CD1-CG2 4.33Å; L116-V301 HydrophobicContact CD2-CG2 4.32Å |
| 117 | S | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.8 | -50.2 | 169.6 | 160.8 | 0 | 0 | 0 | 0 | 111.9 | A57 M61 H113 A114 L119 Y120 L121 | A57-S117 PolarHBondContact O-OG 2.98Å; M61-S117 WeakPolarHBondContact CE-OG 3.37Å; H113-S117 PolarHBondContact O-N 2.94Å; A114-S117 WeakPolarHBondContact O-CB 3.3Å; A114-S117 PolarHBondContact O-N 2.79Å; S117-L119 VanDerWaalsContact C-N 3.32Å; S117-L119 PolarHBondContact O-N 3.29Å; S117-Y120 PolarHBondContact O-N 3.2Å; S117-Y120 VanDerWaalsContact O-N 3.13Å; S117-L121 WeakPolarHBondContact O-CG 3.39Å; S117-L121 PolarHBondContact O-N 3.34Å |
| 118 | D | 98.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 44.8 Ų | 44.8 | 42% | 0.422 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.1 | -33.5 | -177.6 | -75.6 | -13.9 | 0 | 0 | 0 | 112.2 | A114 T115 L116 N122 | A114-D118 PolarHBondContact O-N 2.83Å; T115-D118 PolarHBondContact O-N 2.93Å; L116-D118 PolarHBondContact O-N 2.93Å; D118-N122 VanDerWaalsContact O-CB 3.26Å; D118-N122 WeakPolarHBondContact O-CB 3.3Å; D118-N122 PolarHBondContact O-N 2.85Å; D118-N122 PolarHBondContact O-ND2 3.39Å |
| 119 | L | 98.2 | Very high | 98.2 | Very high | 58 Ų | 58 | 43.2 Ų | 43.2 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.2 | -40.7 | 171.1 | -76.3 | 169.2 | 0 | 0 | 0 | 111.8 | T115 L116 S117 N123 I124 A297 | T115-L119 HydrophobicContact CG2-CD1 4.33Å; T115-L119 WeakPolarHBondContact O-CB 3.28Å; T115-L119 WeakPolarHBondContact O-CG 3.13Å; T115-L119 PolarHBondContact O-N 3.36Å; L116-L119 PolarHBondContact O-N 2.81Å; S117-L119 VanDerWaalsContact C-N 3.32Å; S117-L119 PolarHBondContact O-N 3.29Å; L119-N123 HydrophobicContact CD2-CB 4.42Å; L119-N123 WeakPolarHBondContact O-CA 3.47Å; L119-N123 WeakPolarHBondContact O-CB 3.42Å; L119-N123 PolarHBondContact O-N 2.94Å; L119-I124 PolarHBondContact O-N 3.48Å; L119-A297 HydrophobicContact CD1-CB 3.93Å |
| 120 | Y | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -64.3 | -48.8 | 176.5 | -60.7 | -14.7 | 0 | 0 | 0 | 111.6 | F53 K56 A57 E60 L116 S117 I124 I125 Y294 E298 | F53-Y120 AromaticContact CD1-CD1 3.94Å; F53-Y120 HydrophobicContact CD1-CD1 3.94Å; F53-Y120 HydrophobicContact CD1-CD2 4.11Å; F53-Y120 HydrophobicContact CD1-CE1 4.22Å; F53-Y120 HydrophobicContact CD1-CE2 4.4Å; F53-Y120 AromaticContact CD1-CG 3.87Å; F53-Y120 HydrophobicContact CD1-CG 3.87Å; F53-Y120 HydrophobicContact CE1-CD1 4.15Å; F53-Y120 HydrophobicContact CE1-CE1 4.04Å; F53-Y120 HydrophobicContact CE1-CG 4.49Å; K56-Y120 HydrophobicContact CB-CD2 4.22Å; K56-Y120 HydrophobicContact CB-CE2 3.98Å; K56-Y120 HydrophobicContact CD-CE2 3.62Å; K56-Y120 HydrophobicContact CG-CD2 4.45Å; K56-Y120 HydrophobicContact CG-CE2 3.72Å; K56-Y120 PolarHBondContact NZ-OH 3.17Å; A57-Y120 HydrophobicContact CB-CD2 4.02Å; E60-Y120 HydrophobicContact CG-CD2 4.5Å; E60-Y120 HydrophobicContact CG-CE2 3.84Å; L116-Y120 HydrophobicContact CD1-CE1 3.61Å; L116-Y120 WeakPolarHBondContact CD1-OH 3.37Å; L116-Y120 WeakPolarHBondContact CD2-OH 3.35Å; L116-Y120 HydrophobicContact CG-CE1 3.95Å; L116-Y120 HydrophobicContact CG-CE2 4.03Å; L116-Y120 WeakPolarHBondContact CG-OH 3.22Å; L116-Y120 WeakPolarHBondContact O-CD1 3.44Å; L116-Y120 VanDerWaalsContact O-CG 3.28Å; L116-Y120 PolarHBondContact O-N 3.15Å; S117-Y120 PolarHBondContact O-N 3.2Å; S117-Y120 VanDerWaalsContact O-N 3.13Å; Y120-I124 HydrophobicContact CD1-CD1 3.75Å; Y120-I124 HydrophobicContact CD1-CG1 4.37Å; Y120-I124 HydrophobicContact CE1-CD1 4.16Å; Y120-I124 PolarHBondContact O-N 2.7Å; Y120-I125 WeakPolarHBondContact O-CG1 3.39Å; Y120-I125 PolarHBondContact O-N 3.07Å; Y120-Y294 AromaticContact CE1-CD2 3.9Å; Y120-Y294 HydrophobicContact CE1-CD2 3.9Å; Y120-Y294 HydrophobicContact CE1-CE2 4.39Å; Y120-E298 PolarHBondContact OH-OE1 3.43Å |
| 121 | L | 98.3 | Very high | 98 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 38% | 0.382 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -65.9 | -42.9 | -177.7 | -67 | 171.9 | 0 | 0 | 0 | 112.9 | R54 A57 S117 I125 P126 | R54-L121 HydrophobicContact CG-CD2 4.5Å; A57-L121 HydrophobicContact CB-CD1 4.32Å; A57-L121 HydrophobicContact CB-CD2 3.93Å; A57-L121 HydrophobicContact CB-CG 3.8Å; S117-L121 WeakPolarHBondContact O-CG 3.39Å; S117-L121 PolarHBondContact O-N 3.34Å; L121-I125 HydrophobicContact CD2-CD1 4.16Å; L121-P126 WeakPolarHBondContact O-CD 3.46Å |
| 122 | N | 97.8 | Very high | 97.8 | Very high | 119 Ų | 119 | 41.4 Ų | 41.4 | 64% | 0.636 | 23% | 0.226 | S | C | * | . | I | π-helix | trans | -102.8 | -11.1 | -169.9 | -57.1 | -74.1 | 0 | 0 | 0 | 114.4 | D118 | D118-N122 VanDerWaalsContact O-CB 3.26Å; D118-N122 WeakPolarHBondContact O-CB 3.3Å; D118-N122 PolarHBondContact O-N 2.85Å; D118-N122 PolarHBondContact O-ND2 3.39Å |
| 123 | N | 97.6 | Very high | 97.7 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 24% | 0.241 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -127.9 | -45.7 | -175.4 | -163.5 | -15.1 | 0 | 0 | 0 | 112.8 | L119 R127 | L119-N123 HydrophobicContact CD2-CB 4.42Å; L119-N123 WeakPolarHBondContact O-CA 3.47Å; L119-N123 WeakPolarHBondContact O-CB 3.42Å; L119-N123 PolarHBondContact O-N 2.94Å; N123-R127 VanDerWaalsContact O-CD 3.32Å; N123-R127 WeakPolarHBondContact O-CD 3.48Å; N123-R127 WeakPolarHBondContact O-CG 3.5Å; N123-R127 PolarHBondContact O-NE 3.14Å; N123-R127 PolarHBondContact OD1-NE 3.13Å; N123-R127 PolarHBondContact OD1-NH2 2.93Å |
| 124 | I | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -84.6 | -52.1 | -174.7 | -53.9 | -164.9 | 0 | 0 | 0 | 112.6 | F53 L119 Y120 R127 F128 T293 | F53-I124 HydrophobicContact CD1-CG2 4.35Å; F53-I124 HydrophobicContact CD2-CG2 4.11Å; F53-I124 HydrophobicContact CE1-CD1 4.45Å; F53-I124 HydrophobicContact CE2-CG2 4.26Å; F53-I124 HydrophobicContact CG-CG2 4.15Å; F53-I124 HydrophobicContact CZ-CG2 4.46Å; L119-I124 PolarHBondContact O-N 3.48Å; Y120-I124 HydrophobicContact CD1-CD1 3.75Å; Y120-I124 HydrophobicContact CD1-CG1 4.37Å; Y120-I124 HydrophobicContact CE1-CD1 4.16Å; Y120-I124 PolarHBondContact O-N 2.7Å; I124-R127 WeakPolarHBondContact O-CB 3.16Å; I124-R127 PolarHBondContact O-N 3.47Å; I124-R127 VanDerWaalsContact O-N 3.09Å; I124-F128 HydrophobicContact CG2-CD2 4.02Å; I124-F128 HydrophobicContact CG2-CE2 3.42Å; I124-F128 VanDerWaalsContact CG2-CE2 3.42Å; I124-F128 HydrophobicContact CG2-CZ 4.08Å; I124-F128 PolarHBondContact O-N 3.4Å; I124-T293 HydrophobicContact CD1-CG2 4.34Å; I124-T293 HydrophobicContact CG1-CG2 4.14Å |
| 125 | I | 98.3 | Very high | 97.1 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 9% | 0.092 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 179.3 | -64.3 | 169 | 0 | 0 | 0 | 111.7 | Q50 F53 R54 Y120 L121 R127 F128 A129 | Q50-I125 HydrophobicContact CB-CG2 4.25Å; Q50-I125 HydrophobicContact CG-CG2 4.15Å; F53-I125 HydrophobicContact CB-CD1 4.17Å; F53-I125 HydrophobicContact CB-CG1 3.73Å; R54-I125 HydrophobicContact CB-CD1 3.86Å; R54-I125 HydrophobicContact CG-CD1 4.34Å; Y120-I125 WeakPolarHBondContact O-CG1 3.39Å; Y120-I125 PolarHBondContact O-N 3.07Å; L121-I125 HydrophobicContact CD2-CD1 4.16Å; I125-R127 PolarHBondContact O-N 3.12Å; I125-F128 PolarHBondContact O-N 2.78Å; I125-F128 VanDerWaalsContact O-N 3.17Å; I125-A129 PolarHBondContact O-N 2.91Å |
| 126 | P | 98.3 | Very high | 96.8 | Very high | 62 Ų | 62 | 44.2 Ų | 44.2 | 40% | 0.403 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.7 | -28.8 | 176.1 | -25.6 | 37.1 | 0 | 0 | 0 | 114 | L121 Q130 | L121-P126 WeakPolarHBondContact O-CD 3.46Å; P126-Q130 WeakPolarHBondContact O-CB 3.27Å; P126-Q130 PolarHBondContact O-N 3.28Å |
| 127 | R | 97.9 | Very high | 96.6 | Very high | 78 Ų | 78 | 50.8 Ų | 50.8 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.2 | -45.1 | 173.6 | -74.2 | 172.2 | -162.9 | -64 | -5.2 | 111.5 | N123 I124 I125 A129 Q130 I131 A290 | N123-R127 VanDerWaalsContact O-CD 3.32Å; N123-R127 WeakPolarHBondContact O-CD 3.48Å; N123-R127 WeakPolarHBondContact O-CG 3.5Å; N123-R127 PolarHBondContact O-NE 3.14Å; N123-R127 PolarHBondContact OD1-NE 3.13Å; N123-R127 PolarHBondContact OD1-NH2 2.93Å; I124-R127 WeakPolarHBondContact O-CB 3.16Å; I124-R127 PolarHBondContact O-N 3.47Å; I124-R127 VanDerWaalsContact O-N 3.09Å; I125-R127 PolarHBondContact O-N 3.12Å; R127-A129 VanDerWaalsContact C-N 3.35Å; R127-Q130 PolarHBondContact O-N 3.14Å; R127-I131 WeakPolarHBondContact O-CB 3.36Å; R127-I131 WeakPolarHBondContact O-CD1 3.35Å; R127-I131 WeakPolarHBondContact O-CG1 3.27Å; R127-I131 PolarHBondContact O-N 2.73Å; R127-A290 HydrophobicContact CB-CB 4.19Å |
| 128 | F | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 177.8 | -65.3 | -47.8 | 0 | 0 | 0 | 112.3 | L46 L49 Q50 F53 I124 I125 I131 S132 L287 A290 L291 | L46-F128 HydrophobicContact CD2-CB 4.44Å; L46-F128 HydrophobicContact CD2-CD1 3.91Å; L49-F128 HydrophobicContact CB-CD2 4Å; L49-F128 HydrophobicContact CB-CE2 4.04Å; L49-F128 HydrophobicContact CB-CG 4.28Å; L49-F128 HydrophobicContact CB-CZ 4.36Å; L49-F128 HydrophobicContact CD1-CD1 4.34Å; L49-F128 HydrophobicContact CD1-CE1 4.02Å; L49-F128 HydrophobicContact CD1-CZ 4.23Å; Q50-F128 HydrophobicContact CG-CB 3.52Å; F53-F128 HydrophobicContact CD2-CD2 4.39Å; F53-F128 AromaticContact CD2-CE2 3.61Å; F53-F128 HydrophobicContact CD2-CE2 3.61Å; F53-F128 AromaticContact CE2-CE2 3.82Å; F53-F128 HydrophobicContact CE2-CE2 3.82Å; F53-F128 HydrophobicContact CE2-CZ 4.32Å; I124-F128 HydrophobicContact CG2-CD2 4.02Å; I124-F128 HydrophobicContact CG2-CE2 3.42Å; I124-F128 VanDerWaalsContact CG2-CE2 3.42Å; I124-F128 HydrophobicContact CG2-CZ 4.08Å; I124-F128 PolarHBondContact O-N 3.4Å; I125-F128 PolarHBondContact O-N 2.78Å; I125-F128 VanDerWaalsContact O-N 3.17Å; F128-I131 HydrophobicContact CD1-CD1 4.3Å; F128-I131 PolarHBondContact O-N 3.15Å; F128-S132 WeakPolarHBondContact O-CB 3.3Å; F128-S132 PolarHBondContact O-N 2.84Å; F128-L287 HydrophobicContact CD1-CD1 4.47Å; F128-L287 HydrophobicContact CE1-CD1 3.7Å; F128-A290 HydrophobicContact CD1-CB 4.14Å; F128-A290 HydrophobicContact CE1-CB 3.46Å; F128-A290 VanDerWaalsContact CE1-CB 3.46Å; F128-A290 HydrophobicContact CZ-CB 3.74Å; F128-L291 HydrophobicContact CZ-CD2 4.23Å |
| 129 | A | 96.6 | Very high | 96 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.1 | -51.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I125 R127 I131 S132 E133 | I125-A129 PolarHBondContact O-N 2.91Å; R127-A129 VanDerWaalsContact C-N 3.35Å; A129-I131 PolarHBondContact O-N 2.97Å; A129-S132 WeakPolarHBondContact O-CB 3.44Å; A129-S132 PolarHBondContact O-N 2.9Å; A129-S132 VanDerWaalsContact O-N 3.13Å; A129-E133 PolarHBondContact O-N 3.46Å |
| 130 | Q | 96.8 | Very high | 95.8 | Very high | 108 Ų | 108 | 53.8 Ų | 53.8 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 177.7 | -166.9 | -159.2 | -36.9 | 0 | 0 | 112.1 | P126 R127 S132 E133 D134 | P126-Q130 WeakPolarHBondContact O-CB 3.27Å; P126-Q130 PolarHBondContact O-N 3.28Å; R127-Q130 PolarHBondContact O-N 3.14Å; Q130-S132 VanDerWaalsContact C-N 3.26Å; Q130-S132 PolarHBondContact O-N 3.09Å; Q130-E133 PolarHBondContact O-N 2.97Å; Q130-D134 PolarHBondContact NE2-OD2 3.3Å; Q130-D134 WeakPolarHBondContact O-CB 3.38Å; Q130-D134 PolarHBondContact O-N 2.97Å |
| 131 | I | 96.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 5% | 0.051 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.3 | -38 | 177.6 | -65.3 | 160.6 | 0 | 0 | 0 | 110.3 | L46 R127 F128 A129 D134 S135 Y283 | L46-I131 HydrophobicContact CD1-CB 4.37Å; L46-I131 HydrophobicContact CD1-CG2 3.79Å; L46-I131 HydrophobicContact CD2-CB 4.21Å; L46-I131 HydrophobicContact CD2-CG2 3.88Å; R127-I131 WeakPolarHBondContact O-CB 3.36Å; R127-I131 WeakPolarHBondContact O-CD1 3.35Å; R127-I131 WeakPolarHBondContact O-CG1 3.27Å; R127-I131 PolarHBondContact O-N 2.73Å; F128-I131 HydrophobicContact CD1-CD1 4.3Å; F128-I131 PolarHBondContact O-N 3.15Å; A129-I131 PolarHBondContact O-N 2.97Å; I131-D134 PolarHBondContact O-N 3.12Å; I131-S135 VanDerWaalsContact O-CB 3.25Å; I131-S135 WeakPolarHBondContact O-CB 3.31Å; I131-S135 PolarHBondContact O-N 3.08Å; I131-S135 PolarHBondContact O-OG 3.05Å; I131-Y283 HydrophobicContact CG2-CD2 3.8Å; I131-Y283 HydrophobicContact CG2-CE2 4.22Å |
| 132 | S | 94.9 | Very high | 95.4 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.6 | -41 | 176.9 | -167.3 | 0 | 0 | 0 | 0 | 112.3 | F128 A129 Q130 G136 | F128-S132 WeakPolarHBondContact O-CB 3.3Å; F128-S132 PolarHBondContact O-N 2.84Å; A129-S132 WeakPolarHBondContact O-CB 3.44Å; A129-S132 PolarHBondContact O-N 2.9Å; A129-S132 VanDerWaalsContact O-N 3.13Å; Q130-S132 VanDerWaalsContact C-N 3.26Å; Q130-S132 PolarHBondContact O-N 3.09Å; S132-G136 PolarHBondContact O-N 3.07Å |
| 133 | E | 94.9 | Very high | 95.2 | Very high | 141 Ų | 141 | 54.1 Ų | 54.1 | 66% | 0.659 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -66.6 | -41.2 | 174 | -68.9 | -177.7 | -166.7 | 0 | 0 | 112.3 | A129 Q130 R137 | A129-E133 PolarHBondContact O-N 3.46Å; Q130-E133 PolarHBondContact O-N 2.97Å; E133-R137 VanDerWaalsContact O-CB 3.3Å; E133-R137 WeakPolarHBondContact O-CB 3.26Å; E133-R137 PolarHBondContact O-N 3.29Å |
| 134 | D | 93.3 | Very high | 95.1 | Very high | 38 Ų | 38 | 56 Ų | 56 | 20% | 0.203 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.5 | -48.3 | 178.3 | -75.4 | -25.6 | 0 | 0 | 0 | 111.3 | Q130 I131 R137 L138 | Q130-D134 PolarHBondContact NE2-OD2 3.3Å; Q130-D134 WeakPolarHBondContact O-CB 3.38Å; Q130-D134 PolarHBondContact O-N 2.97Å; I131-D134 PolarHBondContact O-N 3.12Å; D134-R137 PolarHBondContact O-N 3.3Å; D134-R137 IonicContact OD1-CZ 2.67Å; D134-R137 IonicContact OD1-NH1 3.74Å; D134-R137 PolarHBondContact OD1-NH1 2.77Å; D134-R137 IonicContact OD1-NH2 2.65Å; D134-R137 PolarHBondContact OD1-NH2 2.63Å; D134-L138 WeakPolarHBondContact O-CB 2.94Å; D134-L138 WeakPolarHBondContact O-CG 3.31Å; D134-L138 PolarHBondContact O-N 2.77Å |
| 135 | S | 92.1 | Very high | 95 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 175.5 | -74.7 | 0 | 0 | 0 | 0 | 112.3 | I131 R137 L138 F139 | I131-S135 VanDerWaalsContact O-CB 3.25Å; I131-S135 WeakPolarHBondContact O-CB 3.31Å; I131-S135 PolarHBondContact O-N 3.08Å; I131-S135 PolarHBondContact O-OG 3.05Å; S135-R137 VanDerWaalsContact C-N 3.31Å; S135-R137 PolarHBondContact O-N 2.87Å; S135-L138 PolarHBondContact O-N 3.17Å; S135-F139 WeakPolarHBondContact O-CB 3.25Å; S135-F139 PolarHBondContact O-N 2.98Å |
| 136 | G | 91.3 | Very high | 94.8 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | S132 K140 | S132-G136 PolarHBondContact O-N 3.07Å; G136-K140 WeakPolarHBondContact O-CB 3.41Å; G136-K140 PolarHBondContact O-N 3.03Å |
| 137 | R | 93.8 | Very high | 94.7 | Very high | 139 Ų | 139 | 58.9 Ų | 58.9 | 53% | 0.525 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -70.8 | -44.2 | 175.5 | -175.4 | -177.6 | 67.6 | -107.8 | 0.1 | 112.5 | E133 D134 S135 K141 | E133-R137 VanDerWaalsContact O-CB 3.3Å; E133-R137 WeakPolarHBondContact O-CB 3.26Å; E133-R137 PolarHBondContact O-N 3.29Å; D134-R137 PolarHBondContact O-N 3.3Å; D134-R137 IonicContact OD1-CZ 2.67Å; D134-R137 IonicContact OD1-NH1 3.74Å; D134-R137 PolarHBondContact OD1-NH1 2.77Å; D134-R137 IonicContact OD1-NH2 2.65Å; D134-R137 PolarHBondContact OD1-NH2 2.63Å; S135-R137 VanDerWaalsContact C-N 3.31Å; S135-R137 PolarHBondContact O-N 2.87Å; R137-K141 PolarHBondContact O-N 3.04Å |
| 138 | L | 91.8 | Very high | 94.7 | Very high | 47 Ų | 47 | 59.6 Ų | 59.6 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.3 | -51.3 | 177.5 | -80.4 | 164.7 | 0 | 0 | 0 | 111 | D134 S135 K140 K141 S142 L281 | D134-L138 WeakPolarHBondContact O-CB 2.94Å; D134-L138 WeakPolarHBondContact O-CG 3.31Å; D134-L138 PolarHBondContact O-N 2.77Å; S135-L138 PolarHBondContact O-N 3.17Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.09Å; L138-K141 WeakPolarHBondContact O-CA 3.39Å; L138-K141 WeakPolarHBondContact O-CB 3.41Å; L138-K141 PolarHBondContact O-N 3.21Å; L138-S142 PolarHBondContact O-N 3.22Å; L138-S142 PolarHBondContact O-OG 3.18Å; L138-L281 HydrophobicContact CD1-CB 4.47Å; L138-L281 VanDerWaalsContact CD1-O 3.25Å; L138-L281 WeakPolarHBondContact CD1-O 3.03Å; L138-L281 HydrophobicContact CD2-CD2 4.22Å |
| 139 | F | 93.1 | Very high | 94.6 | Very high | 24 Ų | 24 | 61.7 Ų | 61.7 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.2 | -46.3 | 178.2 | 177.5 | -104.6 | 0 | 0 | 0 | 112.1 | L35 D36 C39 S135 K141 S142 K143 C279 | L35-F139 HydrophobicContact CB-CE2 4.03Å; L35-F139 HydrophobicContact CB-CZ 4.38Å; L35-F139 WeakPolarHBondContact O-CE2 3.28Å; L35-F139 WeakPolarHBondContact O-CZ 3.43Å; D36-F139 HydrophobicContact CB-CZ 4.47Å; D36-F139 VanDerWaalsContact OD1-CE1 3.27Å; D36-F139 WeakPolarHBondContact OD1-CE1 3.46Å; D36-F139 VanDerWaalsContact OD1-CZ 3.25Å; D36-F139 WeakPolarHBondContact OD1-CZ 3.32Å; C39-F139 HydrophobicContact CB-CB 4.34Å; C39-F139 HydrophobicContact CB-CD1 3.64Å; C39-F139 HydrophobicContact CB-CD2 3.69Å; C39-F139 HydrophobicContact CB-CE1 3.82Å; C39-F139 HydrophobicContact CB-CE2 3.86Å; C39-F139 HydrophobicContact CB-CG 3.58Å; C39-F139 HydrophobicContact CB-CZ 3.94Å; C39-F139 VanDerWaalsContact SG-CB 3.59Å; C39-F139 WeakPolarHBondContact SG-CD1 3.49Å; C39-F139 WeakPolarHBondContact SG-CG 3.27Å; S135-F139 WeakPolarHBondContact O-CB 3.25Å; S135-F139 PolarHBondContact O-N 2.98Å; F139-K141 VanDerWaalsContact C-N 3.25Å; F139-K141 PolarHBondContact O-N 2.89Å; F139-S142 PolarHBondContact O-N 3.2Å; F139-K143 HydrophobicContact CE1-CB 4.48Å; F139-K143 HydrophobicContact CE1-CD 3.99Å; F139-K143 HydrophobicContact CZ-CB 4.43Å; F139-K143 HydrophobicContact CZ-CD 4.13Å; F139-K143 VanDerWaalsContact O-CB 3.25Å; F139-K143 WeakPolarHBondContact O-CB 3.26Å; F139-K143 PolarHBondContact O-N 3.07Å; F139-C279 HydrophobicContact CD2-CB 4.44Å |
| 140 | K | 93.5 | Very high | 94.6 | Very high | 132 Ų | 132 | 61.4 Ų | 61.4 | 57% | 0.574 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -56.6 | -39.4 | 175.5 | -179.9 | 174.9 | 175.7 | 178.6 | 0 | 112.4 | G136 L138 E144 | G136-K140 WeakPolarHBondContact O-CB 3.41Å; G136-K140 PolarHBondContact O-N 3.03Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.09Å; K140-E144 WeakPolarHBondContact CE-OE1 3.39Å; K140-E144 VanDerWaalsContact O-CG 3.31Å; K140-E144 WeakPolarHBondContact O-CG 3.09Å; K140-E144 PolarHBondContact O-N 3.13Å |
| 141 | K | 94.4 | Very high | 94.7 | Very high | 121 Ų | 121 | 61 Ų | 61 | 53% | 0.526 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72 | -44.4 | 178.2 | -76 | -74.1 | 158.2 | -161.1 | 0 | 112.4 | R137 L138 F139 K143 E144 V145 | R137-K141 PolarHBondContact O-N 3.04Å; L138-K141 WeakPolarHBondContact O-CA 3.39Å; L138-K141 WeakPolarHBondContact O-CB 3.41Å; L138-K141 PolarHBondContact O-N 3.21Å; F139-K141 VanDerWaalsContact C-N 3.25Å; F139-K141 PolarHBondContact O-N 2.89Å; K141-K143 VanDerWaalsContact C-N 3.27Å; K141-K143 PolarHBondContact O-N 2.85Å; K141-E144 WeakPolarHBondContact CE-OE2 3.47Å; K141-E144 IonicContact NZ-OE1 3.36Å; K141-E144 IonicContact NZ-OE2 2.75Å; K141-E144 PolarHBondContact NZ-OE2 2.99Å; K141-E144 WeakPolarHBondContact O-CB 3.44Å; K141-E144 PolarHBondContact O-N 3.49Å; K141-V145 PolarHBondContact O-N 2.98Å; K141-V145 VanDerWaalsContact O-N 3.08Å |
| 142 | S | 93.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 63.7 Ų | 63.7 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 175.3 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | L138 F139 V145 G146 C278 C279 | L138-S142 PolarHBondContact O-N 3.22Å; L138-S142 PolarHBondContact O-OG 3.18Å; F139-S142 PolarHBondContact O-N 3.2Å; S142-V145 PolarHBondContact O-N 2.95Å; S142-G146 PolarHBondContact O-N 2.72Å; S142-C278 VanDerWaalsContact OG-C 3.25Å; S142-C278 WeakPolarHBondContact OG-CB 3.39Å; S142-C278 PolarHBondContact OG-O 3.49Å; S142-C279 WeakPolarHBondContact CB-SG 3.29Å |
| 143 | K | 93.4 | Very high | 94.8 | Very high | 68 Ų | 68 | 63 Ų | 63 | 30% | 0.296 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 171.4 | 178 | 160.9 | -176.2 | 174.2 | 0 | 113.2 | L32 D36 F139 K141 V145 G146 V147 | L32-K143 HydrophobicContact CD1-CD 4.2Å; L32-K143 HydrophobicContact CD1-CG 4.01Å; D36-K143 WeakPolarHBondContact OD1-CD 3.17Å; D36-K143 IonicContact OD1-NZ 2.71Å; D36-K143 PolarHBondContact OD1-NZ 2.82Å; D36-K143 IonicContact OD2-NZ 3.47Å; D36-K143 PolarHBondContact OD2-NZ 2.97Å; F139-K143 HydrophobicContact CE1-CB 4.48Å; F139-K143 HydrophobicContact CE1-CD 3.99Å; F139-K143 HydrophobicContact CZ-CB 4.43Å; F139-K143 HydrophobicContact CZ-CD 4.13Å; F139-K143 VanDerWaalsContact O-CB 3.25Å; F139-K143 WeakPolarHBondContact O-CB 3.26Å; F139-K143 PolarHBondContact O-N 3.07Å; K141-K143 VanDerWaalsContact C-N 3.27Å; K141-K143 PolarHBondContact O-N 2.85Å; K143-V145 VanDerWaalsContact C-N 3.31Å; K143-V145 PolarHBondContact O-N 3.09Å; K143-G146 PolarHBondContact O-N 2.69Å; K143-V147 WeakPolarHBondContact O-CG2 3.41Å; K143-V147 PolarHBondContact O-N 2.94Å |
| 144 | E | 95.6 | Very high | 94.9 | Very high | 85 Ų | 85 | 57.2 Ų | 57.2 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 174.7 | -76.1 | 168.1 | -163.5 | 0 | 0 | 111.6 | K140 K141 Q148 | K140-E144 WeakPolarHBondContact CE-OE1 3.39Å; K140-E144 VanDerWaalsContact O-CG 3.31Å; K140-E144 WeakPolarHBondContact O-CG 3.09Å; K140-E144 PolarHBondContact O-N 3.13Å; K141-E144 WeakPolarHBondContact CE-OE2 3.47Å; K141-E144 IonicContact NZ-OE1 3.36Å; K141-E144 IonicContact NZ-OE2 2.75Å; K141-E144 PolarHBondContact NZ-OE2 2.99Å; K141-E144 WeakPolarHBondContact O-CB 3.44Å; K141-E144 PolarHBondContact O-N 3.49Å; E144-Q148 PolarHBondContact O-N 3.34Å |
| 145 | V | 96.1 | Very high | 95 | Very high | 80 Ų | 80 | 59.4 Ų | 59.4 | 49% | 0.485 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73.2 | -41.1 | 175.8 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | K141 S142 K143 V147 Q148 L149 I275 | K141-V145 PolarHBondContact O-N 2.98Å; K141-V145 VanDerWaalsContact O-N 3.08Å; S142-V145 PolarHBondContact O-N 2.95Å; K143-V145 VanDerWaalsContact C-N 3.31Å; K143-V145 PolarHBondContact O-N 3.09Å; V145-V147 VanDerWaalsContact C-N 3.33Å; V145-V147 PolarHBondContact O-N 3.39Å; V145-Q148 WeakPolarHBondContact O-CB 3.29Å; V145-Q148 PolarHBondContact O-N 3.05Å; V145-Q148 VanDerWaalsContact O-N 3.15Å; V145-L149 HydrophobicContact CG1-CD1 4.12Å; V145-L149 HydrophobicContact CG1-CG 4.48Å; V145-L149 WeakPolarHBondContact O-CG 3.49Å; V145-L149 PolarHBondContact O-N 3.39Å; V145-I275 HydrophobicContact CB-CD1 3.88Å; V145-I275 HydrophobicContact CG1-CD1 3.74Å |
| 146 | G | 95.4 | Very high | 95.3 | Very high | 8 Ų | 8 | 60.4 Ų | 60.4 | 8% | 0.082 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S142 K143 L149 Q150 | S142-G146 PolarHBondContact O-N 2.72Å; K143-G146 PolarHBondContact O-N 2.69Å; G146-L149 PolarHBondContact O-N 3.44Å; G146-Q150 WeakPolarHBondContact O-CG 3.31Å; G146-Q150 PolarHBondContact O-N 2.82Å |
| 147 | V | 96.3 | Very high | 95.5 | Very high | 52 Ų | 52 | 59.4 Ų | 59.4 | 32% | 0.315 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 174.4 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | L32 K143 V145 L149 Q150 E151 | L32-V147 HydrophobicContact CD1-CG2 4.26Å; L32-V147 HydrophobicContact CD2-CG2 4.02Å; K143-V147 WeakPolarHBondContact O-CG2 3.41Å; K143-V147 PolarHBondContact O-N 2.94Å; V145-V147 VanDerWaalsContact C-N 3.33Å; V145-V147 PolarHBondContact O-N 3.39Å; V147-L149 PolarHBondContact O-N 3.35Å; V147-Q150 PolarHBondContact O-N 2.95Å; V147-E151 PolarHBondContact O-N 3.09Å |
| 148 | Q | 96.9 | Very high | 95.6 | Very high | 94 Ų | 94 | 56.9 Ų | 56.9 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 176.1 | -179.2 | 63.5 | 60.7 | 0 | 0 | 111.7 | E144 V145 Q150 E151 D152 | E144-Q148 PolarHBondContact O-N 3.34Å; V145-Q148 WeakPolarHBondContact O-CB 3.29Å; V145-Q148 PolarHBondContact O-N 3.05Å; V145-Q148 VanDerWaalsContact O-N 3.15Å; Q148-Q150 VanDerWaalsContact C-N 3.34Å; Q148-Q150 PolarHBondContact O-N 2.9Å; Q148-E151 PolarHBondContact O-N 3.35Å; Q148-D152 VanDerWaalsContact NE2-CG 3.33Å; Q148-D152 PolarHBondContact NE2-OD1 3.25Å; Q148-D152 PolarHBondContact NE2-OD2 2.94Å; Q148-D152 PolarHBondContact O-N 3.47Å |
| 149 | L | 96.6 | Very high | 95.8 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 176.5 | -69.2 | 163.7 | 0 | 0 | 0 | 112.1 | V145 G146 V147 D152 L153 Y267 D271 I275 | V145-L149 HydrophobicContact CG1-CD1 4.12Å; V145-L149 HydrophobicContact CG1-CG 4.48Å; V145-L149 WeakPolarHBondContact O-CG 3.49Å; V145-L149 PolarHBondContact O-N 3.39Å; G146-L149 PolarHBondContact O-N 3.44Å; V147-L149 PolarHBondContact O-N 3.35Å; L149-D152 PolarHBondContact O-N 3.44Å; L149-L153 WeakPolarHBondContact O-CB 3.42Å; L149-L153 PolarHBondContact O-N 2.96Å; L149-Y267 HydrophobicContact CB-CD2 4.19Å; L149-Y267 HydrophobicContact CB-CE2 3.94Å; L149-D271 HydrophobicContact CD1-CB 4.18Å; L149-I275 HydrophobicContact CD1-CD1 3.92Å; L149-I275 HydrophobicContact CD1-CG1 3.76Å |
| 150 | Q | 97 | Very high | 95.9 | Very high | 24 Ų | 24 | 59.4 Ų | 59.4 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 175.2 | -72.6 | -174.1 | -9.2 | 0 | 0 | 112.6 | L28 G146 V147 Q148 M154 Y267 | L28-Q150 HydrophobicContact CB-CG 4.19Å; L28-Q150 HydrophobicContact CD1-CB 4.07Å; L28-Q150 HydrophobicContact CD1-CG 4.11Å; L28-Q150 HydrophobicContact CD2-CG 4.13Å; L28-Q150 HydrophobicContact CG-CG 4.34Å; L28-Q150 PolarHBondContact O-NE2 2.57Å; L28-Q150 PolarHBondContact O-OE1 3.22Å; G146-Q150 WeakPolarHBondContact O-CG 3.31Å; G146-Q150 PolarHBondContact O-N 2.82Å; V147-Q150 PolarHBondContact O-N 2.95Å; Q148-Q150 VanDerWaalsContact C-N 3.34Å; Q148-Q150 PolarHBondContact O-N 2.9Å; Q150-M154 WeakPolarHBondContact O-CB 3.38Å; Q150-M154 VanDerWaalsContact O-CG 3.28Å; Q150-M154 WeakPolarHBondContact O-CG 3.39Å; Q150-M154 PolarHBondContact O-N 3.34Å; Q150-Y267 HydrophobicContact CG-CE2 4.15Å; Q150-Y267 WeakPolarHBondContact CG-OH 3.39Å; Q150-Y267 PolarHBondContact NE2-OH 3.23Å |
| 151 | E | 97.1 | Very high | 96 | Very high | 100 Ų | 100 | 55.9 Ų | 55.9 | 47% | 0.467 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 173.4 | -77.8 | -164.3 | -172.5 | 0 | 0 | 112.3 | V147 Q148 M154 K155 | V147-E151 PolarHBondContact O-N 3.09Å; Q148-E151 PolarHBondContact O-N 3.35Å; E151-M154 PolarHBondContact O-N 3.41Å; E151-K155 WeakPolarHBondContact O-CE 3.3Å; E151-K155 WeakPolarHBondContact O-CG 3.35Å; E151-K155 PolarHBondContact O-N 3.08Å; E151-K155 IonicContact OE2-NZ 2.67Å; E151-K155 PolarHBondContact OE2-NZ 3.01Å |
| 152 | D | 96.9 | Very high | 96 | Very high | 66 Ų | 66 | 53.9 Ų | 53.9 | 35% | 0.353 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.6 | -39.3 | -178 | -67.5 | -31.2 | 0 | 0 | 0 | 111.9 | Q148 L149 M154 K155 V156 | Q148-D152 VanDerWaalsContact NE2-CG 3.33Å; Q148-D152 PolarHBondContact NE2-OD1 3.25Å; Q148-D152 PolarHBondContact NE2-OD2 2.94Å; Q148-D152 PolarHBondContact O-N 3.47Å; L149-D152 PolarHBondContact O-N 3.44Å; D152-M154 VanDerWaalsContact C-N 3.3Å; D152-M154 PolarHBondContact O-N 3.38Å; D152-K155 WeakPolarHBondContact O-CB 3.36Å; D152-K155 PolarHBondContact O-N 3.11Å; D152-K155 VanDerWaalsContact O-N 3.12Å; D152-K155 WeakPolarHBondContact OD1-CD 3.46Å; D152-K155 WeakPolarHBondContact OD1-CE 3.47Å; D152-K155 IonicContact OD1-NZ 3.94Å; D152-K155 PolarHBondContact OD1-NZ 2.88Å; D152-V156 PolarHBondContact O-N 3.33Å |
| 153 | L | 97.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 169.1 | -178.9 | 62.3 | 0 | 0 | 0 | 111.6 | L28 L149 K155 V156 L157 C263 V264 Y267 Y268 | L28-L153 HydrophobicContact CD1-CD2 4.3Å; L28-L153 HydrophobicContact CD2-CD2 4.26Å; L149-L153 WeakPolarHBondContact O-CB 3.42Å; L149-L153 PolarHBondContact O-N 2.96Å; L153-K155 VanDerWaalsContact C-N 3.32Å; L153-K155 PolarHBondContact O-N 3.37Å; L153-V156 PolarHBondContact O-N 3.45Å; L153-L157 HydrophobicContact CG-CD1 4.48Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 2.89Å; L153-C263 HydrophobicContact CD1-CB 4.39Å; L153-V264 HydrophobicContact CD1-CB 4.45Å; L153-V264 HydrophobicContact CD1-CG2 3.82Å; L153-Y267 HydrophobicContact CD2-CD1 3.63Å; L153-Y267 HydrophobicContact CD2-CD2 4.48Å; L153-Y267 HydrophobicContact CD2-CE1 4.25Å; L153-Y267 HydrophobicContact CD2-CG 3.77Å; L153-Y268 HydrophobicContact CD2-CE2 4.43Å |
| 154 | M | 96.8 | Very high | 96.2 | Very high | 20 Ų | 20 | 52 Ų | 52 | 10% | 0.099 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.6 | -29.9 | 176.3 | -75.4 | -61.1 | -35 | 0 | 0 | 113 | V21 R25 L28 Q150 E151 D152 L157 N158 | V21-M154 HydrophobicContact CG1-CE 3.78Å; R25-M154 HydrophobicContact CB-SD 4.19Å; L28-M154 HydrophobicContact CD1-CG 4.03Å; L28-M154 HydrophobicContact CD1-SD 4.19Å; Q150-M154 WeakPolarHBondContact O-CB 3.38Å; Q150-M154 VanDerWaalsContact O-CG 3.28Å; Q150-M154 WeakPolarHBondContact O-CG 3.39Å; Q150-M154 PolarHBondContact O-N 3.34Å; E151-M154 PolarHBondContact O-N 3.41Å; D152-M154 VanDerWaalsContact C-N 3.3Å; D152-M154 PolarHBondContact O-N 3.38Å; M154-L157 HydrophobicContact CE-CD1 4.47Å; M154-L157 HydrophobicContact SD-CD1 4.08Å; M154-N158 PolarHBondContact O-N 2.75Å; M154-N158 VanDerWaalsContact O-N 3.17Å; M154-N158 PolarHBondContact O-ND2 3.22Å |
| 155 | K | 97.1 | Very high | 96.1 | Very high | 83 Ų | 83 | 53 Ų | 53 | 36% | 0.361 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.4 | -50 | 173.4 | -70.6 | 159.2 | -151.5 | 161 | 0 | 110.5 | E151 D152 L153 L157 N158 E159 | E151-K155 WeakPolarHBondContact O-CE 3.3Å; E151-K155 WeakPolarHBondContact O-CG 3.35Å; E151-K155 PolarHBondContact O-N 3.08Å; E151-K155 IonicContact OE2-NZ 2.67Å; E151-K155 PolarHBondContact OE2-NZ 3.01Å; D152-K155 WeakPolarHBondContact O-CB 3.36Å; D152-K155 PolarHBondContact O-N 3.11Å; D152-K155 VanDerWaalsContact O-N 3.12Å; D152-K155 WeakPolarHBondContact OD1-CD 3.46Å; D152-K155 WeakPolarHBondContact OD1-CE 3.47Å; D152-K155 IonicContact OD1-NZ 3.94Å; D152-K155 PolarHBondContact OD1-NZ 2.88Å; L153-K155 VanDerWaalsContact C-N 3.32Å; L153-K155 PolarHBondContact O-N 3.37Å; K155-L157 VanDerWaalsContact C-N 3.33Å; K155-L157 PolarHBondContact O-N 2.98Å; K155-N158 WeakPolarHBondContact O-CB 3.38Å; K155-N158 PolarHBondContact O-N 2.96Å; K155-E159 PolarHBondContact O-N 3Å |
| 156 | V | 97.1 | Very high | 96.1 | Very high | 31 Ų | 31 | 51.9 Ų | 51.9 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 179.3 | -179.8 | 0 | 0 | 0 | 0 | 112.3 | D152 L153 N158 E159 L160 T260 C263 | D152-V156 PolarHBondContact O-N 3.33Å; L153-V156 PolarHBondContact O-N 3.45Å; V156-N158 PolarHBondContact O-N 3.48Å; V156-E159 PolarHBondContact O-N 3.44Å; V156-L160 PolarHBondContact O-N 2.82Å; V156-T260 HydrophobicContact CG1-CG2 4.12Å; V156-T260 WeakPolarHBondContact CG1-OG1 3.46Å; V156-C263 HydrophobicContact CG1-CB 4.4Å |
| 157 | L | 95.8 | Very high | 96.1 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 173.8 | -68 | 169.5 | 0 | 0 | 0 | 112.7 | Y17 V21 V24 L153 M154 K155 E159 Y161 T260 V264 | Y17-L157 WeakPolarHBondContact OH-CA 3.49Å; Y17-L157 WeakPolarHBondContact OH-CD2 3.46Å; Y17-L157 PolarHBondContact OH-O 3.3Å; V21-L157 HydrophobicContact CG2-CB 4.3Å; V21-L157 HydrophobicContact CG2-CD2 4.41Å; V24-L157 HydrophobicContact CG1-CD1 4.02Å; L153-L157 HydrophobicContact CG-CD1 4.48Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 2.89Å; M154-L157 HydrophobicContact CE-CD1 4.47Å; M154-L157 HydrophobicContact SD-CD1 4.08Å; K155-L157 VanDerWaalsContact C-N 3.33Å; K155-L157 PolarHBondContact O-N 2.98Å; L157-E159 VanDerWaalsContact C-N 3.35Å; L157-Y161 PolarHBondContact O-N 3.28Å; L157-T260 HydrophobicContact CD2-CG2 3.75Å; L157-V264 HydrophobicContact CD2-CG2 4.36Å |
| 158 | N | 95 | Very high | 96 | Very high | 86 Ų | 86 | 51.8 Ų | 51.8 | 46% | 0.46 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.1 | -32.5 | 175.4 | -71.9 | -55.5 | 0 | 0 | 0 | 112.3 | M154 K155 V156 Y161 T162 | M154-N158 PolarHBondContact O-N 2.75Å; M154-N158 VanDerWaalsContact O-N 3.17Å; M154-N158 PolarHBondContact O-ND2 3.22Å; K155-N158 WeakPolarHBondContact O-CB 3.38Å; K155-N158 PolarHBondContact O-N 2.96Å; V156-N158 PolarHBondContact O-N 3.48Å; N158-Y161 WeakPolarHBondContact O-CB 3.47Å; N158-T162 PolarHBondContact O-N 3.12Å |
| 159 | E | 96.2 | Very high | 95.8 | Very high | 120 Ų | 120 | 52.1 Ų | 52.1 | 56% | 0.561 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64.6 | -48.5 | 174.5 | -73.3 | 172.2 | -165.6 | 0 | 0 | 111.1 | K155 V156 L157 Y161 T162 V163 | K155-E159 PolarHBondContact O-N 3Å; V156-E159 PolarHBondContact O-N 3.44Å; L157-E159 VanDerWaalsContact C-N 3.35Å; E159-Y161 VanDerWaalsContact C-N 3.25Å; E159-Y161 PolarHBondContact O-N 2.86Å; E159-T162 PolarHBondContact O-N 2.94Å; E159-T162 PolarHBondContact O-OG1 3.26Å; E159-V163 PolarHBondContact O-N 3.22Å; E159-V163 VanDerWaalsContact O-N 3.13Å |
| 160 | L | 96.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.3 | -39.6 | 178.1 | -175.5 | 60.8 | 0 | 0 | 0 | 112.6 | Y17 V156 T162 V163 M164 Y253 A256 L257 T260 | Y17-L160 HydrophobicContact CE2-CD2 3.88Å; V156-L160 PolarHBondContact O-N 2.82Å; L160-T162 VanDerWaalsContact C-N 3.33Å; L160-T162 PolarHBondContact O-N 3.45Å; L160-V163 PolarHBondContact O-N 3.16Å; L160-M164 VanDerWaalsContact O-CB 3.29Å; L160-M164 WeakPolarHBondContact O-CB 3.13Å; L160-M164 PolarHBondContact O-N 2.98Å; L160-Y253 HydrophobicContact CD1-CD2 3.79Å; L160-Y253 HydrophobicContact CD1-CE2 3.61Å; L160-Y253 HydrophobicContact CG-CE2 4.3Å; L160-A256 HydrophobicContact CD1-CB 3.93Å; L160-L257 HydrophobicContact CD1-CB 4.09Å; L160-L257 HydrophobicContact CD2-CD1 3.86Å; L160-T260 HydrophobicContact CD2-CG2 3.81Å |
| 161 | Y | 94.8 | Very high | 95.7 | Very high | 59 Ų | 59 | 55.4 Ų | 55.4 | 23% | 0.231 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.8 | -46.4 | 173 | -179.1 | -88.8 | 0 | 0 | 0 | 112.4 | V14 Y17 E18 L157 N158 E159 K165 | V14-Y161 HydrophobicContact CG1-CE2 3.79Å; Y17-Y161 HydrophobicContact CD1-CD2 4.09Å; Y17-Y161 HydrophobicContact CE1-CD2 4.41Å; E18-Y161 HydrophobicContact CG-CD2 4.36Å; E18-Y161 HydrophobicContact CG-CE2 3.72Å; E18-Y161 VanDerWaalsContact OE1-CE2 3.23Å; E18-Y161 WeakPolarHBondContact OE1-CE2 3.49Å; E18-Y161 PolarHBondContact OE1-OH 2.98Å; L157-Y161 PolarHBondContact O-N 3.28Å; N158-Y161 WeakPolarHBondContact O-CB 3.47Å; E159-Y161 VanDerWaalsContact C-N 3.25Å; E159-Y161 PolarHBondContact O-N 2.86Å; Y161-K165 HydrophobicContact CE1-CD 4.11Å; Y161-K165 VanDerWaalsContact O-CB 3.29Å; Y161-K165 WeakPolarHBondContact O-CB 3.27Å; Y161-K165 PolarHBondContact O-N 3.05Å |
| 162 | T | 95.6 | Very high | 95.5 | Very high | 79 Ų | 79 | 53.9 Ų | 53.9 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69 | -38.7 | -178 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | N158 E159 L160 T166 | N158-T162 PolarHBondContact O-N 3.12Å; E159-T162 PolarHBondContact O-N 2.94Å; E159-T162 PolarHBondContact O-OG1 3.26Å; L160-T162 VanDerWaalsContact C-N 3.33Å; L160-T162 PolarHBondContact O-N 3.45Å; T162-T166 WeakPolarHBondContact O-CB 2.94Å; T162-T166 PolarHBondContact O-N 3.43Å; T162-T166 PolarHBondContact O-OG1 2.88Å |
| 163 | V | 96.3 | Very high | 95.4 | Very high | 35 Ų | 35 | 54.4 Ų | 54.4 | 21% | 0.212 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.1 | -44.2 | 178.2 | -172.2 | 0 | 0 | 0 | 0 | 110.6 | E159 L160 K165 T166 Y167 E252 A256 | E159-V163 PolarHBondContact O-N 3.22Å; E159-V163 VanDerWaalsContact O-N 3.13Å; L160-V163 PolarHBondContact O-N 3.16Å; V163-K165 PolarHBondContact O-N 3.07Å; V163-T166 WeakPolarHBondContact O-CB 3.35Å; V163-T166 PolarHBondContact O-N 3.28Å; V163-Y167 PolarHBondContact O-N 2.68Å; V163-E252 HydrophobicContact CG1-CB 3.97Å; V163-A256 HydrophobicContact CB-CB 4.38Å; V163-A256 HydrophobicContact CG1-CB 4.38Å; V163-A256 HydrophobicContact CG2-CB 4.25Å |
| 164 | M | 94.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56 | -50 | 174.8 | -178.1 | 176.5 | 58.7 | 0 | 0 | 111.8 | I13 V14 Y17 L160 T166 Y167 H168 Y253 | I13-M164 HydrophobicContact CG2-SD 3.75Å; V14-M164 HydrophobicContact CG2-CE 4.15Å; Y17-M164 HydrophobicContact CD1-CE 4.09Å; Y17-M164 HydrophobicContact CG-CE 4.02Å; L160-M164 VanDerWaalsContact O-CB 3.29Å; L160-M164 WeakPolarHBondContact O-CB 3.13Å; L160-M164 PolarHBondContact O-N 2.98Å; M164-T166 VanDerWaalsContact C-N 3.3Å; M164-T166 PolarHBondContact O-N 2.86Å; M164-Y167 WeakPolarHBondContact O-CB 3.19Å; M164-Y167 PolarHBondContact O-N 3.43Å; M164-H168 VanDerWaalsContact CG-CE1 3.5Å; M164-H168 WeakPolarHBondContact CG-CE1 3.11Å; M164-H168 PolarHBondContact O-N 3.49Å; M164-Y253 HydrophobicContact CB-CD2 3.81Å; M164-Y253 HydrophobicContact CB-CE2 3.55Å; M164-Y253 HydrophobicContact CG-CD2 4.41Å; M164-Y253 HydrophobicContact CG-CE2 3.85Å; M164-Y253 HydrophobicContact SD-CE2 4.38Å |
| 165 | K | 93.8 | Very high | 95.1 | Very high | 106 Ų | 106 | 57.1 Ų | 57.1 | 46% | 0.461 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 178.7 | -172.2 | 172.4 | -174.7 | 169.5 | 0 | 112.3 | Y161 V163 H168 M169 | Y161-K165 HydrophobicContact CE1-CD 4.11Å; Y161-K165 VanDerWaalsContact O-CB 3.29Å; Y161-K165 WeakPolarHBondContact O-CB 3.27Å; Y161-K165 PolarHBondContact O-N 3.05Å; V163-K165 PolarHBondContact O-N 3.07Å; K165-H168 PolarHBondContact O-N 3.09Å; K165-M169 PolarHBondContact O-N 3.3Å |
| 166 | T | 94.7 | Very high | 94.9 | Very high | 56 Ų | 56 | 56.7 Ų | 56.7 | 34% | 0.344 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 175.3 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | T162 V163 M164 Y170 | T162-T166 WeakPolarHBondContact O-CB 2.94Å; T162-T166 PolarHBondContact O-N 3.43Å; T162-T166 PolarHBondContact O-OG1 2.88Å; V163-T166 WeakPolarHBondContact O-CB 3.35Å; V163-T166 PolarHBondContact O-N 3.28Å; M164-T166 VanDerWaalsContact C-N 3.3Å; M164-T166 PolarHBondContact O-N 2.86Å; T166-Y170 HydrophobicContact CG2-CD2 3.85Å; T166-Y170 HydrophobicContact CG2-CE2 3.47Å; T166-Y170 VanDerWaalsContact CG2-CE2 3.47Å; T166-Y170 VanDerWaalsContact O-CD2 3.27Å; T166-Y170 WeakPolarHBondContact O-CD2 3.46Å; T166-Y170 PolarHBondContact O-N 2.57Å; T166-Y170 VanDerWaalsContact O-N 3.17Å |
| 167 | Y | 95.8 | Very high | 94.7 | Very high | 42 Ų | 42 | 55.7 Ų | 55.7 | 17% | 0.165 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 171.6 | 162.1 | -116.4 | 0 | 0 | 0 | 112.1 | V163 M164 M169 Y170 N171 R250 Y253 | V163-Y167 PolarHBondContact O-N 2.68Å; M164-Y167 WeakPolarHBondContact O-CB 3.19Å; M164-Y167 PolarHBondContact O-N 3.43Å; Y167-M169 VanDerWaalsContact C-N 3.31Å; Y167-M169 PolarHBondContact O-N 3.45Å; Y167-Y170 PolarHBondContact O-N 3.08Å; Y167-N171 HydrophobicContact CD2-CB 4.28Å; Y167-N171 HydrophobicContact CE2-CB 3.86Å; Y167-N171 WeakPolarHBondContact O-CB 3.29Å; Y167-N171 PolarHBondContact O-N 2.92Å; Y167-R250 HydrophobicContact CD2-CB 3.65Å; Y167-R250 HydrophobicContact CD2-CG 4.2Å; Y167-R250 HydrophobicContact CE2-CB 3.59Å; Y167-R250 HydrophobicContact CE2-CG 3.8Å; Y167-R250 HydrophobicContact CG-CB 4.5Å; Y167-Y253 AromaticContact CD1-CD1 3.96Å; Y167-Y253 HydrophobicContact CD1-CD1 3.96Å; Y167-Y253 HydrophobicContact CE1-CD1 4.47Å |
| 168 | H | 94.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 179.1 | -68.1 | 171.2 | 0 | 0 | 0 | 112.9 | D10 M164 K165 T172 | D10-H168 HydrophobicContact CB-CB 4.33Å; D10-H168 WeakPolarHBondContact OD1-CB 3.35Å; D10-H168 IonicContact OD1-CE1 2.62Å; D10-H168 IonicContact OD1-CG 2.91Å; D10-H168 IonicContact OD1-ND1 3.4Å; D10-H168 PolarHBondContact OD1-ND1 2.93Å; M164-H168 VanDerWaalsContact CG-CE1 3.5Å; M164-H168 WeakPolarHBondContact CG-CE1 3.11Å; M164-H168 PolarHBondContact O-N 3.49Å; K165-H168 PolarHBondContact O-N 3.09Å; H168-T172 WeakPolarHBondContact O-CB 3.49Å; H168-T172 PolarHBondContact O-N 3.25Å; H168-T172 PolarHBondContact O-OG1 3Å |
| 169 | M | 93.9 | Very high | 94.5 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 50% | 0.498 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.3 | -57.1 | 174.3 | -177.4 | 176.1 | 65.5 | 0 | 0 | 111.7 | K165 Y167 N171 T172 D173 | K165-M169 PolarHBondContact O-N 3.3Å; Y167-M169 VanDerWaalsContact C-N 3.31Å; Y167-M169 PolarHBondContact O-N 3.45Å; M169-N171 VanDerWaalsContact C-N 3.33Å; M169-N171 PolarHBondContact O-N 2.8Å; M169-T172 WeakPolarHBondContact O-CB 3.4Å; M169-T172 PolarHBondContact O-N 3.4Å; M169-D173 PolarHBondContact O-N 2.91Å |
| 170 | Y | 95.6 | Very high | 94.3 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 33% | 0.329 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.9 | -32.4 | -178.2 | -66.6 | -48.6 | 0 | 0 | 0 | 113.3 | T166 Y167 D173 S174 K245 A249 | T166-Y170 HydrophobicContact CG2-CD2 3.85Å; T166-Y170 HydrophobicContact CG2-CE2 3.47Å; T166-Y170 VanDerWaalsContact CG2-CE2 3.47Å; T166-Y170 VanDerWaalsContact O-CD2 3.27Å; T166-Y170 WeakPolarHBondContact O-CD2 3.46Å; T166-Y170 PolarHBondContact O-N 2.57Å; T166-Y170 VanDerWaalsContact O-N 3.17Å; Y167-Y170 PolarHBondContact O-N 3.08Å; Y170-D173 PolarHBondContact O-N 3.4Å; Y170-S174 WeakPolarHBondContact O-CB 3.38Å; Y170-S174 PolarHBondContact O-N 3.17Å; Y170-K245 HydrophobicContact CD1-CB 4.36Å; Y170-K245 HydrophobicContact CG-CB 4.3Å; Y170-A249 HydrophobicContact CD2-CB 3.76Å; Y170-A249 HydrophobicContact CE2-CB 4.48Å |
| 171 | N | 94.3 | Very high | 94 | Very high | 53 Ų | 53 | 57.3 Ų | 57.3 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 173.7 | -173.7 | 49.9 | 0 | 0 | 0 | 111.3 | Y167 M169 D173 S174 I175 | Y167-N171 HydrophobicContact CD2-CB 4.28Å; Y167-N171 HydrophobicContact CE2-CB 3.86Å; Y167-N171 WeakPolarHBondContact O-CB 3.29Å; Y167-N171 PolarHBondContact O-N 2.92Å; M169-N171 VanDerWaalsContact C-N 3.33Å; M169-N171 PolarHBondContact O-N 2.8Å; N171-D173 PolarHBondContact O-N 3.08Å; N171-S174 WeakPolarHBondContact O-CB 3.44Å; N171-S174 PolarHBondContact O-N 3.4Å; N171-I175 WeakPolarHBondContact O-CG1 3.39Å; N171-I175 PolarHBondContact O-N 2.81Å |
| 172 | T | 93.8 | Very high | 93.9 | Very high | 69 Ų | 69 | 59.9 Ų | 59.9 | 42% | 0.423 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 173.9 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | H168 M169 S174 I175 N176 | H168-T172 WeakPolarHBondContact O-CB 3.49Å; H168-T172 PolarHBondContact O-N 3.25Å; H168-T172 PolarHBondContact O-OG1 3Å; M169-T172 WeakPolarHBondContact O-CB 3.4Å; M169-T172 PolarHBondContact O-N 3.4Å; T172-S174 VanDerWaalsContact C-N 3.34Å; T172-S174 PolarHBondContact O-N 3.31Å; T172-I175 PolarHBondContact O-N 3.03Å; T172-N176 WeakPolarHBondContact O-CB 3.38Å; T172-N176 VanDerWaalsContact O-CG 3.22Å; T172-N176 PolarHBondContact O-N 3.3Å; T172-N176 PolarHBondContact O-ND2 2.89Å |
| 173 | D | 93.7 | Very high | 93.6 | Very high | 76 Ų | 76 | 61.1 Ų | 61.1 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.3 | -30.1 | 175.9 | -94.9 | -11 | 0 | 0 | 0 | 114 | M169 Y170 N171 A177 N242 | M169-D173 PolarHBondContact O-N 2.91Å; Y170-D173 PolarHBondContact O-N 3.4Å; N171-D173 PolarHBondContact O-N 3.08Å; D173-A177 WeakPolarHBondContact O-CB 3.46Å; D173-A177 PolarHBondContact O-N 2.93Å; D173-A177 VanDerWaalsContact O-N 3.07Å; D173-N242 PolarHBondContact O-ND2 3.25Å |
| 174 | S | 95 | Very high | 93.1 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.9 | -48.1 | 171.3 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | Y170 N171 T172 N176 A177 E178 K243 | Y170-S174 WeakPolarHBondContact O-CB 3.38Å; Y170-S174 PolarHBondContact O-N 3.17Å; N171-S174 WeakPolarHBondContact O-CB 3.44Å; N171-S174 PolarHBondContact O-N 3.4Å; T172-S174 VanDerWaalsContact C-N 3.34Å; T172-S174 PolarHBondContact O-N 3.31Å; S174-N176 PolarHBondContact O-N 3.16Å; S174-A177 PolarHBondContact O-N 2.82Å; S174-E178 PolarHBondContact O-N 3.29Å; S174-K243 WeakPolarHBondContact OG-CA 3.46Å |
| 175 | I | 93.3 | Very high | 92.6 | Very high | 77 Ų | 77 | 62.2 Ų | 62.2 | 40% | 0.395 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 177 | -66.3 | 163.4 | 0 | 0 | 0 | 110.7 | N171 T172 A177 E178 S179 | N171-I175 WeakPolarHBondContact O-CG1 3.39Å; N171-I175 PolarHBondContact O-N 2.81Å; T172-I175 PolarHBondContact O-N 3.03Å; I175-A177 VanDerWaalsContact C-N 3.29Å; I175-A177 PolarHBondContact O-N 3.3Å; I175-E178 WeakPolarHBondContact O-CB 3.42Å; I175-E178 PolarHBondContact O-N 2.98Å; I175-E178 VanDerWaalsContact O-N 3.14Å; I175-S179 PolarHBondContact O-N 3.34Å; I175-S179 PolarHBondContact O-OG 3.27Å |
| 176 | N | 93.1 | Very high | 92.3 | Very high | 74 Ų | 74 | 63.3 Ų | 63.3 | 40% | 0.396 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -31.3 | 176.8 | -76.3 | -30.4 | 0 | 0 | 0 | 113.3 | T172 S174 K180 | T172-N176 WeakPolarHBondContact O-CB 3.38Å; T172-N176 VanDerWaalsContact O-CG 3.22Å; T172-N176 PolarHBondContact O-N 3.3Å; T172-N176 PolarHBondContact O-ND2 2.89Å; S174-N176 PolarHBondContact O-N 3.16Å; N176-K180 VanDerWaalsContact O-CD 3.32Å; N176-K180 WeakPolarHBondContact O-CD 3.44Å; N176-K180 WeakPolarHBondContact O-CG 3.5Å |
| 177 | A | 92.9 | Very high | 91.7 | Very high | 10 Ų | 10 | 63.6 Ų | 63.6 | 8% | 0.083 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74.3 | -40.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D173 S174 I175 S179 K180 L181 Y239 N242 | D173-A177 WeakPolarHBondContact O-CB 3.46Å; D173-A177 PolarHBondContact O-N 2.93Å; D173-A177 VanDerWaalsContact O-N 3.07Å; S174-A177 PolarHBondContact O-N 2.82Å; I175-A177 VanDerWaalsContact C-N 3.29Å; I175-A177 PolarHBondContact O-N 3.3Å; A177-S179 PolarHBondContact O-N 2.91Å; A177-K180 PolarHBondContact O-N 3.48Å; A177-L181 PolarHBondContact O-N 3.03Å; A177-Y239 HydrophobicContact CB-CD2 4.38Å; A177-N242 HydrophobicContact CB-CB 4.37Å |
| 178 | E | 93.1 | Very high | 90.9 | Very high | 54 Ų | 54 | 63.5 Ų | 63.5 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 178.2 | -160.1 | 175.6 | 122.8 | 0 | 0 | 112.4 | S174 I175 K180 L181 K182 Y239 | S174-E178 PolarHBondContact O-N 3.29Å; I175-E178 WeakPolarHBondContact O-CB 3.42Å; I175-E178 PolarHBondContact O-N 2.98Å; I175-E178 VanDerWaalsContact O-N 3.14Å; E178-K180 VanDerWaalsContact C-N 3.32Å; E178-K180 PolarHBondContact O-N 3.08Å; E178-L181 PolarHBondContact O-N 3.45Å; E178-K182 HydrophobicContact CG-CD 4.42Å; E178-K182 WeakPolarHBondContact O-CG 3.4Å; E178-K182 PolarHBondContact O-N 3.03Å; E178-K182 VanDerWaalsContact OE1-CE 3.3Å; E178-K182 WeakPolarHBondContact OE1-CE 3.38Å; E178-K182 IonicContact OE1-NZ 2.99Å; E178-K182 PolarHBondContact OE1-NZ 3.2Å; E178-Y239 HydrophobicContact CB-CD2 3.75Å; E178-Y239 HydrophobicContact CB-CE2 3.45Å; E178-Y239 VanDerWaalsContact CB-CE2 3.45Å; E178-Y239 HydrophobicContact CG-CD2 4.14Å; E178-Y239 HydrophobicContact CG-CE2 3.52Å; E178-Y239 WeakPolarHBondContact OE2-CE2 3.48Å; E178-Y239 PolarHBondContact OE2-OH 2.97Å |
| 179 | S | 93 | Very high | 90.1 | Very high | 73 Ų | 73 | 69 Ų | 69 | 51% | 0.51 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 175.3 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | I175 A177 K182 E183 | I175-S179 PolarHBondContact O-N 3.34Å; I175-S179 PolarHBondContact O-OG 3.27Å; A177-S179 PolarHBondContact O-N 2.91Å; S179-K182 PolarHBondContact O-N 2.77Å; S179-E183 PolarHBondContact O-N 3.28Å |
| 180 | K | 92.3 | Very high | 89.2 | Confident | 122 Ų | 122 | 70.6 Ų | 70.6 | 53% | 0.53 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71.5 | -32.5 | 179.4 | -68.9 | 168.8 | -172 | 170.4 | 0 | 112.2 | N176 A177 E178 A184 R235 | N176-K180 VanDerWaalsContact O-CD 3.32Å; N176-K180 WeakPolarHBondContact O-CD 3.44Å; N176-K180 WeakPolarHBondContact O-CG 3.5Å; A177-K180 PolarHBondContact O-N 3.48Å; E178-K180 VanDerWaalsContact C-N 3.32Å; E178-K180 PolarHBondContact O-N 3.08Å; K180-A184 PolarHBondContact O-N 2.93Å; K180-R235 WeakPolarHBondContact O-CD 3.35Å |
| 181 | L | 90.9 | Very high | 87.8 | Confident | 6 Ų | 6 | 70.3 Ų | 70.3 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.9 | -52.6 | 170.7 | 172 | 61 | 0 | 0 | 0 | 111.1 | A177 E178 E183 A184 E185 K232 R235 Q236 Y239 | A177-L181 PolarHBondContact O-N 3.03Å; E178-L181 PolarHBondContact O-N 3.45Å; L181-E183 PolarHBondContact O-N 3.3Å; L181-A184 WeakPolarHBondContact O-CA 3.29Å; L181-A184 WeakPolarHBondContact O-CB 3.5Å; L181-A184 PolarHBondContact O-N 2.8Å; L181-E185 HydrophobicContact CD1-CG 4.21Å; L181-E185 WeakPolarHBondContact O-CG 3.3Å; L181-E185 PolarHBondContact O-N 2.96Å; L181-K232 HydrophobicContact CD1-CG 4.21Å; L181-R235 HydrophobicContact CB-CB 4.47Å; L181-R235 HydrophobicContact CD1-CB 4.37Å; L181-Q236 HydrophobicContact CD1-CB 4.18Å; L181-Y239 HydrophobicContact CD2-CD1 3.45Å; L181-Y239 VanDerWaalsContact CD2-CD1 3.45Å; L181-Y239 HydrophobicContact CD2-CE1 4.12Å; L181-Y239 HydrophobicContact CD2-CG 3.83Å |
| 182 | K | 91.3 | Very high | 86.2 | Confident | 113 Ų | 113 | 73 Ų | 73 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60 | -32 | 177.9 | -71.2 | 176.4 | -176.4 | 171.5 | 0 | 113.1 | E178 S179 E185 K186 | E178-K182 HydrophobicContact CG-CD 4.42Å; E178-K182 WeakPolarHBondContact O-CG 3.4Å; E178-K182 PolarHBondContact O-N 3.03Å; E178-K182 VanDerWaalsContact OE1-CE 3.3Å; E178-K182 WeakPolarHBondContact OE1-CE 3.38Å; E178-K182 IonicContact OE1-NZ 2.99Å; E178-K182 PolarHBondContact OE1-NZ 3.2Å; S179-K182 PolarHBondContact O-N 2.77Å; K182-E185 WeakPolarHBondContact CA-OE2 3.48Å; K182-K186 VanDerWaalsContact O-CB 3.27Å; K182-K186 WeakPolarHBondContact O-CB 3.5Å; K182-K186 PolarHBondContact O-N 3.41Å |
| 183 | E | 89.3 | Confident | 84.4 | Confident | 105 Ų | 105 | 72 Ų | 72 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.8 | -36.4 | 170.7 | -156.2 | -160.5 | 157.2 | 0 | 0 | 112.4 | S179 L181 Q187 | S179-E183 PolarHBondContact O-N 3.28Å; L181-E183 PolarHBondContact O-N 3.3Å; E183-Q187 WeakPolarHBondContact O-CB 3.43Å; E183-Q187 WeakPolarHBondContact O-CG 3.2Å; E183-Q187 PolarHBondContact O-N 3.47Å; E183-Q187 PolarHBondContact OE1-NE2 2.84Å |
| 184 | A | 85.9 | Confident | 82.5 | Confident | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.008 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66 | -45.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | K180 L181 Q187 E188 K232 | K180-A184 PolarHBondContact O-N 2.93Å; L181-A184 WeakPolarHBondContact O-CA 3.29Å; L181-A184 WeakPolarHBondContact O-CB 3.5Å; L181-A184 PolarHBondContact O-N 2.8Å; A184-Q187 WeakPolarHBondContact O-CB 3.39Å; A184-Q187 PolarHBondContact O-N 2.66Å; A184-Q187 VanDerWaalsContact O-N 3.1Å; A184-E188 WeakPolarHBondContact O-CB 3.45Å; A184-E188 PolarHBondContact O-N 3.48Å; A184-K232 HydrophobicContact CB-CB 4.06Å; A184-K232 HydrophobicContact CB-CG 4.5Å |
| 185 | E | 85.8 | Confident | 80.3 | Confident | 60 Ų | 60 | 83.3 Ų | 83.3 | 28% | 0.28 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.3 | -47.9 | 176.6 | -66.3 | 169.5 | 142.3 | 0 | 0 | 110 | L181 K182 Q187 E188 E189 K232 | L181-E185 HydrophobicContact CD1-CG 4.21Å; L181-E185 WeakPolarHBondContact O-CG 3.3Å; L181-E185 PolarHBondContact O-N 2.96Å; K182-E185 WeakPolarHBondContact CA-OE2 3.48Å; E185-Q187 PolarHBondContact O-N 3.27Å; E185-E188 WeakPolarHBondContact O-CB 3.5Å; E185-E188 PolarHBondContact O-N 3.42Å; E185-E188 VanDerWaalsContact O-N 3.14Å; E185-E189 WeakPolarHBondContact O-CG 3.39Å; E185-E189 PolarHBondContact O-N 3.28Å; E185-K232 HydrophobicContact CG-CD 4.09Å; E185-K232 HydrophobicContact CG-CG 4.32Å |
| 186 | K | 86.8 | Confident | 78 | Confident | 128 Ų | 128 | 84.8 Ų | 84.8 | 56% | 0.557 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.6 | -16.6 | 175 | -165.5 | 168.6 | -171.9 | 170.1 | 0 | 114.2 | K182 K190 | K182-K186 VanDerWaalsContact O-CB 3.27Å; K182-K186 WeakPolarHBondContact O-CB 3.5Å; K182-K186 PolarHBondContact O-N 3.41Å; K186-K190 VanDerWaalsContact O-CD 3.25Å; K186-K190 WeakPolarHBondContact O-CD 3.34Å; K186-K190 WeakPolarHBondContact O-CG 3.29Å |
| 187 | Q | 81.4 | Confident | 75.8 | Confident | 62 Ų | 62 | 92.4 Ų | 92.4 | 29% | 0.29 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -84.8 | -41.6 | 171 | -76 | 164.5 | 8.2 | 0 | 0 | 111 | E183 A184 E185 K190 Q191 | E183-Q187 WeakPolarHBondContact O-CB 3.43Å; E183-Q187 WeakPolarHBondContact O-CG 3.2Å; E183-Q187 PolarHBondContact O-N 3.47Å; E183-Q187 PolarHBondContact OE1-NE2 2.84Å; A184-Q187 WeakPolarHBondContact O-CB 3.39Å; A184-Q187 PolarHBondContact O-N 2.66Å; A184-Q187 VanDerWaalsContact O-N 3.1Å; E185-Q187 PolarHBondContact O-N 3.27Å; Q187-K190 PolarHBondContact O-N 2.99Å; Q187-Q191 PolarHBondContact O-N 3.01Å |
| 188 | E | 79.7 | Confident | 73.6 | Confident | 41 Ų | 41 | 100.4 Ų | 100.4 | 19% | 0.192 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 173.2 | -178.8 | -165.7 | -121 | 0 | 0 | 111.7 | A184 E185 K190 Q191 M192 I228 K232 | A184-E188 WeakPolarHBondContact O-CB 3.45Å; A184-E188 PolarHBondContact O-N 3.48Å; E185-E188 WeakPolarHBondContact O-CB 3.5Å; E185-E188 PolarHBondContact O-N 3.42Å; E185-E188 VanDerWaalsContact O-N 3.14Å; E188-K190 VanDerWaalsContact C-N 3.29Å; E188-K190 PolarHBondContact O-N 3.19Å; E188-Q191 WeakPolarHBondContact O-CB 3.46Å; E188-Q191 PolarHBondContact O-N 3.09Å; E188-M192 HydrophobicContact CG-CG 4.45Å; E188-M192 WeakPolarHBondContact O-CG 3.17Å; E188-M192 PolarHBondContact O-N 3.42Å; E188-I228 HydrophobicContact CB-CG2 3.97Å; E188-K232 WeakPolarHBondContact OE1-CD 3.47Å; E188-K232 IonicContact OE1-NZ 3.71Å; E188-K232 PolarHBondContact OE1-NZ 3.44Å; E188-K232 WeakPolarHBondContact OE2-CD 3.49Å; E188-K232 IonicContact OE2-NZ 2.72Å; E188-K232 PolarHBondContact OE2-NZ 2.85Å |
| 189 | E | 77.6 | Confident | 71.3 | Confident | 132 Ų | 132 | 106.3 Ų | 106.3 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -54.3 | -43.1 | 175.2 | -73.7 | 177.9 | 158.5 | 0 | 0 | 112.3 | E185 Q191 M192 G193 | E185-E189 WeakPolarHBondContact O-CG 3.39Å; E185-E189 PolarHBondContact O-N 3.28Å; E189-Q191 VanDerWaalsContact C-N 3.33Å; E189-Q191 PolarHBondContact O-N 3.1Å; E189-M192 PolarHBondContact O-N 3.42Å; E189-G193 PolarHBondContact O-N 3.44Å |
| 190 | K | 74.9 | Confident | 68.9 | Low | 133 Ų | 133 | 110.5 Ų | 110.5 | 58% | 0.578 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.2 | -32.9 | 176.8 | -75.8 | 173.9 | -176.1 | 178.5 | 0 | 112.9 | K186 Q187 E188 R194 | K186-K190 VanDerWaalsContact O-CD 3.25Å; K186-K190 WeakPolarHBondContact O-CD 3.34Å; K186-K190 WeakPolarHBondContact O-CG 3.29Å; Q187-K190 PolarHBondContact O-N 2.99Å; E188-K190 VanDerWaalsContact C-N 3.29Å; E188-K190 PolarHBondContact O-N 3.19Å; K190-R194 WeakPolarHBondContact O-CG 3.2Å |
| 191 | Q | 65.6 | Low | 66.5 | Low | 79 Ų | 79 | 113.5 Ų | 113.5 | 37% | 0.369 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73.6 | -42.7 | 177.2 | -148.8 | 81.5 | -1.5 | 0 | 0 | 110.8 | Q187 E188 E189 V225 I228 | Q187-Q191 PolarHBondContact O-N 3.01Å; E188-Q191 WeakPolarHBondContact O-CB 3.46Å; E188-Q191 PolarHBondContact O-N 3.09Å; E189-Q191 VanDerWaalsContact C-N 3.33Å; E189-Q191 PolarHBondContact O-N 3.1Å; Q191-V225 HydrophobicContact CG-CG2 4.09Å; Q191-I228 HydrophobicContact CB-CD1 4.12Å; Q191-I228 HydrophobicContact CG-CD1 3.75Å |
| 192 | M | 60.6 | Low | 63.9 | Low | 110 Ų | 110 | 121.1 Ų | 121.1 | 54% | 0.542 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -74.3 | -44.9 | -179 | -68.1 | -65.6 | -76.6 | 0 | 0 | 112.5 | E188 E189 R194 S195 V225 | E188-M192 HydrophobicContact CG-CG 4.45Å; E188-M192 WeakPolarHBondContact O-CG 3.17Å; E188-M192 PolarHBondContact O-N 3.42Å; E189-M192 PolarHBondContact O-N 3.42Å; M192-R194 PolarHBondContact O-N 3.49Å; M192-R194 VanDerWaalsContact O-N 3.13Å; M192-S195 VanDerWaalsContact O-CB 3.26Å; M192-S195 WeakPolarHBondContact O-CB 3.46Å; M192-S195 PolarHBondContact O-N 2.87Å; M192-V225 HydrophobicContact SD-CG1 3.86Å; M192-V225 HydrophobicContact SD-CG2 4.46Å |
| 193 | G | 56.3 | Low | 61.8 | Low | 47 Ų | 47 | 122 Ų | 122 | 49% | 0.485 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.8 | -20.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E189 S195 | E189-G193 PolarHBondContact O-N 3.44Å; G193-S195 VanDerWaalsContact C-N 3.25Å; G193-S195 PolarHBondContact O-N 3.13Å |
| 194 | R | 53.9 | Low | 59.6 | Low | 217 Ų | 217 | 122.9 Ų | 122.9 | 82% | 0.819 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -69.7 | -18.4 | 169.8 | -80.4 | -179 | 168.4 | -162.6 | -4 | 113.7 | K190 M192 | K190-R194 WeakPolarHBondContact O-CG 3.2Å; M192-R194 PolarHBondContact O-N 3.49Å; M192-R194 VanDerWaalsContact O-N 3.13Å |
| 195 | S | 48.8 | Very low | 57.4 | Low | 106 Ų | 106 | 134.9 Ų | 134.9 | 74% | 0.741 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -81.8 | -14.8 | -179.7 | -162.8 | 0 | 0 | 0 | 0 | 114.1 | M192 G193 | M192-S195 VanDerWaalsContact O-CB 3.26Å; M192-S195 WeakPolarHBondContact O-CB 3.46Å; M192-S195 PolarHBondContact O-N 2.87Å; G193-S195 VanDerWaalsContact C-N 3.25Å; G193-S195 PolarHBondContact O-N 3.13Å |
| 196 | S | 45.7 | Very low | 55.3 | Low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -100.5 | 9.8 | -168.4 | -164.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 197 | R | 46.8 | Very low | 53.7 | Low | 235 Ų | 235 | 136.7 Ų | 136.7 | 89% | 0.887 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -114 | 18.5 | -174.3 | -78 | -167.9 | 172.3 | -164.1 | -2.3 | 114.7 | ||
| 198 | Q | 46.9 | Very low | 51.5 | Low | 178 Ų | 178 | 140.8 Ų | 140.8 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -138.5 | 33.8 | -174.8 | -152.8 | 179.4 | 2.3 | 0 | 0 | 114.2 | ||
| 199 | E | 44.8 | Very low | 49.4 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -146.6 | 52.7 | 177.2 | -143.1 | 157.9 | -126.5 | 0 | 0 | 111.2 | ||
| 200 | D | 41.3 | Very low | 47.6 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | -153.4 | 86.7 | 174.5 | -144.6 | -15.9 | 0 | 0 | 0 | 113.3 | ||||
| 201 | K | 43.3 | Very low | 46 | Very low | 185 Ų | 185 | 144 Ų | 144 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -169.6 | 131.6 | 155.1 | -114.1 | 172.3 | -174.8 | 179.6 | 0 | 113.1 | ||||
| 202 | Q | 36.4 | Very low | 45 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 72.2 | 90.2 | 155.3 | -69.5 | 167.1 | -35.2 | 0 | 0 | 119.3 | ||||
| 203 | T | 46.6 | Very low | 44.2 | Very low | 131 Ų | 131 | 150 Ų | 150 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | 42.6 | 140.2 | 115.9 | 53.4 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 204 | P | 43.7 | Very low | 43.9 | Very low | 125 Ų | 125 | 158.1 Ų | 158.1 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -83.1 | 144.5 | -169.2 | 34 | -37.3 | 0 | 0 | 0 | 115.9 | ||||
| 205 | R | 39.4 | Very low | 43.6 | Very low | 252 Ų | 252 | 152.7 Ų | 152.7 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | trans | -157.1 | 148 | 133.8 | -104.3 | 162.3 | -173.3 | 169.9 | 2.4 | 108.9 | ||||
| 206 | S | 40.3 | Very low | 43.3 | Very low | 114 Ų | 114 | 155.7 Ų | 155.7 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -91.5 | 175 | -171.9 | 47.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 207 | P | 55 | Low | 43.3 | Very low | 112 Ų | 112 | 156.6 Ų | 156.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -128.4 | -178.5 | 2.9 | 40.9 | -24.3 | 0 | 0 | 0 | 116 | ||||
| 208 | D | 33.6 | Very low | 43.4 | Very low | 148 Ų | 148 | 154.3 Ų | 154.3 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 5.5 | 133.9 | 160.9 | -53.8 | -43.5 | 0 | 0 | 0 | 122 | ||||
| 209 | T | 36.1 | Very low | 43.7 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | -175.7 | 153.4 | 104 | -66.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 210 | L | 39.6 | Very low | 44 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | trans | -72.7 | 160.1 | 175.1 | -64.9 | 83 | 0 | 0 | 0 | 111.5 | ||||
| 211 | G | 40.6 | Very low | 44.6 | Very low | 67 Ų | 67 | 145.8 Ų | 145.8 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | cis | 168.3 | -174.9 | 0.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 212 | N | 44.9 | Very low | 45.3 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | trans | 63.9 | 110.4 | 175.8 | -66.6 | -21 | 0 | 0 | 0 | 118.9 | ||||
| 213 | I | 45.5 | Very low | 46.5 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | 168 | 74.1 | 129.5 | -79.6 | 152.1 | 0 | 0 | 0 | 107.1 | |||||
| 214 | R | 48.1 | Very low | 47.4 | Very low | 216 Ų | 216 | 137.4 Ų | 137.4 | 82% | 0.815 | 71% | 0.711 | S | S | * | * | trans | -151.1 | 18 | 174.5 | -81.5 | -155.9 | 171.6 | 168.1 | -0.1 | 114.9 | ||||
| 215 | T | 48.7 | Very low | 48.7 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 63% | 0.632 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -87.9 | -47.2 | -166.2 | -37.9 | 0 | 0 | 0 | 0 | 113.8 | R218 | T215-R218 PolarHBondContact O-N 2.9Š|
| 216 | E | 43.2 | Very low | 50.6 | Low | 169 Ų | 169 | 127.9 Ų | 127.9 | 79% | 0.79 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -66.6 | -42.3 | -173.3 | -66.1 | -176.4 | 106 | 0 | 0 | 113.4 | R218 V219 V220 | E216-R218 PolarHBondContact O-N 3.11Å; E216-R218 VanDerWaalsContact O-N 3.14Å; E216-V219 PolarHBondContact O-N 3.12Å; E216-V220 PolarHBondContact O-N 3.41Å |
| 217 | E | 44.9 | Very low | 52.4 | Low | 126 Ų | 126 | 130 Ų | 130 | 59% | 0.589 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -59.1 | -27.5 | 179.5 | -97.9 | -147.7 | 105.2 | 0 | 0 | 113.9 | R221 | E217-R221 VanDerWaalsContact CD-NH1 3.31Å; E217-R221 WeakPolarHBondContact O-CG 3.16Å; E217-R221 PolarHBondContact O-NH1 3.48Å; E217-R221 IonicContact OE1-CZ 3.18Å; E217-R221 IonicContact OE1-NH1 2.7Å; E217-R221 PolarHBondContact OE1-NH1 3.14Å; E217-R221 IonicContact OE1-NH2 3.76Å; E217-R221 PolarHBondContact OE1-NH2 2.72Å |
| 218 | R | 49.1 | Very low | 53.6 | Low | 188 Ų | 188 | 126 Ų | 126 | 71% | 0.709 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.2 | -32.1 | 174.7 | -88.7 | -176.7 | 165.8 | -177.4 | -3.4 | 112.2 | T215 E216 R222 | T215-R218 PolarHBondContact O-N 2.9Å; E216-R218 PolarHBondContact O-N 3.11Å; E216-R218 VanDerWaalsContact O-N 3.14Å; R218-R222 PolarHBondContact O-N 3.01Å |
| 219 | V | 52.9 | Low | 55.9 | Low | 97 Ų | 97 | 123.9 Ų | 123.9 | 59% | 0.588 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.6 | -46.2 | -178.3 | 179 | 0 | 0 | 0 | 0 | 111.4 | E216 R221 R222 S223 | E216-V219 PolarHBondContact O-N 3.12Å; V219-R221 PolarHBondContact O-N 2.87Å; V219-R222 WeakPolarHBondContact O-CB 3.31Å; V219-R222 PolarHBondContact O-N 2.82Å; V219-R222 VanDerWaalsContact O-N 3.14Å; V219-S223 PolarHBondContact O-N 2.84Å |
| 220 | V | 51.1 | Low | 58.2 | Low | 102 Ų | 102 | 124.5 Ų | 124.5 | 62% | 0.618 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63 | -40.4 | -179.3 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | E216 R222 S223 S224 | E216-V220 PolarHBondContact O-N 3.41Å; V220-R222 VanDerWaalsContact C-N 3.33Å; V220-R222 PolarHBondContact O-N 3.04Å; V220-S223 PolarHBondContact O-N 3.12Å; V220-S223 PolarHBondContact O-OG 2.72Å; V220-S224 PolarHBondContact O-N 2.91Å |
| 221 | R | 53.2 | Low | 60.4 | Low | 138 Ų | 138 | 119.8 Ų | 119.8 | 52% | 0.521 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.5 | -41.5 | 174.8 | -73.6 | 177.9 | 177.6 | 77 | -6.4 | 111.8 | E217 V219 S223 S224 V225 | E217-R221 VanDerWaalsContact CD-NH1 3.31Å; E217-R221 WeakPolarHBondContact O-CG 3.16Å; E217-R221 PolarHBondContact O-NH1 3.48Å; E217-R221 IonicContact OE1-CZ 3.18Å; E217-R221 IonicContact OE1-NH1 2.7Å; E217-R221 PolarHBondContact OE1-NH1 3.14Å; E217-R221 IonicContact OE1-NH2 3.76Å; E217-R221 PolarHBondContact OE1-NH2 2.72Å; V219-R221 PolarHBondContact O-N 2.87Å; R221-S223 VanDerWaalsContact C-N 3.3Å; R221-S223 PolarHBondContact O-N 3.34Å; R221-S224 PolarHBondContact O-N 2.9Å; R221-S224 VanDerWaalsContact O-N 3.16Å; R221-S224 PolarHBondContact O-OG 3.47Å; R221-V225 PolarHBondContact O-N 3.08Å |
| 222 | R | 58.8 | Low | 62.7 | Low | 193 Ų | 193 | 119.2 Ų | 119.2 | 73% | 0.728 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.6 | -29.4 | -178.9 | -137.2 | 174.5 | -169.1 | 177.7 | 3.6 | 113.3 | R218 V219 V220 K226 | R218-R222 PolarHBondContact O-N 3.01Å; V219-R222 WeakPolarHBondContact O-CB 3.31Å; V219-R222 PolarHBondContact O-N 2.82Å; V219-R222 VanDerWaalsContact O-N 3.14Å; V220-R222 VanDerWaalsContact C-N 3.33Å; V220-R222 PolarHBondContact O-N 3.04Å; R222-K226 WeakPolarHBondContact O-CG 3.45Å; R222-K226 PolarHBondContact O-N 2.89Å |
| 223 | S | 61.5 | Low | 64.8 | Low | 74 Ų | 74 | 118 Ų | 118 | 52% | 0.517 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -76.1 | -36.2 | 173.5 | 74.4 | 0 | 0 | 0 | 0 | 112.4 | V219 V220 R221 K227 | V219-S223 PolarHBondContact O-N 2.84Å; V220-S223 PolarHBondContact O-N 3.12Å; V220-S223 PolarHBondContact O-OG 2.72Å; R221-S223 VanDerWaalsContact C-N 3.3Å; R221-S223 PolarHBondContact O-N 3.34Å; S223-K227 PolarHBondContact O-N 3.29Å; S223-K227 VanDerWaalsContact O-N 3.09Å |
| 224 | S | 64.9 | Low | 67 | Low | 39 Ų | 39 | 118.2 Ų | 118.2 | 27% | 0.273 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 177.6 | 78.6 | 0 | 0 | 0 | 0 | 112.8 | V220 R221 K227 I228 | V220-S224 PolarHBondContact O-N 2.91Å; R221-S224 PolarHBondContact O-N 2.9Å; R221-S224 VanDerWaalsContact O-N 3.16Å; R221-S224 PolarHBondContact O-OG 3.47Å; S224-K227 PolarHBondContact O-N 3Å; S224-I228 PolarHBondContact O-N 3.31Å |
| 225 | V | 71.6 | Confident | 69.1 | Low | 39 Ų | 39 | 111.2 Ų | 111.2 | 24% | 0.236 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -63.8 | -51.2 | 176.6 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | Q191 M192 R221 K227 I228 E229 | Q191-V225 HydrophobicContact CG-CG2 4.09Å; M192-V225 HydrophobicContact SD-CG1 3.86Å; M192-V225 HydrophobicContact SD-CG2 4.46Å; R221-V225 PolarHBondContact O-N 3.08Å; V225-K227 PolarHBondContact O-N 3.02Å; V225-K227 VanDerWaalsContact O-N 3.14Å; V225-I228 PolarHBondContact O-N 2.89Å; V225-E229 WeakPolarHBondContact O-CB 3.47Å; V225-E229 PolarHBondContact O-N 3.17Å |
| 226 | K | 78.2 | Confident | 71.2 | Confident | 138 Ų | 138 | 109.7 Ų | 109.7 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.5 | -30.6 | 176.2 | -74.4 | -173.2 | 171.5 | -164.2 | 0 | 114 | R222 K230 | R222-K226 WeakPolarHBondContact O-CG 3.45Å; R222-K226 PolarHBondContact O-N 2.89Å; K226-K230 WeakPolarHBondContact O-CB 3.28Å; K226-K230 PolarHBondContact O-N 3.32Å |
| 227 | K | 79.8 | Confident | 73.5 | Confident | 159 Ų | 159 | 104.4 Ų | 104.4 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -72.7 | -33.5 | 175.8 | -169.8 | 176.9 | -179.3 | 179.7 | 0 | 112.6 | S223 S224 V225 M231 | S223-K227 PolarHBondContact O-N 3.29Å; S223-K227 VanDerWaalsContact O-N 3.09Å; S224-K227 PolarHBondContact O-N 3Å; V225-K227 PolarHBondContact O-N 3.02Å; V225-K227 VanDerWaalsContact O-N 3.14Å; K227-M231 WeakPolarHBondContact O-CB 3.31Å; K227-M231 PolarHBondContact O-N 2.95Å |
| 228 | I | 78.5 | Confident | 75.8 | Confident | 27 Ų | 27 | 104.2 Ų | 104.2 | 14% | 0.138 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -77.9 | -43.4 | 175.5 | -65.7 | 165.7 | 0 | 0 | 0 | 110.2 | E188 Q191 S224 V225 K230 M231 K232 | E188-I228 HydrophobicContact CB-CG2 3.97Å; Q191-I228 HydrophobicContact CB-CD1 4.12Å; Q191-I228 HydrophobicContact CG-CD1 3.75Å; S224-I228 PolarHBondContact O-N 3.31Å; V225-I228 PolarHBondContact O-N 2.89Å; I228-K230 PolarHBondContact O-N 3.43Å; I228-M231 CarbonylContact O-C 3.54Å; I228-M231 WeakPolarHBondContact O-CA 3.28Å; I228-M231 VanDerWaalsContact O-CB 3.3Å; I228-M231 WeakPolarHBondContact O-CB 3.38Å; I228-M231 PolarHBondContact O-N 3.11Å; I228-K232 PolarHBondContact O-N 3.07Å |
| 229 | E | 81.9 | Confident | 77.9 | Confident | 103 Ų | 103 | 96.3 Ų | 96.3 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -52.2 | -53.1 | 172.8 | -175.5 | 177 | -148.7 | 0 | 0 | 111.2 | V225 M231 K232 E233 | V225-E229 WeakPolarHBondContact O-CB 3.47Å; V225-E229 PolarHBondContact O-N 3.17Å; E229-M231 VanDerWaalsContact C-N 3.25Å; E229-M231 PolarHBondContact O-N 3.43Å; E229-K232 WeakPolarHBondContact O-CB 3.44Å; E229-K232 PolarHBondContact O-N 3.38Å; E229-E233 WeakPolarHBondContact O-CB 3.48Å; E229-E233 PolarHBondContact O-N 3.16Å |
| 230 | K | 85.9 | Confident | 79.9 | Confident | 150 Ų | 150 | 95.1 Ų | 95.1 | 65% | 0.652 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.8 | -24.2 | 174.4 | -170.5 | 165.4 | -173.1 | 167.2 | 0 | 114 | K226 I228 K234 | K226-K230 WeakPolarHBondContact O-CB 3.28Å; K226-K230 PolarHBondContact O-N 3.32Å; I228-K230 PolarHBondContact O-N 3.43Å; K230-K234 WeakPolarHBondContact O-CB 3.27Å; K230-K234 PolarHBondContact O-N 3Å; K230-K234 VanDerWaalsContact O-N 3.14Å |
| 231 | M | 85.6 | Confident | 82 | Confident | 72 Ų | 72 | 95 Ų | 95 | 36% | 0.355 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -77.1 | -40.5 | 174.5 | -166.6 | -169.5 | -49.1 | 0 | 0 | 111.6 | K227 I228 E229 R235 | K227-M231 WeakPolarHBondContact O-CB 3.31Å; K227-M231 PolarHBondContact O-N 2.95Å; I228-M231 CarbonylContact O-C 3.54Å; I228-M231 WeakPolarHBondContact O-CA 3.28Å; I228-M231 VanDerWaalsContact O-CB 3.3Å; I228-M231 WeakPolarHBondContact O-CB 3.38Å; I228-M231 PolarHBondContact O-N 3.11Å; E229-M231 VanDerWaalsContact C-N 3.25Å; E229-M231 PolarHBondContact O-N 3.43Å; M231-R235 WeakPolarHBondContact O-CB 3.22Å; M231-R235 VanDerWaalsContact O-CG 3.28Å; M231-R235 WeakPolarHBondContact O-CG 3.35Å; M231-R235 PolarHBondContact O-N 3.09Å; M231-R235 PolarHBondContact SD-NH2 3.45Å; M231-R235 VanDerWaalsContact SD-NH2 3.43Å |
| 232 | K | 87.8 | Confident | 83.9 | Confident | 54 Ų | 54 | 89.1 Ų | 89.1 | 24% | 0.235 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 170.8 | 173 | -174.6 | 165.4 | -173.5 | 0 | 110.3 | L181 A184 E185 E188 I228 E229 K234 R235 Q236 | L181-K232 HydrophobicContact CD1-CG 4.21Å; A184-K232 HydrophobicContact CB-CB 4.06Å; A184-K232 HydrophobicContact CB-CG 4.5Å; E185-K232 HydrophobicContact CG-CD 4.09Å; E185-K232 HydrophobicContact CG-CG 4.32Å; E188-K232 WeakPolarHBondContact OE1-CD 3.47Å; E188-K232 IonicContact OE1-NZ 3.71Å; E188-K232 PolarHBondContact OE1-NZ 3.44Å; E188-K232 WeakPolarHBondContact OE2-CD 3.49Å; E188-K232 IonicContact OE2-NZ 2.72Å; E188-K232 PolarHBondContact OE2-NZ 2.85Å; I228-K232 PolarHBondContact O-N 3.07Å; E229-K232 WeakPolarHBondContact O-CB 3.44Å; E229-K232 PolarHBondContact O-N 3.38Å; K232-K234 VanDerWaalsContact C-N 3.35Å; K232-K234 PolarHBondContact O-N 2.87Å; K232-R235 CarbonylContact O-C 3.49Å; K232-R235 WeakPolarHBondContact O-CA 3.31Å; K232-R235 WeakPolarHBondContact O-CB 3.41Å; K232-R235 PolarHBondContact O-N 3.49Å; K232-Q236 WeakPolarHBondContact O-CB 3.46Å; K232-Q236 PolarHBondContact O-N 2.8Å |
| 233 | E | 90.6 | Very high | 85.6 | Confident | 127 Ų | 127 | 84.1 Ų | 84.1 | 59% | 0.593 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -52.7 | -48.8 | 174.9 | -176.6 | -172.3 | -149.4 | 0 | 0 | 111.9 | E229 R235 Q236 A237 | E229-E233 WeakPolarHBondContact O-CB 3.48Å; E229-E233 PolarHBondContact O-N 3.16Å; E233-R235 VanDerWaalsContact C-N 3.31Å; E233-R235 PolarHBondContact O-N 2.84Å; E233-Q236 WeakPolarHBondContact O-CB 3.35Å; E233-Q236 PolarHBondContact O-N 3.04Å; E233-A237 PolarHBondContact O-N 3.42Å |
| 234 | K | 91.1 | Very high | 87.3 | Confident | 169 Ų | 169 | 85.2 Ų | 85.2 | 74% | 0.735 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.8 | -33.4 | 176.2 | -173.6 | 170.8 | -177.8 | 174 | 0 | 113.2 | K230 K232 K238 | K230-K234 WeakPolarHBondContact O-CB 3.27Å; K230-K234 PolarHBondContact O-N 3Å; K230-K234 VanDerWaalsContact O-N 3.14Å; K232-K234 VanDerWaalsContact C-N 3.35Å; K232-K234 PolarHBondContact O-N 2.87Å; K234-K238 PolarHBondContact O-N 3.29Å |
| 235 | R | 91.9 | Very high | 88.8 | Confident | 68 Ų | 68 | 87.3 Ų | 87.3 | 26% | 0.257 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -75.1 | -35.2 | 174.9 | -72.5 | 167.7 | 174.1 | 175.9 | 3.9 | 111.8 | K180 L181 M231 K232 E233 K238 Y239 | K180-R235 WeakPolarHBondContact O-CD 3.35Å; L181-R235 HydrophobicContact CB-CB 4.47Å; L181-R235 HydrophobicContact CD1-CB 4.37Å; M231-R235 WeakPolarHBondContact O-CB 3.22Å; M231-R235 VanDerWaalsContact O-CG 3.28Å; M231-R235 WeakPolarHBondContact O-CG 3.35Å; M231-R235 PolarHBondContact O-N 3.09Å; M231-R235 PolarHBondContact SD-NH2 3.45Å; M231-R235 VanDerWaalsContact SD-NH2 3.43Å; K232-R235 CarbonylContact O-C 3.49Å; K232-R235 WeakPolarHBondContact O-CA 3.31Å; K232-R235 WeakPolarHBondContact O-CB 3.41Å; K232-R235 PolarHBondContact O-N 3.49Å; E233-R235 VanDerWaalsContact C-N 3.31Å; E233-R235 PolarHBondContact O-N 2.84Å; R235-K238 PolarHBondContact O-N 2.86Å; R235-Y239 WeakPolarHBondContact O-CB 3.36Å; R235-Y239 PolarHBondContact O-N 3.15Å |
| 236 | Q | 92.1 | Very high | 89.9 | Confident | 72 Ų | 72 | 85.8 Ų | 85.8 | 34% | 0.336 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.1 | -50.2 | 174 | -177.9 | 67.6 | 33.5 | 0 | 0 | 110.4 | L181 K232 E233 K238 Y239 T240 | L181-Q236 HydrophobicContact CD1-CB 4.18Å; K232-Q236 WeakPolarHBondContact O-CB 3.46Å; K232-Q236 PolarHBondContact O-N 2.8Å; E233-Q236 WeakPolarHBondContact O-CB 3.35Å; E233-Q236 PolarHBondContact O-N 3.04Å; Q236-K238 PolarHBondContact O-N 2.91Å; Q236-Y239 PolarHBondContact O-N 3.22Å; Q236-Y239 VanDerWaalsContact O-N 3.17Å; Q236-T240 PolarHBondContact O-N 2.8Å; Q236-T240 PolarHBondContact O-OG1 2.63Å |
| 237 | A | 92.2 | Very high | 90.7 | Very high | 57 Ų | 57 | 83.1 Ų | 83.1 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E233 T240 E241 | E233-A237 PolarHBondContact O-N 3.42Å; A237-T240 PolarHBondContact O-OG1 2.63Å; A237-T240 VanDerWaalsContact O-OG1 3.04Å; A237-E241 WeakPolarHBondContact O-CB 3.24Å; A237-E241 PolarHBondContact O-N 2.94Å |
| 238 | K | 92.7 | Very high | 91.6 | Very high | 122 Ų | 122 | 81.7 Ų | 81.7 | 53% | 0.53 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.8 | -32.7 | 175.2 | -176.8 | 157.3 | -176.3 | 158.5 | 0 | 112.9 | K234 R235 Q236 N242 | K234-K238 PolarHBondContact O-N 3.29Å; R235-K238 PolarHBondContact O-N 2.86Å; Q236-K238 PolarHBondContact O-N 2.91Å; K238-N242 WeakPolarHBondContact O-CB 3.37Å; K238-N242 PolarHBondContact O-N 2.89Å |
| 239 | Y | 94.6 | Very high | 92.4 | Very high | 23 Ų | 23 | 81 Ų | 81 | 9% | 0.09 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.1 | -46.7 | 173.1 | 169.7 | -116.8 | 0 | 0 | 0 | 111.6 | A177 E178 L181 R235 Q236 E241 N242 K243 | A177-Y239 HydrophobicContact CB-CD2 4.38Å; E178-Y239 HydrophobicContact CB-CD2 3.75Å; E178-Y239 HydrophobicContact CB-CE2 3.45Å; E178-Y239 VanDerWaalsContact CB-CE2 3.45Å; E178-Y239 HydrophobicContact CG-CD2 4.14Å; E178-Y239 HydrophobicContact CG-CE2 3.52Å; E178-Y239 WeakPolarHBondContact OE2-CE2 3.48Å; E178-Y239 PolarHBondContact OE2-OH 2.97Å; L181-Y239 HydrophobicContact CD2-CD1 3.45Å; L181-Y239 VanDerWaalsContact CD2-CD1 3.45Å; L181-Y239 HydrophobicContact CD2-CE1 4.12Å; L181-Y239 HydrophobicContact CD2-CG 3.83Å; R235-Y239 WeakPolarHBondContact O-CB 3.36Å; R235-Y239 PolarHBondContact O-N 3.15Å; Q236-Y239 PolarHBondContact O-N 3.22Å; Q236-Y239 VanDerWaalsContact O-N 3.17Å; Y239-E241 VanDerWaalsContact C-N 3.34Å; Y239-E241 PolarHBondContact O-N 3.06Å; Y239-N242 PolarHBondContact O-N 3.18Å; Y239-K243 HydrophobicContact CE1-CD 4.08Å; Y239-K243 HydrophobicContact CE2-CB 4.38Å; Y239-K243 HydrophobicContact CE2-CD 4.13Å; Y239-K243 WeakPolarHBondContact O-CB 3.14Å; Y239-K243 PolarHBondContact O-N 3.23Å; Y239-K243 PolarHBondContact OH-NZ 3.15Å |
| 240 | T | 93.9 | Very high | 93.1 | Very high | 72 Ų | 72 | 82.5 Ų | 82.5 | 44% | 0.442 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 177.9 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | Q236 A237 L244 | Q236-T240 PolarHBondContact O-N 2.8Å; Q236-T240 PolarHBondContact O-OG1 2.63Å; A237-T240 PolarHBondContact O-OG1 2.63Å; A237-T240 VanDerWaalsContact O-OG1 3.04Å; T240-L244 WeakPolarHBondContact O-CB 3.4Å; T240-L244 PolarHBondContact O-N 2.68Å |
| 241 | E | 94.3 | Very high | 93.7 | Very high | 98 Ų | 98 | 79.4 Ų | 79.4 | 46% | 0.458 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.5 | -54.6 | 172 | -170.5 | -162.8 | 167.7 | 0 | 0 | 112 | A237 Y239 K243 L244 K245 | A237-E241 WeakPolarHBondContact O-CB 3.24Å; A237-E241 PolarHBondContact O-N 2.94Å; Y239-E241 VanDerWaalsContact C-N 3.34Å; Y239-E241 PolarHBondContact O-N 3.06Å; E241-K243 VanDerWaalsContact C-N 3.34Å; E241-K243 PolarHBondContact O-N 3.03Å; E241-L244 PolarHBondContact O-N 2.97Å; E241-K245 WeakPolarHBondContact O-CG 3.5Å; E241-K245 PolarHBondContact O-N 3.24Å; E241-K245 WeakPolarHBondContact OE1-CE 3.34Å; E241-K245 IonicContact OE1-NZ 3.59Å; E241-K245 PolarHBondContact OE1-NZ 3.04Å |
| 242 | N | 94.9 | Very high | 94.3 | Very high | 16 Ų | 16 | 81.1 Ų | 81.1 | 9% | 0.086 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.1 | -38.4 | -179.6 | -79.9 | 10.9 | 0 | 0 | 0 | 111.9 | D173 A177 K238 Y239 K245 A246 | D173-N242 PolarHBondContact O-ND2 3.25Å; A177-N242 HydrophobicContact CB-CB 4.37Å; K238-N242 WeakPolarHBondContact O-CB 3.37Å; K238-N242 PolarHBondContact O-N 2.89Å; Y239-N242 PolarHBondContact O-N 3.18Å; N242-K245 PolarHBondContact O-N 2.99Å; N242-A246 WeakPolarHBondContact O-CB 3.46Å; N242-A246 PolarHBondContact O-N 2.85Å |
| 243 | K | 94.6 | Very high | 94.7 | Very high | 87 Ų | 87 | 80.7 Ų | 80.7 | 38% | 0.378 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 176.1 | -171.7 | 176.3 | -165.9 | 165.9 | 0 | 111.8 | S174 Y239 E241 A246 I247 | S174-K243 WeakPolarHBondContact OG-CA 3.46Å; Y239-K243 HydrophobicContact CE1-CD 4.08Å; Y239-K243 HydrophobicContact CE2-CB 4.38Å; Y239-K243 HydrophobicContact CE2-CD 4.13Å; Y239-K243 WeakPolarHBondContact O-CB 3.14Å; Y239-K243 PolarHBondContact O-N 3.23Å; Y239-K243 PolarHBondContact OH-NZ 3.15Å; E241-K243 VanDerWaalsContact C-N 3.34Å; E241-K243 PolarHBondContact O-N 3.03Å; K243-A246 PolarHBondContact O-N 2.96Å; K243-I247 HydrophobicContact CG-CD1 4.05Å; K243-I247 WeakPolarHBondContact O-CB 3.31Å; K243-I247 VanDerWaalsContact O-CG1 3.26Å; K243-I247 WeakPolarHBondContact O-CG1 3.47Å; K243-I247 PolarHBondContact O-N 3.19Å |
| 244 | L | 95.8 | Very high | 95.1 | Very high | 98 Ų | 98 | 78.7 Ų | 78.7 | 51% | 0.513 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 175.1 | -177.4 | 60 | 0 | 0 | 0 | 111.8 | T240 E241 I247 K248 | T240-L244 WeakPolarHBondContact O-CB 3.4Å; T240-L244 PolarHBondContact O-N 2.68Å; E241-L244 PolarHBondContact O-N 2.97Å; L244-I247 PolarHBondContact O-N 3.27Å; L244-K248 WeakPolarHBondContact O-CG 3.4Å; L244-K248 PolarHBondContact O-N 3.04Å |
| 245 | K | 96.3 | Very high | 95.3 | Very high | 83 Ų | 83 | 76.1 Ų | 76.1 | 36% | 0.361 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 173 | -69.2 | 175.2 | -173.2 | 170.8 | 0 | 111.9 | Y170 E241 N242 K248 A249 | Y170-K245 HydrophobicContact CD1-CB 4.36Å; Y170-K245 HydrophobicContact CG-CB 4.3Å; E241-K245 WeakPolarHBondContact O-CG 3.5Å; E241-K245 PolarHBondContact O-N 3.24Å; E241-K245 WeakPolarHBondContact OE1-CE 3.34Å; E241-K245 IonicContact OE1-NZ 3.59Å; E241-K245 PolarHBondContact OE1-NZ 3.04Å; N242-K245 PolarHBondContact O-N 2.99Å; K245-K248 PolarHBondContact O-N 3.33Å; K245-A249 WeakPolarHBondContact O-CB 3.35Å; K245-A249 PolarHBondContact O-N 3.21Å |
| 246 | A | 95.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 74 Ų | 74 | 6% | 0.058 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N242 K243 R250 | N242-A246 WeakPolarHBondContact O-CB 3.46Å; N242-A246 PolarHBondContact O-N 2.85Å; K243-A246 PolarHBondContact O-N 2.96Å; A246-R250 VanDerWaalsContact O-CB 3.28Å; A246-R250 WeakPolarHBondContact O-CB 3.45Å; A246-R250 PolarHBondContact O-N 2.92Å |
| 247 | I | 95.8 | Very high | 95.8 | Very high | 82 Ų | 82 | 73 Ų | 73 | 42% | 0.421 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 175 | -71.2 | 165 | 0 | 0 | 0 | 110.9 | K243 L244 R250 N251 | K243-I247 HydrophobicContact CG-CD1 4.05Å; K243-I247 WeakPolarHBondContact O-CB 3.31Å; K243-I247 VanDerWaalsContact O-CG1 3.26Å; K243-I247 WeakPolarHBondContact O-CG1 3.47Å; K243-I247 PolarHBondContact O-N 3.19Å; L244-I247 PolarHBondContact O-N 3.27Å; I247-R250 WeakPolarHBondContact O-CB 3.26Å; I247-R250 PolarHBondContact O-N 3.37Å; I247-N251 PolarHBondContact O-N 2.92Å; I247-N251 PolarHBondContact O-OD1 3.45Å |
| 248 | K | 97.1 | Very high | 96.1 | Very high | 129 Ų | 129 | 76.2 Ų | 76.2 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.4 | -53.7 | 176.4 | -75.2 | -175.8 | 175.4 | -165.8 | 0 | 111.4 | L244 K245 R250 N251 E252 | L244-K248 WeakPolarHBondContact O-CG 3.4Å; L244-K248 PolarHBondContact O-N 3.04Å; K245-K248 PolarHBondContact O-N 3.33Å; K248-R250 PolarHBondContact O-N 3.49Å; K248-N251 WeakPolarHBondContact O-CB 3.34Å; K248-N251 PolarHBondContact O-N 2.78Å; K248-E252 WeakPolarHBondContact O-CG 3.13Å; K248-E252 PolarHBondContact O-N 3.23Å |
| 249 | A | 96.5 | Very high | 96.2 | Very high | 11 Ų | 11 | 72.8 Ų | 72.8 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -29.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y170 K245 Y253 | Y170-A249 HydrophobicContact CD2-CB 3.76Å; Y170-A249 HydrophobicContact CE2-CB 4.48Å; K245-A249 WeakPolarHBondContact O-CB 3.35Å; K245-A249 PolarHBondContact O-N 3.21Å; A249-Y253 WeakPolarHBondContact O-CB 3.35Å; A249-Y253 PolarHBondContact O-N 3.38Å |
| 250 | R | 97.1 | Very high | 96.4 | Very high | 136 Ų | 136 | 72 Ų | 72 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 171.1 | -170.7 | -179 | 176.1 | -151 | -3.3 | 112 | Y167 A246 I247 K248 Y253 L254 | Y167-R250 HydrophobicContact CD2-CB 3.65Å; Y167-R250 HydrophobicContact CD2-CG 4.2Å; Y167-R250 HydrophobicContact CE2-CB 3.59Å; Y167-R250 HydrophobicContact CE2-CG 3.8Å; Y167-R250 HydrophobicContact CG-CB 4.5Å; A246-R250 VanDerWaalsContact O-CB 3.28Å; A246-R250 WeakPolarHBondContact O-CB 3.45Å; A246-R250 PolarHBondContact O-N 2.92Å; I247-R250 WeakPolarHBondContact O-CB 3.26Å; I247-R250 PolarHBondContact O-N 3.37Å; K248-R250 PolarHBondContact O-N 3.49Å; R250-Y253 PolarHBondContact O-N 3.19Å; R250-L254 HydrophobicContact CG-CD1 4.38Å; R250-L254 WeakPolarHBondContact O-CG 3.49Å; R250-L254 PolarHBondContact O-N 3.02Å |
| 251 | N | 97.4 | Very high | 96.5 | Very high | 84 Ų | 84 | 72.5 Ų | 72.5 | 45% | 0.449 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.9 | -45.7 | 177.2 | -68.3 | 5.1 | 0 | 0 | 0 | 110.7 | I247 K248 Y253 L254 L255 | I247-N251 PolarHBondContact O-N 2.92Å; I247-N251 PolarHBondContact O-OD1 3.45Å; K248-N251 WeakPolarHBondContact O-CB 3.34Å; K248-N251 PolarHBondContact O-N 2.78Å; N251-Y253 VanDerWaalsContact C-N 3.29Å; N251-Y253 PolarHBondContact O-N 3Å; N251-L254 PolarHBondContact O-N 2.84Å; N251-L254 VanDerWaalsContact O-N 3.15Å; N251-L255 WeakPolarHBondContact O-CG 3.24Å; N251-L255 PolarHBondContact O-N 2.91Å |
| 252 | E | 97.5 | Very high | 96.7 | Very high | 109 Ų | 109 | 71 Ų | 71 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.2 | -42.5 | 172.9 | -57.9 | -47.7 | 131.4 | 0 | 0 | 111.7 | V163 K248 L254 L255 A256 | V163-E252 HydrophobicContact CG1-CB 3.97Å; K248-E252 WeakPolarHBondContact O-CG 3.13Å; K248-E252 PolarHBondContact O-N 3.23Å; E252-L254 PolarHBondContact O-N 2.88Å; E252-L255 PolarHBondContact O-N 2.8Å; E252-A256 WeakPolarHBondContact O-CB 3.42Å; E252-A256 PolarHBondContact O-N 3.14Å |
| 253 | Y | 97.4 | Very high | 96.8 | Very high | 44 Ų | 44 | 72.4 Ų | 72.4 | 17% | 0.173 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 176.4 | 175 | -125.5 | 0 | 0 | 0 | 112.6 | L160 M164 Y167 A249 R250 N251 L257 | L160-Y253 HydrophobicContact CD1-CD2 3.79Å; L160-Y253 HydrophobicContact CD1-CE2 3.61Å; L160-Y253 HydrophobicContact CG-CE2 4.3Å; M164-Y253 HydrophobicContact CB-CD2 3.81Å; M164-Y253 HydrophobicContact CB-CE2 3.55Å; M164-Y253 HydrophobicContact CG-CD2 4.41Å; M164-Y253 HydrophobicContact CG-CE2 3.85Å; M164-Y253 HydrophobicContact SD-CE2 4.38Å; Y167-Y253 AromaticContact CD1-CD1 3.96Å; Y167-Y253 HydrophobicContact CD1-CD1 3.96Å; Y167-Y253 HydrophobicContact CE1-CD1 4.47Å; A249-Y253 WeakPolarHBondContact O-CB 3.35Å; A249-Y253 PolarHBondContact O-N 3.38Å; R250-Y253 PolarHBondContact O-N 3.19Å; N251-Y253 VanDerWaalsContact C-N 3.29Å; N251-Y253 PolarHBondContact O-N 3Å; Y253-L257 WeakPolarHBondContact O-CB 3.47Å; Y253-L257 PolarHBondContact O-N 3.33Å |
| 254 | L | 97.6 | Very high | 97 | Very high | 85 Ų | 85 | 70.1 Ų | 70.1 | 45% | 0.445 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 176.3 | -70.6 | 169.1 | 0 | 0 | 0 | 112.3 | R250 N251 E252 E258 | R250-L254 HydrophobicContact CG-CD1 4.38Å; R250-L254 WeakPolarHBondContact O-CG 3.49Å; R250-L254 PolarHBondContact O-N 3.02Å; N251-L254 PolarHBondContact O-N 2.84Å; N251-L254 VanDerWaalsContact O-N 3.15Å; E252-L254 PolarHBondContact O-N 2.88Å; L254-E258 PolarHBondContact O-N 3.48Å; L254-E258 VanDerWaalsContact O-N 3.1Å |
| 255 | L | 97.3 | Very high | 97.1 | Very high | 115 Ų | 115 | 70.8 Ų | 70.8 | 60% | 0.602 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66.1 | -46.6 | 174.8 | -68.4 | 171.3 | 0 | 0 | 0 | 111.6 | N251 E252 L257 E258 A259 | N251-L255 WeakPolarHBondContact O-CG 3.24Å; N251-L255 PolarHBondContact O-N 2.91Å; E252-L255 PolarHBondContact O-N 2.8Å; L255-L257 VanDerWaalsContact C-N 3.32Å; L255-L257 PolarHBondContact O-N 2.89Å; L255-E258 PolarHBondContact O-N 3.2Å; L255-A259 WeakPolarHBondContact O-CB 3.28Å; L255-A259 PolarHBondContact O-N 3.25Å |
| 256 | A | 97.1 | Very high | 97.1 | Very high | 25 Ų | 25 | 71.4 Ų | 71.4 | 21% | 0.207 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L160 V163 E252 T260 | L160-A256 HydrophobicContact CD1-CB 3.93Å; V163-A256 HydrophobicContact CB-CB 4.38Å; V163-A256 HydrophobicContact CG1-CB 4.38Å; V163-A256 HydrophobicContact CG2-CB 4.25Å; E252-A256 WeakPolarHBondContact O-CB 3.42Å; E252-A256 PolarHBondContact O-N 3.14Å; A256-T260 VanDerWaalsContact O-CB 3.3Å; A256-T260 WeakPolarHBondContact O-CB 3.37Å; A256-T260 PolarHBondContact O-N 3.08Å; A256-T260 PolarHBondContact O-OG1 2.86Å |
| 257 | L | 97 | Very high | 97.2 | Very high | 49 Ų | 49 | 71.4 Ų | 71.4 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 176.7 | 179.7 | 63.4 | 0 | 0 | 0 | 111.5 | L160 Y253 L255 T260 N261 | L160-L257 HydrophobicContact CD1-CB 4.09Å; L160-L257 HydrophobicContact CD2-CD1 3.86Å; Y253-L257 WeakPolarHBondContact O-CB 3.47Å; Y253-L257 PolarHBondContact O-N 3.33Å; L255-L257 VanDerWaalsContact C-N 3.32Å; L255-L257 PolarHBondContact O-N 2.89Å; L257-T260 PolarHBondContact O-N 3.08Å; L257-N261 WeakPolarHBondContact O-CB 3.38Å; L257-N261 PolarHBondContact O-N 2.71Å; L257-N261 PolarHBondContact O-ND2 3.41Å |
| 258 | E | 97.1 | Very high | 97.3 | Very high | 125 Ų | 125 | 70.6 Ų | 70.6 | 58% | 0.584 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.8 | -41.4 | 179.2 | -161.2 | 64.9 | -164.8 | 0 | 0 | 112 | L254 L255 N261 S262 | L254-E258 PolarHBondContact O-N 3.48Å; L254-E258 VanDerWaalsContact O-N 3.1Å; L255-E258 PolarHBondContact O-N 3.2Å; E258-N261 PolarHBondContact O-N 2.77Å; E258-S262 WeakPolarHBondContact O-CB 3.4Å; E258-S262 PolarHBondContact O-N 2.87Å; E258-S262 PolarHBondContact O-OG 3.32Å |
| 259 | A | 96.6 | Very high | 97.3 | Very high | 51 Ų | 51 | 67.4 Ų | 67.4 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | L255 S262 C263 | L255-A259 WeakPolarHBondContact O-CB 3.28Å; L255-A259 PolarHBondContact O-N 3.25Å; A259-S262 PolarHBondContact O-N 3.37Å; A259-C263 PolarHBondContact O-N 3.03Å; A259-C263 PolarHBondContact O-SG 3.39Å |
| 260 | T | 97.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 71.3 Ų | 71.3 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 177.6 | -58 | 0 | 0 | 0 | 0 | 111.5 | V156 L157 L160 A256 L257 S262 C263 V264 | V156-T260 HydrophobicContact CG1-CG2 4.12Å; V156-T260 WeakPolarHBondContact CG1-OG1 3.46Å; L157-T260 HydrophobicContact CD2-CG2 3.75Å; L160-T260 HydrophobicContact CD2-CG2 3.81Å; A256-T260 VanDerWaalsContact O-CB 3.3Å; A256-T260 WeakPolarHBondContact O-CB 3.37Å; A256-T260 PolarHBondContact O-N 3.08Å; A256-T260 PolarHBondContact O-OG1 2.86Å; L257-T260 PolarHBondContact O-N 3.08Å; T260-S262 VanDerWaalsContact C-N 3.27Å; T260-S262 PolarHBondContact O-N 2.95Å; T260-C263 PolarHBondContact O-N 3.07Å; T260-V264 HydrophobicContact CG2-CG2 4.43Å; T260-V264 WeakPolarHBondContact O-CG2 3.32Å; T260-V264 PolarHBondContact O-N 2.9Å |
| 261 | N | 97.2 | Very high | 97.3 | Very high | 83 Ų | 83 | 65.8 Ų | 65.8 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 176.8 | -68.1 | -23.2 | 0 | 0 | 0 | 111.2 | L257 E258 V264 F265 | L257-N261 WeakPolarHBondContact O-CB 3.38Å; L257-N261 PolarHBondContact O-N 2.71Å; L257-N261 PolarHBondContact O-ND2 3.41Å; E258-N261 PolarHBondContact O-N 2.77Å; N261-V264 PolarHBondContact O-N 3.41Å; N261-F265 WeakPolarHBondContact O-CB 3.26Å; N261-F265 PolarHBondContact O-N 3.22Å |
| 262 | S | 97.4 | Very high | 97.2 | Very high | 66 Ų | 66 | 63.3 Ų | 63.3 | 46% | 0.462 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 176.4 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | E258 A259 T260 K266 | E258-S262 WeakPolarHBondContact O-CB 3.4Å; E258-S262 PolarHBondContact O-N 2.87Å; E258-S262 PolarHBondContact O-OG 3.32Å; A259-S262 PolarHBondContact O-N 3.37Å; T260-S262 VanDerWaalsContact C-N 3.27Å; T260-S262 PolarHBondContact O-N 2.95Å; S262-K266 VanDerWaalsContact O-CB 3.31Å; S262-K266 WeakPolarHBondContact O-CB 3.38Å; S262-K266 PolarHBondContact O-N 3.31Å |
| 263 | C | 97.5 | Very high | 97.1 | Very high | 45 Ų | 45 | 61 Ų | 61 | 30% | 0.304 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 176.5 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | L153 V156 A259 T260 K266 Y267 | L153-C263 HydrophobicContact CD1-CB 4.39Å; V156-C263 HydrophobicContact CG1-CB 4.4Å; A259-C263 PolarHBondContact O-N 3.03Å; A259-C263 PolarHBondContact O-SG 3.39Å; T260-C263 PolarHBondContact O-N 3.07Å; C263-K266 PolarHBondContact O-N 3.15Å; C263-Y267 WeakPolarHBondContact O-CB 3.08Å; C263-Y267 PolarHBondContact O-N 2.79Å |
| 264 | V | 97.6 | Very high | 97 | Very high | 39 Ų | 39 | 63.4 Ų | 63.4 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 174.2 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | L153 L157 T260 N261 Y267 Y268 | L153-V264 HydrophobicContact CD1-CB 4.45Å; L153-V264 HydrophobicContact CD1-CG2 3.82Å; L157-V264 HydrophobicContact CD2-CG2 4.36Å; T260-V264 HydrophobicContact CG2-CG2 4.43Å; T260-V264 WeakPolarHBondContact O-CG2 3.32Å; T260-V264 PolarHBondContact O-N 2.9Å; N261-V264 PolarHBondContact O-N 3.41Å; V264-Y267 PolarHBondContact O-N 3.29Å; V264-Y268 HydrophobicContact CG1-CD2 4.01Å; V264-Y268 HydrophobicContact CG1-CE2 4.24Å; V264-Y268 WeakPolarHBondContact O-CD2 3.45Å; V264-Y268 PolarHBondContact O-N 2.93Å; V264-Y268 VanDerWaalsContact O-N 3.09Å |
| 265 | F | 97.7 | Very high | 96.8 | Very high | 113 Ų | 113 | 60 Ų | 60 | 50% | 0.496 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 177.9 | -176.6 | -85.8 | 0 | 0 | 0 | 111.5 | N261 Y267 Y268 I269 | N261-F265 WeakPolarHBondContact O-CB 3.26Å; N261-F265 PolarHBondContact O-N 3.22Å; F265-Y267 VanDerWaalsContact C-N 3.32Å; F265-Y267 PolarHBondContact O-N 3.41Å; F265-Y268 PolarHBondContact O-N 3.3Å; F265-I269 HydrophobicContact CD1-CB 4.41Å; F265-I269 HydrophobicContact CD1-CG1 4.31Å; F265-I269 HydrophobicContact CD2-CG1 3.99Å; F265-I269 HydrophobicContact CE1-CB 4.13Å; F265-I269 HydrophobicContact CE1-CG1 4.16Å; F265-I269 HydrophobicContact CE1-CG2 4.15Å; F265-I269 HydrophobicContact CE2-CG1 3.85Å; F265-I269 HydrophobicContact CG-CG1 4.22Å; F265-I269 HydrophobicContact CZ-CB 4.26Å; F265-I269 HydrophobicContact CZ-CG1 3.94Å; F265-I269 HydrophobicContact CZ-CG2 4.08Å; F265-I269 VanDerWaalsContact O-CB 3.28Å; F265-I269 WeakPolarHBondContact O-CB 3.42Å; F265-I269 VanDerWaalsContact O-CG1 3.31Å; F265-I269 WeakPolarHBondContact O-CG1 3.38Å; F265-I269 PolarHBondContact O-N 2.69Å |
| 266 | K | 97.3 | Very high | 96.6 | Very high | 95 Ų | 95 | 58 Ų | 58 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 179.6 | -165.3 | -171.2 | 72.3 | 73.8 | 0 | 112 | S262 C263 H270 D271 | S262-K266 VanDerWaalsContact O-CB 3.31Å; S262-K266 WeakPolarHBondContact O-CB 3.38Å; S262-K266 PolarHBondContact O-N 3.31Å; C263-K266 PolarHBondContact O-N 3.15Å; K266-H270 WeakPolarHBondContact O-CA 3.37Å; K266-H270 WeakPolarHBondContact O-CB 3.41Å; K266-H270 PolarHBondContact O-N 2.87Å; K266-D271 IonicContact NZ-OD1 3.5Å; K266-D271 PolarHBondContact NZ-OD1 3.2Å; K266-D271 IonicContact NZ-OD2 3.99Å; K266-D271 PolarHBondContact NZ-OD2 2.87Å; K266-D271 PolarHBondContact O-N 3.09Å |
| 267 | Y | 98.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 61.6 Ų | 61.6 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -62.8 | -52.7 | 178.3 | 179.6 | -98.4 | 0 | 0 | 0 | 112.6 | L28 Q31 L149 Q150 L153 C263 V264 F265 D271 L272 | L28-Y267 HydrophobicContact CD2-CD1 4.24Å; L28-Y267 HydrophobicContact CD2-CE1 3.42Å; L28-Y267 VanDerWaalsContact CD2-CE1 3.42Å; Q31-Y267 PolarHBondContact OE1-OH 3.11Å; L149-Y267 HydrophobicContact CB-CD2 4.19Å; L149-Y267 HydrophobicContact CB-CE2 3.94Å; Q150-Y267 HydrophobicContact CG-CE2 4.15Å; Q150-Y267 WeakPolarHBondContact CG-OH 3.39Å; Q150-Y267 PolarHBondContact NE2-OH 3.23Å; L153-Y267 HydrophobicContact CD2-CD1 3.63Å; L153-Y267 HydrophobicContact CD2-CD2 4.48Å; L153-Y267 HydrophobicContact CD2-CE1 4.25Å; L153-Y267 HydrophobicContact CD2-CG 3.77Å; C263-Y267 WeakPolarHBondContact O-CB 3.08Å; C263-Y267 PolarHBondContact O-N 2.79Å; V264-Y267 PolarHBondContact O-N 3.29Å; F265-Y267 VanDerWaalsContact C-N 3.32Å; F265-Y267 PolarHBondContact O-N 3.41Å; Y267-D271 HydrophobicContact CD2-CB 4.15Å; Y267-L272 WeakPolarHBondContact O-CB 3.27Å; Y267-L272 PolarHBondContact O-N 3.48Å |
| 268 | Y | 97.1 | Very high | 96.1 | Very high | 64 Ų | 64 | 62 Ų | 62 | 25% | 0.251 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -75.8 | -23.4 | -173.8 | -83.3 | -93 | 0 | 0 | 0 | 114.2 | Q27 L153 V264 F265 | Q27-Y268 PolarHBondContact OE1-OH 2.94Å; L153-Y268 HydrophobicContact CD2-CE2 4.43Å; V264-Y268 HydrophobicContact CG1-CD2 4.01Å; V264-Y268 HydrophobicContact CG1-CE2 4.24Å; V264-Y268 WeakPolarHBondContact O-CD2 3.45Å; V264-Y268 PolarHBondContact O-N 2.93Å; V264-Y268 VanDerWaalsContact O-N 3.09Å; F265-Y268 PolarHBondContact O-N 3.3Å |
| 269 | I | 96.6 | Very high | 95.7 | Very high | 62 Ų | 62 | 56.5 Ų | 56.5 | 32% | 0.318 | 31% | 0.309 | S | S | . | . | I | π-helix | trans | -105.5 | -25.2 | -174.7 | -55.1 | -61.5 | 0 | 0 | 0 | 113.1 | F265 | F265-I269 HydrophobicContact CD1-CB 4.41Å; F265-I269 HydrophobicContact CD1-CG1 4.31Å; F265-I269 HydrophobicContact CD2-CG1 3.99Å; F265-I269 HydrophobicContact CE1-CB 4.13Å; F265-I269 HydrophobicContact CE1-CG1 4.16Å; F265-I269 HydrophobicContact CE1-CG2 4.15Å; F265-I269 HydrophobicContact CE2-CG1 3.85Å; F265-I269 HydrophobicContact CG-CG1 4.22Å; F265-I269 HydrophobicContact CZ-CB 4.26Å; F265-I269 HydrophobicContact CZ-CG1 3.94Å; F265-I269 HydrophobicContact CZ-CG2 4.08Å; F265-I269 VanDerWaalsContact O-CB 3.28Å; F265-I269 WeakPolarHBondContact O-CB 3.42Å; F265-I269 VanDerWaalsContact O-CG1 3.31Å; F265-I269 WeakPolarHBondContact O-CG1 3.38Å; F265-I269 PolarHBondContact O-N 2.69Å |
| 270 | H | 96.1 | Very high | 95.1 | Very high | 94 Ų | 94 | 55.3 Ų | 55.3 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -123.4 | -64.6 | -178.1 | -56.6 | -52.2 | 0 | 0 | 0 | 111.9 | K266 L272 S273 D274 | K266-H270 WeakPolarHBondContact O-CA 3.37Å; K266-H270 WeakPolarHBondContact O-CB 3.41Å; K266-H270 PolarHBondContact O-N 2.87Å; H270-L272 VanDerWaalsContact C-N 3.26Å; H270-L272 PolarHBondContact O-N 3.35Å; H270-L272 VanDerWaalsContact O-N 3.11Å; H270-S273 WeakPolarHBondContact O-CA 3.19Å; H270-S273 WeakPolarHBondContact O-CB 3.41Å; H270-S273 PolarHBondContact O-N 3.14Å; H270-D274 PolarHBondContact O-N 3.49Å |
| 271 | D | 97.3 | Very high | 94.8 | Very high | 19 Ų | 19 | 60.4 Ų | 60.4 | 10% | 0.102 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -57.8 | -37.6 | -169.2 | -52.6 | -13.2 | 0 | 0 | 0 | 113 | L149 K266 Y267 S273 I275 | L149-D271 HydrophobicContact CD1-CB 4.18Å; K266-D271 IonicContact NZ-OD1 3.5Å; K266-D271 PolarHBondContact NZ-OD1 3.2Å; K266-D271 IonicContact NZ-OD2 3.99Å; K266-D271 PolarHBondContact NZ-OD2 2.87Å; K266-D271 PolarHBondContact O-N 3.09Å; Y267-D271 HydrophobicContact CD2-CB 4.15Å; D271-S273 VanDerWaalsContact C-N 3.33Å; D271-I275 WeakPolarHBondContact O-CB 3.37Å; D271-I275 WeakPolarHBondContact O-CG1 3.35Å; D271-I275 PolarHBondContact O-N 3.08Å |
| 272 | L | 95.3 | Very high | 94.5 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 17% | 0.173 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.4 | -32.7 | 178.2 | -176.4 | 60.9 | 0 | 0 | 0 | 112.5 | Q31 Y267 H270 I276 | Q31-L272 HydrophobicContact CG-CD2 4.49Å; Y267-L272 WeakPolarHBondContact O-CB 3.27Å; Y267-L272 PolarHBondContact O-N 3.48Å; H270-L272 VanDerWaalsContact C-N 3.26Å; H270-L272 PolarHBondContact O-N 3.35Å; H270-L272 VanDerWaalsContact O-N 3.11Å; L272-I276 HydrophobicContact CG-CD1 4.5Å; L272-I276 WeakPolarHBondContact O-CD1 3.45Å; L272-I276 VanDerWaalsContact O-CG1 3.3Å; L272-I276 WeakPolarHBondContact O-CG1 3.41Å; L272-I276 PolarHBondContact O-N 2.86Å |
| 273 | S | 95.3 | Very high | 94.4 | Very high | 60 Ų | 60 | 55.9 Ų | 55.9 | 42% | 0.42 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.7 | -49.3 | 174.6 | -162.3 | 0 | 0 | 0 | 0 | 110.5 | H270 D271 I275 I276 D277 | H270-S273 WeakPolarHBondContact O-CA 3.19Å; H270-S273 WeakPolarHBondContact O-CB 3.41Å; H270-S273 PolarHBondContact O-N 3.14Å; D271-S273 VanDerWaalsContact C-N 3.33Å; S273-I275 PolarHBondContact O-N 3.22Å; S273-I276 WeakPolarHBondContact O-CB 3.2Å; S273-I276 PolarHBondContact O-N 3.19Å; S273-D277 PolarHBondContact O-N 3.35Å |
| 274 | D | 95.7 | Very high | 94.3 | Very high | 95 Ų | 95 | 59.3 Ų | 59.3 | 51% | 0.508 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.1 | -35.8 | 179.1 | -61.6 | -18.5 | 0 | 0 | 0 | 111.6 | H270 C278 | H270-D274 PolarHBondContact O-N 3.49Å; D274-C278 WeakPolarHBondContact O-CB 3.47Å; D274-C278 PolarHBondContact O-N 2.96Å; D274-C278 PolarHBondContact O-SG 3.21Å |
| 275 | I | 94.8 | Very high | 94.2 | Very high | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.2 | -35.5 | 176 | -71.5 | -71.2 | 0 | 0 | 0 | 112.9 | L35 V145 L149 D271 S273 C278 C279 | L35-I275 HydrophobicContact CD1-CG2 4.42Å; V145-I275 HydrophobicContact CB-CD1 3.88Å; V145-I275 HydrophobicContact CG1-CD1 3.74Å; L149-I275 HydrophobicContact CD1-CD1 3.92Å; L149-I275 HydrophobicContact CD1-CG1 3.76Å; D271-I275 WeakPolarHBondContact O-CB 3.37Å; D271-I275 WeakPolarHBondContact O-CG1 3.35Å; D271-I275 PolarHBondContact O-N 3.08Å; S273-I275 PolarHBondContact O-N 3.22Å; I275-C278 PolarHBondContact O-N 3.33Å; I275-C279 PolarHBondContact O-N 3.17Å; I275-C279 PolarHBondContact O-SG 3.21Å |
| 276 | I | 92.8 | Very high | 94.2 | Very high | 71 Ų | 71 | 56.7 Ų | 56.7 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.3 | -47.6 | 173.1 | -70.1 | 161.9 | 0 | 0 | 0 | 109.8 | L35 L272 S273 C278 C279 D280 | L35-I276 HydrophobicContact CD2-CG1 4Å; L272-I276 HydrophobicContact CG-CD1 4.5Å; L272-I276 WeakPolarHBondContact O-CD1 3.45Å; L272-I276 VanDerWaalsContact O-CG1 3.3Å; L272-I276 WeakPolarHBondContact O-CG1 3.41Å; L272-I276 PolarHBondContact O-N 2.86Å; S273-I276 WeakPolarHBondContact O-CB 3.2Å; S273-I276 PolarHBondContact O-N 3.19Å; I276-C278 PolarHBondContact O-N 2.87Å; I276-C279 WeakPolarHBondContact O-CA 3.4Å; I276-C279 VanDerWaalsContact O-CB 3.31Å; I276-C279 WeakPolarHBondContact O-CB 3.37Å; I276-C279 PolarHBondContact O-N 3.12Å; I276-D280 PolarHBondContact O-N 3.08Å |
| 277 | D | 91.7 | Very high | 94.2 | Very high | 101 Ų | 101 | 53.4 Ų | 53.4 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.8 | -36.3 | 176.6 | -69.4 | -29.9 | 0 | 0 | 0 | 111.9 | S273 C279 D280 L281 | S273-D277 PolarHBondContact O-N 3.35Å; D277-C279 VanDerWaalsContact C-N 3.27Å; D277-C279 PolarHBondContact O-N 2.87Å; D277-D280 PolarHBondContact O-N 3.15Å; D277-L281 PolarHBondContact O-N 2.97Å; D277-L281 VanDerWaalsContact O-N 3.13Å |
| 278 | C | 90.4 | Very high | 94.2 | Very high | 57 Ų | 57 | 58 Ų | 58 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.1 | -21.3 | 172 | -70.5 | 0 | 0 | 0 | 0 | 114.1 | S142 D274 I275 I276 | S142-C278 VanDerWaalsContact OG-C 3.25Å; S142-C278 WeakPolarHBondContact OG-CB 3.39Å; S142-C278 PolarHBondContact OG-O 3.49Å; D274-C278 WeakPolarHBondContact O-CB 3.47Å; D274-C278 PolarHBondContact O-N 2.96Å; D274-C278 PolarHBondContact O-SG 3.21Å; I275-C278 PolarHBondContact O-N 3.33Å; I276-C278 PolarHBondContact O-N 2.87Å |
| 279 | C | 88.7 | Confident | 94.2 | Very high | 10 Ų | 10 | 61.7 Ų | 61.7 | 7% | 0.068 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -81.7 | -26 | 173.9 | -65.1 | 0 | 0 | 0 | 0 | 112.7 | F139 S142 I275 I276 D277 | F139-C279 HydrophobicContact CD2-CB 4.44Å; S142-C279 WeakPolarHBondContact CB-SG 3.29Å; I275-C279 PolarHBondContact O-N 3.17Å; I275-C279 PolarHBondContact O-SG 3.21Å; I276-C279 WeakPolarHBondContact O-CA 3.4Å; I276-C279 VanDerWaalsContact O-CB 3.31Å; I276-C279 WeakPolarHBondContact O-CB 3.37Å; I276-C279 PolarHBondContact O-N 3.12Å; D277-C279 VanDerWaalsContact C-N 3.27Å; D277-C279 PolarHBondContact O-N 2.87Å |
| 280 | D | 84.8 | Confident | 94.3 | Very high | 27 Ų | 27 | 58.8 Ų | 58.8 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -98 | -0.8 | 179.7 | -84 | -68.4 | 0 | 0 | 0 | 114.6 | R42 I276 D277 G282 Y283 H284 | R42-D280 IonicContact CZ-OD1 2.66Å; R42-D280 IonicContact CZ-OD2 3.87Å; R42-D280 IonicContact NE-OD1 2.79Å; R42-D280 IonicContact NH1-OD1 2.67Å; R42-D280 PolarHBondContact NH1-OD1 2.93Å; R42-D280 IonicContact NH1-OD2 3.64Å; R42-D280 PolarHBondContact NH1-OD2 2.56Å; R42-D280 IonicContact NH2-OD1 2.93Å; R42-D280 PolarHBondContact NH2-OD1 3.41Å; R42-D280 IonicContact NH2-OD2 2.75Å; R42-D280 PolarHBondContact NH2-OD2 3.3Å; I276-D280 PolarHBondContact O-N 3.08Å; D277-D280 PolarHBondContact O-N 3.15Å; D280-G282 PolarHBondContact O-N 3.06Å; D280-Y283 WeakPolarHBondContact O-CB 3.27Å; D280-Y283 PolarHBondContact O-N 2.96Å; D280-H284 IonicContact OD1-CD2 2.74Å; D280-H284 IonicContact OD1-NE2 3.26Å; D280-H284 PolarHBondContact OD1-NE2 2.85Å |
| 281 | L | 90.5 | Very high | 94.4 | Very high | 113 Ų | 113 | 57.4 Ų | 57.4 | 59% | 0.592 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 100.1 | -174.7 | -174.1 | 63.9 | 0 | 0 | 0 | 113.1 | L138 D277 Y283 | L138-L281 HydrophobicContact CD1-CB 4.47Å; L138-L281 VanDerWaalsContact CD1-O 3.25Å; L138-L281 WeakPolarHBondContact CD1-O 3.03Å; L138-L281 HydrophobicContact CD2-CD2 4.22Å; D277-L281 PolarHBondContact O-N 2.97Å; D277-L281 VanDerWaalsContact O-N 3.13Å; L281-Y283 VanDerWaalsContact C-N 3.34Å; L281-Y283 PolarHBondContact O-N 2.84Å |
| 282 | G | 91.5 | Very high | 94.4 | Very high | 39 Ų | 39 | 63.7 Ų | 63.7 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -3.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | D280 S286 | D280-G282 PolarHBondContact O-N 3.06Å; G282-S286 VanDerWaalsContact O-CB 3.29Å; G282-S286 WeakPolarHBondContact O-CB 3.4Å; G282-S286 PolarHBondContact O-N 2.66Å; G282-S286 PolarHBondContact O-OG 3.37Å |
| 283 | Y | 95.1 | Very high | 94.6 | Very high | 14 Ų | 14 | 63.9 Ų | 63.9 | 6% | 0.055 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.4 | -62.6 | 178.5 | 169.4 | -115.2 | 0 | 0 | 0 | 111.1 | R42 L46 I131 D280 L281 A285 S286 L287 | R42-Y283 HydrophobicContact CG-CE1 4.25Å; L46-Y283 HydrophobicContact CD1-CE2 4.03Å; L46-Y283 HydrophobicContact CD2-CE2 4.28Å; L46-Y283 HydrophobicContact CG-CE2 4.27Å; I131-Y283 HydrophobicContact CG2-CD2 3.8Å; I131-Y283 HydrophobicContact CG2-CE2 4.22Å; D280-Y283 WeakPolarHBondContact O-CB 3.27Å; D280-Y283 PolarHBondContact O-N 2.96Å; L281-Y283 VanDerWaalsContact C-N 3.34Å; L281-Y283 PolarHBondContact O-N 2.84Å; Y283-A285 VanDerWaalsContact C-N 3.33Å; Y283-A285 PolarHBondContact O-N 3.44Å; Y283-S286 PolarHBondContact O-N 3.02Å; Y283-S286 VanDerWaalsContact O-N 3.13Å; Y283-L287 HydrophobicContact CE1-CD2 4.37Å; Y283-L287 HydrophobicContact CE2-CD2 4.41Å; Y283-L287 WeakPolarHBondContact O-CB 3.44Å; Y283-L287 PolarHBondContact O-N 3.24Å |
| 284 | H | 95.6 | Very high | 94.7 | Very high | 118 Ų | 118 | 63.9 Ų | 63.9 | 55% | 0.546 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.8 | -41.7 | -179.6 | -70 | -81.6 | 0 | 0 | 0 | 113 | D280 S286 H288 | D280-H284 IonicContact OD1-CD2 2.74Å; D280-H284 IonicContact OD1-NE2 3.26Å; D280-H284 PolarHBondContact OD1-NE2 2.85Å; H284-S286 VanDerWaalsContact C-N 3.33Å; H284-S286 PolarHBondContact O-N 3.32Å; H284-H288 VanDerWaalsContact O-CB 3.24Å; H284-H288 WeakPolarHBondContact O-CB 3.3Å; H284-H288 PolarHBondContact O-N 3.39Å |
| 285 | A | 96.5 | Very high | 94.8 | Very high | 61 Ų | 61 | 63.8 Ų | 63.8 | 50% | 0.504 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66 | -34.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y283 R289 | Y283-A285 VanDerWaalsContact C-N 3.33Å; Y283-A285 PolarHBondContact O-N 3.44Å; A285-R289 WeakPolarHBondContact O-CD 3.25Å; A285-R289 VanDerWaalsContact O-CG 3.29Å; A285-R289 WeakPolarHBondContact O-CG 3.38Å; A285-R289 PolarHBondContact O-N 3.42Å |
| 286 | S | 97 | Very high | 95 | Very high | 35 Ų | 35 | 66 Ų | 66 | 25% | 0.245 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -80.1 | -40.5 | 178.8 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | G282 Y283 H284 R289 A290 | G282-S286 VanDerWaalsContact O-CB 3.29Å; G282-S286 WeakPolarHBondContact O-CB 3.4Å; G282-S286 PolarHBondContact O-N 2.66Å; G282-S286 PolarHBondContact O-OG 3.37Å; Y283-S286 PolarHBondContact O-N 3.02Å; Y283-S286 VanDerWaalsContact O-N 3.13Å; H284-S286 VanDerWaalsContact C-N 3.33Å; H284-S286 PolarHBondContact O-N 3.32Å; S286-R289 PolarHBondContact O-N 3.04Å; S286-A290 PolarHBondContact O-N 3.15Å |
| 287 | L | 97.5 | Very high | 95.2 | Very high | 26 Ų | 26 | 63.1 Ų | 63.1 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 170.9 | 175.1 | 54.6 | 0 | 0 | 0 | 111.2 | L49 F128 Y283 R289 A290 L291 | L49-L287 HydrophobicContact CD1-CD1 4.06Å; F128-L287 HydrophobicContact CD1-CD1 4.47Å; F128-L287 HydrophobicContact CE1-CD1 3.7Å; Y283-L287 HydrophobicContact CE1-CD2 4.37Å; Y283-L287 HydrophobicContact CE2-CD2 4.41Å; Y283-L287 WeakPolarHBondContact O-CB 3.44Å; Y283-L287 PolarHBondContact O-N 3.24Å; L287-R289 VanDerWaalsContact C-N 3.32Å; L287-R289 PolarHBondContact O-N 3.02Å; L287-A290 PolarHBondContact O-N 2.87Å; L287-L291 HydrophobicContact CD1-CD1 3.85Å; L287-L291 HydrophobicContact CD1-CG 4.09Å; L287-L291 HydrophobicContact CG-CD1 4.16Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 2.81Å |
| 288 | H | 97.9 | Very high | 95.5 | Very high | 105 Ų | 105 | 60.8 Ų | 60.8 | 49% | 0.486 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -55.8 | -44.6 | 174.5 | -177.2 | 92.2 | 0 | 0 | 0 | 112 | H284 L291 R292 | H284-H288 VanDerWaalsContact O-CB 3.24Å; H284-H288 WeakPolarHBondContact O-CB 3.3Å; H284-H288 PolarHBondContact O-N 3.39Å; H288-L291 PolarHBondContact O-N 2.93Å; H288-R292 WeakPolarHBondContact NE2-CG 3.23Å; H288-R292 PolarHBondContact NE2-NE 3.23Å; H288-R292 WeakPolarHBondContact O-CB 3.48Å; H288-R292 WeakPolarHBondContact O-CG 3.34Å; H288-R292 PolarHBondContact O-N 3.45Å |
| 289 | R | 98 | Very high | 95.8 | Very high | 142 Ų | 142 | 64.4 Ų | 64.4 | 54% | 0.536 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | 178.3 | -75.4 | 167.9 | 60.2 | -126 | 0.8 | 112.9 | A285 S286 L287 T293 | A285-R289 WeakPolarHBondContact O-CD 3.25Å; A285-R289 VanDerWaalsContact O-CG 3.29Å; A285-R289 WeakPolarHBondContact O-CG 3.38Å; A285-R289 PolarHBondContact O-N 3.42Å; S286-R289 PolarHBondContact O-N 3.04Å; L287-R289 VanDerWaalsContact C-N 3.32Å; L287-R289 PolarHBondContact O-N 3.02Å; R289-T293 PolarHBondContact O-N 3.12Å; R289-T293 PolarHBondContact O-OG1 3.12Å |
| 290 | A | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R127 F128 S286 L287 T293 Y294 | R127-A290 HydrophobicContact CB-CB 4.19Å; F128-A290 HydrophobicContact CD1-CB 4.14Å; F128-A290 HydrophobicContact CE1-CB 3.46Å; F128-A290 VanDerWaalsContact CE1-CB 3.46Å; F128-A290 HydrophobicContact CZ-CB 3.74Å; S286-A290 PolarHBondContact O-N 3.15Å; L287-A290 PolarHBondContact O-N 2.87Å; A290-T293 VanDerWaalsContact O-CB 3.3Å; A290-T293 WeakPolarHBondContact O-CB 3.28Å; A290-T293 PolarHBondContact O-N 2.63Å; A290-T293 VanDerWaalsContact O-N 3.13Å; A290-Y294 PolarHBondContact O-N 3Å; A290-Y294 VanDerWaalsContact O-N 3.12Å |
| 291 | L | 98.1 | Very high | 96.9 | Very high | 65 Ų | 65 | 68.4 Ų | 68.4 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69 | -35.6 | 177.6 | -64.6 | 173.6 | 0 | 0 | 0 | 112.9 | F128 L287 H288 T293 Y294 L295 | F128-L291 HydrophobicContact CZ-CD2 4.23Å; L287-L291 HydrophobicContact CD1-CD1 3.85Å; L287-L291 HydrophobicContact CD1-CG 4.09Å; L287-L291 HydrophobicContact CG-CD1 4.16Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 2.81Å; H288-L291 PolarHBondContact O-N 2.93Å; L291-T293 VanDerWaalsContact C-N 3.28Å; L291-T293 PolarHBondContact O-N 2.93Å; L291-Y294 WeakPolarHBondContact O-CB 3.46Å; L291-Y294 PolarHBondContact O-N 3.39Å; L291-L295 WeakPolarHBondContact O-CG 3.43Å; L291-L295 PolarHBondContact O-N 3.3Å |
| 292 | R | 98 | Very high | 97.2 | Very high | 152 Ų | 152 | 67.7 Ų | 67.7 | 57% | 0.574 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.8 | -32.1 | 169.2 | -77.5 | -68.4 | -166.2 | 178.4 | 1.1 | 112.6 | H288 S296 | H288-R292 WeakPolarHBondContact NE2-CG 3.23Å; H288-R292 PolarHBondContact NE2-NE 3.23Å; H288-R292 WeakPolarHBondContact O-CB 3.48Å; H288-R292 WeakPolarHBondContact O-CG 3.34Å; H288-R292 PolarHBondContact O-N 3.45Å; R292-S296 VanDerWaalsContact O-CB 3.24Å; R292-S296 WeakPolarHBondContact O-CB 3.3Å; R292-S296 PolarHBondContact O-N 3.43Å |
| 293 | T | 98 | Very high | 97.5 | Very high | 37 Ų | 37 | 69.5 Ų | 69.5 | 23% | 0.227 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 173.8 | -53.4 | 0 | 0 | 0 | 0 | 110.9 | I124 R289 A290 L291 A297 | I124-T293 HydrophobicContact CD1-CG2 4.34Å; I124-T293 HydrophobicContact CG1-CG2 4.14Å; R289-T293 PolarHBondContact O-N 3.12Å; R289-T293 PolarHBondContact O-OG1 3.12Å; A290-T293 VanDerWaalsContact O-CB 3.3Å; A290-T293 WeakPolarHBondContact O-CB 3.28Å; A290-T293 PolarHBondContact O-N 2.63Å; A290-T293 VanDerWaalsContact O-N 3.13Å; L291-T293 VanDerWaalsContact C-N 3.28Å; L291-T293 PolarHBondContact O-N 2.93Å; T293-A297 WeakPolarHBondContact O-CB 3.4Å; T293-A297 PolarHBondContact O-N 3.07Å; T293-A297 VanDerWaalsContact O-N 3.12Å |
| 294 | Y | 98 | Very high | 97.7 | Very high | 60 Ų | 60 | 70.4 Ų | 70.4 | 24% | 0.235 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.6 | -55.9 | 171.4 | 165.5 | -109.8 | 0 | 0 | 0 | 112 | F53 K56 Y120 A290 L291 S296 A297 E298 | F53-Y294 AromaticContact CE1-CD2 3.4Å; F53-Y294 HydrophobicContact CE1-CD2 3.4Å; F53-Y294 VanDerWaalsContact CE1-CD2 3.4Å; F53-Y294 AromaticContact CE1-CE2 3.82Å; F53-Y294 HydrophobicContact CE1-CE2 3.82Å; F53-Y294 HydrophobicContact CE1-CG 4.02Å; F53-Y294 HydrophobicContact CZ-CD1 4.43Å; F53-Y294 AromaticContact CZ-CD2 3.63Å; F53-Y294 HydrophobicContact CZ-CD2 3.63Å; F53-Y294 HydrophobicContact CZ-CE2 4.09Å; F53-Y294 AromaticContact CZ-CG 3.78Å; F53-Y294 HydrophobicContact CZ-CG 3.78Å; K56-Y294 HydrophobicContact CD-CE2 4.38Å; Y120-Y294 AromaticContact CE1-CD2 3.9Å; Y120-Y294 HydrophobicContact CE1-CD2 3.9Å; Y120-Y294 HydrophobicContact CE1-CE2 4.39Å; A290-Y294 PolarHBondContact O-N 3Å; A290-Y294 VanDerWaalsContact O-N 3.12Å; L291-Y294 WeakPolarHBondContact O-CB 3.46Å; L291-Y294 PolarHBondContact O-N 3.39Å; Y294-S296 VanDerWaalsContact C-N 3.28Å; Y294-S296 PolarHBondContact O-N 3.17Å; Y294-A297 WeakPolarHBondContact O-CB 3.47Å; Y294-A297 PolarHBondContact O-N 3.44Å; Y294-E298 HydrophobicContact CD2-CG 4.05Å; Y294-E298 HydrophobicContact CE1-CG 4.36Å; Y294-E298 HydrophobicContact CE2-CG 3.66Å; Y294-E298 WeakPolarHBondContact CE2-OE1 3.3Å; Y294-E298 PolarHBondContact O-N 2.99Å |
| 295 | L | 98.3 | Very high | 97.8 | Very high | 92 Ų | 92 | 67.7 Ų | 67.7 | 48% | 0.482 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.9 | -39.3 | -178.2 | -67.9 | 170.5 | 0 | 0 | 0 | 112.3 | L291 Q299 | L291-L295 WeakPolarHBondContact O-CG 3.43Å; L291-L295 PolarHBondContact O-N 3.3Å; L295-Q299 WeakPolarHBondContact O-CB 3.46Å; L295-Q299 PolarHBondContact O-N 3.2Å |
| 296 | S | 98.3 | Very high | 97.8 | Very high | 62 Ų | 62 | 70.3 Ų | 70.3 | 43% | 0.434 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 175.7 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | R292 Y294 N300 | R292-S296 VanDerWaalsContact O-CB 3.24Å; R292-S296 WeakPolarHBondContact O-CB 3.3Å; R292-S296 PolarHBondContact O-N 3.43Å; Y294-S296 VanDerWaalsContact C-N 3.28Å; Y294-S296 PolarHBondContact O-N 3.17Å; S296-N300 PolarHBondContact O-N 3.34Å; S296-N300 VanDerWaalsContact O-N 3.12Å; S296-N300 PolarHBondContact O-ND2 3.35Å |
| 297 | A | 97.7 | Very high | 97.8 | Very high | 10 Ų | 10 | 71.3 Ų | 71.3 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.2 | -47.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L116 L119 T293 Y294 Q299 N300 V301 | L116-A297 HydrophobicContact CD1-CB 3.62Å; L119-A297 HydrophobicContact CD1-CB 3.93Å; T293-A297 WeakPolarHBondContact O-CB 3.4Å; T293-A297 PolarHBondContact O-N 3.07Å; T293-A297 VanDerWaalsContact O-N 3.12Å; Y294-A297 WeakPolarHBondContact O-CB 3.47Å; Y294-A297 PolarHBondContact O-N 3.44Å; A297-Q299 PolarHBondContact O-N 3.01Å; A297-N300 PolarHBondContact O-N 3.04Å; A297-V301 WeakPolarHBondContact O-CG2 3.44Å; A297-V301 PolarHBondContact O-N 3.31Å; A297-V301 VanDerWaalsContact O-N 3.1Å |
| 298 | E | 97.2 | Very high | 97.8 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 24% | 0.238 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.9 | -46.2 | 175.4 | -63.7 | -68 | 173.3 | 0 | 0 | 111.6 | K56 Y120 Y294 N300 V301 E302 | K56-E298 IonicContact NZ-OE1 3.74Å; K56-E298 PolarHBondContact NZ-OE1 2.88Å; Y120-E298 PolarHBondContact OH-OE1 3.43Å; Y294-E298 HydrophobicContact CD2-CG 4.05Å; Y294-E298 HydrophobicContact CE1-CG 4.36Å; Y294-E298 HydrophobicContact CE2-CG 3.66Å; Y294-E298 WeakPolarHBondContact CE2-OE1 3.3Å; Y294-E298 PolarHBondContact O-N 2.99Å; E298-N300 VanDerWaalsContact C-N 3.33Å; E298-N300 PolarHBondContact O-N 2.88Å; E298-V301 PolarHBondContact O-N 3.42Å; E298-V301 VanDerWaalsContact O-N 3.17Å; E298-E302 PolarHBondContact O-N 3.44Å |
| 299 | Q | 98 | Very high | 97.8 | Very high | 133 Ų | 133 | 68.8 Ų | 68.8 | 62% | 0.621 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.1 | -41.5 | 178 | -173.4 | 179.5 | 7 | 0 | 0 | 112.2 | L295 A297 E302 T303 | L295-Q299 WeakPolarHBondContact O-CB 3.46Å; L295-Q299 PolarHBondContact O-N 3.2Å; A297-Q299 PolarHBondContact O-N 3.01Å; Q299-E302 PolarHBondContact O-N 2.97Å; Q299-T303 WeakPolarHBondContact O-CB 3.38Å; Q299-T303 PolarHBondContact O-N 2.86Å; Q299-T303 PolarHBondContact O-OG1 3.12Å |
| 300 | N | 97.6 | Very high | 97.7 | Very high | 103 Ų | 103 | 67 Ų | 67 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.7 | -35.6 | 177.6 | -83.8 | -93.6 | 0 | 0 | 0 | 112.6 | S296 A297 E298 S304 | S296-N300 PolarHBondContact O-N 3.34Å; S296-N300 VanDerWaalsContact O-N 3.12Å; S296-N300 PolarHBondContact O-ND2 3.35Å; A297-N300 PolarHBondContact O-N 3.04Å; E298-N300 VanDerWaalsContact C-N 3.33Å; E298-N300 PolarHBondContact O-N 2.88Å; N300-S304 VanDerWaalsContact O-CB 3.29Å; N300-S304 WeakPolarHBondContact O-CB 3.47Å; N300-S304 PolarHBondContact O-N 3.22Å |
| 301 | V | 97.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 70 Ų | 70 | 11% | 0.109 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 175.4 | 174 | 0 | 0 | 0 | 0 | 110.5 | D112 L116 A297 E298 S304 K305 | D112-V301 HydrophobicContact CB-CG1 4.26Å; D112-V301 HydrophobicContact CB-CG2 4.31Å; L116-V301 HydrophobicContact CB-CG2 4.36Å; L116-V301 HydrophobicContact CD1-CG2 4.33Å; L116-V301 HydrophobicContact CD2-CG2 4.32Å; A297-V301 WeakPolarHBondContact O-CG2 3.44Å; A297-V301 PolarHBondContact O-N 3.31Å; A297-V301 VanDerWaalsContact O-N 3.1Å; E298-V301 PolarHBondContact O-N 3.42Å; E298-V301 VanDerWaalsContact O-N 3.17Å; V301-S304 PolarHBondContact O-N 2.91Å; V301-K305 VanDerWaalsContact O-CB 3.31Å; V301-K305 WeakPolarHBondContact O-CB 3.35Å; V301-K305 PolarHBondContact O-N 2.97Å |
| 302 | E | 97.5 | Very high | 97.6 | Very high | 99 Ų | 99 | 68.5 Ų | 68.5 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.3 | -36.7 | 178.9 | -165.4 | 55.6 | -126.4 | 0 | 0 | 112.1 | E298 Q299 K305 H306 | E298-E302 PolarHBondContact O-N 3.44Å; Q299-E302 PolarHBondContact O-N 2.97Å; E302-K305 PolarHBondContact O-N 3.2Å; E302-K305 IonicContact OE1-NZ 2.63Å; E302-K305 PolarHBondContact OE1-NZ 2.82Å; E302-K305 IonicContact OE2-NZ 3.63Å; E302-K305 PolarHBondContact OE2-NZ 3.41Å; E302-H306 WeakPolarHBondContact O-CB 3.43Å; E302-H306 PolarHBondContact O-N 3.34Å |
| 303 | T | 98.1 | Very high | 97.5 | Very high | 77 Ų | 77 | 67.2 Ų | 67.2 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 170.5 | -56.4 | 0 | 0 | 0 | 0 | 112 | Q299 K305 H306 T307 | Q299-T303 WeakPolarHBondContact O-CB 3.38Å; Q299-T303 PolarHBondContact O-N 2.86Å; Q299-T303 PolarHBondContact O-OG1 3.12Å; T303-K305 VanDerWaalsContact C-N 3.29Å; T303-K305 PolarHBondContact O-N 3.2Å; T303-H306 PolarHBondContact O-N 2.88Å; T303-T307 PolarHBondContact O-N 2.93Å; T303-T307 VanDerWaalsContact O-N 3.08Å; T303-T307 PolarHBondContact O-OG1 3.32Å |
| 304 | S | 98.1 | Very high | 97.4 | Very high | 32 Ų | 32 | 67.1 Ų | 67.1 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 177.5 | -178 | 0 | 0 | 0 | 0 | 111.8 | R108 D112 N300 V301 G308 | R108-S304 WeakPolarHBondContact CD-O 3.49Å; R108-S304 WeakPolarHBondContact CD-OG 3.28Å; R108-S304 PolarHBondContact NH1-O 2.88Å; D112-S304 VanDerWaalsContact OD2-CB 3.25Å; D112-S304 WeakPolarHBondContact OD2-CB 3.42Å; D112-S304 PolarHBondContact OD2-OG 2.95Å; N300-S304 VanDerWaalsContact O-CB 3.29Å; N300-S304 WeakPolarHBondContact O-CB 3.47Å; N300-S304 PolarHBondContact O-N 3.22Å; V301-S304 PolarHBondContact O-N 2.91Å; S304-G308 PolarHBondContact O-N 2.98Å |
| 305 | K | 97.3 | Very high | 97.3 | Very high | 61 Ų | 61 | 64.6 Ų | 64.6 | 27% | 0.265 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.9 | -50.4 | 174.9 | 169.5 | 164.8 | 158.4 | -91.9 | 0 | 111.7 | Q105 V301 E302 T303 G308 L309 | Q105-K305 PolarHBondContact NE2-O 2.9Å; V301-K305 VanDerWaalsContact O-CB 3.31Å; V301-K305 WeakPolarHBondContact O-CB 3.35Å; V301-K305 PolarHBondContact O-N 2.97Å; E302-K305 PolarHBondContact O-N 3.2Å; E302-K305 IonicContact OE1-NZ 2.63Å; E302-K305 PolarHBondContact OE1-NZ 2.82Å; E302-K305 IonicContact OE2-NZ 3.63Å; E302-K305 PolarHBondContact OE2-NZ 3.41Å; T303-K305 VanDerWaalsContact C-N 3.29Å; T303-K305 PolarHBondContact O-N 3.2Å; K305-G308 CarbonylContact O-C 3.57Å; K305-G308 WeakPolarHBondContact O-CA 3.4Å; K305-G308 PolarHBondContact O-N 3.49Å; K305-L309 HydrophobicContact CG-CD1 4.11Å; K305-L309 WeakPolarHBondContact O-CG 3.48Å; K305-L309 PolarHBondContact O-N 3.12Å |
| 306 | H | 97.9 | Very high | 97.1 | Very high | 116 Ų | 116 | 62.6 Ų | 62.6 | 54% | 0.537 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.8 | -53.2 | 179.4 | 177.6 | 55.2 | 0 | 0 | 0 | 112.5 | E302 T303 G308 L309 E310 | E302-H306 WeakPolarHBondContact O-CB 3.43Å; E302-H306 PolarHBondContact O-N 3.34Å; T303-H306 PolarHBondContact O-N 2.88Å; H306-G308 PolarHBondContact O-N 3.32Å; H306-G308 VanDerWaalsContact O-N 3.1Å; H306-L309 PolarHBondContact O-N 3.04Å; H306-E310 WeakPolarHBondContact O-CB 3.32Å; H306-E310 PolarHBondContact O-N 3.42Å |
| 307 | T | 97.3 | Very high | 96.9 | Very high | 57 Ų | 57 | 67.3 Ų | 67.3 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.9 | -26.9 | 175.5 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | T303 E310 T311 | T303-T307 PolarHBondContact O-N 2.93Å; T303-T307 VanDerWaalsContact O-N 3.08Å; T303-T307 PolarHBondContact O-OG1 3.32Å; T307-E310 WeakPolarHBondContact CA-OE2 3.49Å; T307-T311 PolarHBondContact O-N 2.86Å; T307-T311 PolarHBondContact O-OG1 3.47Å |
| 308 | G | 96.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 69.6 Ų | 69.6 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -78.2 | -30 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S304 K305 H306 L312 | S304-G308 PolarHBondContact O-N 2.98Å; K305-G308 CarbonylContact O-C 3.57Å; K305-G308 WeakPolarHBondContact O-CA 3.4Å; K305-G308 PolarHBondContact O-N 3.49Å; H306-G308 PolarHBondContact O-N 3.32Å; H306-G308 VanDerWaalsContact O-N 3.1Å; G308-L312 PolarHBondContact O-N 2.94Å |
| 309 | L | 97.6 | Very high | 96.5 | Very high | 74 Ų | 74 | 71 Ų | 71 | 39% | 0.387 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -75.7 | -44.9 | 171.6 | -66.4 | 172.1 | 0 | 0 | 0 | 111 | Q105 K305 H306 T311 L312 E313 | Q105-L309 HydrophobicContact CG-CD2 4.42Å; K305-L309 HydrophobicContact CG-CD1 4.11Å; K305-L309 WeakPolarHBondContact O-CG 3.48Å; K305-L309 PolarHBondContact O-N 3.12Å; H306-L309 PolarHBondContact O-N 3.04Å; L309-T311 VanDerWaalsContact C-N 3.26Å; L309-T311 PolarHBondContact O-N 3.21Å; L309-L312 CarbonylContact O-C 3.59Å; L309-L312 WeakPolarHBondContact O-CA 3.47Å; L309-L312 WeakPolarHBondContact O-CB 3.26Å; L309-L312 PolarHBondContact O-N 3.15Å; L309-E313 WeakPolarHBondContact O-CB 3.33Å; L309-E313 PolarHBondContact O-N 3.44Å |
| 310 | E | 97.8 | Very high | 96.1 | Very high | 103 Ų | 103 | 69.4 Ų | 69.4 | 48% | 0.481 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -51 | -43.9 | 170.8 | 177.6 | -171.1 | -156.2 | 0 | 0 | 111.7 | H306 T307 L312 E313 G314 | H306-E310 WeakPolarHBondContact O-CB 3.32Å; H306-E310 PolarHBondContact O-N 3.42Å; T307-E310 WeakPolarHBondContact CA-OE2 3.49Å; E310-L312 VanDerWaalsContact C-N 3.27Å; E310-L312 PolarHBondContact O-N 2.8Å; E310-E313 PolarHBondContact O-N 2.59Å; E310-G314 PolarHBondContact O-N 3.03Å; E310-G314 VanDerWaalsContact O-N 3.08Å |
| 311 | T | 96.2 | Very high | 95.8 | Very high | 64 Ų | 64 | 69.6 Ų | 69.6 | 39% | 0.393 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.8 | -29.4 | 175.2 | -54.8 | 0 | 0 | 0 | 0 | 112.9 | L101 T307 L309 A315 | L101-T311 HydrophobicContact CD2-CG2 4.08Å; T307-T311 PolarHBondContact O-N 2.86Å; T307-T311 PolarHBondContact O-OG1 3.47Å; L309-T311 VanDerWaalsContact C-N 3.26Å; L309-T311 PolarHBondContact O-N 3.21Å; T311-A315 WeakPolarHBondContact O-CB 3.32Å |
| 312 | L | 96.2 | Very high | 95.5 | Very high | 34 Ų | 34 | 74 Ų | 74 | 18% | 0.178 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -85.9 | -32.5 | 178.5 | 177.7 | 62 | 0 | 0 | 0 | 112 | C98 L101 L102 G308 L309 E310 A315 A316 | C98-L312 HydrophobicContact CB-CD1 4.42Å; C98-L312 WeakPolarHBondContact O-CD1 3.35Å; L101-L312 HydrophobicContact CB-CD1 4Å; L102-L312 HydrophobicContact CB-CD1 4.24Å; L102-L312 HydrophobicContact CB-CD2 4.18Å; L102-L312 HydrophobicContact CD1-CD2 3.87Å; G308-L312 PolarHBondContact O-N 2.94Å; L309-L312 CarbonylContact O-C 3.59Å; L309-L312 WeakPolarHBondContact O-CA 3.47Å; L309-L312 WeakPolarHBondContact O-CB 3.26Å; L309-L312 PolarHBondContact O-N 3.15Å; E310-L312 VanDerWaalsContact C-N 3.27Å; E310-L312 PolarHBondContact O-N 2.8Å; L312-A315 WeakPolarHBondContact O-CB 3.47Å; L312-A315 PolarHBondContact O-N 3.26Å; L312-A316 PolarHBondContact O-N 3.26Å |
| 313 | E | 96.6 | Very high | 95.2 | Very high | 125 Ų | 125 | 69.9 Ų | 69.9 | 58% | 0.584 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.1 | -57.5 | 176.8 | -176.9 | 162.5 | -127.3 | 0 | 0 | 110.5 | L309 E310 A315 A316 E317 | L309-E313 WeakPolarHBondContact O-CB 3.33Å; L309-E313 PolarHBondContact O-N 3.44Å; E310-E313 PolarHBondContact O-N 2.59Å; E313-A315 PolarHBondContact O-N 3.1Å; E313-A315 VanDerWaalsContact O-N 3.08Å; E313-A316 CarbonylContact O-C 3.57Å; E313-A316 WeakPolarHBondContact O-CA 3.42Å; E313-A316 WeakPolarHBondContact O-CB 3.46Å; E313-A316 PolarHBondContact O-N 2.95Å; E313-E317 PolarHBondContact O-N 3.42Å |
| 314 | G | 96.3 | Very high | 94.9 | Very high | 34 Ų | 34 | 67.3 Ų | 67.3 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -24.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E310 S318 | E310-G314 PolarHBondContact O-N 3.03Å; E310-G314 VanDerWaalsContact O-N 3.08Å; G314-S318 WeakPolarHBondContact O-CB 3.48Å; G314-S318 PolarHBondContact O-N 3.38Å; G314-S318 VanDerWaalsContact O-N 3.07Å; G314-S318 PolarHBondContact O-OG 3.29Å |
| 315 | A | 94.4 | Very high | 94.6 | Very high | 7 Ų | 7 | 71 Ų | 71 | 6% | 0.058 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -73.4 | -37 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C98 L101 T311 L312 E313 S318 | C98-A315 PolarHBondContact SG-O 3.4Å; L101-A315 HydrophobicContact CD1-CB 3.37Å; T311-A315 WeakPolarHBondContact O-CB 3.32Å; L312-A315 WeakPolarHBondContact O-CB 3.47Å; L312-A315 PolarHBondContact O-N 3.26Å; E313-A315 PolarHBondContact O-N 3.1Å; E313-A315 VanDerWaalsContact O-N 3.08Å; A315-S318 WeakPolarHBondContact CA-OG 3.25Å; A315-S318 PolarHBondContact O-N 3.08Å; A315-S318 PolarHBondContact O-OG 3.2Å |
| 316 | A | 94.9 | Very high | 94.2 | Very high | 51 Ų | 51 | 73.6 Ų | 73.6 | 42% | 0.421 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.9 | -35.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L312 E313 S318 L319 | L312-A316 PolarHBondContact O-N 3.26Å; E313-A316 CarbonylContact O-C 3.57Å; E313-A316 WeakPolarHBondContact O-CA 3.42Å; E313-A316 WeakPolarHBondContact O-CB 3.46Å; E313-A316 PolarHBondContact O-N 2.95Å; A316-S318 VanDerWaalsContact C-N 3.31Å; A316-L319 WeakPolarHBondContact O-CB 3.29Å; A316-L319 WeakPolarHBondContact O-CD1 3.42Å; A316-L319 WeakPolarHBondContact O-CG 3.4Å; A316-L319 PolarHBondContact O-N 2.88Å |
| 317 | E | 94.4 | Very high | 93.7 | Very high | 160 Ų | 160 | 71 Ų | 71 | 75% | 0.748 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62 | -38.8 | 167.8 | -64.2 | 178.9 | 152.3 | 0 | 0 | 111.5 | E313 L319 | E313-E317 PolarHBondContact O-N 3.42Å; E317-L319 PolarHBondContact O-N 2.8Å |
| 318 | S | 91.8 | Very high | 93.2 | Very high | 59 Ų | 59 | 72.7 Ų | 72.7 | 41% | 0.413 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 20.3 | 178.4 | 79.4 | 0 | 0 | 0 | 0 | 115.7 | G314 A315 A316 E320 | G314-S318 WeakPolarHBondContact O-CB 3.48Å; G314-S318 PolarHBondContact O-N 3.38Å; G314-S318 VanDerWaalsContact O-N 3.07Å; G314-S318 PolarHBondContact O-OG 3.29Å; A315-S318 WeakPolarHBondContact CA-OG 3.25Å; A315-S318 PolarHBondContact O-N 3.08Å; A315-S318 PolarHBondContact O-OG 3.2Å; A316-S318 VanDerWaalsContact C-N 3.31Å; S318-E320 PolarHBondContact O-N 2.92Å |
| 319 | L | 94 | Very high | 93 | Very high | 81 Ų | 81 | 76.9 Ų | 76.9 | 42% | 0.424 | 41% | 0.412 | S | S | . | . | trans | -70.5 | 111.7 | 175.7 | -76 | 174.3 | 0 | 0 | 0 | 110.6 | P95 A316 E317 P321 | P95-L319 HydrophobicContact CB-CD2 4.28Å; P95-L319 HydrophobicContact CG-CD2 3.93Å; A316-L319 WeakPolarHBondContact O-CB 3.29Å; A316-L319 WeakPolarHBondContact O-CD1 3.42Å; A316-L319 WeakPolarHBondContact O-CG 3.4Å; A316-L319 PolarHBondContact O-N 2.88Å; E317-L319 PolarHBondContact O-N 2.8Å; L319-P321 WeakPolarHBondContact O-CD 3.45Å | ||
| 320 | E | 90.6 | Very high | 92.5 | Very high | 99 Ų | 99 | 78.1 Ų | 78.1 | 46% | 0.463 | 42% | 0.416 | S | S | . | . | trans | -112.6 | 87.1 | -174.8 | -68.2 | -169.5 | 126.8 | 0 | 0 | 113 | S94 S318 N322 G323 D324 K327 | S94-E320 PolarHBondContact OG-N 3.03Å; S318-E320 PolarHBondContact O-N 2.92Å; E320-N322 PolarHBondContact O-N 2.98Å; E320-G323 PolarHBondContact O-N 3.14Å; E320-D324 WeakPolarHBondContact O-CB 3.27Å; E320-D324 PolarHBondContact O-N 3.06Å; E320-K327 IonicContact OE2-NZ 3.93Å; E320-K327 PolarHBondContact OE2-NZ 3.09Å | ||
| 321 | P | 90.9 | Very high | 91.9 | Very high | 106 Ų | 106 | 76.8 Ų | 76.8 | 69% | 0.688 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -56.4 | -35.6 | 175 | -26.8 | 33.8 | 0 | 0 | 0 | 113.9 | L319 K325 | L319-P321 WeakPolarHBondContact O-CD 3.45Å; P321-K325 VanDerWaalsContact O-CB 3.26Å; P321-K325 WeakPolarHBondContact O-CB 3.45Å; P321-K325 PolarHBondContact O-N 3.35Å; P321-K325 VanDerWaalsContact O-N 3.17Å |
| 322 | N | 91.8 | Very high | 91.4 | Very high | 111 Ų | 111 | 79.7 Ų | 79.7 | 59% | 0.594 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -78 | -39.5 | 177.9 | -78.8 | -50 | 0 | 0 | 0 | 112.9 | E320 K325 Q326 | E320-N322 PolarHBondContact O-N 2.98Å; N322-K325 PolarHBondContact O-N 3.13Å; N322-K325 PolarHBondContact OD1-NZ 3.35Å; N322-Q326 PolarHBondContact O-N 3.43Å |
| 323 | G | 90.5 | Very high | 91.1 | Very high | 13 Ų | 13 | 82.5 Ų | 82.5 | 13% | 0.134 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E320 Q326 K327 | E320-G323 PolarHBondContact O-N 3.14Å; G323-Q326 PolarHBondContact O-N 2.87Å; G323-K327 WeakPolarHBondContact O-CB 3.4Å; G323-K327 VanDerWaalsContact O-CD 3.31Å; G323-K327 WeakPolarHBondContact O-CD 3.35Å; G323-K327 WeakPolarHBondContact O-CG 3.33Å; G323-K327 PolarHBondContact O-N 2.92Å |
| 324 | D | 91.6 | Very high | 90.8 | Very high | 23 Ų | 23 | 83.8 Ų | 83.8 | 12% | 0.123 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -66 | -37.4 | 175.9 | -78.8 | -8.4 | 0 | 0 | 0 | 113 | S93 S94 P95 E320 K327 L328 | S93-D324 VanDerWaalsContact CA-OD1 3.3Å; S93-D324 WeakPolarHBondContact CA-OD1 3.18Å; S93-D324 WeakPolarHBondContact CB-OD2 3.38Å; S93-D324 VanDerWaalsContact OG-CG 3.27Å; S93-D324 PolarHBondContact OG-OD2 3.01Å; S94-D324 VanDerWaalsContact N-CG 3.31Å; S94-D324 PolarHBondContact N-OD1 3.24Å; S94-D324 PolarHBondContact N-OD2 3.4Å; S94-D324 PolarHBondContact OG-OD2 3.46Å; P95-D324 WeakPolarHBondContact CD-OD2 3.45Å; E320-D324 WeakPolarHBondContact O-CB 3.27Å; E320-D324 PolarHBondContact O-N 3.06Å; D324-K327 PolarHBondContact O-N 2.86Å; D324-L328 VanDerWaalsContact O-CB 3.26Å; D324-L328 WeakPolarHBondContact O-CB 3.37Å; D324-L328 PolarHBondContact O-N 3.18Å |
| 325 | K | 91.3 | Very high | 90.7 | Very high | 110 Ų | 110 | 87.2 Ų | 87.2 | 48% | 0.478 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 171.8 | 178.7 | -167.3 | 75.2 | -165.2 | 0 | 111.7 | P321 N322 L328 M329 | P321-K325 VanDerWaalsContact O-CB 3.26Å; P321-K325 WeakPolarHBondContact O-CB 3.45Å; P321-K325 PolarHBondContact O-N 3.35Å; P321-K325 VanDerWaalsContact O-N 3.17Å; N322-K325 PolarHBondContact O-N 3.13Å; N322-K325 PolarHBondContact OD1-NZ 3.35Å; K325-L328 PolarHBondContact O-N 3.32Å; K325-M329 WeakPolarHBondContact O-CG 3.5Å; K325-M329 PolarHBondContact O-N 3.4Å |
| 326 | Q | 90.1 | Very high | 90.6 | Very high | 114 Ų | 114 | 91.7 Ų | 91.7 | 53% | 0.533 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.3 | -53 | 175.7 | 174.2 | 171.5 | -13.6 | 0 | 0 | 111.1 | N322 G323 L328 M329 E330 | N322-Q326 PolarHBondContact O-N 3.43Å; G323-Q326 PolarHBondContact O-N 2.87Å; Q326-L328 PolarHBondContact O-N 2.87Å; Q326-L328 VanDerWaalsContact O-N 3.17Å; Q326-M329 PolarHBondContact O-N 3.12Å; Q326-E330 VanDerWaalsContact CG-CD 3.48Å; Q326-E330 HydrophobicContact CG-CG 4.34Å; Q326-E330 WeakPolarHBondContact CG-OE1 3.45Å; Q326-E330 PolarHBondContact NE2-OE1 3.29Å; Q326-E330 WeakPolarHBondContact O-CG 3.48Å; Q326-E330 PolarHBondContact O-N 2.86Å |
| 327 | K | 86.7 | Confident | 90.5 | Very high | 63 Ų | 63 | 92.2 Ų | 92.2 | 27% | 0.274 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -52.4 | -38.5 | 175.9 | -70.8 | 158.7 | -169.4 | 156.9 | 0 | 111.9 | T91 E320 G323 D324 T331 | T91-K327 HydrophobicContact CG2-CB 3.87Å; T91-K327 HydrophobicContact CG2-CD 4.29Å; T91-K327 HydrophobicContact CG2-CG 3.95Å; E320-K327 IonicContact OE2-NZ 3.93Å; E320-K327 PolarHBondContact OE2-NZ 3.09Å; G323-K327 WeakPolarHBondContact O-CB 3.4Å; G323-K327 VanDerWaalsContact O-CD 3.31Å; G323-K327 WeakPolarHBondContact O-CD 3.35Å; G323-K327 WeakPolarHBondContact O-CG 3.33Å; G323-K327 PolarHBondContact O-N 2.92Å; D324-K327 PolarHBondContact O-N 2.86Å; K327-T331 VanDerWaalsContact O-CB 3.22Å; K327-T331 WeakPolarHBondContact O-CB 3.26Å; K327-T331 PolarHBondContact O-N 3Å; K327-T331 PolarHBondContact O-OG1 2.82Å |
| 328 | L | 87.9 | Confident | 90.3 | Very high | 92 Ų | 92 | 90.1 Ų | 90.1 | 48% | 0.482 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.3 | -47.7 | 174.4 | -178.2 | 71.7 | 0 | 0 | 0 | 112.3 | D324 K325 Q326 E330 T331 Y332 | D324-L328 VanDerWaalsContact O-CB 3.26Å; D324-L328 WeakPolarHBondContact O-CB 3.37Å; D324-L328 PolarHBondContact O-N 3.18Å; K325-L328 PolarHBondContact O-N 3.32Å; Q326-L328 PolarHBondContact O-N 2.87Å; Q326-L328 VanDerWaalsContact O-N 3.17Å; L328-E330 VanDerWaalsContact C-N 3.31Å; L328-E330 PolarHBondContact O-N 3.49Å; L328-T331 PolarHBondContact O-N 2.74Å; L328-Y332 HydrophobicContact CD1-CD2 3.73Å; L328-Y332 HydrophobicContact CD1-CE2 3.79Å; L328-Y332 HydrophobicContact CG-CD2 4.47Å; L328-Y332 WeakPolarHBondContact O-CD2 3.38Å; L328-Y332 PolarHBondContact O-N 3.3Å |
| 329 | M | 90.8 | Very high | 90.3 | Very high | 91 Ų | 91 | 92.7 Ų | 92.7 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.7 | -35.1 | 179.1 | -72.1 | -179.7 | 68 | 0 | 0 | 112.5 | K325 Q326 Y332 N333 F336 | K325-M329 WeakPolarHBondContact O-CG 3.5Å; K325-M329 PolarHBondContact O-N 3.4Å; Q326-M329 PolarHBondContact O-N 3.12Å; M329-Y332 CarbonylContact O-C 3.34Å; M329-N333 WeakPolarHBondContact O-CA 3.46Å; M329-N333 PolarHBondContact O-N 3.27Å; M329-F336 HydrophobicContact CB-CD2 4.32Å; M329-F336 HydrophobicContact CE-CB 4.3Å; M329-F336 HydrophobicContact CG-CD2 4.17Å; M329-F336 HydrophobicContact CG-CG 4.22Å |
| 330 | E | 87.6 | Confident | 90.2 | Very high | 100 Ų | 100 | 93 Ų | 93 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.8 | -47.8 | 175.4 | -69.6 | 162.3 | 165.8 | 0 | 0 | 111.8 | Q326 L328 Y332 N333 | Q326-E330 VanDerWaalsContact CG-CD 3.48Å; Q326-E330 HydrophobicContact CG-CG 4.34Å; Q326-E330 WeakPolarHBondContact CG-OE1 3.45Å; Q326-E330 PolarHBondContact NE2-OE1 3.29Å; Q326-E330 WeakPolarHBondContact O-CG 3.48Å; Q326-E330 PolarHBondContact O-N 2.86Å; L328-E330 VanDerWaalsContact C-N 3.31Å; L328-E330 PolarHBondContact O-N 3.49Å; E330-Y332 PolarHBondContact O-N 3.07Å; E330-N333 WeakPolarHBondContact O-CB 3.42Å; E330-N333 PolarHBondContact O-N 3.36Å; E330-N333 VanDerWaalsContact O-N 3.17Å |
| 331 | T | 85.4 | Confident | 90.3 | Very high | 76 Ų | 76 | 99.2 Ų | 99.2 | 47% | 0.466 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.1 | -35.6 | 177.8 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | K327 L328 | K327-T331 VanDerWaalsContact O-CB 3.22Å; K327-T331 WeakPolarHBondContact O-CB 3.26Å; K327-T331 PolarHBondContact O-N 3Å; K327-T331 PolarHBondContact O-OG1 2.82Å; L328-T331 PolarHBondContact O-N 2.74Å |
| 332 | Y | 86.3 | Confident | 90.4 | Very high | 125 Ų | 125 | 103.8 Ų | 103.8 | 49% | 0.49 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 38 | 178 | -62.2 | -80.9 | 0 | 0 | 0 | 112.5 | L328 M329 E330 N334 V335 F336 | L328-Y332 HydrophobicContact CD1-CD2 3.73Å; L328-Y332 HydrophobicContact CD1-CE2 3.79Å; L328-Y332 HydrophobicContact CG-CD2 4.47Å; L328-Y332 WeakPolarHBondContact O-CD2 3.38Å; L328-Y332 PolarHBondContact O-N 3.3Å; M329-Y332 CarbonylContact O-C 3.34Å; E330-Y332 PolarHBondContact O-N 3.07Å; Y332-N334 VanDerWaalsContact C-N 3.26Å; Y332-N334 PolarHBondContact O-N 3.37Å; Y332-N334 VanDerWaalsContact O-N 3.11Å; Y332-V335 WeakPolarHBondContact O-CA 3.4Å; Y332-V335 WeakPolarHBondContact O-CB 3.33Å; Y332-V335 PolarHBondContact O-N 2.94Å; Y332-F336 WeakPolarHBondContact O-CD2 3.32Å; Y332-F336 PolarHBondContact O-N 2.86Å |
| 333 | N | 89.3 | Confident | 90.3 | Very high | 93 Ų | 93 | 104.4 Ų | 104.4 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -46.6 | -46.9 | -176.9 | -169.7 | -54.3 | 0 | 0 | 0 | 112.8 | M329 E330 V335 F336 C337 | M329-N333 WeakPolarHBondContact O-CA 3.46Å; M329-N333 PolarHBondContact O-N 3.27Å; E330-N333 WeakPolarHBondContact O-CB 3.42Å; E330-N333 PolarHBondContact O-N 3.36Å; E330-N333 VanDerWaalsContact O-N 3.17Å; N333-V335 PolarHBondContact O-N 2.76Å; N333-F336 PolarHBondContact O-N 3.23Å; N333-C337 WeakPolarHBondContact O-CB 3.34Å; N333-C337 PolarHBondContact O-N 3.34Å |
| 334 | N | 90.4 | Very high | 90.3 | Very high | 152 Ų | 152 | 109.9 Ų | 109.9 | 81% | 0.813 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.4 | -13 | 178.2 | -59.9 | -1.1 | 0 | 0 | 0 | 115.5 | Y332 | Y332-N334 VanDerWaalsContact C-N 3.26Å; Y332-N334 PolarHBondContact O-N 3.37Å; Y332-N334 VanDerWaalsContact O-N 3.11Å |
| 335 | V | 93.3 | Very high | 90.2 | Very high | 106 Ų | 106 | 116.1 Ų | 116.1 | 64% | 0.642 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -98 | -30.9 | 177 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | Y332 N333 | Y332-V335 WeakPolarHBondContact O-CA 3.4Å; Y332-V335 WeakPolarHBondContact O-CB 3.33Å; Y332-V335 PolarHBondContact O-N 2.94Å; N333-V335 PolarHBondContact O-N 2.76Å |
| 336 | F | 92.7 | Very high | 90.1 | Very high | 100 Ų | 100 | 114.3 Ų | 114.3 | 44% | 0.439 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -107.8 | -8.5 | -173.5 | -63.4 | -67.4 | 0 | 0 | 0 | 114.2 | M329 Y332 N333 | M329-F336 HydrophobicContact CB-CD2 4.32Å; M329-F336 HydrophobicContact CE-CB 4.3Å; M329-F336 HydrophobicContact CG-CD2 4.17Å; M329-F336 HydrophobicContact CG-CG 4.22Å; Y332-F336 WeakPolarHBondContact O-CD2 3.32Å; Y332-F336 PolarHBondContact O-N 2.86Å; N333-F336 PolarHBondContact O-N 3.23Å |
| 337 | C | 92.2 | Very high | 90.1 | Very high | 62 Ų | 62 | 115.7 Ų | 115.7 | 42% | 0.419 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -62.2 | 134.1 | 176.4 | 60.6 | 0 | 0 | 0 | 0 | 111 | N333 | N333-C337 WeakPolarHBondContact O-CB 3.34Å; N333-C337 PolarHBondContact O-N 3.34Å |
| 338 | P | 92 | Very high | 90.1 | Very high | 117 Ų | 117 | 121 Ų | 121 | 76% | 0.76 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 141.4 | 178.5 | 27.5 | -34.3 | 0 | 0 | 0 | 110.7 | ||
| 339 | P | 91.5 | Very high | 89.8 | Confident | 112 Ų | 112 | 119.4 Ų | 119.4 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 162.2 | 174.6 | 29.7 | -35.6 | 0 | 0 | 0 | 111.3 | ||
| 340 | A | 91.3 | Very high | 89.7 | Confident | 88 Ų | 88 | 118.4 Ų | 118.4 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 147 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 341 | R | 92.8 | Very high | 89.2 | Confident | 230 Ų | 230 | 119.8 Ų | 119.8 | 87% | 0.868 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 151.1 | 175.8 | -68.7 | -175.9 | 175.9 | -173.4 | -1.3 | 110.3 | ||
| 342 | F | 92.8 | Very high | 88.6 | Confident | 202 Ų | 202 | 121.1 Ų | 121.1 | 89% | 0.886 | 64% | 0.644 | S | S | * | * | trans | -86.8 | 112.5 | 174 | -61.3 | -72.8 | 0 | 0 | 0 | 109.9 | ||||
| 343 | D | 89.8 | Confident | 88.1 | Confident | 123 Ų | 123 | 117.8 Ų | 117.8 | 66% | 0.658 | 65% | 0.647 | S | S | * | * | trans | -87.7 | 151.8 | 175.4 | -61.2 | -49.5 | 0 | 0 | 0 | 111.9 | Q345 | D343-Q345 PolarHBondContact O-N 2.85Å; D343-Q345 PolarHBondContact O-NE2 3.2Å | ||
| 344 | F | 90.4 | Very high | 87.7 | Confident | 128 Ų | 128 | 118.5 Ų | 118.5 | 56% | 0.561 | 66% | 0.655 | S | S | * | * | trans | -61.4 | 120.7 | 174.7 | 173.2 | -102.6 | 0 | 0 | 0 | 110.8 | ||||
| 345 | Q | 90 | Very high | 87.5 | Confident | 155 Ų | 155 | 114.2 Ų | 114.2 | 72% | 0.724 | 63% | 0.631 | S | S | * | * | trans | -91 | 105.5 | 177.8 | -56.6 | -57.4 | -63.2 | 0 | 0 | 109.1 | D343 H347 | D343-Q345 PolarHBondContact O-N 2.85Å; D343-Q345 PolarHBondContact O-NE2 3.2Å; Q345-H347 PolarHBondContact O-N 2.88Å | ||
| 346 | S | 88.6 | Confident | 87 | Confident | 71 Ų | 71 | 111.8 Ų | 111.8 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | trans | -67.2 | 129.1 | 178.3 | 50.1 | 0 | 0 | 0 | 0 | 111.5 | D350 | S346-D350 WeakPolarHBondContact CB-O 3.43Š| ||
| 347 | H | 90.8 | Very high | 86.6 | Confident | 143 Ų | 143 | 107.6 Ų | 107.6 | 66% | 0.662 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -92.7 | 131.3 | -179.8 | -179.8 | -106.2 | 0 | 0 | 0 | 110.2 | Q345 G349 D350 | Q345-H347 PolarHBondContact O-N 2.88Å; H347-G349 PolarHBondContact O-N 3.22Å; H347-G349 VanDerWaalsContact O-N 3.1Å; H347-D350 WeakPolarHBondContact O-CB 3.28Å; H347-D350 PolarHBondContact O-N 3.03Å |
| 348 | M | 85.3 | Confident | 86.1 | Confident | 175 Ų | 175 | 111.7 Ų | 111.7 | 86% | 0.862 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.8 | 29.9 | 177.5 | -64.5 | -66.6 | -169.6 | 0 | 0 | 115.5 | ||
| 349 | G | 81.7 | Confident | 85.7 | Confident | 59 Ų | 59 | 113.3 Ų | 113.3 | 61% | 0.608 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.1 | 19 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | H347 T351 | H347-G349 PolarHBondContact O-N 3.22Å; H347-G349 VanDerWaalsContact O-N 3.1Å; G349-T351 PolarHBondContact O-N 3.38Å |
| 350 | D | 89.8 | Confident | 85.2 | Confident | 69 Ų | 69 | 112.9 Ų | 112.9 | 37% | 0.369 | 61% | 0.609 | S | S | . | * | trans | -49.1 | 123.1 | 169.7 | -177.1 | 7.8 | 0 | 0 | 0 | 111.7 | S346 H347 M352 | S346-D350 WeakPolarHBondContact CB-O 3.43Å; H347-D350 WeakPolarHBondContact O-CB 3.28Å; H347-D350 PolarHBondContact O-N 3.03Å; D350-M352 WeakPolarHBondContact OD1-CB 3.32Å; D350-M352 PolarHBondContact OD1-N 3.39Å | ||
| 351 | T | 77.2 | Confident | 85 | Confident | 130 Ų | 130 | 113.1 Ų | 113.1 | 80% | 0.798 | 60% | 0.598 | S | S | * | * | trans | -88.8 | -10 | -179.3 | 52.8 | 0 | 0 | 0 | 0 | 113 | G349 G353 | G349-T351 PolarHBondContact O-N 3.38Å; T351-G353 PolarHBondContact O-N 2.99Å | ||
| 352 | M | 73.5 | Confident | 84.7 | Confident | 104 Ų | 104 | 103.9 Ų | 103.9 | 51% | 0.512 | 56% | 0.564 | S | S | . | * | trans | -93.9 | 67.3 | -170 | -63 | -61.9 | -68 | 0 | 0 | 112.5 | D350 V354 | D350-M352 WeakPolarHBondContact OD1-CB 3.32Å; D350-M352 PolarHBondContact OD1-N 3.39Å; M352-V354 HydrophobicContact CE-CG2 4.38Å; M352-V354 PolarHBondContact O-N 3.28Å | ||
| 353 | G | 75.8 | Confident | 84.5 | Confident | 55 Ų | 55 | 98.6 Ų | 98.6 | 57% | 0.567 | 55% | 0.548 | S | S | * | . | trans | -69.6 | 18.9 | 173 | 0 | 0 | 0 | 0 | 0 | 115.6 | T351 | T351-G353 PolarHBondContact O-N 2.99Š| ||
| 354 | V | 80.9 | Confident | 84.6 | Confident | 108 Ų | 108 | 97.5 Ų | 97.5 | 66% | 0.655 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -138.3 | 152 | -174.5 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | M352 C356 | M352-V354 HydrophobicContact CE-CG2 4.38Å; M352-V354 PolarHBondContact O-N 3.28Å; V354-C356 PolarHBondContact O-N 2.74Å |
| 355 | M | 84.3 | Confident | 84.6 | Confident | 61 Ų | 61 | 92.9 Ų | 92.9 | 30% | 0.3 | 52% | 0.524 | S | S | . | . | trans | -69.4 | 130.7 | 179.9 | -139.2 | -173.1 | 72.2 | 0 | 0 | 110.8 | L365 L472 I473 T476 | M355-L365 HydrophobicContact CE-CD1 3.73Å; M355-L365 HydrophobicContact CE-CD2 3.68Å; M355-L365 HydrophobicContact CE-CG 4.32Å; M355-L472 HydrophobicContact SD-CG 4.32Å; M355-I473 HydrophobicContact CE-CB 4.25Å; M355-I473 HydrophobicContact CE-CG1 3.92Å; M355-I473 HydrophobicContact CE-CG2 4.36Å; M355-I473 HydrophobicContact SD-CG1 3.92Å; M355-T476 HydrophobicContact CB-CG2 4.27Å; M355-T476 HydrophobicContact CE-CG2 4.18Å; M355-T476 VanDerWaalsContact O-CG2 3.31Å; M355-T476 WeakPolarHBondContact O-CG2 3.37Å | ||
| 356 | C | 84.3 | Confident | 84.6 | Confident | 56 Ų | 56 | 88.2 Ų | 88.2 | 38% | 0.378 | 50% | 0.502 | S | S | . | . | trans | -89.2 | 132 | 176.8 | -174.2 | 0 | 0 | 0 | 0 | 111 | V354 L365 | V354-C356 PolarHBondContact O-N 2.74Å; C356-L365 WeakPolarHBondContact O-CD1 3.41Å | ||
| 357 | A | 83.5 | Confident | 84.8 | Confident | 11 Ų | 11 | 91.4 Ų | 91.4 | 9% | 0.091 | 51% | 0.509 | C | S | . | . | trans | -127.6 | 33 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | E362 L365 T476 L477 | A357-E362 VanDerWaalsContact O-CB 3.32Å; A357-E362 WeakPolarHBondContact O-CB 3.28Å; A357-E362 WeakPolarHBondContact O-CG 3.37Å; A357-L365 HydrophobicContact CB-CD1 3.84Å; A357-T476 HydrophobicContact CB-CG2 3.62Å; A357-L477 HydrophobicContact CB-CD2 4.03Å | ||
| 358 | Q | 83 | Confident | 85 | Confident | 149 Ų | 149 | 91.4 Ų | 91.4 | 70% | 0.696 | 50% | 0.503 | S | S | * | . | trans | -76.4 | 156.9 | 171.3 | -66 | 177.6 | -8 | 0 | 0 | 110.8 | L361 E362 | Q358-L361 WeakPolarHBondContact O-CB 2.96Å; Q358-L361 PolarHBondContact O-N 3.03Å; Q358-E362 PolarHBondContact O-N 3.04Å | ||
| 359 | Q | 82.9 | Confident | 85.4 | Confident | 151 Ų | 151 | 83.2 Ų | 83.2 | 71% | 0.706 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 143.9 | 174 | -67.1 | -156.5 | 6.7 | 0 | 0 | 111.8 | E362 | Q359-E362 HydrophobicContact CG-CB 4.27Š|
| 360 | P | 80.6 | Confident | 86 | Confident | 103 Ų | 103 | 87 Ų | 87 | 67% | 0.669 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -82.5 | -13.4 | 6.1 | 33.2 | -36.6 | 0 | 0 | 0 | 115.3 | E362 V363 | P360-E362 PolarHBondContact O-N 3.27Å; P360-E362 VanDerWaalsContact O-N 3.1Å; P360-V363 PolarHBondContact O-N 3.29Å |
| 361 | L | 87.1 | Confident | 86.2 | Confident | 92 Ų | 92 | 86.4 Ų | 86.4 | 48% | 0.482 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.2 | -25.9 | -171 | -63.9 | 168.4 | 0 | 0 | 0 | 114 | Q358 V363 D364 L365 | Q358-L361 WeakPolarHBondContact O-CB 2.96Å; Q358-L361 PolarHBondContact O-N 3.03Å; L361-V363 PolarHBondContact O-N 3.37Å; L361-D364 PolarHBondContact O-N 2.75Å; L361-L365 WeakPolarHBondContact O-CB 3.21Å; L361-L365 WeakPolarHBondContact O-CG 3.43Å; L361-L365 PolarHBondContact O-N 3.31Å |
| 362 | E | 87.3 | Confident | 87.2 | Confident | 36 Ų | 36 | 80.6 Ų | 80.6 | 17% | 0.168 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -53.6 | -35.9 | 177.2 | -163.9 | 170.8 | -144.6 | 0 | 0 | 113.6 | A357 Q358 Q359 P360 H366 L477 S480 | A357-E362 VanDerWaalsContact O-CB 3.32Å; A357-E362 WeakPolarHBondContact O-CB 3.28Å; A357-E362 WeakPolarHBondContact O-CG 3.37Å; Q358-E362 PolarHBondContact O-N 3.04Å; Q359-E362 HydrophobicContact CG-CB 4.27Å; P360-E362 PolarHBondContact O-N 3.27Å; P360-E362 VanDerWaalsContact O-N 3.1Å; E362-H366 PolarHBondContact O-N 3.22Å; E362-H366 PolarHBondContact O-ND1 3.45Å; E362-L477 HydrophobicContact CG-CD2 4.15Å; E362-S480 WeakPolarHBondContact OE1-CB 3.43Å; E362-S480 PolarHBondContact OE1-OG 2.93Å |
| 363 | V | 87.6 | Confident | 88.2 | Confident | 91 Ų | 91 | 80.5 Ų | 80.5 | 55% | 0.552 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -72.4 | -46.6 | -178.6 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | P360 L361 L365 H366 Q367 | P360-V363 PolarHBondContact O-N 3.29Å; L361-V363 PolarHBondContact O-N 3.37Å; V363-L365 VanDerWaalsContact C-N 3.26Å; V363-L365 PolarHBondContact O-N 3.19Å; V363-H366 PolarHBondContact O-N 3.18Å; V363-Q367 PolarHBondContact O-N 3.43Å |
| 364 | D | 91.3 | Very high | 89.2 | Confident | 101 Ų | 101 | 81.3 Ų | 81.3 | 54% | 0.54 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 176 | -65.5 | -20.2 | 0 | 0 | 0 | 111 | L361 R368 | L361-D364 PolarHBondContact O-N 2.75Å; D364-R368 WeakPolarHBondContact O-CB 3.48Å; D364-R368 PolarHBondContact O-N 2.99Å |
| 365 | L | 91.3 | Very high | 90 | Very high | 31 Ų | 31 | 82.7 Ų | 82.7 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 175.8 | -71.8 | 173.4 | 0 | 0 | 0 | 112.5 | M355 C356 A357 L361 V363 R368 C369 I473 L477 | M355-L365 HydrophobicContact CE-CD1 3.73Å; M355-L365 HydrophobicContact CE-CD2 3.68Å; M355-L365 HydrophobicContact CE-CG 4.32Å; C356-L365 WeakPolarHBondContact O-CD1 3.41Å; A357-L365 HydrophobicContact CB-CD1 3.84Å; L361-L365 WeakPolarHBondContact O-CB 3.21Å; L361-L365 WeakPolarHBondContact O-CG 3.43Å; L361-L365 PolarHBondContact O-N 3.31Å; V363-L365 VanDerWaalsContact C-N 3.26Å; V363-L365 PolarHBondContact O-N 3.19Å; L365-R368 PolarHBondContact O-N 3.01Å; L365-C369 WeakPolarHBondContact O-CB 3.42Å; L365-C369 PolarHBondContact O-N 2.67Å; L365-I473 HydrophobicContact CB-CG2 4.26Å; L365-I473 HydrophobicContact CD2-CG1 4.4Å; L365-I473 HydrophobicContact CD2-CG2 4.32Å; L365-L477 HydrophobicContact CB-CD1 4.39Å; L365-L477 HydrophobicContact CB-CD2 3.99Å |
| 366 | H | 90.5 | Very high | 90.6 | Very high | 57 Ų | 57 | 79.9 Ų | 79.9 | 26% | 0.264 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 173.8 | -83.2 | 90.2 | 0 | 0 | 0 | 111.5 | E362 V363 R368 C369 Q370 L477 Q481 | E362-H366 PolarHBondContact O-N 3.22Å; E362-H366 PolarHBondContact O-ND1 3.45Å; V363-H366 PolarHBondContact O-N 3.18Å; H366-R368 VanDerWaalsContact C-N 3.3Å; H366-R368 PolarHBondContact O-N 3.1Å; H366-C369 PolarHBondContact O-N 3.28Å; H366-Q370 WeakPolarHBondContact O-CG 3.34Å; H366-Q370 PolarHBondContact O-N 3.4Å; H366-L477 HydrophobicContact CB-CD1 4.38Å; H366-Q481 PolarHBondContact NE2-NE2 3.08Å |
| 367 | Q | 93.1 | Very high | 91.2 | Very high | 137 Ų | 137 | 80.4 Ų | 80.4 | 64% | 0.64 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.5 | -40.1 | 177 | -167.4 | -174.4 | 45.1 | 0 | 0 | 111.3 | V363 S371 | V363-Q367 PolarHBondContact O-N 3.43Å; Q367-S371 WeakPolarHBondContact O-CB 3.43Å; Q367-S371 PolarHBondContact O-N 3.27Å |
| 368 | R | 94.3 | Very high | 91.9 | Very high | 143 Ų | 143 | 83.4 Ų | 83.4 | 54% | 0.54 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 177 | -172.1 | 54.6 | 168.1 | -168.5 | -3.5 | 112.5 | D364 L365 H366 S371 L372 I473 | D364-R368 WeakPolarHBondContact O-CB 3.48Å; D364-R368 PolarHBondContact O-N 2.99Å; L365-R368 PolarHBondContact O-N 3.01Å; H366-R368 VanDerWaalsContact C-N 3.3Å; H366-R368 PolarHBondContact O-N 3.1Å; R368-S371 PolarHBondContact O-N 2.92Å; R368-L372 HydrophobicContact CG-CD1 4.22Å; R368-L372 WeakPolarHBondContact O-CB 3.44Å; R368-L372 VanDerWaalsContact O-CG 3.3Å; R368-L372 WeakPolarHBondContact O-CG 3.47Å; R368-L372 PolarHBondContact O-N 2.94Å; R368-I473 HydrophobicContact CG-CD1 4.15Å |
| 369 | C | 93.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 77.5 Ų | 77.5 | 3% | 0.027 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 177 | -146.7 | 0 | 0 | 0 | 0 | 110.7 | L365 H366 S371 L372 Q373 I473 Q474 L477 | L365-C369 WeakPolarHBondContact O-CB 3.42Å; L365-C369 PolarHBondContact O-N 2.67Å; H366-C369 PolarHBondContact O-N 3.28Å; C369-S371 VanDerWaalsContact C-N 3.35Å; C369-S371 PolarHBondContact O-N 3.36Å; C369-L372 PolarHBondContact O-N 3.32Å; C369-Q373 WeakPolarHBondContact O-CB 3.47Å; C369-Q373 PolarHBondContact O-N 2.65Å; C369-I473 HydrophobicContact CB-CG2 3.8Å; C369-Q474 PolarHBondContact SG-OE1 3.04Å; C369-Q474 VanDerWaalsContact SG-OE1 3.37Å; C369-L477 HydrophobicContact CB-CD1 4.13Å |
| 370 | Q | 93.5 | Very high | 93.3 | Very high | 137 Ų | 137 | 74.7 Ų | 74.7 | 64% | 0.64 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.5 | -42.7 | 175.1 | -67.5 | 174.6 | 5.5 | 0 | 0 | 112.4 | H366 L372 Q373 S374 | H366-Q370 WeakPolarHBondContact O-CG 3.34Å; H366-Q370 PolarHBondContact O-N 3.4Å; Q370-L372 PolarHBondContact O-N 3.26Å; Q370-Q373 PolarHBondContact O-N 3.11Å; Q370-S374 PolarHBondContact O-N 3.39Å; Q370-S374 PolarHBondContact O-OG 2.89Å |
| 371 | S | 95.5 | Very high | 94.1 | Very high | 58 Ų | 58 | 74.5 Ų | 74.5 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.6 | -32.1 | 177 | 173.8 | 0 | 0 | 0 | 0 | 113.6 | Q367 R368 C369 S374 R375 | Q367-S371 WeakPolarHBondContact O-CB 3.43Å; Q367-S371 PolarHBondContact O-N 3.27Å; R368-S371 PolarHBondContact O-N 2.92Å; C369-S371 VanDerWaalsContact C-N 3.35Å; C369-S371 PolarHBondContact O-N 3.36Å; S371-S374 PolarHBondContact O-OG 2.96Å; S371-R375 WeakPolarHBondContact O-CB 3.41Å |
| 372 | L | 96.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 74.9 Ų | 74.9 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -73.9 | -43.7 | 172.6 | -73.4 | 170 | 0 | 0 | 0 | 111.1 | R368 C369 Q370 R375 L376 L466 K469 H470 I473 | R368-L372 HydrophobicContact CG-CD1 4.22Å; R368-L372 WeakPolarHBondContact O-CB 3.44Å; R368-L372 VanDerWaalsContact O-CG 3.3Å; R368-L372 WeakPolarHBondContact O-CG 3.47Å; R368-L372 PolarHBondContact O-N 2.94Å; C369-L372 PolarHBondContact O-N 3.32Å; Q370-L372 PolarHBondContact O-N 3.26Å; L372-R375 PolarHBondContact O-N 2.74Å; L372-L376 VanDerWaalsContact O-CB 3.29Å; L372-L376 WeakPolarHBondContact O-CB 3.39Å; L372-L376 VanDerWaalsContact O-CG 3.28Å; L372-L376 WeakPolarHBondContact O-CG 3.43Å; L372-L376 PolarHBondContact O-N 2.71Å; L372-L466 HydrophobicContact CD2-CD2 3.78Å; L372-K469 HydrophobicContact CD1-CB 4.27Å; L372-H470 HydrophobicContact CB-CB 4.16Å; L372-H470 HydrophobicContact CD1-CB 4.42Å; L372-I473 HydrophobicContact CD1-CD1 3.81Å |
| 373 | Q | 95.9 | Very high | 95 | Very high | 101 Ų | 101 | 73.9 Ų | 73.9 | 47% | 0.472 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | -178.2 | 179.3 | 60.2 | 0.2 | 0 | 0 | 112.7 | C369 Q370 L376 S377 | C369-Q373 WeakPolarHBondContact O-CB 3.47Å; C369-Q373 PolarHBondContact O-N 2.65Å; Q370-Q373 PolarHBondContact O-N 3.11Å; Q373-L376 PolarHBondContact O-N 3.48Å; Q373-S377 PolarHBondContact O-N 2.99Å |
| 374 | S | 96.4 | Very high | 95.5 | Very high | 72 Ų | 72 | 73.2 Ų | 73.2 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64 | -46 | 176.6 | 59.3 | 0 | 0 | 0 | 0 | 111.8 | Q370 S371 L376 S377 T378 | Q370-S374 PolarHBondContact O-N 3.39Å; Q370-S374 PolarHBondContact O-OG 2.89Å; S371-S374 PolarHBondContact O-OG 2.96Å; S374-L376 VanDerWaalsContact C-N 3.34Å; S374-L376 PolarHBondContact O-N 3.31Å; S374-S377 WeakPolarHBondContact O-CB 3.37Å; S374-S377 PolarHBondContact O-N 3.35Å; S374-T378 PolarHBondContact O-N 3.13Å; S374-T378 PolarHBondContact O-OG1 3.05Å |
| 375 | R | 97.4 | Very high | 95.8 | Very high | 137 Ų | 137 | 74 Ų | 74 | 52% | 0.517 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 176.1 | -176.6 | 175.9 | 180 | 170.9 | 2.7 | 112.8 | S371 L372 S377 L379 L466 | S371-R375 WeakPolarHBondContact O-CB 3.41Å; L372-R375 PolarHBondContact O-N 2.74Å; R375-S377 VanDerWaalsContact C-N 3.35Å; R375-L379 HydrophobicContact CG-CD1 3.92Å; R375-L379 HydrophobicContact CG-CG 4.4Å; R375-L379 WeakPolarHBondContact O-CG 3.48Å; R375-L379 PolarHBondContact O-N 2.79Å; R375-L466 HydrophobicContact CG-CD1 4.44Å |
| 376 | L | 97.7 | Very high | 96.1 | Very high | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 175.6 | -83.4 | 170.2 | 0 | 0 | 0 | 111.8 | L372 Q373 S374 K380 I463 L466 E467 H470 | L372-L376 VanDerWaalsContact O-CB 3.29Å; L372-L376 WeakPolarHBondContact O-CB 3.39Å; L372-L376 VanDerWaalsContact O-CG 3.28Å; L372-L376 WeakPolarHBondContact O-CG 3.43Å; L372-L376 PolarHBondContact O-N 2.71Å; Q373-L376 PolarHBondContact O-N 3.48Å; S374-L376 VanDerWaalsContact C-N 3.34Å; S374-L376 PolarHBondContact O-N 3.31Å; L376-K380 WeakPolarHBondContact O-CB 3.45Å; L376-K380 WeakPolarHBondContact O-CG 3.36Å; L376-K380 PolarHBondContact O-N 2.61Å; L376-I463 HydrophobicContact CD2-CG2 4.19Å; L376-L466 HydrophobicContact CD1-CB 4.46Å; L376-L466 HydrophobicContact CD2-CB 3.65Å; L376-L466 HydrophobicContact CG-CB 4.06Å; L376-E467 HydrophobicContact CD1-CG 4.16Å; L376-E467 HydrophobicContact CD2-CG 3.65Å; L376-H470 HydrophobicContact CD1-CB 3.73Å |
| 377 | S | 96.9 | Very high | 96.5 | Very high | 66 Ų | 66 | 72.8 Ų | 72.8 | 46% | 0.462 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.9 | -52.1 | 174.9 | -165.5 | 0 | 0 | 0 | 0 | 111.3 | Q373 S374 R375 K380 I381 | Q373-S377 PolarHBondContact O-N 2.99Å; S374-S377 WeakPolarHBondContact O-CB 3.37Å; S374-S377 PolarHBondContact O-N 3.35Å; R375-S377 VanDerWaalsContact C-N 3.35Å; S377-K380 PolarHBondContact O-N 2.76Å; S377-I381 WeakPolarHBondContact O-CG1 3.34Å; S377-I381 PolarHBondContact O-N 2.92Å |
| 378 | T | 97.4 | Very high | 96.7 | Very high | 75 Ų | 75 | 72.6 Ų | 72.6 | 46% | 0.46 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.4 | -52.6 | 178.2 | -50.4 | 0 | 0 | 0 | 0 | 112.2 | S374 K380 I381 E382 | S374-T378 PolarHBondContact O-N 3.13Å; S374-T378 PolarHBondContact O-OG1 3.05Å; T378-K380 VanDerWaalsContact C-N 3.26Å; T378-K380 PolarHBondContact O-N 2.84Å; T378-I381 PolarHBondContact O-N 2.94Å; T378-I381 VanDerWaalsContact O-N 3.13Å; T378-E382 WeakPolarHBondContact CG2-OE1 3.34Å; T378-E382 WeakPolarHBondContact O-CG 3.13Å; T378-E382 PolarHBondContact O-N 3.45Å; T378-E382 VanDerWaalsContact O-N 3.08Å |
| 379 | L | 97.4 | Very high | 96.9 | Very high | 24 Ų | 24 | 68.3 Ų | 68.3 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.4 | -33.2 | -178.5 | -72.4 | 170.5 | 0 | 0 | 0 | 112.8 | R375 N383 L462 I463 L466 | R375-L379 HydrophobicContact CG-CD1 3.92Å; R375-L379 HydrophobicContact CG-CG 4.4Å; R375-L379 WeakPolarHBondContact O-CG 3.48Å; R375-L379 PolarHBondContact O-N 2.79Å; L379-N383 WeakPolarHBondContact O-CB 3.35Å; L379-N383 PolarHBondContact O-N 3.31Å; L379-L462 HydrophobicContact CD1-CD2 3.83Å; L379-L462 HydrophobicContact CD1-CG 4.04Å; L379-L462 HydrophobicContact CD2-CD2 4.02Å; L379-I463 HydrophobicContact CB-CD1 4.3Å; L379-I463 HydrophobicContact CB-CG1 3.86Å; L379-I463 WeakPolarHBondContact O-CD1 3.39Å; L379-L466 HydrophobicContact CD1-CD1 3.6Å |
| 380 | K | 97.6 | Very high | 97.1 | Very high | 92 Ų | 92 | 68.9 Ų | 68.9 | 40% | 0.4 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.4 | -39 | 176.6 | -78.8 | 177.8 | 179.1 | -166.2 | 0 | 112.4 | L376 S377 T378 E384 I463 E467 | L376-K380 WeakPolarHBondContact O-CB 3.45Å; L376-K380 WeakPolarHBondContact O-CG 3.36Å; L376-K380 PolarHBondContact O-N 2.61Å; S377-K380 PolarHBondContact O-N 2.76Å; T378-K380 VanDerWaalsContact C-N 3.26Å; T378-K380 PolarHBondContact O-N 2.84Å; K380-E384 WeakPolarHBondContact O-CB 3.46Å; K380-E384 WeakPolarHBondContact O-CG 3.31Å; K380-E384 PolarHBondContact O-N 2.94Å; K380-E384 VanDerWaalsContact O-N 3.07Å; K380-I463 HydrophobicContact CG-CD1 4.33Å; K380-I463 HydrophobicContact CG-CG2 4.21Å; K380-E467 WeakPolarHBondContact CE-OE1 3.46Å; K380-E467 IonicContact NZ-OE1 2.74Å; K380-E467 PolarHBondContact NZ-OE1 3.13Å |
| 381 | I | 97.3 | Very high | 97.3 | Very high | 99 Ų | 99 | 67 Ų | 67 | 51% | 0.508 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.6 | -54.3 | 176.4 | -63.8 | 163.7 | 0 | 0 | 0 | 109.4 | S377 T378 N383 E384 E385 | S377-I381 WeakPolarHBondContact O-CG1 3.34Å; S377-I381 PolarHBondContact O-N 2.92Å; T378-I381 PolarHBondContact O-N 2.94Å; T378-I381 VanDerWaalsContact O-N 3.13Å; I381-N383 VanDerWaalsContact C-N 3.31Å; I381-N383 PolarHBondContact O-N 2.92Å; I381-E384 PolarHBondContact O-N 3.46Å; I381-E385 PolarHBondContact O-N 3.06Å; I381-E385 VanDerWaalsContact O-N 3.09Å |
| 382 | E | 97 | Very high | 97.4 | Very high | 101 Ų | 101 | 67 Ų | 67 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -52.6 | -47.3 | 177.5 | -67.5 | 170.4 | 173.1 | 0 | 0 | 111.8 | T378 E385 V386 | T378-E382 WeakPolarHBondContact CG2-OE1 3.34Å; T378-E382 WeakPolarHBondContact O-CG 3.13Å; T378-E382 PolarHBondContact O-N 3.45Å; T378-E382 VanDerWaalsContact O-N 3.08Å; E382-E385 PolarHBondContact O-N 3.1Å; E382-V386 WeakPolarHBondContact O-CG2 3.47Å; E382-V386 PolarHBondContact O-N 3.24Å; E382-V386 VanDerWaalsContact O-N 3.12Å |
| 383 | N | 97.6 | Very high | 97.5 | Very high | 14 Ų | 14 | 67.1 Ų | 67.1 | 8% | 0.075 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -73.7 | -27.1 | -176.6 | -168.4 | 76.1 | 0 | 0 | 0 | 113.7 | L379 I381 K387 F456 G459 R460 I463 | L379-N383 WeakPolarHBondContact O-CB 3.35Å; L379-N383 PolarHBondContact O-N 3.31Å; I381-N383 VanDerWaalsContact C-N 3.31Å; I381-N383 PolarHBondContact O-N 2.92Å; N383-K387 VanDerWaalsContact O-CB 3.25Å; N383-K387 WeakPolarHBondContact O-CB 3.35Å; N383-K387 PolarHBondContact O-N 3.17Å; N383-F456 VanDerWaalsContact ND2-CD2 3.33Å; N383-F456 WeakPolarHBondContact ND2-CD2 3.48Å; N383-F456 VanDerWaalsContact ND2-CE2 3.31Å; N383-F456 WeakPolarHBondContact ND2-CE2 3.45Å; N383-F456 PolarHBondContact OD1-O 3.4Å; N383-F456 VanDerWaalsContact OD1-O 3.1Å; N383-G459 WeakPolarHBondContact OD1-CA 3.13Å; N383-R460 PolarHBondContact OD1-N 2.83Å; N383-I463 HydrophobicContact CB-CD1 3.55Å |
| 384 | E | 97.8 | Very high | 97.6 | Very high | 78 Ų | 78 | 65.7 Ų | 65.7 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -74.6 | -29.4 | 171.6 | -79.4 | -72 | 139.6 | 0 | 0 | 112.2 | K380 I381 K387 K388 | K380-E384 WeakPolarHBondContact O-CB 3.46Å; K380-E384 WeakPolarHBondContact O-CG 3.31Å; K380-E384 PolarHBondContact O-N 2.94Å; K380-E384 VanDerWaalsContact O-N 3.07Å; I381-E384 PolarHBondContact O-N 3.46Å; E384-K387 VanDerWaalsContact OE1-CD 3.31Å; E384-K387 WeakPolarHBondContact OE1-CD 3.45Å; E384-K387 IonicContact OE1-NZ 3.32Å; E384-K387 PolarHBondContact OE1-NZ 3.12Å; E384-K387 IonicContact OE2-NZ 3.67Å; E384-K387 PolarHBondContact OE2-NZ 2.93Å; E384-K388 WeakPolarHBondContact O-CB 3.29Å; E384-K388 VanDerWaalsContact O-CG 3.29Å; E384-K388 WeakPolarHBondContact O-CG 3.4Å; E384-K388 PolarHBondContact O-N 2.85Å |
| 385 | E | 97.7 | Very high | 97.6 | Very high | 117 Ų | 117 | 65.3 Ų | 65.3 | 55% | 0.547 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.8 | -45 | 170.7 | -69 | 176.3 | 179 | 0 | 0 | 111.6 | I381 E382 K387 K388 T389 | I381-E385 PolarHBondContact O-N 3.06Å; I381-E385 VanDerWaalsContact O-N 3.09Å; E382-E385 PolarHBondContact O-N 3.1Å; E385-K387 VanDerWaalsContact C-N 3.33Å; E385-K387 PolarHBondContact O-N 3.36Å; E385-K388 PolarHBondContact O-N 3Å; E385-T389 PolarHBondContact O-N 3.29Å; E385-T389 PolarHBondContact O-OG1 2.94Å |
| 386 | V | 98.1 | Very high | 97.6 | Very high | 18 Ų | 18 | 61.9 Ų | 61.9 | 11% | 0.109 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 173.1 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | E382 T389 M390 K452 E455 F456 | E382-V386 WeakPolarHBondContact O-CG2 3.47Å; E382-V386 PolarHBondContact O-N 3.24Å; E382-V386 VanDerWaalsContact O-N 3.12Å; V386-T389 WeakPolarHBondContact O-CB 3.48Å; V386-T389 PolarHBondContact O-N 2.78Å; V386-M390 WeakPolarHBondContact O-CB 3.39Å; V386-M390 PolarHBondContact O-N 2.57Å; V386-K452 HydrophobicContact CG1-CD 4.01Å; V386-E455 HydrophobicContact CG1-CB 3.86Å; V386-E455 HydrophobicContact CG1-CG 3.82Å; V386-E455 HydrophobicContact CG2-CG 4.13Å; V386-E455 VanDerWaalsContact CG2-OE1 3.3Å; V386-E455 WeakPolarHBondContact CG2-OE1 3.4Å; V386-F456 HydrophobicContact CG1-CB 3.97Å |
| 387 | K | 97.8 | Very high | 97.6 | Very high | 45 Ų | 45 | 62.6 Ų | 62.6 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.5 | -50.4 | 175.8 | 178.8 | -174.4 | 142.4 | -146.4 | 0 | 112.2 | N383 E384 E385 T389 M390 E391 F456 | N383-K387 VanDerWaalsContact O-CB 3.25Å; N383-K387 WeakPolarHBondContact O-CB 3.35Å; N383-K387 PolarHBondContact O-N 3.17Å; E384-K387 VanDerWaalsContact OE1-CD 3.31Å; E384-K387 WeakPolarHBondContact OE1-CD 3.45Å; E384-K387 IonicContact OE1-NZ 3.32Å; E384-K387 PolarHBondContact OE1-NZ 3.12Å; E384-K387 IonicContact OE2-NZ 3.67Å; E384-K387 PolarHBondContact OE2-NZ 2.93Å; E385-K387 VanDerWaalsContact C-N 3.33Å; E385-K387 PolarHBondContact O-N 3.36Å; K387-T389 VanDerWaalsContact C-N 3.25Å; K387-T389 PolarHBondContact O-N 3.33Å; K387-M390 HydrophobicContact CG-CE 4.21Å; K387-M390 CarbonylContact O-C 3.6Å; K387-M390 WeakPolarHBondContact O-CA 3.34Å; K387-M390 WeakPolarHBondContact O-CB 3.03Å; K387-M390 PolarHBondContact O-N 2.9Å; K387-M390 VanDerWaalsContact O-N 3.08Å; K387-E391 WeakPolarHBondContact CE-OE1 3.14Å; K387-E391 WeakPolarHBondContact CE-OE2 3.28Å; K387-E391 VanDerWaalsContact CG-CD 3.5Å; K387-E391 HydrophobicContact CG-CG 4.27Å; K387-E391 VanDerWaalsContact CG-OE1 3.31Å; K387-E391 WeakPolarHBondContact CG-OE1 3.44Å; K387-E391 WeakPolarHBondContact O-CB 3.49Å; K387-E391 WeakPolarHBondContact O-CG 3.37Å; K387-E391 PolarHBondContact O-N 3.41Å; K387-F456 HydrophobicContact CB-CD2 3.7Å; K387-F456 HydrophobicContact CB-CE2 3.69Å; K387-F456 HydrophobicContact CD-CE2 3.87Å; K387-F456 HydrophobicContact CD-CZ 4.21Å; K387-F456 HydrophobicContact CG-CD2 4.27Å; K387-F456 HydrophobicContact CG-CE2 3.85Å; K387-F456 HydrophobicContact CG-CZ 4.26Å |
| 388 | K | 98.1 | Very high | 97.5 | Very high | 132 Ų | 132 | 64.2 Ų | 64.2 | 57% | 0.574 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -56.9 | -40.4 | 175.9 | -74.6 | 169.5 | -178.1 | 178.2 | 0 | 111.9 | E384 E385 E391 A392 | E384-K388 WeakPolarHBondContact O-CB 3.29Å; E384-K388 VanDerWaalsContact O-CG 3.29Å; E384-K388 WeakPolarHBondContact O-CG 3.4Å; E384-K388 PolarHBondContact O-N 2.85Å; E385-K388 PolarHBondContact O-N 3Å; K388-E391 PolarHBondContact O-N 3.15Å; K388-A392 WeakPolarHBondContact O-CB 3.46Å; K388-A392 PolarHBondContact O-N 3.26Å |
| 389 | T | 98.1 | Very high | 97.4 | Very high | 53 Ų | 53 | 65.4 Ų | 65.4 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 175.6 | -50.8 | 0 | 0 | 0 | 0 | 111.5 | E385 V386 K387 T393 F448 K452 | E385-T389 PolarHBondContact O-N 3.29Å; E385-T389 PolarHBondContact O-OG1 2.94Å; V386-T389 WeakPolarHBondContact O-CB 3.48Å; V386-T389 PolarHBondContact O-N 2.78Å; K387-T389 VanDerWaalsContact C-N 3.25Å; K387-T389 PolarHBondContact O-N 3.33Å; T389-T393 WeakPolarHBondContact O-CB 3.41Å; T389-T393 PolarHBondContact O-N 3.06Å; T389-T393 PolarHBondContact O-OG1 2.69Å; T389-F448 HydrophobicContact CG2-CE1 3.89Å; T389-F448 HydrophobicContact CG2-CZ 3.92Å; T389-K452 HydrophobicContact CG2-CD 3.97Å; T389-K452 HydrophobicContact CG2-CG 4.08Å |
| 390 | M | 98.3 | Very high | 97.2 | Very high | 17 Ų | 17 | 66.8 Ų | 66.8 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.4 | 174.1 | -164.6 | 74.2 | 0 | 0 | 112.2 | V386 K387 T393 M394 Y449 K452 L453 F456 | V386-M390 WeakPolarHBondContact O-CB 3.39Å; V386-M390 PolarHBondContact O-N 2.57Å; K387-M390 HydrophobicContact CG-CE 4.21Å; K387-M390 CarbonylContact O-C 3.6Å; K387-M390 WeakPolarHBondContact O-CA 3.34Å; K387-M390 WeakPolarHBondContact O-CB 3.03Å; K387-M390 PolarHBondContact O-N 2.9Å; K387-M390 VanDerWaalsContact O-N 3.08Å; M390-T393 PolarHBondContact O-N 3.35Å; M390-M394 WeakPolarHBondContact O-CB 3.39Å; M390-M394 PolarHBondContact O-N 2.9Å; M390-Y449 HydrophobicContact CG-CD2 3.89Å; M390-Y449 HydrophobicContact CG-CE2 3.47Å; M390-Y449 VanDerWaalsContact CG-CE2 3.47Å; M390-Y449 HydrophobicContact SD-CE2 4.4Å; M390-K452 HydrophobicContact CB-CB 4.07Å; M390-L453 HydrophobicContact CG-CB 4.43Å; M390-L453 HydrophobicContact SD-CB 4.04Å; M390-L453 HydrophobicContact SD-CD1 3.6Å; M390-L453 HydrophobicContact SD-CG 4.45Å; M390-F456 HydrophobicContact CE-CD1 3.86Å; M390-F456 HydrophobicContact CE-CE1 4.05Å; M390-F456 HydrophobicContact CE-CG 4.27Å; M390-F456 HydrophobicContact SD-CB 4.15Å; M390-F456 HydrophobicContact SD-CD1 3.82Å; M390-F456 HydrophobicContact SD-CG 4.16Å |
| 391 | E | 97.6 | Very high | 97 | Very high | 96 Ų | 96 | 66.1 Ų | 66.1 | 45% | 0.449 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.3 | -42.8 | -179.8 | -73.6 | 168.8 | 169.2 | 0 | 0 | 111.4 | K387 K388 T393 M394 S395 | K387-E391 WeakPolarHBondContact CE-OE1 3.14Å; K387-E391 WeakPolarHBondContact CE-OE2 3.28Å; K387-E391 VanDerWaalsContact CG-CD 3.5Å; K387-E391 HydrophobicContact CG-CG 4.27Å; K387-E391 VanDerWaalsContact CG-OE1 3.31Å; K387-E391 WeakPolarHBondContact CG-OE1 3.44Å; K387-E391 WeakPolarHBondContact O-CB 3.49Å; K387-E391 WeakPolarHBondContact O-CG 3.37Å; K387-E391 PolarHBondContact O-N 3.41Å; K388-E391 PolarHBondContact O-N 3.15Å; E391-T393 PolarHBondContact O-N 2.83Å; E391-M394 PolarHBondContact O-N 2.84Å; E391-S395 PolarHBondContact O-N 3.23Å |
| 392 | A | 97.9 | Very high | 96.7 | Very high | 58 Ų | 58 | 65.4 Ų | 65.4 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | K388 M394 S395 T396 | K388-A392 WeakPolarHBondContact O-CB 3.46Å; K388-A392 PolarHBondContact O-N 3.26Å; A392-M394 VanDerWaalsContact C-N 3.33Å; A392-M394 PolarHBondContact O-N 3.35Å; A392-S395 WeakPolarHBondContact O-CB 3.4Å; A392-S395 PolarHBondContact O-N 3.21Å; A392-T396 PolarHBondContact O-N 2.85Å; A392-T396 PolarHBondContact O-OG1 3.44Å |
| 393 | T | 97.7 | Very high | 96.4 | Very high | 12 Ų | 12 | 63.1 Ų | 63.1 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.4 | -38 | 176.6 | -49.3 | 0 | 0 | 0 | 0 | 111.6 | T389 M390 E391 T396 I397 T445 F448 | T389-T393 WeakPolarHBondContact O-CB 3.41Å; T389-T393 PolarHBondContact O-N 3.06Å; T389-T393 PolarHBondContact O-OG1 2.69Å; M390-T393 PolarHBondContact O-N 3.35Å; E391-T393 PolarHBondContact O-N 2.83Å; T393-T396 PolarHBondContact O-N 3.18Å; T393-I397 HydrophobicContact CG2-CD1 4.34Å; T393-I397 WeakPolarHBondContact O-CG1 3.4Å; T393-I397 PolarHBondContact O-N 3.41Å; T393-T445 HydrophobicContact CG2-CG2 3.7Å; T393-F448 HydrophobicContact CG2-CD1 3.85Å |
| 394 | M | 97.6 | Very high | 96 | Very high | 71 Ų | 71 | 69.6 Ų | 69.6 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 173.5 | 175.8 | 55.8 | 60 | 0 | 0 | 111.6 | M390 E391 A392 I397 Q398 Y449 | M390-M394 WeakPolarHBondContact O-CB 3.39Å; M390-M394 PolarHBondContact O-N 2.9Å; E391-M394 PolarHBondContact O-N 2.84Å; A392-M394 VanDerWaalsContact C-N 3.33Å; A392-M394 PolarHBondContact O-N 3.35Å; M394-I397 PolarHBondContact O-N 3.34Å; M394-Q398 PolarHBondContact O-N 2.98Å; M394-Y449 HydrophobicContact CB-CD2 4.15Å; M394-Y449 HydrophobicContact CB-CE2 3.96Å; M394-Y449 HydrophobicContact CE-CD1 4.19Å; M394-Y449 HydrophobicContact CE-CD2 3.95Å; M394-Y449 HydrophobicContact CE-CE1 3.68Å; M394-Y449 HydrophobicContact CE-CE2 3.41Å; M394-Y449 VanDerWaalsContact CE-CE2 3.41Å; M394-Y449 HydrophobicContact CE-CG 4.32Å |
| 395 | S | 97.5 | Very high | 95.4 | Very high | 63 Ų | 63 | 69.7 Ų | 69.7 | 44% | 0.441 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.1 | -50 | 172.3 | -160.6 | 0 | 0 | 0 | 0 | 111 | E391 A392 I397 Q398 D399 | E391-S395 PolarHBondContact O-N 3.23Å; A392-S395 WeakPolarHBondContact O-CB 3.4Å; A392-S395 PolarHBondContact O-N 3.21Å; S395-I397 PolarHBondContact O-N 3.38Å; S395-Q398 CarbonylContact O-C 3.59Å; S395-Q398 WeakPolarHBondContact O-CA 3.49Å; S395-Q398 VanDerWaalsContact O-CB 3.28Å; S395-Q398 WeakPolarHBondContact O-CB 3.36Å; S395-Q398 PolarHBondContact O-N 3.47Å; S395-D399 PolarHBondContact O-N 3.04Å; S395-D399 VanDerWaalsContact O-OD2 3.09Å |
| 396 | T | 96.8 | Very high | 94.9 | Very high | 65 Ų | 65 | 72.4 Ų | 72.4 | 40% | 0.399 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.9 | -32.7 | 178.2 | -50 | 0 | 0 | 0 | 0 | 113 | A392 T393 D399 M400 T445 | A392-T396 PolarHBondContact O-N 2.85Å; A392-T396 PolarHBondContact O-OG1 3.44Å; T393-T396 PolarHBondContact O-N 3.18Å; T396-D399 WeakPolarHBondContact CA-OD2 3.48Å; T396-M400 HydrophobicContact CG2-CE 4.35Å; T396-M400 WeakPolarHBondContact O-CE 3.42Å; T396-M400 WeakPolarHBondContact O-CG 3.16Å; T396-M400 PolarHBondContact O-N 3.3Å; T396-T445 HydrophobicContact CG2-CG2 4.45Å |
| 397 | I | 97.2 | Very high | 94.4 | Very high | 19 Ų | 19 | 76.8 Ų | 76.8 | 10% | 0.097 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.7 | -43.2 | 172.2 | -68.1 | 165.1 | 0 | 0 | 0 | 110.6 | T393 M394 S395 M400 V401 T445 E446 Y449 | T393-I397 HydrophobicContact CG2-CD1 4.34Å; T393-I397 WeakPolarHBondContact O-CG1 3.4Å; T393-I397 PolarHBondContact O-N 3.41Å; M394-I397 PolarHBondContact O-N 3.34Å; S395-I397 PolarHBondContact O-N 3.38Å; I397-M400 HydrophobicContact CG1-CE 4.32Å; I397-M400 PolarHBondContact O-N 2.9Å; I397-V401 WeakPolarHBondContact O-CG2 3.45Å; I397-V401 PolarHBondContact O-N 2.83Å; I397-T445 HydrophobicContact CD1-CG2 4.32Å; I397-T445 HydrophobicContact CG1-CG2 3.79Å; I397-E446 HydrophobicContact CD1-CG 4.2Å; I397-E446 HydrophobicContact CG1-CG 4.47Å; I397-Y449 HydrophobicContact CD1-CG 3.99Å |
| 398 | Q | 95.8 | Very high | 93.8 | Very high | 99 Ų | 99 | 78.3 Ų | 78.3 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.7 | -51.8 | 175.5 | -167.6 | 68.3 | 40.3 | 0 | 0 | 110.7 | M394 S395 M400 V401 T402 | M394-Q398 PolarHBondContact O-N 2.98Å; S395-Q398 CarbonylContact O-C 3.59Å; S395-Q398 WeakPolarHBondContact O-CA 3.49Å; S395-Q398 VanDerWaalsContact O-CB 3.28Å; S395-Q398 WeakPolarHBondContact O-CB 3.36Å; S395-Q398 PolarHBondContact O-N 3.47Å; Q398-M400 PolarHBondContact O-N 2.97Å; Q398-V401 WeakPolarHBondContact O-CG2 3.49Å; Q398-V401 PolarHBondContact O-N 3.05Å; Q398-T402 HydrophobicContact CG-CG2 4.36Å; Q398-T402 PolarHBondContact O-N 3.22Å; Q398-T402 PolarHBondContact O-OG1 3.19Å; Q398-T402 VanDerWaalsContact O-OG1 3.12Å |
| 399 | D | 94.7 | Very high | 93.2 | Very high | 100 Ų | 100 | 75 Ų | 75 | 54% | 0.535 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -55.8 | -35.3 | 178.2 | -53 | -33.2 | 0 | 0 | 0 | 112.3 | S395 T396 | S395-D399 PolarHBondContact O-N 3.04Å; S395-D399 VanDerWaalsContact O-OD2 3.09Å; T396-D399 WeakPolarHBondContact CA-OD2 3.48Å |
| 400 | M | 93.4 | Very high | 92.4 | Very high | 53 Ų | 53 | 79.5 Ų | 79.5 | 26% | 0.261 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -77.2 | -20.5 | 177.4 | -76.8 | -170.4 | -63 | 0 | 0 | 114.5 | T396 I397 Q398 Q442 T445 | T396-M400 HydrophobicContact CG2-CE 4.35Å; T396-M400 WeakPolarHBondContact O-CE 3.42Å; T396-M400 WeakPolarHBondContact O-CG 3.16Å; T396-M400 PolarHBondContact O-N 3.3Å; I397-M400 HydrophobicContact CG1-CE 4.32Å; I397-M400 PolarHBondContact O-N 2.9Å; Q398-M400 PolarHBondContact O-N 2.97Å; M400-Q442 HydrophobicContact CE-CB 4.34Å; M400-Q442 HydrophobicContact CE-CG 4.33Å; M400-Q442 HydrophobicContact SD-CB 4.27Å; M400-T445 HydrophobicContact CE-CG2 3.9Å |
| 401 | V | 92.4 | Very high | 91.5 | Very high | 79 Ų | 79 | 81.2 Ų | 81.2 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -107.4 | -12.4 | -178.6 | -56.6 | 0 | 0 | 0 | 0 | 114.3 | I397 Q398 | I397-V401 WeakPolarHBondContact O-CG2 3.45Å; I397-V401 PolarHBondContact O-N 2.83Å; Q398-V401 WeakPolarHBondContact O-CG2 3.49Å; Q398-V401 PolarHBondContact O-N 3.05Å |
| 402 | T | 92.4 | Very high | 90.6 | Very high | 83 Ų | 83 | 83.9 Ų | 83.9 | 51% | 0.509 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -100.2 | 27 | 171 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | Q398 | Q398-T402 HydrophobicContact CG-CG2 4.36Å; Q398-T402 PolarHBondContact O-N 3.22Å; Q398-T402 PolarHBondContact O-OG1 3.19Å; Q398-T402 VanDerWaalsContact O-OG1 3.12Å |
| 403 | V | 90.9 | Very high | 89.6 | Confident | 53 Ų | 53 | 88.4 Ų | 88.4 | 32% | 0.321 | 46% | 0.46 | S | S | . | . | trans | -71 | 130.9 | 170.7 | 61.2 | 0 | 0 | 0 | 0 | 109.8 | D405 | V403-D405 HydrophobicContact CG2-CB 4.42Å; V403-D405 PolarHBondContact O-N 2.99Å | ||
| 404 | E | 88.7 | Confident | 88.2 | Confident | 151 Ų | 151 | 93.3 Ų | 93.3 | 71% | 0.706 | 48% | 0.482 | S | S | * | . | trans | -80.2 | 54.7 | -177.5 | -60.6 | 177.2 | 155.3 | 0 | 0 | 111.6 | Y406 | E404-Y406 VanDerWaalsContact C-N 3.25Å; E404-Y406 HydrophobicContact CB-CD1 4.48Å; E404-Y406 HydrophobicContact CB-CE1 3.83Å; E404-Y406 HydrophobicContact CG-CE1 3.99Å; E404-Y406 PolarHBondContact O-N 3.48Å | ||
| 405 | D | 85.6 | Confident | 86.1 | Confident | 80 Ų | 80 | 95 Ų | 95 | 43% | 0.428 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 28.7 | -179.7 | 75.1 | -1.3 | 0 | 0 | 0 | 114.7 | V403 Y429 R438 | V403-D405 HydrophobicContact CG2-CB 4.42Å; V403-D405 PolarHBondContact O-N 2.99Å; D405-Y429 HydrophobicContact CB-CE1 4.3Å; D405-R438 IonicContact OD2-NH1 3.72Å; D405-R438 PolarHBondContact OD2-NH1 2.74Å; D405-R438 IonicContact OD2-NH2 2.66Å |
| 406 | Y | 85.8 | Confident | 84 | Confident | 173 Ų | 173 | 100.3 Ų | 100.3 | 68% | 0.678 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -13.4 | 179.5 | 56.1 | -103 | 0 | 0 | 0 | 115.6 | E404 V408 | E404-Y406 VanDerWaalsContact C-N 3.25Å; E404-Y406 HydrophobicContact CB-CD1 4.48Å; E404-Y406 HydrophobicContact CB-CE1 3.83Å; E404-Y406 HydrophobicContact CG-CE1 3.99Å; E404-Y406 PolarHBondContact O-N 3.48Å; Y406-V408 PolarHBondContact O-N 3.16Å |
| 407 | D | 87.5 | Confident | 81.7 | Confident | 110 Ų | 110 | 100.5 Ų | 100.5 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | trans | -66.8 | 133.3 | 170.5 | -178.4 | 21.4 | 0 | 0 | 0 | 110.2 | S409 | D407-S409 VanDerWaalsContact OD1-CB 3.29Å; D407-S409 WeakPolarHBondContact OD1-CB 3.29Å; D407-S409 PolarHBondContact OD1-N 3.44Å; D407-S409 PolarHBondContact OD1-OG 2.94Å | ||
| 408 | V | 86.5 | Confident | 79.6 | Confident | 77 Ų | 77 | 108.3 Ų | 108.3 | 47% | 0.467 | 57% | 0.566 | S | S | . | * | trans | -129 | 15 | -178.1 | -67.1 | 0 | 0 | 0 | 0 | 112.1 | Y406 E410 C411 F412 | Y406-V408 PolarHBondContact O-N 3.16Å; V408-E410 PolarHBondContact O-N 2.8Å; V408-C411 WeakPolarHBondContact O-CB 3.42Å; V408-C411 PolarHBondContact O-N 2.66Å; V408-F412 HydrophobicContact CG2-CE2 4.2Å; V408-F412 WeakPolarHBondContact O-CD2 3.38Å | ||
| 409 | S | 85.4 | Confident | 77.2 | Confident | 63 Ų | 63 | 112.7 Ų | 112.7 | 44% | 0.441 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -54.1 | -38.4 | -178.3 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | D407 C411 F412 | D407-S409 VanDerWaalsContact OD1-CB 3.29Å; D407-S409 WeakPolarHBondContact OD1-CB 3.29Å; D407-S409 PolarHBondContact OD1-N 3.44Å; D407-S409 PolarHBondContact OD1-OG 2.94Å; S409-C411 PolarHBondContact O-N 2.74Å; S409-C411 VanDerWaalsContact O-N 3.16Å; S409-F412 PolarHBondContact O-N 3.17Å |
| 410 | E | 81 | Confident | 75.1 | Confident | 148 Ų | 148 | 110.4 Ų | 110.4 | 69% | 0.692 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -57.2 | -28.5 | 173.5 | -65.9 | -165.3 | 150.7 | 0 | 0 | 113.8 | V408 F412 H413 | V408-E410 PolarHBondContact O-N 2.8Å; E410-F412 PolarHBondContact O-N 3Å; E410-H413 PolarHBondContact O-N 3.11Å |
| 411 | C | 78.1 | Confident | 73 | Confident | 52 Ų | 52 | 113 Ų | 113 | 35% | 0.351 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -66.6 | -18.3 | 177.1 | -61.6 | 0 | 0 | 0 | 0 | 112.9 | V408 S409 H414 F425 | V408-C411 WeakPolarHBondContact O-CB 3.42Å; V408-C411 PolarHBondContact O-N 2.66Å; S409-C411 PolarHBondContact O-N 2.74Å; S409-C411 VanDerWaalsContact O-N 3.16Å; C411-H414 PolarHBondContact O-CE1 3.42Å; C411-F425 WeakPolarHBondContact SG-CE2 3.08Å; C411-F425 VanDerWaalsContact SG-CZ 3.53Å |
| 412 | F | 79.4 | Confident | 71 | Confident | 152 Ų | 152 | 119.2 Ų | 119.2 | 67% | 0.667 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -101.6 | -10.4 | -178.7 | -63 | -85.2 | 0 | 0 | 0 | 112.9 | V408 S409 E410 H414 | V408-F412 HydrophobicContact CG2-CE2 4.2Å; V408-F412 WeakPolarHBondContact O-CD2 3.38Å; S409-F412 PolarHBondContact O-N 3.17Å; E410-F412 PolarHBondContact O-N 3Å; F412-H414 PolarHBondContact O-N 3.43Å; F412-H414 PolarHBondContact O-ND1 2.98Å |
| 413 | H | 78.2 | Confident | 68.8 | Low | 153 Ų | 153 | 119.3 Ų | 119.3 | 71% | 0.708 | 62% | 0.622 | S | S | * | * | trans | -72.7 | 72.7 | 173.5 | -71.2 | -31 | 0 | 0 | 0 | 112.8 | E410 S415 | E410-H413 PolarHBondContact O-N 3.11Å; H413-S415 PolarHBondContact O-N 3Å | ||
| 414 | H | 66.5 | Low | 66.7 | Low | 115 Ų | 115 | 122.4 Ų | 122.4 | 53% | 0.532 | 64% | 0.641 | S | S | . | * | trans | -75.9 | 105.4 | 174.1 | -65.8 | 73.8 | 0 | 0 | 0 | 110.3 | C411 F412 | C411-H414 PolarHBondContact O-CE1 3.42Å; F412-H414 PolarHBondContact O-N 3.43Å; F412-H414 PolarHBondContact O-ND1 2.98Å | ||
| 415 | S | 54.7 | Low | 64.8 | Low | 106 Ų | 106 | 120.4 Ų | 120.4 | 74% | 0.741 | 63% | 0.63 | S | S | * | * | trans | -58.6 | 144.2 | 156 | -70.2 | 0 | 0 | 0 | 0 | 109.4 | H413 S417 | H413-S415 PolarHBondContact O-N 3Å; S415-S417 PolarHBondContact O-N 3.36Å | ||
| 416 | N | 52.8 | Low | 63 | Low | 175 Ų | 175 | 120.1 Ų | 120.1 | 94% | 0.936 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -62 | 14.4 | -168 | -69.7 | -14.4 | 0 | 0 | 0 | 117.5 | ||
| 417 | S | 49.2 | Very low | 61.3 | Low | 70 Ų | 70 | 120.5 Ų | 120.5 | 49% | 0.49 | 64% | 0.642 | S | S | . | * | trans | -99.2 | 110.8 | 172.5 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | S415 E419 | S415-S417 PolarHBondContact O-N 3.36Å; S417-E419 PolarHBondContact O-N 3.49Å; S417-E419 VanDerWaalsContact O-N 3.13Å | ||
| 418 | M | 51.9 | Low | 59.7 | Low | 182 Ų | 182 | 120.2 Ų | 120.2 | 90% | 0.897 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -11 | 178.1 | -64.6 | -169.1 | -67.1 | 0 | 0 | 114.5 | ||
| 419 | E | 46.3 | Very low | 58 | Low | 191 Ų | 191 | 122.5 Ų | 122.5 | 89% | 0.893 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -13.9 | -174.8 | -70.7 | -168.2 | 120.9 | 0 | 0 | 114.7 | S417 | S417-E419 PolarHBondContact O-N 3.49Å; S417-E419 VanDerWaalsContact O-N 3.13Å |
| 420 | S | 49.7 | Very low | 56.6 | Low | 53 Ų | 53 | 123.2 Ų | 123.2 | 37% | 0.371 | 65% | 0.649 | S | S | . | * | trans | -108 | 9.3 | -164.5 | -154 | 0 | 0 | 0 | 0 | 117.1 | K422 S423 | S420-K422 PolarHBondContact O-N 2.99Å; S420-S423 PolarHBondContact O-N 2.83Å; S420-S423 VanDerWaalsContact O-N 3.11Å | ||
| 421 | V | 49.6 | Very low | 55.7 | Low | 107 Ų | 107 | 117.9 Ų | 117.9 | 65% | 0.648 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -0.3 | -176.5 | -163.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 422 | K | 50 | Low | 54.9 | Low | 210 Ų | 210 | 124.4 Ų | 124.4 | 91% | 0.913 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -6.4 | 178.3 | -76.7 | -177.7 | 177.1 | 172.1 | 0 | 115.7 | S420 | S420-K422 PolarHBondContact O-N 2.99Š|
| 423 | S | 46.8 | Very low | 54 | Low | 85 Ų | 85 | 122 Ų | 122 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | -12.6 | -157.7 | -156.8 | 0 | 0 | 0 | 0 | 118.1 | S420 | S420-S423 PolarHBondContact O-N 2.83Å; S420-S423 VanDerWaalsContact O-N 3.11Å |
| 424 | T | 46.1 | Very low | 53.9 | Low | 117 Ų | 117 | 116.7 Ų | 116.7 | 72% | 0.718 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -103.4 | -24.6 | -171.8 | 36.5 | 0 | 0 | 0 | 0 | 115.5 | S426 | T424-S426 VanDerWaalsContact C-N 3.25Å; T424-S426 PolarHBondContact O-N 2.75Å; T424-S426 VanDerWaalsContact O-N 3.16Å |
| 425 | F | 50.3 | Low | 54.6 | Low | 109 Ų | 109 | 114.9 Ų | 114.9 | 48% | 0.478 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.6 | 5.4 | -171.6 | -166 | -114 | 0 | 0 | 0 | 115.5 | C411 L430 | C411-F425 WeakPolarHBondContact SG-CE2 3.08Å; C411-F425 VanDerWaalsContact SG-CZ 3.53Å; F425-L430 HydrophobicContact CE1-CD1 3.63Å; F425-L430 HydrophobicContact CZ-CD1 3.59Å |
| 426 | S | 47 | Very low | 56.1 | Low | 74 Ų | 74 | 112.6 Ų | 112.6 | 52% | 0.517 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.3 | -9.3 | -166.7 | 42.5 | 0 | 0 | 0 | 0 | 116.8 | T424 | T424-S426 VanDerWaalsContact C-N 3.25Å; T424-S426 PolarHBondContact O-N 2.75Å; T424-S426 VanDerWaalsContact O-N 3.16Å |
| 427 | E | 50 | Low | 57.8 | Low | 181 Ų | 181 | 112.2 Ų | 112.2 | 85% | 0.846 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -112.3 | 3.1 | -148.9 | -155.1 | 152.5 | -125.4 | 0 | 0 | 117.1 | ||
| 428 | S | 54.2 | Low | 59.6 | Low | 105 Ų | 105 | 112.8 Ų | 112.8 | 73% | 0.734 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -122.8 | -90.9 | 173.9 | -175.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 429 | Y | 50.8 | Low | 61.5 | Low | 125 Ų | 125 | 111.4 Ų | 111.4 | 49% | 0.49 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -86.7 | -32.1 | -162.6 | -148.7 | -114.2 | 0 | 0 | 0 | 115.3 | D405 S434 R438 | D405-Y429 HydrophobicContact CB-CE1 4.3Å; Y429-S434 PolarHBondContact O-OG 3.03Å; Y429-R438 VanDerWaalsContact CE1-CZ 3.49Å; Y429-R438 VanDerWaalsContact CE1-NH2 3.3Å; Y429-R438 PolarHBondContact O-NH2 3Å |
| 430 | L | 55.3 | Low | 63.7 | Low | 77 Ų | 77 | 104.5 Ų | 104.5 | 40% | 0.403 | 55% | 0.553 | S | S | . | * | trans | -102.2 | 14.4 | -168.6 | -65 | 172.2 | 0 | 0 | 0 | 114.5 | F425 K432 | F425-L430 HydrophobicContact CE1-CD1 3.63Å; F425-L430 HydrophobicContact CZ-CD1 3.59Å; L430-K432 PolarHBondContact O-N 2.66Å | ||
| 431 | S | 63 | Low | 65.9 | Low | 37 Ų | 37 | 106.2 Ų | 106.2 | 26% | 0.259 | 56% | 0.558 | S | S | . | * | trans | -60.4 | 135.8 | 177.1 | 90.1 | 0 | 0 | 0 | 0 | 111 | P433 S434 L435 | S431-P433 VanDerWaalsContact C-CD 3.45Å; S431-P433 VanDerWaalsContact C-N 3.31Å; S431-S434 PolarHBondContact O-N 2.82Å; S431-S434 VanDerWaalsContact O-N 3.1Å; S431-S434 PolarHBondContact O-OG 2.88Å; S431-S434 WeakPolarHBondContact OG-CB 3.32Å; S431-S434 PolarHBondContact OG-N 3.17Å; S431-S434 PolarHBondContact OG-OG 3.24Å; S431-L435 PolarHBondContact O-N 3.2Å | ||
| 432 | K | 61.8 | Low | 68.1 | Low | 189 Ų | 189 | 103.6 Ų | 103.6 | 82% | 0.822 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -54.6 | -37.8 | -178 | -66.1 | 178.1 | -178.6 | 173.7 | 0 | 113.7 | L430 A436 | L430-K432 PolarHBondContact O-N 2.66Å; K432-A436 WeakPolarHBondContact O-CB 3.3Å; K432-A436 PolarHBondContact O-N 2.96Å; K432-A436 VanDerWaalsContact O-N 3.12Å |
| 433 | P | 59.9 | Low | 70.3 | Confident | 102 Ų | 102 | 98.6 Ų | 98.6 | 66% | 0.662 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.1 | -40.9 | 174.7 | -21.9 | 35.1 | 0 | 0 | 0 | 114.2 | S431 K437 | S431-P433 VanDerWaalsContact C-CD 3.45Å; S431-P433 VanDerWaalsContact C-N 3.31Å; P433-K437 PolarHBondContact O-N 3.3Å; P433-K437 VanDerWaalsContact O-N 3.12Å |
| 434 | S | 75.6 | Confident | 72.7 | Confident | 40 Ų | 40 | 101.3 Ų | 101.3 | 28% | 0.28 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.8 | -41.2 | 179.5 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | Y429 S431 K437 R438 | Y429-S434 PolarHBondContact O-OG 3.03Å; S431-S434 PolarHBondContact O-N 2.82Å; S431-S434 VanDerWaalsContact O-N 3.1Å; S431-S434 PolarHBondContact O-OG 2.88Å; S431-S434 WeakPolarHBondContact OG-CB 3.32Å; S431-S434 PolarHBondContact OG-N 3.17Å; S431-S434 PolarHBondContact OG-OG 3.24Å; S434-K437 PolarHBondContact O-N 2.97Å; S434-R438 PolarHBondContact O-N 3.26Å |
| 435 | L | 81.3 | Confident | 75.2 | Confident | 78 Ų | 78 | 96.9 Ų | 96.9 | 41% | 0.408 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 176.9 | -166.6 | 153.5 | 0 | 0 | 0 | 111.8 | S431 K437 R438 R439 | S431-L435 PolarHBondContact O-N 3.2Å; L435-K437 VanDerWaalsContact C-N 3.33Å; L435-K437 PolarHBondContact O-N 3.24Å; L435-R438 PolarHBondContact O-N 3.09Å; L435-R439 WeakPolarHBondContact O-CB 3.21Å; L435-R439 PolarHBondContact O-N 2.64Å |
| 436 | A | 86.1 | Confident | 77.4 | Confident | 58 Ų | 58 | 94.6 Ų | 94.6 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K432 A440 | K432-A436 WeakPolarHBondContact O-CB 3.3Å; K432-A436 PolarHBondContact O-N 2.96Å; K432-A436 VanDerWaalsContact O-N 3.12Å; A436-A440 PolarHBondContact O-N 3.31Å; A436-A440 VanDerWaalsContact O-N 3.07Å |
| 437 | K | 89.6 | Confident | 79.9 | Confident | 167 Ų | 167 | 97 Ų | 97 | 73% | 0.726 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68 | -43.9 | 175.7 | -171.2 | -177.9 | 176.8 | -172.1 | 0 | 112.3 | P433 S434 L435 R439 A440 N441 | P433-K437 PolarHBondContact O-N 3.3Å; P433-K437 VanDerWaalsContact O-N 3.12Å; S434-K437 PolarHBondContact O-N 2.97Å; L435-K437 VanDerWaalsContact C-N 3.33Å; L435-K437 PolarHBondContact O-N 3.24Å; K437-R439 VanDerWaalsContact C-N 3.32Å; K437-R439 PolarHBondContact O-N 3.12Å; K437-A440 PolarHBondContact O-N 3.03Å; K437-N441 PolarHBondContact O-N 3.12Å |
| 438 | R | 86.2 | Confident | 82.2 | Confident | 82 Ų | 82 | 93.1 Ų | 93.1 | 31% | 0.309 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -54.9 | -48.7 | 173.6 | -77.5 | -160.6 | -86.7 | 149.9 | -8.1 | 110.6 | D405 Y429 S434 L435 A440 N441 Q442 | D405-R438 IonicContact OD2-NH1 3.72Å; D405-R438 PolarHBondContact OD2-NH1 2.74Å; D405-R438 IonicContact OD2-NH2 2.66Å; Y429-R438 VanDerWaalsContact CE1-CZ 3.49Å; Y429-R438 VanDerWaalsContact CE1-NH2 3.3Å; Y429-R438 PolarHBondContact O-NH2 3Å; S434-R438 PolarHBondContact O-N 3.26Å; L435-R438 PolarHBondContact O-N 3.09Å; R438-A440 PolarHBondContact O-N 3.02Å; R438-N441 PolarHBondContact O-N 3.01Å; R438-Q442 PolarHBondContact O-N 2.74Å |
| 439 | R | 91.1 | Very high | 84.3 | Confident | 152 Ų | 152 | 90 Ų | 90 | 57% | 0.574 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63 | -37.8 | 179.8 | -170.5 | 176.5 | -172 | 132.7 | 8.5 | 113.7 | L435 K437 Q443 | L435-R439 WeakPolarHBondContact O-CB 3.21Å; L435-R439 PolarHBondContact O-N 2.64Å; K437-R439 VanDerWaalsContact C-N 3.32Å; K437-R439 PolarHBondContact O-N 3.12Å; R439-Q443 WeakPolarHBondContact O-CG 3.24Å; R439-Q443 PolarHBondContact O-N 3.02Å; R439-Q443 VanDerWaalsContact O-N 3.09Å |
| 440 | A | 93.8 | Very high | 86.5 | Confident | 47 Ų | 47 | 90 Ų | 90 | 39% | 0.388 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A436 K437 R438 Q442 Q443 E444 | A436-A440 PolarHBondContact O-N 3.31Å; A436-A440 VanDerWaalsContact O-N 3.07Å; K437-A440 PolarHBondContact O-N 3.03Å; R438-A440 PolarHBondContact O-N 3.02Å; A440-Q442 PolarHBondContact O-N 3.29Å; A440-Q443 PolarHBondContact O-N 2.96Å; A440-Q443 VanDerWaalsContact O-N 3.16Å; A440-E444 PolarHBondContact O-N 2.73Å |
| 441 | N | 95 | Very high | 88.6 | Confident | 88 Ų | 88 | 89.5 Ų | 89.5 | 47% | 0.471 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 176.9 | -175.6 | 75.1 | 0 | 0 | 0 | 112.6 | K437 R438 Q443 E444 T445 | K437-N441 PolarHBondContact O-N 3.12Å; R438-N441 PolarHBondContact O-N 3.01Å; N441-Q443 PolarHBondContact O-N 2.63Å; N441-E444 PolarHBondContact O-N 2.8Å; N441-T445 WeakPolarHBondContact O-CB 3.38Å; N441-T445 PolarHBondContact O-N 3.29Å; N441-T445 PolarHBondContact O-OG1 2.92Å |
| 442 | Q | 95.2 | Very high | 90.3 | Very high | 53 Ų | 53 | 89.6 Ų | 89.6 | 25% | 0.248 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -56.9 | -48.8 | 173.2 | -177.8 | -171.9 | -8.3 | 0 | 0 | 111.1 | M400 R438 A440 E444 T445 E446 | M400-Q442 HydrophobicContact CE-CB 4.34Å; M400-Q442 HydrophobicContact CE-CG 4.33Å; M400-Q442 HydrophobicContact SD-CB 4.27Å; R438-Q442 PolarHBondContact O-N 2.74Å; A440-Q442 PolarHBondContact O-N 3.29Å; Q442-E444 PolarHBondContact O-N 3.33Å; Q442-T445 PolarHBondContact O-N 2.71Å; Q442-T445 VanDerWaalsContact O-N 3.15Å; Q442-E446 HydrophobicContact CG-CG 4.43Å; Q442-E446 WeakPolarHBondContact CG-OE1 3.17Å; Q442-E446 PolarHBondContact NE2-OE1 3.44Å; Q442-E446 WeakPolarHBondContact O-CG 3.36Å; Q442-E446 PolarHBondContact O-N 2.78Å |
| 443 | Q | 97 | Very high | 92 | Very high | 104 Ų | 104 | 82.5 Ų | 82.5 | 49% | 0.486 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.1 | -35.2 | -178.6 | -72.7 | -179.6 | -28.2 | 0 | 0 | 113.3 | R439 A440 N441 T445 Q447 | R439-Q443 WeakPolarHBondContact O-CG 3.24Å; R439-Q443 PolarHBondContact O-N 3.02Å; R439-Q443 VanDerWaalsContact O-N 3.09Å; A440-Q443 PolarHBondContact O-N 2.96Å; A440-Q443 VanDerWaalsContact O-N 3.16Å; N441-Q443 PolarHBondContact O-N 2.63Å; Q443-T445 VanDerWaalsContact C-N 3.34Å; Q443-Q447 VanDerWaalsContact O-CB 3.27Å; Q443-Q447 WeakPolarHBondContact O-CB 3.34Å; Q443-Q447 PolarHBondContact O-N 3.28Å |
| 444 | E | 97.6 | Very high | 93.8 | Very high | 142 Ų | 142 | 83.5 Ų | 83.5 | 66% | 0.664 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67 | -36.8 | 172.7 | -71.1 | -175.6 | 138.1 | 0 | 0 | 111.7 | A440 N441 Q442 Q447 F448 | A440-E444 PolarHBondContact O-N 2.73Å; N441-E444 PolarHBondContact O-N 2.8Å; Q442-E444 PolarHBondContact O-N 3.33Å; E444-Q447 PolarHBondContact O-N 2.78Å; E444-F448 PolarHBondContact O-N 2.82Å |
| 445 | T | 97.4 | Very high | 94.9 | Very high | 24 Ų | 24 | 85.3 Ų | 85.3 | 15% | 0.147 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -72 | -42.3 | 178.1 | -52.4 | 0 | 0 | 0 | 0 | 111.5 | T393 T396 I397 M400 N441 Q442 Q443 Q447 F448 Y449 | T393-T445 HydrophobicContact CG2-CG2 3.7Å; T396-T445 HydrophobicContact CG2-CG2 4.45Å; I397-T445 HydrophobicContact CD1-CG2 4.32Å; I397-T445 HydrophobicContact CG1-CG2 3.79Å; M400-T445 HydrophobicContact CE-CG2 3.9Å; N441-T445 WeakPolarHBondContact O-CB 3.38Å; N441-T445 PolarHBondContact O-N 3.29Å; N441-T445 PolarHBondContact O-OG1 2.92Å; Q442-T445 PolarHBondContact O-N 2.71Å; Q442-T445 VanDerWaalsContact O-N 3.15Å; Q443-T445 VanDerWaalsContact C-N 3.34Å; T445-Q447 VanDerWaalsContact C-N 3.35Å; T445-Q447 PolarHBondContact O-N 3.11Å; T445-F448 PolarHBondContact O-N 3.41Å; T445-Y449 PolarHBondContact O-N 3.32Å |
| 446 | E | 97.9 | Very high | 95.7 | Very high | 62 Ų | 62 | 82.5 Ų | 82.5 | 29% | 0.29 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 170.1 | -73.7 | 170.8 | -177.4 | 0 | 0 | 111.3 | I397 Q442 F448 Y449 F450 | I397-E446 HydrophobicContact CD1-CG 4.2Å; I397-E446 HydrophobicContact CG1-CG 4.47Å; Q442-E446 HydrophobicContact CG-CG 4.43Å; Q442-E446 WeakPolarHBondContact CG-OE1 3.17Å; Q442-E446 PolarHBondContact NE2-OE1 3.44Å; Q442-E446 WeakPolarHBondContact O-CG 3.36Å; Q442-E446 PolarHBondContact O-N 2.78Å; E446-F448 VanDerWaalsContact C-N 3.34Å; E446-F448 PolarHBondContact O-N 2.91Å; E446-Y449 WeakPolarHBondContact O-CB 3.48Å; E446-Y449 PolarHBondContact O-N 3.38Å; E446-F450 VanDerWaalsContact O-CD2 3.22Å; E446-F450 WeakPolarHBondContact O-CD2 3.48Å; E446-F450 PolarHBondContact O-N 3.33Å |
| 447 | Q | 98.1 | Very high | 96.3 | Very high | 125 Ų | 125 | 84 Ų | 84 | 58% | 0.584 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.2 | -35.7 | 177.6 | -177.3 | 57.2 | 70.3 | 0 | 0 | 112.3 | Q443 E444 T445 T451 | Q443-Q447 VanDerWaalsContact O-CB 3.27Å; Q443-Q447 WeakPolarHBondContact O-CB 3.34Å; Q443-Q447 PolarHBondContact O-N 3.28Å; E444-Q447 PolarHBondContact O-N 2.78Å; T445-Q447 VanDerWaalsContact C-N 3.35Å; T445-Q447 PolarHBondContact O-N 3.11Å; Q447-T451 WeakPolarHBondContact O-CB 3.38Å; Q447-T451 PolarHBondContact O-N 3.16Å; Q447-T451 VanDerWaalsContact O-N 3.16Å; Q447-T451 PolarHBondContact O-OG1 2.86Å |
| 448 | F | 98.5 | Very high | 96.6 | Very high | 99 Ų | 99 | 81.5 Ų | 81.5 | 43% | 0.434 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68 | -44.5 | 172.3 | -175.4 | -111.2 | 0 | 0 | 0 | 111.7 | T389 T393 E444 T445 E446 F450 T451 K452 | T389-F448 HydrophobicContact CG2-CE1 3.89Å; T389-F448 HydrophobicContact CG2-CZ 3.92Å; T393-F448 HydrophobicContact CG2-CD1 3.85Å; E444-F448 PolarHBondContact O-N 2.82Å; T445-F448 PolarHBondContact O-N 3.41Å; E446-F448 VanDerWaalsContact C-N 3.34Å; E446-F448 PolarHBondContact O-N 2.91Å; F448-F450 PolarHBondContact O-N 3.22Å; F448-T451 WeakPolarHBondContact O-CB 3.26Å; F448-T451 PolarHBondContact O-N 2.99Å; F448-T451 VanDerWaalsContact O-N 3.14Å; F448-K452 HydrophobicContact CE1-CG 4.18Å; F448-K452 HydrophobicContact CE2-CG 4.23Å; F448-K452 HydrophobicContact CZ-CG 3.95Å; F448-K452 PolarHBondContact O-N 2.91Å |
| 449 | Y | 98.6 | Very high | 97.2 | Very high | 38 Ų | 38 | 78.5 Ų | 78.5 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -55.7 | -51.1 | 174.2 | 169.2 | -97.6 | 0 | 0 | 0 | 111.8 | M390 M394 I397 T445 E446 T451 K452 L453 | M390-Y449 HydrophobicContact CG-CD2 3.89Å; M390-Y449 HydrophobicContact CG-CE2 3.47Å; M390-Y449 VanDerWaalsContact CG-CE2 3.47Å; M390-Y449 HydrophobicContact SD-CE2 4.4Å; M394-Y449 HydrophobicContact CB-CD2 4.15Å; M394-Y449 HydrophobicContact CB-CE2 3.96Å; M394-Y449 HydrophobicContact CE-CD1 4.19Å; M394-Y449 HydrophobicContact CE-CD2 3.95Å; M394-Y449 HydrophobicContact CE-CE1 3.68Å; M394-Y449 HydrophobicContact CE-CE2 3.41Å; M394-Y449 VanDerWaalsContact CE-CE2 3.41Å; M394-Y449 HydrophobicContact CE-CG 4.32Å; I397-Y449 HydrophobicContact CD1-CG 3.99Å; T445-Y449 PolarHBondContact O-N 3.32Å; E446-Y449 WeakPolarHBondContact O-CB 3.48Å; E446-Y449 PolarHBondContact O-N 3.38Å; Y449-T451 PolarHBondContact O-N 3.16Å; Y449-K452 PolarHBondContact O-N 3.09Å; Y449-K452 VanDerWaalsContact O-N 3.15Å; Y449-L453 HydrophobicContact CE1-CB 4.3Å; Y449-L453 HydrophobicContact CE1-CD2 3.86Å; Y449-L453 WeakPolarHBondContact O-CB 3.21Å; Y449-L453 PolarHBondContact O-N 3.46Å |
| 450 | F | 98.3 | Very high | 97.5 | Very high | 125 Ų | 125 | 78 Ų | 78 | 55% | 0.548 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.6 | -30.1 | 178.9 | -80.3 | -66.2 | 0 | 0 | 0 | 112.9 | E446 F448 L453 K454 | E446-F450 VanDerWaalsContact O-CD2 3.22Å; E446-F450 WeakPolarHBondContact O-CD2 3.48Å; E446-F450 PolarHBondContact O-N 3.33Å; F448-F450 PolarHBondContact O-N 3.22Å; F450-L453 HydrophobicContact CD1-CD2 4.13Å; F450-L453 HydrophobicContact CE1-CD2 4.33Å; F450-K454 WeakPolarHBondContact O-CB 3.24Å; F450-K454 PolarHBondContact O-N 3.36Å; F450-K454 VanDerWaalsContact O-N 3.12Å |
| 451 | T | 98.4 | Very high | 97.7 | Very high | 68 Ų | 68 | 78.2 Ų | 78.2 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.7 | -48.1 | 173.2 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | Q447 F448 Y449 K454 E455 | Q447-T451 WeakPolarHBondContact O-CB 3.38Å; Q447-T451 PolarHBondContact O-N 3.16Å; Q447-T451 VanDerWaalsContact O-N 3.16Å; Q447-T451 PolarHBondContact O-OG1 2.86Å; F448-T451 WeakPolarHBondContact O-CB 3.26Å; F448-T451 PolarHBondContact O-N 2.99Å; F448-T451 VanDerWaalsContact O-N 3.14Å; Y449-T451 PolarHBondContact O-N 3.16Å; T451-K454 PolarHBondContact O-N 3.02Å; T451-E455 PolarHBondContact O-N 3.23Å; T451-E455 VanDerWaalsContact O-N 3.16Å |
| 452 | K | 98.3 | Very high | 97.8 | Very high | 38 Ų | 38 | 76.8 Ų | 76.8 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -72.1 | -33.8 | 179.2 | -73.6 | -74.2 | 164.5 | -162.4 | 0 | 113.6 | V386 T389 M390 F448 Y449 E455 F456 | V386-K452 HydrophobicContact CG1-CD 4.01Å; T389-K452 HydrophobicContact CG2-CD 3.97Å; T389-K452 HydrophobicContact CG2-CG 4.08Å; M390-K452 HydrophobicContact CB-CB 4.07Å; F448-K452 HydrophobicContact CE1-CG 4.18Å; F448-K452 HydrophobicContact CE2-CG 4.23Å; F448-K452 HydrophobicContact CZ-CG 3.95Å; F448-K452 PolarHBondContact O-N 2.91Å; Y449-K452 PolarHBondContact O-N 3.09Å; Y449-K452 VanDerWaalsContact O-N 3.15Å; K452-E455 WeakPolarHBondContact CD-OE2 3.43Å; K452-E455 VanDerWaalsContact CE-OE2 3.3Å; K452-E455 WeakPolarHBondContact CE-OE2 3.49Å; K452-E455 IonicContact NZ-OE1 2.92Å; K452-E455 PolarHBondContact NZ-OE1 3.37Å; K452-E455 IonicContact NZ-OE2 3.32Å; K452-E455 PolarHBondContact NZ-OE2 3.42Å; K452-E455 PolarHBondContact O-N 3.03Å; K452-F456 WeakPolarHBondContact O-CB 3.47Å; K452-F456 PolarHBondContact O-N 3.19Å |
| 453 | L | 98.3 | Very high | 97.9 | Very high | 40 Ų | 40 | 74.8 Ų | 74.8 | 21% | 0.209 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 171.2 | 175 | 64.4 | 0 | 0 | 0 | 111.4 | M390 Y449 F450 F456 L457 | M390-L453 HydrophobicContact CG-CB 4.43Å; M390-L453 HydrophobicContact SD-CB 4.04Å; M390-L453 HydrophobicContact SD-CD1 3.6Å; M390-L453 HydrophobicContact SD-CG 4.45Å; Y449-L453 HydrophobicContact CE1-CB 4.3Å; Y449-L453 HydrophobicContact CE1-CD2 3.86Å; Y449-L453 WeakPolarHBondContact O-CB 3.21Å; Y449-L453 PolarHBondContact O-N 3.46Å; F450-L453 HydrophobicContact CD1-CD2 4.13Å; F450-L453 HydrophobicContact CE1-CD2 4.33Å; L453-F456 PolarHBondContact O-N 2.85Å; L453-L457 HydrophobicContact CD1-CD1 3.9Å; L453-L457 HydrophobicContact CD1-CG 4.1Å; L453-L457 HydrophobicContact CG-CD1 3.99Å; L453-L457 WeakPolarHBondContact O-CB 3.3Å; L453-L457 VanDerWaalsContact O-CG 3.25Å; L453-L457 WeakPolarHBondContact O-CG 3.46Å; L453-L457 PolarHBondContact O-N 2.71Å |
| 454 | K | 98.3 | Very high | 97.9 | Very high | 123 Ų | 123 | 73.6 Ų | 73.6 | 54% | 0.535 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.8 | -49.6 | 175.9 | -177.7 | -168.2 | 165.2 | -167.9 | 0 | 111 | F450 T451 F456 L457 E458 | F450-K454 WeakPolarHBondContact O-CB 3.24Å; F450-K454 PolarHBondContact O-N 3.36Å; F450-K454 VanDerWaalsContact O-N 3.12Å; T451-K454 PolarHBondContact O-N 3.02Å; K454-F456 PolarHBondContact O-N 2.98Å; K454-L457 PolarHBondContact O-N 2.86Å; K454-E458 VanDerWaalsContact CE-CD 3.43Å; K454-E458 WeakPolarHBondContact CE-OE1 3.35Å; K454-E458 IonicContact NZ-OE1 2.65Å; K454-E458 WeakPolarHBondContact O-CG 3.36Å; K454-E458 PolarHBondContact O-N 2.97Å |
| 455 | E | 98 | Very high | 97.9 | Very high | 78 Ų | 78 | 72.8 Ų | 72.8 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 179 | -168.3 | 179.9 | 155.5 | 0 | 0 | 111.6 | V386 T451 K452 E458 G459 | V386-E455 HydrophobicContact CG1-CB 3.86Å; V386-E455 HydrophobicContact CG1-CG 3.82Å; V386-E455 HydrophobicContact CG2-CG 4.13Å; V386-E455 VanDerWaalsContact CG2-OE1 3.3Å; V386-E455 WeakPolarHBondContact CG2-OE1 3.4Å; T451-E455 PolarHBondContact O-N 3.23Å; T451-E455 VanDerWaalsContact O-N 3.16Å; K452-E455 WeakPolarHBondContact CD-OE2 3.43Å; K452-E455 VanDerWaalsContact CE-OE2 3.3Å; K452-E455 WeakPolarHBondContact CE-OE2 3.49Å; K452-E455 IonicContact NZ-OE1 2.92Å; K452-E455 PolarHBondContact NZ-OE1 3.37Å; K452-E455 IonicContact NZ-OE2 3.32Å; K452-E455 PolarHBondContact NZ-OE2 3.42Å; K452-E455 PolarHBondContact O-N 3.03Å; E455-E458 PolarHBondContact O-N 3.13Å; E455-G459 PolarHBondContact O-N 2.96Å |
| 456 | F | 98.3 | Very high | 97.9 | Very high | 19 Ų | 19 | 72.6 Ų | 72.6 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 174.5 | 170.6 | -110.9 | 0 | 0 | 0 | 113.3 | N383 V386 K387 M390 K452 L453 K454 R460 | N383-F456 VanDerWaalsContact ND2-CD2 3.33Å; N383-F456 WeakPolarHBondContact ND2-CD2 3.48Å; N383-F456 VanDerWaalsContact ND2-CE2 3.31Å; N383-F456 WeakPolarHBondContact ND2-CE2 3.45Å; N383-F456 PolarHBondContact OD1-O 3.4Å; N383-F456 VanDerWaalsContact OD1-O 3.1Å; V386-F456 HydrophobicContact CG1-CB 3.97Å; K387-F456 HydrophobicContact CB-CD2 3.7Å; K387-F456 HydrophobicContact CB-CE2 3.69Å; K387-F456 HydrophobicContact CD-CE2 3.87Å; K387-F456 HydrophobicContact CD-CZ 4.21Å; K387-F456 HydrophobicContact CG-CD2 4.27Å; K387-F456 HydrophobicContact CG-CE2 3.85Å; K387-F456 HydrophobicContact CG-CZ 4.26Å; M390-F456 HydrophobicContact CE-CD1 3.86Å; M390-F456 HydrophobicContact CE-CE1 4.05Å; M390-F456 HydrophobicContact CE-CG 4.27Å; M390-F456 HydrophobicContact SD-CB 4.15Å; M390-F456 HydrophobicContact SD-CD1 3.82Å; M390-F456 HydrophobicContact SD-CG 4.16Å; K452-F456 WeakPolarHBondContact O-CB 3.47Å; K452-F456 PolarHBondContact O-N 3.19Å; L453-F456 PolarHBondContact O-N 2.85Å; K454-F456 PolarHBondContact O-N 2.98Å; F456-R460 WeakPolarHBondContact O-CB 3.33Å; F456-R460 PolarHBondContact O-N 3.06Å |
| 457 | L | 97.9 | Very high | 97.8 | Very high | 91 Ų | 91 | 72 Ų | 72 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.6 | -36.3 | 179.1 | -71.5 | 173.6 | 0 | 0 | 0 | 112.1 | L453 K454 S461 | L453-L457 HydrophobicContact CD1-CD1 3.9Å; L453-L457 HydrophobicContact CD1-CG 4.1Å; L453-L457 HydrophobicContact CG-CD1 3.99Å; L453-L457 WeakPolarHBondContact O-CB 3.3Å; L453-L457 VanDerWaalsContact O-CG 3.25Å; L453-L457 WeakPolarHBondContact O-CG 3.46Å; L453-L457 PolarHBondContact O-N 2.71Å; K454-L457 PolarHBondContact O-N 2.86Å; L457-S461 WeakPolarHBondContact O-CB 3.29Å; L457-S461 PolarHBondContact O-N 3.41Å |
| 458 | E | 97.6 | Very high | 97.7 | Very high | 114 Ų | 114 | 69.2 Ų | 69.2 | 53% | 0.533 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.3 | -45.6 | 174.2 | -72.7 | 178.4 | 167.9 | 0 | 0 | 111.2 | K454 E455 S461 L462 | K454-E458 VanDerWaalsContact CE-CD 3.43Å; K454-E458 WeakPolarHBondContact CE-OE1 3.35Å; K454-E458 IonicContact NZ-OE1 2.65Å; K454-E458 WeakPolarHBondContact O-CG 3.36Å; K454-E458 PolarHBondContact O-N 2.97Å; E455-E458 PolarHBondContact O-N 3.13Å; E458-S461 PolarHBondContact O-N 3.13Å; E458-L462 PolarHBondContact O-N 2.82Å; E458-L462 VanDerWaalsContact O-N 3.09Å |
| 459 | G | 97.4 | Very high | 97.6 | Very high | 19 Ų | 19 | 70.8 Ų | 70.8 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.5 | -52.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | N383 E455 S461 L462 I463 | N383-G459 WeakPolarHBondContact OD1-CA 3.13Å; E455-G459 PolarHBondContact O-N 2.96Å; G459-S461 VanDerWaalsContact C-N 3.28Å; G459-S461 PolarHBondContact O-N 3.19Å; G459-L462 WeakPolarHBondContact O-CB 3.34Å; G459-L462 PolarHBondContact O-N 3.44Å; G459-I463 WeakPolarHBondContact O-CG1 3.41Å; G459-I463 PolarHBondContact O-N 3.42Å |
| 460 | R | 97.5 | Very high | 97.4 | Very high | 141 Ų | 141 | 69.9 Ų | 69.9 | 53% | 0.532 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.4 | -40.6 | 174.9 | -173.1 | 176.3 | -178.4 | 176 | 2.1 | 112.3 | N383 F456 L462 I463 T464 | N383-R460 PolarHBondContact OD1-N 2.83Å; F456-R460 WeakPolarHBondContact O-CB 3.33Å; F456-R460 PolarHBondContact O-N 3.06Å; R460-L462 VanDerWaalsContact C-N 3.32Å; R460-L462 PolarHBondContact O-N 2.68Å; R460-I463 PolarHBondContact O-N 2.85Å; R460-T464 PolarHBondContact O-N 2.97Å; R460-T464 PolarHBondContact O-OG1 3.24Å |
| 461 | S | 97.3 | Very high | 97.2 | Very high | 51 Ų | 51 | 68.3 Ų | 68.3 | 36% | 0.357 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64 | -35 | 176.5 | -166.1 | 0 | 0 | 0 | 0 | 112.8 | L457 E458 G459 K465 | L457-S461 WeakPolarHBondContact O-CB 3.29Å; L457-S461 PolarHBondContact O-N 3.41Å; E458-S461 PolarHBondContact O-N 3.13Å; G459-S461 VanDerWaalsContact C-N 3.28Å; G459-S461 PolarHBondContact O-N 3.19Å; S461-K465 WeakPolarHBondContact O-CD 3.44Å; S461-K465 WeakPolarHBondContact O-CG 3.4Å; S461-K465 PolarHBondContact O-N 2.99Å; S461-K465 PolarHBondContact OG-NZ 3.25Å |
| 462 | L | 97.6 | Very high | 97.1 | Very high | 59 Ų | 59 | 69.6 Ų | 69.6 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -71.6 | -44 | 173.6 | 179.1 | 59.9 | 0 | 0 | 0 | 111.6 | L379 E458 G459 R460 K465 L466 | L379-L462 HydrophobicContact CD1-CD2 3.83Å; L379-L462 HydrophobicContact CD1-CG 4.04Å; L379-L462 HydrophobicContact CD2-CD2 4.02Å; E458-L462 PolarHBondContact O-N 2.82Å; E458-L462 VanDerWaalsContact O-N 3.09Å; G459-L462 WeakPolarHBondContact O-CB 3.34Å; G459-L462 PolarHBondContact O-N 3.44Å; R460-L462 VanDerWaalsContact C-N 3.32Å; R460-L462 PolarHBondContact O-N 2.68Å; L462-K465 PolarHBondContact O-N 3.24Å; L462-L466 HydrophobicContact CD1-CD1 3.95Å; L462-L466 HydrophobicContact CD1-CG 4.17Å; L462-L466 HydrophobicContact CG-CD1 4.02Å; L462-L466 WeakPolarHBondContact O-CG 3.19Å; L462-L466 PolarHBondContact O-N 2.94Å; L462-L466 VanDerWaalsContact O-N 3.15Å |
| 463 | I | 97.8 | Very high | 96.8 | Very high | 11 Ų | 11 | 68.5 Ų | 68.5 | 6% | 0.056 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.5 | -55.9 | 178.4 | -69.1 | 164.3 | 0 | 0 | 0 | 110.2 | L376 L379 K380 N383 G459 R460 K465 L466 E467 | L376-I463 HydrophobicContact CD2-CG2 4.19Å; L379-I463 HydrophobicContact CB-CD1 4.3Å; L379-I463 HydrophobicContact CB-CG1 3.86Å; L379-I463 WeakPolarHBondContact O-CD1 3.39Å; K380-I463 HydrophobicContact CG-CD1 4.33Å; K380-I463 HydrophobicContact CG-CG2 4.21Å; N383-I463 HydrophobicContact CB-CD1 3.55Å; G459-I463 WeakPolarHBondContact O-CG1 3.41Å; G459-I463 PolarHBondContact O-N 3.42Å; R460-I463 PolarHBondContact O-N 2.85Å; I463-K465 PolarHBondContact O-N 3.23Å; I463-K465 VanDerWaalsContact O-N 3.16Å; I463-L466 CarbonylContact O-C 3.54Å; I463-L466 WeakPolarHBondContact O-CA 3.48Å; I463-L466 PolarHBondContact O-N 2.68Å; I463-E467 HydrophobicContact CG2-CG 3.93Å; I463-E467 WeakPolarHBondContact CG2-OE2 3.38Å; I463-E467 WeakPolarHBondContact O-CG 3.35Å; I463-E467 PolarHBondContact O-N 2.8Å |
| 464 | T | 97.1 | Very high | 96.5 | Very high | 79 Ų | 79 | 71.2 Ų | 71.2 | 49% | 0.485 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.3 | -32.5 | -179.3 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | R460 L466 A468 | R460-T464 PolarHBondContact O-N 2.97Å; R460-T464 PolarHBondContact O-OG1 3.24Å; T464-L466 VanDerWaalsContact C-N 3.33Å; T464-A468 WeakPolarHBondContact O-CB 3.47Å; T464-A468 PolarHBondContact O-N 2.93Å |
| 465 | K | 97.1 | Very high | 96.1 | Very high | 125 Ų | 125 | 71.3 Ų | 71.3 | 54% | 0.543 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.5 | -23.7 | 174.9 | -73.2 | 166 | -172.7 | 142 | 0 | 113.9 | S461 L462 I463 K469 | S461-K465 WeakPolarHBondContact O-CD 3.44Å; S461-K465 WeakPolarHBondContact O-CG 3.4Å; S461-K465 PolarHBondContact O-N 2.99Å; S461-K465 PolarHBondContact OG-NZ 3.25Å; L462-K465 PolarHBondContact O-N 3.24Å; I463-K465 PolarHBondContact O-N 3.23Å; I463-K465 VanDerWaalsContact O-N 3.16Å; K465-K469 WeakPolarHBondContact O-CD 3.44Å; K465-K469 WeakPolarHBondContact O-CG 3.47Å |
| 466 | L | 97.6 | Very high | 95.6 | Very high | 20 Ų | 20 | 68.6 Ų | 68.6 | 11% | 0.105 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -93.5 | -39.3 | 178.1 | -66.6 | 176.4 | 0 | 0 | 0 | 111.1 | L372 R375 L376 L379 L462 I463 T464 K469 H470 | L372-L466 HydrophobicContact CD2-CD2 3.78Å; R375-L466 HydrophobicContact CG-CD1 4.44Å; L376-L466 HydrophobicContact CD1-CB 4.46Å; L376-L466 HydrophobicContact CD2-CB 3.65Å; L376-L466 HydrophobicContact CG-CB 4.06Å; L379-L466 HydrophobicContact CD1-CD1 3.6Å; L462-L466 HydrophobicContact CD1-CD1 3.95Å; L462-L466 HydrophobicContact CD1-CG 4.17Å; L462-L466 HydrophobicContact CG-CD1 4.02Å; L462-L466 WeakPolarHBondContact O-CG 3.19Å; L462-L466 PolarHBondContact O-N 2.94Å; L462-L466 VanDerWaalsContact O-N 3.15Å; I463-L466 CarbonylContact O-C 3.54Å; I463-L466 WeakPolarHBondContact O-CA 3.48Å; I463-L466 PolarHBondContact O-N 2.68Å; T464-L466 VanDerWaalsContact C-N 3.33Å; L466-K469 PolarHBondContact O-N 2.98Å; L466-H470 WeakPolarHBondContact O-CB 3.41Å; L466-H470 PolarHBondContact O-N 2.92Å |
| 467 | E | 97 | Very high | 95 | Very high | 50 Ų | 50 | 67.9 Ų | 67.9 | 23% | 0.234 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.7 | -54.8 | 172.7 | -70.3 | 178.6 | 131 | 0 | 0 | 111.1 | L376 K380 I463 K469 H470 D471 | L376-E467 HydrophobicContact CD1-CG 4.16Å; L376-E467 HydrophobicContact CD2-CG 3.65Å; K380-E467 WeakPolarHBondContact CE-OE1 3.46Å; K380-E467 IonicContact NZ-OE1 2.74Å; K380-E467 PolarHBondContact NZ-OE1 3.13Å; I463-E467 HydrophobicContact CG2-CG 3.93Å; I463-E467 WeakPolarHBondContact CG2-OE2 3.38Å; I463-E467 WeakPolarHBondContact O-CG 3.35Å; I463-E467 PolarHBondContact O-N 2.8Å; E467-K469 PolarHBondContact O-N 2.71Å; E467-H470 WeakPolarHBondContact O-CB 3.37Å; E467-H470 PolarHBondContact O-N 3.28Å; E467-D471 WeakPolarHBondContact O-CB 3.32Å; E467-D471 VanDerWaalsContact O-CG 3.25Å; E467-D471 PolarHBondContact O-N 2.96Å |
| 468 | A | 95.6 | Very high | 93.5 | Very high | 66 Ų | 66 | 64.6 Ų | 64.6 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.3 | -20.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | T464 | T464-A468 WeakPolarHBondContact O-CB 3.47Å; T464-A468 PolarHBondContact O-N 2.93Å |
| 469 | K | 95.4 | Very high | 91.7 | Very high | 132 Ų | 132 | 64.1 Ų | 64.1 | 57% | 0.574 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -88.5 | -43.2 | 172.9 | -67.7 | -178.3 | -178.2 | -173.6 | 0 | 112 | L372 K465 L466 E467 I473 | L372-K469 HydrophobicContact CD1-CB 4.27Å; K465-K469 WeakPolarHBondContact O-CD 3.44Å; K465-K469 WeakPolarHBondContact O-CG 3.47Å; L466-K469 PolarHBondContact O-N 2.98Å; E467-K469 PolarHBondContact O-N 2.71Å; K469-I473 WeakPolarHBondContact O-CD1 3.26Å; K469-I473 VanDerWaalsContact O-CG1 3.24Å; K469-I473 WeakPolarHBondContact O-CG1 3.2Å; K469-I473 PolarHBondContact O-N 2.78Å; K469-I473 VanDerWaalsContact O-N 3.16Å |
| 470 | H | 95.8 | Very high | 89.4 | Confident | 18 Ų | 18 | 65 Ų | 65 | 8% | 0.083 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.5 | -52.2 | 173.5 | 169.5 | -92.6 | 0 | 0 | 0 | 110.6 | L372 L376 L466 E467 L472 I473 Q474 | L372-H470 HydrophobicContact CB-CB 4.16Å; L372-H470 HydrophobicContact CD1-CB 4.42Å; L376-H470 HydrophobicContact CD1-CB 3.73Å; L466-H470 WeakPolarHBondContact O-CB 3.41Å; L466-H470 PolarHBondContact O-N 2.92Å; E467-H470 WeakPolarHBondContact O-CB 3.37Å; E467-H470 PolarHBondContact O-N 3.28Å; H470-L472 VanDerWaalsContact C-N 3.32Å; H470-L472 PolarHBondContact O-N 3.24Å; H470-I473 PolarHBondContact O-N 2.83Å; H470-I473 VanDerWaalsContact O-N 3.14Å; H470-Q474 VanDerWaalsContact O-CB 3.25Å; H470-Q474 WeakPolarHBondContact O-CB 3.43Å; H470-Q474 PolarHBondContact O-N 2.9Å |
| 471 | D | 94.2 | Very high | 86.9 | Confident | 92 Ų | 92 | 65 Ų | 65 | 49% | 0.492 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68 | -33 | -172.3 | -60.1 | -14.2 | 0 | 0 | 0 | 112.1 | E467 K475 | E467-D471 WeakPolarHBondContact O-CB 3.32Å; E467-D471 VanDerWaalsContact O-CG 3.25Å; E467-D471 PolarHBondContact O-N 2.96Å; D471-K475 VanDerWaalsContact O-CB 3.23Å; D471-K475 WeakPolarHBondContact O-CB 3.29Å; D471-K475 PolarHBondContact O-N 3.49Å |
| 472 | L | 94.3 | Very high | 84.5 | Confident | 96 Ų | 96 | 68 Ų | 68 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.6 | -47.4 | 172.1 | -177.6 | 61.5 | 0 | 0 | 0 | 111.4 | M355 H470 K475 T476 | M355-L472 HydrophobicContact SD-CG 4.32Å; H470-L472 VanDerWaalsContact C-N 3.32Å; H470-L472 PolarHBondContact O-N 3.24Å; L472-K475 PolarHBondContact O-N 3.35Å; L472-T476 PolarHBondContact O-N 3.04Å; L472-T476 VanDerWaalsContact O-N 3.13Å; L472-T476 PolarHBondContact O-OG1 3.45Å; L472-T476 VanDerWaalsContact O-OG1 3.12Å |
| 473 | I | 93 | Very high | 81.6 | Confident | 15 Ų | 15 | 70.1 Ų | 70.1 | 8% | 0.077 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.8 | -49.4 | 177.3 | -63.9 | 163 | 0 | 0 | 0 | 110.2 | M355 L365 R368 C369 L372 K469 H470 K475 T476 L477 | M355-I473 HydrophobicContact CE-CB 4.25Å; M355-I473 HydrophobicContact CE-CG1 3.92Å; M355-I473 HydrophobicContact CE-CG2 4.36Å; M355-I473 HydrophobicContact SD-CG1 3.92Å; L365-I473 HydrophobicContact CB-CG2 4.26Å; L365-I473 HydrophobicContact CD2-CG1 4.4Å; L365-I473 HydrophobicContact CD2-CG2 4.32Å; R368-I473 HydrophobicContact CG-CD1 4.15Å; C369-I473 HydrophobicContact CB-CG2 3.8Å; L372-I473 HydrophobicContact CD1-CD1 3.81Å; K469-I473 WeakPolarHBondContact O-CD1 3.26Å; K469-I473 VanDerWaalsContact O-CG1 3.24Å; K469-I473 WeakPolarHBondContact O-CG1 3.2Å; K469-I473 PolarHBondContact O-N 2.78Å; K469-I473 VanDerWaalsContact O-N 3.16Å; H470-I473 PolarHBondContact O-N 2.83Å; H470-I473 VanDerWaalsContact O-N 3.14Å; I473-K475 VanDerWaalsContact C-N 3.28Å; I473-K475 PolarHBondContact O-N 3.37Å; I473-T476 PolarHBondContact O-N 2.98Å; I473-T476 VanDerWaalsContact O-N 3.11Å; I473-L477 HydrophobicContact CG2-CD1 3.78Å; I473-L477 HydrophobicContact CG2-CG 4.15Å; I473-L477 WeakPolarHBondContact O-CG 3.38Å; I473-L477 PolarHBondContact O-N 3.22Å |
| 474 | Q | 91.6 | Very high | 78.5 | Confident | 97 Ų | 97 | 77.3 Ų | 77.3 | 45% | 0.453 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.4 | -37.5 | -179.8 | -175.2 | 59.3 | 43.1 | 0 | 0 | 111.8 | C369 H470 G478 | C369-Q474 PolarHBondContact SG-OE1 3.04Å; C369-Q474 VanDerWaalsContact SG-OE1 3.37Å; H470-Q474 VanDerWaalsContact O-CB 3.25Å; H470-Q474 WeakPolarHBondContact O-CB 3.43Å; H470-Q474 PolarHBondContact O-N 2.9Å; Q474-G478 PolarHBondContact O-N 3.37Å |
| 475 | K | 89.4 | Confident | 75.5 | Confident | 125 Ų | 125 | 78.8 Ų | 78.8 | 54% | 0.543 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.7 | -52.1 | 172.1 | -178.4 | -177.3 | 173.1 | -171.6 | 0 | 111.2 | D471 L472 I473 L477 G478 E479 | D471-K475 VanDerWaalsContact O-CB 3.23Å; D471-K475 WeakPolarHBondContact O-CB 3.29Å; D471-K475 PolarHBondContact O-N 3.49Å; L472-K475 PolarHBondContact O-N 3.35Å; I473-K475 VanDerWaalsContact C-N 3.28Å; I473-K475 PolarHBondContact O-N 3.37Å; K475-L477 PolarHBondContact O-N 2.99Å; K475-G478 CarbonylContact O-C 3.56Å; K475-G478 PolarHBondContact O-N 2.96Å; K475-E479 WeakPolarHBondContact CE-OE1 3.37Å; K475-E479 IonicContact NZ-OE1 3.87Å; K475-E479 WeakPolarHBondContact O-CG 3.25Å; K475-E479 PolarHBondContact O-N 3.33Å |
| 476 | T | 87.3 | Confident | 72.3 | Confident | 21 Ų | 21 | 77.8 Ų | 77.8 | 13% | 0.129 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | -178.8 | -53.7 | 0 | 0 | 0 | 0 | 112 | M355 A357 L472 I473 E479 S480 | M355-T476 HydrophobicContact CB-CG2 4.27Å; M355-T476 HydrophobicContact CE-CG2 4.18Å; M355-T476 VanDerWaalsContact O-CG2 3.31Å; M355-T476 WeakPolarHBondContact O-CG2 3.37Å; A357-T476 HydrophobicContact CB-CG2 3.62Å; L472-T476 PolarHBondContact O-N 3.04Å; L472-T476 VanDerWaalsContact O-N 3.13Å; L472-T476 PolarHBondContact O-OG1 3.45Å; L472-T476 VanDerWaalsContact O-OG1 3.12Å; I473-T476 PolarHBondContact O-N 2.98Å; I473-T476 VanDerWaalsContact O-N 3.11Å; T476-E479 PolarHBondContact O-N 2.89Å; T476-S480 PolarHBondContact O-N 2.83Å |
| 477 | L | 85.6 | Confident | 69.4 | Low | 4 Ų | 4 | 85 Ų | 85 | 2% | 0.021 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 177.1 | -63.2 | -179.7 | 0 | 0 | 0 | 112 | A357 E362 L365 H366 C369 I473 K475 E479 S480 Q481 | A357-L477 HydrophobicContact CB-CD2 4.03Å; E362-L477 HydrophobicContact CG-CD2 4.15Å; L365-L477 HydrophobicContact CB-CD1 4.39Å; L365-L477 HydrophobicContact CB-CD2 3.99Å; H366-L477 HydrophobicContact CB-CD1 4.38Å; C369-L477 HydrophobicContact CB-CD1 4.13Å; I473-L477 HydrophobicContact CG2-CD1 3.78Å; I473-L477 HydrophobicContact CG2-CG 4.15Å; I473-L477 WeakPolarHBondContact O-CG 3.38Å; I473-L477 PolarHBondContact O-N 3.22Å; K475-L477 PolarHBondContact O-N 2.99Å; L477-E479 PolarHBondContact O-N 3.4Å; L477-S480 WeakPolarHBondContact O-CB 3.45Å; L477-S480 PolarHBondContact O-N 2.81Å; L477-Q481 PolarHBondContact O-N 3.32Å |
| 478 | G | 68.2 | Low | 66.4 | Low | 22 Ų | 22 | 87.3 Ų | 87.3 | 23% | 0.227 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -69 | -14.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q474 K475 K482 | Q474-G478 PolarHBondContact O-N 3.37Å; K475-G478 CarbonylContact O-C 3.56Å; K475-G478 PolarHBondContact O-N 2.96Å; G478-K482 PolarHBondContact O-NZ 3.31Å |
| 479 | E | 58.3 | Low | 63.4 | Low | 104 Ų | 104 | 89.6 Ų | 89.6 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -89.8 | -41.3 | 169.3 | -74.5 | 170.1 | 174.6 | 0 | 0 | 110.8 | K475 T476 L477 Q481 K482 | K475-E479 WeakPolarHBondContact CE-OE1 3.37Å; K475-E479 IonicContact NZ-OE1 3.87Å; K475-E479 WeakPolarHBondContact O-CG 3.25Å; K475-E479 PolarHBondContact O-N 3.33Å; T476-E479 PolarHBondContact O-N 2.89Å; L477-E479 PolarHBondContact O-N 3.4Å; E479-Q481 PolarHBondContact O-N 3.13Å; E479-K482 PolarHBondContact O-N 3.35Å; E479-K482 VanDerWaalsContact O-N 3.08Å |
| 480 | S | 49.8 | Very low | 60.3 | Low | 36 Ų | 36 | 87.7 Ų | 87.7 | 25% | 0.252 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -51.4 | -50.2 | 174.5 | -164.4 | 0 | 0 | 0 | 0 | 112.6 | E362 T476 L477 K482 T483 | E362-S480 WeakPolarHBondContact OE1-CB 3.43Å; E362-S480 PolarHBondContact OE1-OG 2.93Å; T476-S480 PolarHBondContact O-N 2.83Å; L477-S480 WeakPolarHBondContact O-CB 3.45Å; L477-S480 PolarHBondContact O-N 2.81Å; S480-K482 PolarHBondContact O-N 3.23Å; S480-T483 WeakPolarHBondContact O-CB 3.43Å; S480-T483 PolarHBondContact O-N 2.87Å; S480-T483 VanDerWaalsContact O-N 3.09Å; S480-T483 PolarHBondContact O-OG1 3.35Å |
| 481 | Q | 46 | Very low | 57.4 | Low | 141 Ų | 141 | 97.2 Ų | 97.2 | 66% | 0.659 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -6.4 | -179.5 | -68.7 | -177 | 5.4 | 0 | 0 | 115.2 | H366 L477 E479 | H366-Q481 PolarHBondContact NE2-NE2 3.08Å; L477-Q481 PolarHBondContact O-N 3.32Å; E479-Q481 PolarHBondContact O-N 3.13Å |
| 482 | K | 45.2 | Very low | 54.6 | Low | 114 Ų | 114 | 103.3 Ų | 103.3 | 50% | 0.496 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.3 | -9 | 175.2 | -64.6 | -169.3 | -179.6 | 72.5 | 0 | 113.7 | G478 E479 S480 C486 | G478-K482 PolarHBondContact O-NZ 3.31Å; E479-K482 PolarHBondContact O-N 3.35Å; E479-K482 VanDerWaalsContact O-N 3.08Å; S480-K482 PolarHBondContact O-N 3.23Å; K482-C486 PolarHBondContact O-SG 3.4Å |
| 483 | T | 37.8 | Very low | 51.4 | Low | 104 Ų | 104 | 105.2 Ų | 105.2 | 64% | 0.638 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -26.5 | -167.1 | -35.4 | 0 | 0 | 0 | 0 | 113.4 | S480 | S480-T483 WeakPolarHBondContact O-CB 3.43Å; S480-T483 PolarHBondContact O-N 2.87Å; S480-T483 VanDerWaalsContact O-N 3.09Å; S480-T483 PolarHBondContact O-OG1 3.35Å |
| 484 | D | 33.2 | Very low | 48.9 | Very low | 162 Ų | 162 | 109.1 Ų | 109.1 | 87% | 0.866 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -3.2 | 179 | -75 | -34.2 | 0 | 0 | 0 | 114.8 | ||
| 485 | C | 32.4 | Very low | 46.2 | Very low | 110 Ų | 110 | 110.9 Ų | 110.9 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | trans | -126.8 | 65.2 | -178.9 | -75 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 486 | C | 31.7 | Very low | 43.5 | Very low | 105 Ų | 105 | 111.3 Ų | 111.3 | 71% | 0.709 | 64% | 0.637 | S | S | * | * | trans | -113.4 | 46.2 | -179.2 | -81.3 | 0 | 0 | 0 | 0 | 114.8 | K482 | K482-C486 PolarHBondContact O-SG 3.4Š| ||
| 487 | L | 34.9 | Very low | 40.8 | Very low | 170 Ų | 170 | 121.9 Ų | 121.9 | 89% | 0.89 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -140.4 | 135.4 | 151.8 | -76.5 | -176.9 | 0 | 0 | 0 | 110.2 | ||
| 488 | A | 34 | Very low | 38.5 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 68.9 | 152.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 489 | S | 34 | Very low | 37 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | trans | 61.8 | 77.2 | 174 | -153.2 | 0 | 0 | 0 | 0 | 118.1 | R491 | S489-R491 PolarHBondContact O-N 3.19Š| ||
| 490 | G | 28.9 | Very low | 35.8 | Very low | 93 Ų | 93 | 136 Ų | 136 | 96% | 0.959 | 74% | 0.737 | S | S | * | * | trans | -75.3 | 75.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 491 | R | 36.8 | Very low | 35.3 | Very low | 217 Ų | 217 | 136.6 Ų | 136.6 | 82% | 0.819 | 74% | 0.741 | S | S | * | * | trans | -117.5 | 128.2 | 170.6 | -131.9 | -177.6 | -164.6 | -130.3 | 7.1 | 110.5 | S489 | S489-R491 PolarHBondContact O-N 3.19Š| ||
| 492 | R | 34.1 | Very low | 35.5 | Very low | 221 Ų | 221 | 134.1 Ų | 134.1 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | -127.9 | 127.8 | 169.8 | -61.5 | -172.1 | -157.4 | 157.4 | 6.6 | 110.4 | ||||
| 493 | N | 28 | Very low | 36.1 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | -67.2 | 125.6 | 167.5 | -65.4 | -3.5 | 0 | 0 | 0 | 107.7 | ||||
| 494 | S | 40.5 | Very low | 37.9 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | 70 | 69.7 | 65.1 | 83.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 495 | T | 33.8 | Very low | 40.4 | Very low | 133 Ų | 133 | 122.7 Ų | 122.7 | 82% | 0.816 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -123.2 | 141.6 | 152.1 | 39.1 | 0 | 0 | 0 | 0 | 107.7 | ||
| 496 | V | 33.5 | Very low | 43.2 | Very low | 135 Ų | 135 | 118.8 Ų | 118.8 | 82% | 0.818 | 67% | 0.668 | S | S | * | * | trans | 52.5 | 81.7 | -171.9 | -166.9 | 0 | 0 | 0 | 0 | 113.6 | K498 | V496-K498 PolarHBondContact O-N 3.48Å; V496-K498 VanDerWaalsContact O-N 3.12Å | ||
| 497 | R | 30 | Very low | 45.9 | Very low | 243 Ų | 243 | 117.3 Ų | 117.3 | 92% | 0.917 | 65% | 0.652 | S | S | * | * | trans | -69 | 97.7 | 150.1 | -83.9 | -175.1 | 171 | 177.4 | -4.7 | 107.7 | ||||
| 498 | K | 37.5 | Very low | 48.5 | Very low | 137 Ų | 137 | 110.1 Ų | 110.1 | 60% | 0.596 | 62% | 0.615 | S | S | * | * | trans | -60.9 | 154.5 | 143.9 | -102 | -157.5 | 169.3 | -158.5 | 0 | 107 | V496 D500 E574 | V496-K498 PolarHBondContact O-N 3.48Å; V496-K498 VanDerWaalsContact O-N 3.12Å; K498-D500 VanDerWaalsContact C-N 3.26Å; K498-D500 PolarHBondContact O-N 3.12Å; K498-E574 IonicContact NZ-OE1 2.75Å; K498-E574 PolarHBondContact NZ-OE1 2.82Å; K498-E574 IonicContact NZ-OE2 2.74Å; K498-E574 PolarHBondContact NZ-OE2 3.31Å; K498-E574 VanDerWaalsContact NZ-OE2 3.1Å | ||
| 499 | Q | 36.6 | Very low | 51.3 | Low | 156 Ų | 156 | 105.4 Ų | 105.4 | 73% | 0.729 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -70.1 | 83 | 173.8 | -72 | 175.2 | -15.1 | 0 | 0 | 110.5 | ||
| 500 | D | 34.2 | Very low | 54 | Low | 132 Ų | 132 | 103.8 Ų | 103.8 | 71% | 0.706 | 56% | 0.556 | S | S | * | * | trans | -108.1 | 72.1 | 148.5 | -90.6 | -62.2 | 0 | 0 | 0 | 106.9 | K498 K612 | K498-D500 VanDerWaalsContact C-N 3.26Å; K498-D500 PolarHBondContact O-N 3.12Å; D500-K612 IonicContact OD1-NZ 3.1Å; D500-K612 PolarHBondContact OD1-NZ 2.79Å | ||
| 501 | S | 38.9 | Very low | 57 | Low | 50 Ų | 50 | 99.6 Ų | 99.6 | 35% | 0.35 | 51% | 0.512 | S | S | . | . | trans | -67.1 | 156.3 | 149.8 | 52.3 | 0 | 0 | 0 | 0 | 108.5 | E503 | S501-E503 VanDerWaalsContact CB-CD 3.42Å; S501-E503 WeakPolarHBondContact CB-OE1 3.25Å; S501-E503 WeakPolarHBondContact CB-OE2 3.29Å; S501-E503 PolarHBondContact O-N 3.27Å; S501-E503 VanDerWaalsContact OG-CD 3.31Å; S501-E503 PolarHBondContact OG-OE2 3.49Å | ||
| 502 | G | 48.7 | Very low | 59.8 | Low | 89 Ų | 89 | 89.3 Ų | 89.3 | 92% | 0.918 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -73.7 | 0.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 503 | E | 59.2 | Low | 62.7 | Low | 106 Ų | 106 | 78.8 Ų | 78.8 | 50% | 0.495 | 43% | 0.433 | S | S | . | . | trans | -66.5 | 135.3 | -179.4 | -66.9 | 121.2 | -144.3 | 0 | 0 | 110.8 | S501 I505 | S501-E503 VanDerWaalsContact CB-CD 3.42Å; S501-E503 WeakPolarHBondContact CB-OE1 3.25Å; S501-E503 WeakPolarHBondContact CB-OE2 3.29Å; S501-E503 PolarHBondContact O-N 3.27Å; S501-E503 VanDerWaalsContact OG-CD 3.31Å; S501-E503 PolarHBondContact OG-OE2 3.49Å; E503-I505 VanDerWaalsContact C-N 3.34Å; E503-I505 WeakPolarHBondContact CB-O 3.24Å | ||
| 504 | A | 74.8 | Confident | 65.7 | Low | 30 Ų | 30 | 75 Ų | 75 | 25% | 0.248 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -86.3 | -9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | I615 P689 | A504-I615 HydrophobicContact CB-CD1 4.3Å; A504-I615 HydrophobicContact CB-CG2 4.15Å; A504-P689 HydrophobicContact CB-CG 3.97Å |
| 505 | I | 85.8 | Confident | 68.2 | Low | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -128.1 | 138.3 | 170.6 | -62.7 | 164.3 | 0 | 0 | 0 | 106.9 | E503 V509 E510 I615 Y619 P689 | E503-I505 VanDerWaalsContact C-N 3.34Å; E503-I505 WeakPolarHBondContact CB-O 3.24Å; I505-V509 HydrophobicContact CG2-CB 3.91Å; I505-V509 HydrophobicContact CG2-CG1 3.85Å; I505-E510 HydrophobicContact CG2-CB 3.99Å; I505-I615 HydrophobicContact CG1-CG2 4.34Å; I505-Y619 HydrophobicContact CD1-CD1 3.83Å; I505-Y619 HydrophobicContact CD1-CD2 3.21Å; I505-Y619 HydrophobicContact CD1-CE1 4.11Å; I505-Y619 HydrophobicContact CD1-CE2 3.53Å; I505-Y619 HydrophobicContact CD1-CG 3.36Å; I505-Y619 HydrophobicContact CG1-CG 4.35Å; I505-P689 HydrophobicContact CD1-CB 3.73Å; I505-P689 HydrophobicContact CD1-CG 3.37Å; I505-P689 HydrophobicContact CG1-CG 3.71Å |
| 506 | P | 90.4 | Very high | 71 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | trans | -67.4 | 137.1 | 174.2 | -18.4 | 31.5 | 0 | 0 | 0 | 111.9 | M508 V509 E510 Y569 I616 | P506-M508 VanDerWaalsContact C-N 3.27Å; P506-M508 PolarHBondContact O-N 2.95Å; P506-M508 VanDerWaalsContact O-N 3.12Å; P506-V509 HydrophobicContact CB-CG2 4.26Å; P506-V509 HydrophobicContact CG-CG2 4.25Å; P506-V509 WeakPolarHBondContact O-CA 3.49Å; P506-V509 WeakPolarHBondContact O-CB 3.34Å; P506-V509 PolarHBondContact O-N 3.38Å; P506-E510 PolarHBondContact O-N 2.79Å; P506-Y569 HydrophobicContact CB-CE1 4.39Å; P506-Y569 WeakPolarHBondContact CB-OH 3.31Å; P506-Y569 HydrophobicContact CG-CE1 4.08Å; P506-Y569 WeakPolarHBondContact CG-OH 3.5Å; P506-I616 HydrophobicContact CG-CD1 4.31Å | ||
| 507 | L | 88.3 | Confident | 73.9 | Confident | 74 Ų | 74 | 57.9 Ų | 57.9 | 39% | 0.387 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -49.7 | -40.8 | -178.5 | 179.8 | 61.3 | 0 | 0 | 0 | 114.2 | V509 E510 S511 F543 D548 | L507-V509 VanDerWaalsContact C-N 3.32Å; L507-V509 PolarHBondContact O-N 3.49Å; L507-E510 PolarHBondContact O-N 3.06Å; L507-S511 WeakPolarHBondContact O-CB 3.44Å; L507-S511 PolarHBondContact O-N 3.43Å; L507-F543 HydrophobicContact CG-CE1 4.35Å; L507-D548 HydrophobicContact CD2-CB 4.31Å |
| 508 | M | 90.1 | Very high | 76.7 | Confident | 20 Ų | 20 | 52 Ų | 52 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 176 | -176.8 | -172.4 | -73.3 | 0 | 0 | 112.3 | P506 C512 K540 F543 V565 Y569 | P506-M508 VanDerWaalsContact C-N 3.27Å; P506-M508 PolarHBondContact O-N 2.95Å; P506-M508 VanDerWaalsContact O-N 3.12Å; M508-C512 VanDerWaalsContact O-CB 3.25Å; M508-C512 WeakPolarHBondContact O-CB 3.49Å; M508-C512 PolarHBondContact O-N 3.29Å; M508-C512 VanDerWaalsContact O-N 3.15Å; M508-C512 PolarHBondContact O-SG 3.5Å; M508-K540 HydrophobicContact CE-CB 4.48Å; M508-K540 HydrophobicContact CE-CG 4.22Å; M508-F543 HydrophobicContact CB-CB 4.37Å; M508-F543 HydrophobicContact CB-CD1 4.11Å; M508-F543 HydrophobicContact CB-CD2 4.19Å; M508-F543 HydrophobicContact CB-CE1 4.42Å; M508-F543 HydrophobicContact CB-CE2 4.49Å; M508-F543 HydrophobicContact CB-CG 3.99Å; M508-F543 HydrophobicContact CE-CB 3.38Å; M508-F543 HydrophobicContact CE-CD2 3.84Å; M508-F543 HydrophobicContact CE-CG 3.89Å; M508-F543 HydrophobicContact CG-CD2 3.75Å; M508-F543 HydrophobicContact CG-CE2 4.01Å; M508-F543 HydrophobicContact CG-CG 4.05Å; M508-V565 HydrophobicContact CE-CG1 4.35Å; M508-V565 HydrophobicContact CG-CG1 3.92Å; M508-V565 HydrophobicContact SD-CG1 3.72Å; M508-Y569 HydrophobicContact CE-CD2 4.5Å; M508-Y569 HydrophobicContact CG-CD2 4.45Å; M508-Y569 HydrophobicContact SD-CD2 3.45Å; M508-Y569 WeakPolarHBondContact SD-CD2 3.22Å; M508-Y569 HydrophobicContact SD-CE2 4.42Å; M508-Y569 HydrophobicContact SD-CG 3.88Å |
| 509 | V | 92.7 | Very high | 79.2 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.4 | -46.1 | 177.3 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | I505 P506 L507 I513 L566 Y569 F570 | I505-V509 HydrophobicContact CG2-CB 3.91Å; I505-V509 HydrophobicContact CG2-CG1 3.85Å; P506-V509 HydrophobicContact CB-CG2 4.26Å; P506-V509 HydrophobicContact CG-CG2 4.25Å; P506-V509 WeakPolarHBondContact O-CA 3.49Å; P506-V509 WeakPolarHBondContact O-CB 3.34Å; P506-V509 PolarHBondContact O-N 3.38Å; L507-V509 VanDerWaalsContact C-N 3.32Å; L507-V509 PolarHBondContact O-N 3.49Å; V509-I513 HydrophobicContact CG1-CD1 3.77Å; V509-I513 VanDerWaalsContact O-CB 3.28Å; V509-I513 WeakPolarHBondContact O-CB 3.2Å; V509-I513 VanDerWaalsContact O-CG1 3.3Å; V509-I513 WeakPolarHBondContact O-CG1 3.15Å; V509-I513 PolarHBondContact O-N 3.41Å; V509-L566 HydrophobicContact CB-CD1 4.36Å; V509-L566 HydrophobicContact CG1-CD1 4.24Å; V509-L566 HydrophobicContact CG2-CD1 4.28Å; V509-Y569 HydrophobicContact CG2-CD1 3.34Å; V509-Y569 HydrophobicContact CG2-CE1 3.37Å; V509-Y569 HydrophobicContact CG2-CG 4.19Å; V509-F570 HydrophobicContact CG1-CE2 4.44Å; V509-F570 HydrophobicContact CG1-CZ 3.96Å; V509-F570 HydrophobicContact CG2-CE1 4.5Å; V509-F570 HydrophobicContact CG2-CE2 4.31Å; V509-F570 HydrophobicContact CG2-CZ 3.9Å |
| 510 | E | 91.9 | Very high | 81.8 | Confident | 79 Ų | 79 | 41.7 Ų | 41.7 | 37% | 0.369 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64 | -50.2 | -179 | -174.6 | 166.1 | -171.2 | 0 | 0 | 112 | I505 P506 L507 I513 R514 | I505-E510 HydrophobicContact CG2-CB 3.99Å; P506-E510 PolarHBondContact O-N 2.79Å; L507-E510 PolarHBondContact O-N 3.06Å; E510-I513 PolarHBondContact O-N 3.15Å; E510-R514 VanDerWaalsContact O-CB 3.23Å; E510-R514 WeakPolarHBondContact O-CB 3.29Å; E510-R514 PolarHBondContact O-N 3Å |
| 511 | S | 91.9 | Very high | 84.6 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.4 | -35.9 | -178.7 | -80.5 | 0 | 0 | 0 | 0 | 113.6 | L507 R514 F515 D548 | L507-S511 WeakPolarHBondContact O-CB 3.44Å; L507-S511 PolarHBondContact O-N 3.43Å; S511-R514 VanDerWaalsContact CB-NH2 3.32Å; S511-R514 PolarHBondContact OG-NH2 3.48Å; S511-F515 VanDerWaalsContact O-CB 3.32Å; S511-F515 WeakPolarHBondContact O-CB 3.46Å; S511-F515 PolarHBondContact O-N 3.4Å; S511-D548 WeakPolarHBondContact CB-OD2 3.48Å; S511-D548 PolarHBondContact OG-OD2 2.75Å |
| 512 | C | 94.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -44.1 | 172.5 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | M508 F515 I516 L550 I562 L566 | M508-C512 VanDerWaalsContact O-CB 3.25Å; M508-C512 WeakPolarHBondContact O-CB 3.49Å; M508-C512 PolarHBondContact O-N 3.29Å; M508-C512 VanDerWaalsContact O-N 3.15Å; M508-C512 PolarHBondContact O-SG 3.5Å; C512-F515 PolarHBondContact O-N 2.73Å; C512-I516 WeakPolarHBondContact O-CG1 3.34Å; C512-I516 PolarHBondContact O-N 2.99Å; C512-L550 HydrophobicContact CB-CD1 4.49Å; C512-I562 HydrophobicContact CB-CG2 4.05Å; C512-L566 HydrophobicContact CB-CB 4.09Å; C512-L566 HydrophobicContact CB-CD1 4.18Å; C512-L566 HydrophobicContact CB-CD2 4.5Å; C512-L566 HydrophobicContact CB-CG 4.49Å |
| 513 | I | 95.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -44.7 | 177.4 | -73.7 | 175.9 | 0 | 0 | 0 | 110.8 | V509 E510 F515 S517 L566 Y619 L620 F623 Y691 | V509-I513 HydrophobicContact CG1-CD1 3.77Å; V509-I513 VanDerWaalsContact O-CB 3.28Å; V509-I513 WeakPolarHBondContact O-CB 3.2Å; V509-I513 VanDerWaalsContact O-CG1 3.3Å; V509-I513 WeakPolarHBondContact O-CG1 3.15Å; V509-I513 PolarHBondContact O-N 3.41Å; E510-I513 PolarHBondContact O-N 3.15Å; I513-F515 VanDerWaalsContact C-N 3.33Å; I513-F515 PolarHBondContact O-N 3.21Å; I513-S517 WeakPolarHBondContact O-CB 3.37Å; I513-S517 PolarHBondContact O-N 2.94Å; I513-L566 HydrophobicContact CD1-CD2 4.34Å; I513-L566 HydrophobicContact CG1-CD1 4.35Å; I513-L566 HydrophobicContact CG1-CD2 3.66Å; I513-Y619 HydrophobicContact CB-CE1 4.02Å; I513-Y619 HydrophobicContact CD1-CD1 3.76Å; I513-Y619 HydrophobicContact CD1-CE1 3.78Å; I513-Y619 HydrophobicContact CG1-CE1 4.49Å; I513-Y619 HydrophobicContact CG2-CD1 4.48Å; I513-Y619 HydrophobicContact CG2-CE1 3.67Å; I513-L620 HydrophobicContact CD1-CD1 4.22Å; I513-F623 HydrophobicContact CB-CG 4.47Å; I513-F623 HydrophobicContact CD1-CB 4.41Å; I513-F623 HydrophobicContact CD1-CD1 4.07Å; I513-F623 HydrophobicContact CD1-CG 4.35Å; I513-F623 HydrophobicContact CG1-CD1 3.86Å; I513-F623 HydrophobicContact CG1-CE1 4.15Å; I513-F623 HydrophobicContact CG1-CG 4.18Å; I513-F623 HydrophobicContact CG2-CB 3.89Å; I513-F623 HydrophobicContact CG2-CD1 4.21Å; I513-F623 HydrophobicContact CG2-CD2 3.7Å; I513-F623 HydrophobicContact CG2-CE2 4.3Å; I513-F623 HydrophobicContact CG2-CG 3.64Å; I513-Y691 HydrophobicContact CG2-CD2 3.81Å; I513-Y691 HydrophobicContact CG2-CE2 3.77Å |
| 514 | R | 91.8 | Very high | 91 | Very high | 57 Ų | 57 | 38.8 Ų | 38.8 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.1 | -44.5 | 174.8 | 174.1 | -178.1 | 55.1 | 74.2 | 2.9 | 112.2 | E510 S511 R518 D548 L550 | E510-R514 VanDerWaalsContact O-CB 3.23Å; E510-R514 WeakPolarHBondContact O-CB 3.29Å; E510-R514 PolarHBondContact O-N 3Å; S511-R514 VanDerWaalsContact CB-NH2 3.32Å; S511-R514 PolarHBondContact OG-NH2 3.48Å; R514-R518 WeakPolarHBondContact O-CG 3.45Å; R514-R518 PolarHBondContact O-N 3.4Å; R514-D548 IonicContact NH2-OD2 3.47Å; R514-L550 PolarHBondContact NH1-O 2.84Å; R514-L550 PolarHBondContact NH2-O 3.46Å |
| 515 | F | 92.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.4 | -50.3 | -176.5 | -160.6 | -90 | 0 | 0 | 0 | 111.6 | S511 C512 I513 S517 R518 H519 L550 M559 I562 | S511-F515 VanDerWaalsContact O-CB 3.32Å; S511-F515 WeakPolarHBondContact O-CB 3.46Å; S511-F515 PolarHBondContact O-N 3.4Å; C512-F515 PolarHBondContact O-N 2.73Å; I513-F515 VanDerWaalsContact C-N 3.33Å; I513-F515 PolarHBondContact O-N 3.21Å; F515-S517 VanDerWaalsContact C-N 3.26Å; F515-S517 PolarHBondContact O-N 3.03Å; F515-R518 PolarHBondContact O-N 3.23Å; F515-H519 AromaticContact CE2-CD2 3.95Å; F515-H519 PolarHBondContact O-N 3.2Å; F515-L550 HydrophobicContact CB-CD1 4.21Å; F515-L550 HydrophobicContact CD2-CB 4.07Å; F515-L550 HydrophobicContact CD2-CD2 4.4Å; F515-L550 HydrophobicContact CE2-CD2 4.5Å; F515-L550 HydrophobicContact CG-CB 4.48Å; F515-L550 HydrophobicContact CG-CD1 4.48Å; F515-M559 HydrophobicContact CD1-CE 4.08Å; F515-M559 HydrophobicContact CD1-SD 4.25Å; F515-M559 HydrophobicContact CE1-CE 3.54Å; F515-M559 HydrophobicContact CE1-SD 4.19Å; F515-I562 HydrophobicContact CD1-CD1 3.34Å; F515-I562 HydrophobicContact CE1-CD1 3.34Å; F515-I562 HydrophobicContact CG-CD1 4.2Å; F515-I562 HydrophobicContact CZ-CD1 4.23Å |
| 516 | I | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.8 | -37.3 | 176 | -59.5 | 168.5 | 0 | 0 | 0 | 110.5 | C512 R518 G520 L521 I526 F527 I562 A563 F623 | C512-I516 WeakPolarHBondContact O-CG1 3.34Å; C512-I516 PolarHBondContact O-N 2.99Å; I516-R518 PolarHBondContact O-N 3.23Å; I516-G520 CarbonylContact O-C 3.58Å; I516-G520 VanDerWaalsContact O-CA 3.28Å; I516-G520 WeakPolarHBondContact O-CA 3.32Å; I516-G520 PolarHBondContact O-N 2.76Å; I516-L521 PolarHBondContact O-N 3.39Å; I516-I526 HydrophobicContact CG2-CG1 4.21Å; I516-F527 HydrophobicContact CD1-CE1 4.15Å; I516-F527 HydrophobicContact CD1-CE2 4.36Å; I516-F527 HydrophobicContact CD1-CZ 3.59Å; I516-I562 HydrophobicContact CD1-CG2 4.07Å; I516-I562 HydrophobicContact CG1-CG2 3.95Å; I516-A563 HydrophobicContact CD1-CB 4.21Å; I516-F623 HydrophobicContact CB-CZ 4.13Å; I516-F623 HydrophobicContact CG2-CE2 4.3Å; I516-F623 HydrophobicContact CG2-CZ 3.81Å |
| 517 | S | 92.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.028 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.4 | -9.9 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 115.1 | I513 F515 L521 Y691 P694 | I513-S517 WeakPolarHBondContact O-CB 3.37Å; I513-S517 PolarHBondContact O-N 2.94Å; F515-S517 VanDerWaalsContact C-N 3.26Å; F515-S517 PolarHBondContact O-N 3.03Å; S517-L521 WeakPolarHBondContact O-CD1 3.5Å; S517-Y691 WeakPolarHBondContact CB-OH 3.33Å; S517-Y691 PolarHBondContact OG-OH 2.86Å; S517-P694 WeakPolarHBondContact OG-CD 3.24Å; S517-P694 WeakPolarHBondContact OG-CG 3.33Å |
| 518 | R | 90.3 | Very high | 92.8 | Very high | 119 Ų | 119 | 37.8 Ų | 37.8 | 45% | 0.449 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -105.9 | -43.3 | 174.6 | -74.3 | 172.6 | 173.2 | -170.6 | -7.8 | 111.9 | R514 F515 I516 D553 | R514-R518 WeakPolarHBondContact O-CG 3.45Å; R514-R518 PolarHBondContact O-N 3.4Å; F515-R518 PolarHBondContact O-N 3.23Å; I516-R518 PolarHBondContact O-N 3.23Å; R518-D553 IonicContact CZ-OD1 2.64Å; R518-D553 IonicContact CZ-OD2 2.57Å; R518-D553 IonicContact NH1-OD1 3.9Å; R518-D553 PolarHBondContact NH1-OD1 2.9Å; R518-D553 IonicContact NH1-OD2 3.72Å; R518-D553 PolarHBondContact NH1-OD2 3.45Å |
| 519 | H | 89.8 | Confident | 92.9 | Very high | 78 Ų | 78 | 39.8 Ų | 39.8 | 36% | 0.361 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -119.2 | -11.4 | -163.7 | -54.7 | -54.8 | 0 | 0 | 0 | 113.7 | F515 D553 M559 | F515-H519 AromaticContact CE2-CD2 3.95Å; F515-H519 PolarHBondContact O-N 3.2Å; H519-D553 IonicContact CE1-OD1 2.68Å; H519-D553 IonicContact NE2-OD1 3.26Å; H519-D553 PolarHBondContact NE2-OD1 3.22Å; H519-M559 HydrophobicContact CB-CE 3.44Å; H519-M559 VanDerWaalsContact CB-CE 3.44Å; H519-M559 HydrophobicContact CB-SD 4.41Å |
| 520 | G | 90.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -120.9 | 3.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | I516 Q522 H523 | I516-G520 CarbonylContact O-C 3.58Å; I516-G520 VanDerWaalsContact O-CA 3.28Å; I516-G520 WeakPolarHBondContact O-CA 3.32Å; I516-G520 PolarHBondContact O-N 2.76Å; G520-Q522 VanDerWaalsContact C-N 3.26Å; G520-Q522 PolarHBondContact O-N 2.93Å; G520-H523 WeakPolarHBondContact O-CB 3.34Å; G520-H523 PolarHBondContact O-N 2.88Å |
| 521 | L | 93.6 | Very high | 92.6 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 10% | 0.099 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -32.3 | -178.3 | -68.2 | 177.5 | 0 | 0 | 0 | 113.3 | I516 S517 L627 Y630 N634 | I516-L521 PolarHBondContact O-N 3.39Å; S517-L521 WeakPolarHBondContact O-CD1 3.5Å; L521-L627 HydrophobicContact CD2-CD1 3.82Å; L521-Y630 HydrophobicContact CB-CD1 4.4Å; L521-Y630 HydrophobicContact CB-CD2 4.18Å; L521-Y630 HydrophobicContact CB-CE2 4.37Å; L521-Y630 HydrophobicContact CB-CG 4.21Å; L521-Y630 HydrophobicContact CD1-CD2 4.41Å; L521-Y630 HydrophobicContact CD1-CE2 3.84Å; L521-Y630 HydrophobicContact CD2-CD2 4.46Å; L521-Y630 HydrophobicContact CG-CE2 4.49Å; L521-Y630 WeakPolarHBondContact O-CB 3.41Å; L521-N634 WeakPolarHBondContact O-CB 3.45Å; L521-N634 PolarHBondContact O-ND2 3.23Å |
| 522 | Q | 92 | Very high | 92.7 | Very high | 129 Ų | 129 | 43.3 Ų | 43.3 | 60% | 0.603 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 3.8 | -179.6 | -57.4 | 172.9 | -72 | 0 | 0 | 112.7 | G520 E524 Y630 E633 | G520-Q522 VanDerWaalsContact C-N 3.26Å; G520-Q522 PolarHBondContact O-N 2.93Å; Q522-E524 PolarHBondContact O-N 2.78Å; Q522-Y630 HydrophobicContact CG-CD1 4.32Å; Q522-E633 WeakPolarHBondContact CG-OE2 3.48Å; Q522-E633 PolarHBondContact NE2-OE2 3.47Å |
| 523 | H | 93.9 | Very high | 92.6 | Very high | 60 Ų | 60 | 49 Ų | 49 | 28% | 0.278 | 24% | 0.241 | S | C | . | . | trans | -75.3 | 116.8 | -173.7 | -171 | -74.6 | 0 | 0 | 0 | 111.4 | G520 G525 I526 D560 N634 | G520-H523 WeakPolarHBondContact O-CB 3.34Å; G520-H523 PolarHBondContact O-N 2.88Å; H523-G525 PolarHBondContact O-N 2.81Å; H523-I526 HydrophobicContact CB-CB 4.26Å; H523-I526 HydrophobicContact CB-CD1 4.38Å; H523-I526 WeakPolarHBondContact O-CB 3.5Å; H523-I526 PolarHBondContact O-N 2.84Å; H523-D560 IonicContact CE1-OD2 2.89Å; H523-D560 PolarHBondContact CE1-OD2 2.68Å; H523-N634 WeakPolarHBondContact O-CB 3.46Å | ||
| 524 | E | 94.4 | Very high | 92.4 | Very high | 107 Ų | 107 | 54 Ų | 54 | 50% | 0.5 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 131.6 | -174.8 | -152 | -130.1 | 120 | 0 | 0 | 111.8 | Q522 I526 R528 M635 | Q522-E524 PolarHBondContact O-N 2.78Å; E524-I526 PolarHBondContact O-N 2.99Å; E524-R528 IonicContact OE1-CZ 3.18Å; E524-R528 IonicContact OE1-NH1 3.87Å; E524-R528 IonicContact OE1-NH2 2.69Å; E524-R528 PolarHBondContact OE1-NH2 2.73Å; E524-M635 HydrophobicContact CG-CB 4.16Å; E524-M635 HydrophobicContact CG-CG 3.58Å |
| 525 | G | 92.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 19.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | H523 F527 R528 V529 N634 | H523-G525 PolarHBondContact O-N 2.81Å; G525-F527 PolarHBondContact O-N 2.87Å; G525-R528 CarbonylContact O-C 3.54Å; G525-R528 WeakPolarHBondContact O-CA 3.15Å; G525-R528 VanDerWaalsContact O-CB 3.26Å; G525-R528 WeakPolarHBondContact O-CB 3.27Å; G525-R528 PolarHBondContact O-N 3.07Å; G525-V529 PolarHBondContact O-N 3.46Å; G525-N634 PolarHBondContact N-O 3.41Å |
| 526 | I | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 133.3 | 176 | -168.5 | 67 | 0 | 0 | 0 | 111.3 | I516 H523 E524 R528 M559 A563 L627 N634 M636 | I516-I526 HydrophobicContact CG2-CG1 4.21Å; H523-I526 HydrophobicContact CB-CB 4.26Å; H523-I526 HydrophobicContact CB-CD1 4.38Å; H523-I526 WeakPolarHBondContact O-CB 3.5Å; H523-I526 PolarHBondContact O-N 2.84Å; E524-I526 PolarHBondContact O-N 2.99Å; I526-R528 PolarHBondContact O-N 3.21Å; I526-M559 HydrophobicContact CD1-CB 4.13Å; I526-A563 HydrophobicContact CD1-CB 3.7Å; I526-A563 HydrophobicContact CG1-CB 4.26Å; I526-L627 HydrophobicContact CG2-CD1 4.15Å; I526-L627 HydrophobicContact CG2-CD2 4.23Å; I526-N634 HydrophobicContact CG2-CB 4.39Å; I526-M636 HydrophobicContact CG2-CG 4.22Å; I526-M636 WeakPolarHBondContact O-CG 3.49Å |
| 527 | F | 96.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | -18.7 | -167.8 | -55.2 | -77.1 | 0 | 0 | 0 | 117.5 | I516 G525 A563 L566 K567 F623 L627 L641 C644 F645 | I516-F527 HydrophobicContact CD1-CE1 4.15Å; I516-F527 HydrophobicContact CD1-CE2 4.36Å; I516-F527 HydrophobicContact CD1-CZ 3.59Å; G525-F527 PolarHBondContact O-N 2.87Å; F527-A563 HydrophobicContact CD1-CB 3.59Å; F527-A563 HydrophobicContact CE1-CB 3.64Å; F527-A563 HydrophobicContact CG-CB 4.13Å; F527-A563 HydrophobicContact CZ-CB 4.22Å; F527-L566 HydrophobicContact CE1-CB 4.28Å; F527-L566 HydrophobicContact CE1-CD2 3.96Å; F527-L566 HydrophobicContact CE1-CG 4.5Å; F527-L566 HydrophobicContact CZ-CD2 3.9Å; F527-K567 HydrophobicContact CB-CD 4.32Å; F527-K567 HydrophobicContact CD1-CD 4.09Å; F527-K567 HydrophobicContact CD1-CG 3.91Å; F527-K567 PolarHBondContact O-NZ 2.9Å; F527-F623 HydrophobicContact CE2-CE1 4.02Å; F527-F623 HydrophobicContact CE2-CZ 4.15Å; F527-F623 AromaticContact CZ-CE1 3.93Å; F527-F623 HydrophobicContact CZ-CE1 3.93Å; F527-F623 HydrophobicContact CZ-CZ 4.24Å; F527-L627 HydrophobicContact CD2-CD2 3.8Å; F527-L627 HydrophobicContact CE2-CD2 3.54Å; F527-L641 HydrophobicContact CD2-CD2 4.23Å; F527-C644 HydrophobicContact CB-CB 4.35Å; F527-F645 HydrophobicContact CB-CE2 4.15Å; F527-F645 AromaticContact CD1-CE2 3.74Å; F527-F645 HydrophobicContact CD1-CE2 3.74Å; F527-F645 AromaticContact CD1-CZ 3.69Å; F527-F645 HydrophobicContact CD1-CZ 3.69Å; F527-F645 HydrophobicContact CD2-CE2 4.06Å; F527-F645 HydrophobicContact CE1-CE2 4.11Å; F527-F645 AromaticContact CE1-CZ 3.7Å; F527-F645 HydrophobicContact CE1-CZ 3.7Å; F527-F645 HydrophobicContact CE2-CE2 4.41Å; F527-F645 AromaticContact CG-CE2 3.71Å; F527-F645 HydrophobicContact CG-CE2 3.71Å; F527-F645 HydrophobicContact CG-CZ 4.15Å; F527-F645 HydrophobicContact CZ-CE2 4.43Å; F527-F645 HydrophobicContact CZ-CZ 4.16Å |
| 528 | R | 94.7 | Very high | 92.3 | Very high | 112 Ų | 112 | 60.8 Ų | 60.8 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -44 | 171.3 | 178.2 | -171.4 | 76.5 | -158.5 | 6 | 111.1 | E524 G525 I526 M636 | E524-R528 IonicContact OE1-CZ 3.18Å; E524-R528 IonicContact OE1-NH1 3.87Å; E524-R528 IonicContact OE1-NH2 2.69Å; E524-R528 PolarHBondContact OE1-NH2 2.73Å; G525-R528 CarbonylContact O-C 3.54Å; G525-R528 WeakPolarHBondContact O-CA 3.15Å; G525-R528 VanDerWaalsContact O-CB 3.26Å; G525-R528 WeakPolarHBondContact O-CB 3.27Å; G525-R528 PolarHBondContact O-N 3.07Å; I526-R528 PolarHBondContact O-N 3.21Å; R528-M636 HydrophobicContact CB-CE 3.83Å; R528-M636 HydrophobicContact CB-SD 3.59Å; R528-M636 VanDerWaalsContact CB-SD 3.59Å; R528-M636 HydrophobicContact CG-SD 4.41Å |
| 529 | V | 92.6 | Very high | 92.4 | Very high | 63 Ų | 63 | 55.3 Ų | 55.3 | 38% | 0.382 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -72.8 | 162 | 173.1 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | G525 D560 K567 | G525-V529 PolarHBondContact O-N 3.46Å; V529-D560 VanDerWaalsContact CB-OD2 3.28Å; V529-D560 WeakPolarHBondContact CB-OD2 3.48Å; V529-D560 HydrophobicContact CG1-CB 4.34Å; V529-D560 WeakPolarHBondContact CG1-OD2 3.16Å; V529-K567 PolarHBondContact O-NZ 3.17Å |
| 530 | S | 90 | Very high | 92.4 | Very high | 94 Ų | 94 | 53.9 Ų | 53.9 | 66% | 0.657 | 28% | 0.282 | S | S | * | . | trans | -122.5 | 111.9 | -177.1 | -65.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 531 | G | 89.4 | Confident | 92.5 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 9% | 0.093 | 30% | 0.296 | C | S | . | . | trans | -68 | 173.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q533 D558 D560 S561 | G531-Q533 PolarHBondContact O-N 3.44Å; G531-Q533 VanDerWaalsContact O-N 3.14Å; G531-Q533 PolarHBondContact O-NE2 2.97Å; G531-D558 WeakPolarHBondContact CA-OD2 3.45Å; G531-D560 PolarHBondContact N-O 3.22Å; G531-S561 WeakPolarHBondContact CA-OG 3.41Å | ||
| 532 | S | 93.3 | Very high | 92.2 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 39% | 0.392 | 29% | 0.294 | S | S | . | . | trans | -52.2 | 113.9 | 178.9 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | V534 E535 V536 S561 | S532-V534 PolarHBondContact O-N 2.97Å; S532-V534 VanDerWaalsContact O-N 3.13Å; S532-E535 PolarHBondContact O-N 3.18Å; S532-E535 VanDerWaalsContact O-N 3.09Å; S532-E535 PolarHBondContact OG-N 2.66Å; S532-V536 VanDerWaalsContact O-CG2 3.27Å; S532-V536 WeakPolarHBondContact O-CG2 3.39Å; S532-V536 PolarHBondContact O-N 2.97Å; S532-S561 PolarHBondContact N-OG 3.38Å | ||
| 533 | Q | 91.9 | Very high | 92.1 | Very high | 120 Ų | 120 | 50.3 Ų | 50.3 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.9 | -19.1 | -178.8 | -63.5 | -57.2 | -74.4 | 0 | 0 | 113.3 | G531 N537 | G531-Q533 PolarHBondContact O-N 3.44Å; G531-Q533 VanDerWaalsContact O-N 3.14Å; G531-Q533 PolarHBondContact O-NE2 2.97Å; Q533-N537 PolarHBondContact O-N 3.35Å; Q533-N537 PolarHBondContact O-ND2 2.92Å |
| 534 | V | 90.8 | Very high | 91.8 | Very high | 103 Ų | 103 | 53.1 Ų | 53.1 | 62% | 0.624 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -71.3 | -54.1 | 170.6 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | S532 V536 N537 D538 | S532-V534 PolarHBondContact O-N 2.97Å; S532-V534 VanDerWaalsContact O-N 3.13Å; V534-V536 PolarHBondContact O-N 3Å; V534-N537 CarbonylContact O-C 3.51Å; V534-N537 PolarHBondContact O-N 3.18Å; V534-D538 PolarHBondContact O-N 3.39Å |
| 535 | E | 92.7 | Very high | 91.3 | Very high | 45 Ų | 45 | 55.3 Ų | 55.3 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | -177.6 | -171.9 | 170 | 179.4 | 0 | 0 | 112.8 | S532 N537 D538 I539 H557 D558 | S532-E535 PolarHBondContact O-N 3.18Å; S532-E535 VanDerWaalsContact O-N 3.09Å; S532-E535 PolarHBondContact OG-N 2.66Å; E535-N537 VanDerWaalsContact C-N 3.25Å; E535-N537 PolarHBondContact O-N 3.27Å; E535-D538 PolarHBondContact O-N 3.02Å; E535-I539 HydrophobicContact CG-CD1 3.78Å; E535-I539 HydrophobicContact CG-CG1 4.26Å; E535-I539 WeakPolarHBondContact O-CB 3.39Å; E535-I539 WeakPolarHBondContact O-CG1 3.29Å; E535-I539 PolarHBondContact O-N 3.28Å; E535-H557 WeakPolarHBondContact OE1-CA 3.32Å; E535-H557 IonicContact OE1-CE1 2.61Å; E535-H557 IonicContact OE1-CG 2.7Å; E535-H557 IonicContact OE1-ND1 3.39Å; E535-H557 PolarHBondContact OE1-ND1 2.91Å; E535-D558 PolarHBondContact OE1-N 2.75Å |
| 536 | V | 93 | Very high | 90.9 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -54.6 | -42.6 | 170.8 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | S532 V534 K540 S561 V565 L568 | S532-V536 VanDerWaalsContact O-CG2 3.27Å; S532-V536 WeakPolarHBondContact O-CG2 3.39Å; S532-V536 PolarHBondContact O-N 2.97Å; V534-V536 PolarHBondContact O-N 3Å; V536-K540 WeakPolarHBondContact O-CB 3.44Å; V536-K540 PolarHBondContact O-N 3.29Å; V536-K540 VanDerWaalsContact O-N 3.15Å; V536-S561 WeakPolarHBondContact CG2-O 3.31Å; V536-V565 HydrophobicContact CB-CG2 4.36Å; V536-V565 HydrophobicContact CG1-CG2 4.05Å; V536-V565 WeakPolarHBondContact O-CG2 3.19Å; V536-L568 HydrophobicContact CG1-CD2 3.74Å |
| 537 | N | 91.4 | Very high | 90.4 | Very high | 68 Ų | 68 | 62.6 Ų | 62.6 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -74.4 | -38.9 | 177.6 | -81.6 | -68.5 | 0 | 0 | 0 | 111.9 | Q533 V534 E535 K540 N541 | Q533-N537 PolarHBondContact O-N 3.35Å; Q533-N537 PolarHBondContact O-ND2 2.92Å; V534-N537 CarbonylContact O-C 3.51Å; V534-N537 PolarHBondContact O-N 3.18Å; E535-N537 VanDerWaalsContact C-N 3.25Å; E535-N537 PolarHBondContact O-N 3.27Å; N537-K540 PolarHBondContact O-N 2.83Å; N537-N541 WeakPolarHBondContact O-CB 3.25Å; N537-N541 PolarHBondContact O-N 3.24Å; N537-N541 PolarHBondContact O-ND2 3.46Å; N537-N541 PolarHBondContact O-OD1 3.47Å |
| 538 | D | 92 | Very high | 90 | Very high | 90 Ų | 90 | 64.4 Ų | 64.4 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.7 | -42.7 | -180 | -72.9 | -30.8 | 0 | 0 | 0 | 112.8 | V534 E535 N541 A542 | V534-D538 PolarHBondContact O-N 3.39Å; E535-D538 PolarHBondContact O-N 3.02Å; D538-N541 PolarHBondContact O-N 3.47Å; D538-A542 PolarHBondContact O-N 3.13Å |
| 539 | I | 90.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62 | -47.1 | 172.3 | -66.7 | 171.4 | 0 | 0 | 0 | 110.1 | E535 N541 A542 F543 P549 H557 I562 V565 | E535-I539 HydrophobicContact CG-CD1 3.78Å; E535-I539 HydrophobicContact CG-CG1 4.26Å; E535-I539 WeakPolarHBondContact O-CB 3.39Å; E535-I539 WeakPolarHBondContact O-CG1 3.29Å; E535-I539 PolarHBondContact O-N 3.28Å; I539-N541 VanDerWaalsContact C-N 3.32Å; I539-N541 PolarHBondContact O-N 3.2Å; I539-A542 WeakPolarHBondContact O-CB 3.47Å; I539-A542 PolarHBondContact O-N 3.35Å; I539-F543 HydrophobicContact CG2-CD2 4.02Å; I539-F543 HydrophobicContact CG2-CE2 3.75Å; I539-F543 VanDerWaalsContact O-CD2 3.29Å; I539-F543 WeakPolarHBondContact O-CD2 3.28Å; I539-F543 PolarHBondContact O-N 3.44Å; I539-P549 HydrophobicContact CB-CG 4.49Å; I539-P549 HydrophobicContact CG2-CG 3.85Å; I539-H557 HydrophobicContact CD1-CB 4.5Å; I539-I562 HydrophobicContact CD1-CG1 4.17Å; I539-V565 HydrophobicContact CB-CG2 3.92Å; I539-V565 HydrophobicContact CG2-CB 4.46Å; I539-V565 HydrophobicContact CG2-CG1 4.25Å; I539-V565 HydrophobicContact CG2-CG2 3.77Å |
| 540 | K | 91.1 | Very high | 89.4 | Confident | 48 Ų | 48 | 58.1 Ų | 58.1 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.3 | -46.8 | 174 | 172.2 | -171.9 | 163.7 | -70.1 | 0 | 111.4 | M508 V536 N537 A542 F543 E544 L568 | M508-K540 HydrophobicContact CE-CB 4.48Å; M508-K540 HydrophobicContact CE-CG 4.22Å; V536-K540 WeakPolarHBondContact O-CB 3.44Å; V536-K540 PolarHBondContact O-N 3.29Å; V536-K540 VanDerWaalsContact O-N 3.15Å; N537-K540 PolarHBondContact O-N 2.83Å; K540-A542 VanDerWaalsContact C-N 3.28Å; K540-A542 PolarHBondContact O-N 2.93Å; K540-F543 PolarHBondContact O-N 3.2Å; K540-E544 WeakPolarHBondContact CE-OE1 3.13Å; K540-E544 IonicContact NZ-OE1 3.14Å; K540-E544 PolarHBondContact NZ-OE1 2.7Å; K540-E544 IonicContact NZ-OE2 2.84Å; K540-E544 PolarHBondContact NZ-OE2 3.27Å; K540-E544 PolarHBondContact O-N 2.87Å; K540-L568 HydrophobicContact CD-CD2 3.85Å |
| 541 | N | 91.3 | Very high | 88.9 | Confident | 55 Ų | 55 | 57 Ų | 57 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.7 | -29.9 | -178 | -68.9 | -23.8 | 0 | 0 | 0 | 111.6 | N537 D538 I539 E544 R545 | N537-N541 WeakPolarHBondContact O-CB 3.25Å; N537-N541 PolarHBondContact O-N 3.24Å; N537-N541 PolarHBondContact O-ND2 3.46Å; N537-N541 PolarHBondContact O-OD1 3.47Å; D538-N541 PolarHBondContact O-N 3.47Å; I539-N541 VanDerWaalsContact C-N 3.32Å; I539-N541 PolarHBondContact O-N 3.2Å; N541-E544 PolarHBondContact O-N 3.13Å; N541-R545 WeakPolarHBondContact O-CG 3.45Å; N541-R545 PolarHBondContact O-N 3.26Å; N541-R545 PolarHBondContact O-NH1 2.89Å |
| 542 | A | 88.2 | Confident | 88.1 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.9 | -50.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D538 I539 K540 E544 R545 G546 E547 P549 | D538-A542 PolarHBondContact O-N 3.13Å; I539-A542 WeakPolarHBondContact O-CB 3.47Å; I539-A542 PolarHBondContact O-N 3.35Å; K540-A542 VanDerWaalsContact C-N 3.28Å; K540-A542 PolarHBondContact O-N 2.93Å; A542-E544 VanDerWaalsContact C-N 3.25Å; A542-E544 PolarHBondContact O-N 2.61Å; A542-R545 WeakPolarHBondContact O-CA 3.27Å; A542-R545 WeakPolarHBondContact O-CB 3.29Å; A542-R545 PolarHBondContact O-N 3.27Å; A542-G546 PolarHBondContact O-N 2.76Å; A542-G546 VanDerWaalsContact O-N 3.11Å; A542-E547 CarbonylContact C-O 3.37Å; A542-E547 HydrophobicContact CB-CB 4.23Å; A542-E547 PolarHBondContact O-N 3.21Å; A542-P549 HydrophobicContact CB-CB 4.35Å; A542-P549 HydrophobicContact CB-CG 3.95Å |
| 543 | F | 89.9 | Confident | 86.7 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 5% | 0.053 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59 | -34.8 | 173.8 | -74.7 | -65.5 | 0 | 0 | 0 | 112.9 | L507 M508 I539 K540 G546 E547 D548 P549 L550 | L507-F543 HydrophobicContact CG-CE1 4.35Å; M508-F543 HydrophobicContact CB-CB 4.37Å; M508-F543 HydrophobicContact CB-CD1 4.11Å; M508-F543 HydrophobicContact CB-CD2 4.19Å; M508-F543 HydrophobicContact CB-CE1 4.42Å; M508-F543 HydrophobicContact CB-CE2 4.49Å; M508-F543 HydrophobicContact CB-CG 3.99Å; M508-F543 HydrophobicContact CE-CB 3.38Å; M508-F543 HydrophobicContact CE-CD2 3.84Å; M508-F543 HydrophobicContact CE-CG 3.89Å; M508-F543 HydrophobicContact CG-CD2 3.75Å; M508-F543 HydrophobicContact CG-CE2 4.01Å; M508-F543 HydrophobicContact CG-CG 4.05Å; I539-F543 HydrophobicContact CG2-CD2 4.02Å; I539-F543 HydrophobicContact CG2-CE2 3.75Å; I539-F543 VanDerWaalsContact O-CD2 3.29Å; I539-F543 WeakPolarHBondContact O-CD2 3.28Å; I539-F543 PolarHBondContact O-N 3.44Å; K540-F543 PolarHBondContact O-N 3.2Å; F543-G546 PolarHBondContact O-N 2.92Å; F543-G546 VanDerWaalsContact O-N 3.13Å; F543-E547 VanDerWaalsContact CA-O 3.27Å; F543-E547 WeakPolarHBondContact CA-O 3.4Å; F543-E547 PolarHBondContact N-O 2.84Å; F543-D548 HydrophobicContact CE1-CB 4.08Å; F543-D548 VanDerWaalsContact CE1-OD1 3.3Å; F543-D548 WeakPolarHBondContact CE1-OD1 3.17Å; F543-D548 WeakPolarHBondContact CZ-OD1 3.38Å; F543-P549 HydrophobicContact CD2-CG 4.29Å; F543-P549 HydrophobicContact CE2-CG 3.93Å; F543-P549 HydrophobicContact CZ-CG 4.2Å; F543-L550 HydrophobicContact CE2-CD1 4.48Å; F543-L550 HydrophobicContact CZ-CD1 4.3Å; F543-L550 HydrophobicContact CZ-CG 4.32Å |
| 544 | E | 86.6 | Confident | 85.5 | Confident | 118 Ų | 118 | 60.8 Ų | 60.8 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -72.1 | -25.6 | 174 | -74.9 | 178.9 | 163.5 | 0 | 0 | 113.8 | K540 N541 A542 G546 | K540-E544 WeakPolarHBondContact CE-OE1 3.13Å; K540-E544 IonicContact NZ-OE1 3.14Å; K540-E544 PolarHBondContact NZ-OE1 2.7Å; K540-E544 IonicContact NZ-OE2 2.84Å; K540-E544 PolarHBondContact NZ-OE2 3.27Å; K540-E544 PolarHBondContact O-N 2.87Å; N541-E544 PolarHBondContact O-N 3.13Å; A542-E544 VanDerWaalsContact C-N 3.25Å; A542-E544 PolarHBondContact O-N 2.61Å; E544-G546 VanDerWaalsContact C-N 3.26Å |
| 545 | R | 85.4 | Confident | 84.4 | Confident | 153 Ų | 153 | 61 Ų | 61 | 58% | 0.577 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -74.2 | -16.1 | 166.5 | -70.6 | -175.6 | -55.3 | -92.8 | 7.5 | 112.9 | N541 A542 E547 | N541-R545 WeakPolarHBondContact O-CG 3.45Å; N541-R545 PolarHBondContact O-N 3.26Å; N541-R545 PolarHBondContact O-NH1 2.89Å; A542-R545 WeakPolarHBondContact O-CA 3.27Å; A542-R545 WeakPolarHBondContact O-CB 3.29Å; A542-R545 PolarHBondContact O-N 3.27Å; R545-E547 HydrophobicContact CB-CG 4.38Å; R545-E547 IonicContact CZ-OE2 2.68Å; R545-E547 VanDerWaalsContact NE-CD 3.28Å; R545-E547 IonicContact NE-OE1 3.94Å; R545-E547 PolarHBondContact NE-OE1 3.4Å; R545-E547 VanDerWaalsContact NE-OE1 3.09Å; R545-E547 IonicContact NE-OE2 3.92Å; R545-E547 PolarHBondContact NE-OE2 3.12Å; R545-E547 IonicContact NH2-OE2 2.66Å; R545-E547 PolarHBondContact NH2-OE2 3.43Å |
| 546 | G | 82.6 | Confident | 83.6 | Confident | 61 Ų | 61 | 64.4 Ų | 64.4 | 63% | 0.629 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | 19.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A542 F543 E544 | A542-G546 PolarHBondContact O-N 2.76Å; A542-G546 VanDerWaalsContact O-N 3.11Å; F543-G546 PolarHBondContact O-N 2.92Å; F543-G546 VanDerWaalsContact O-N 3.13Å; E544-G546 VanDerWaalsContact C-N 3.26Å |
| 547 | E | 85.3 | Confident | 83.2 | Confident | 93 Ų | 93 | 66.9 Ų | 66.9 | 44% | 0.435 | 37% | 0.367 | S | S | . | . | trans | -94.2 | 143.2 | 171.6 | -63.5 | 153.7 | -164.2 | 0 | 0 | 108.9 | A542 F543 R545 P549 | A542-E547 CarbonylContact C-O 3.37Å; A542-E547 HydrophobicContact CB-CB 4.23Å; A542-E547 PolarHBondContact O-N 3.21Å; F543-E547 VanDerWaalsContact CA-O 3.27Å; F543-E547 WeakPolarHBondContact CA-O 3.4Å; F543-E547 PolarHBondContact N-O 2.84Å; R545-E547 HydrophobicContact CB-CG 4.38Å; R545-E547 IonicContact CZ-OE2 2.68Å; R545-E547 VanDerWaalsContact NE-CD 3.28Å; R545-E547 IonicContact NE-OE1 3.94Å; R545-E547 PolarHBondContact NE-OE1 3.4Å; R545-E547 VanDerWaalsContact NE-OE1 3.09Å; R545-E547 IonicContact NE-OE2 3.92Å; R545-E547 PolarHBondContact NE-OE2 3.12Å; R545-E547 IonicContact NH2-OE2 2.66Å; R545-E547 PolarHBondContact NH2-OE2 3.43Å; E547-P549 WeakPolarHBondContact O-CD 3.33Å | ||
| 548 | D | 87.6 | Confident | 83.1 | Confident | 40 Ų | 40 | 66.3 Ų | 66.3 | 21% | 0.214 | 36% | 0.364 | C | S | . | . | trans | -104.8 | 99.2 | 168.1 | -177.9 | 0.2 | 0 | 0 | 0 | 109.3 | L507 S511 R514 F543 L550 A551 | L507-D548 HydrophobicContact CD2-CB 4.31Å; S511-D548 WeakPolarHBondContact CB-OD2 3.48Å; S511-D548 PolarHBondContact OG-OD2 2.75Å; R514-D548 IonicContact NH2-OD2 3.47Å; F543-D548 HydrophobicContact CE1-CB 4.08Å; F543-D548 VanDerWaalsContact CE1-OD1 3.3Å; F543-D548 WeakPolarHBondContact CE1-OD1 3.17Å; F543-D548 WeakPolarHBondContact CZ-OD1 3.38Å; D548-L550 PolarHBondContact O-N 3.3Å; D548-L550 WeakPolarHBondContact OD1-CA 3.07Å; D548-L550 PolarHBondContact OD1-N 3.3Å; D548-A551 HydrophobicContact CB-CB 4.05Å; D548-A551 WeakPolarHBondContact O-CB 3.1Å; D548-A551 PolarHBondContact O-N 3.42Å; D548-A551 PolarHBondContact OD1-N 2.76Å | ||
| 549 | P | 86.3 | Confident | 83.2 | Confident | 43 Ų | 43 | 62.5 Ų | 62.5 | 28% | 0.279 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -17.8 | 179 | 28.3 | -35.2 | 0 | 0 | 0 | 113 | I539 A542 F543 E547 | I539-P549 HydrophobicContact CB-CG 4.49Å; I539-P549 HydrophobicContact CG2-CG 3.85Å; A542-P549 HydrophobicContact CB-CB 4.35Å; A542-P549 HydrophobicContact CB-CG 3.95Å; F543-P549 HydrophobicContact CD2-CG 4.29Å; F543-P549 HydrophobicContact CE2-CG 3.93Å; F543-P549 HydrophobicContact CZ-CG 4.2Å; E547-P549 WeakPolarHBondContact O-CD 3.33Å |
| 550 | L | 87.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 10.3 | -177.9 | -52.8 | -178.2 | 0 | 0 | 0 | 112.5 | C512 R514 F515 F543 D548 G552 I562 | C512-L550 HydrophobicContact CB-CD1 4.49Å; R514-L550 PolarHBondContact NH1-O 2.84Å; R514-L550 PolarHBondContact NH2-O 3.46Å; F515-L550 HydrophobicContact CB-CD1 4.21Å; F515-L550 HydrophobicContact CD2-CB 4.07Å; F515-L550 HydrophobicContact CD2-CD2 4.4Å; F515-L550 HydrophobicContact CE2-CD2 4.5Å; F515-L550 HydrophobicContact CG-CB 4.48Å; F515-L550 HydrophobicContact CG-CD1 4.48Å; F543-L550 HydrophobicContact CE2-CD1 4.48Å; F543-L550 HydrophobicContact CZ-CD1 4.3Å; F543-L550 HydrophobicContact CZ-CG 4.32Å; D548-L550 PolarHBondContact O-N 3.3Å; D548-L550 WeakPolarHBondContact OD1-CA 3.07Å; D548-L550 PolarHBondContact OD1-N 3.3Å; L550-G552 VanDerWaalsContact C-N 3.28Å; L550-G552 PolarHBondContact O-N 2.84Å; L550-I562 HydrophobicContact CD1-CD1 4.23Å; L550-I562 HydrophobicContact CD1-CG1 4.27Å; L550-I562 HydrophobicContact CD1-CG2 3.74Å; L550-I562 HydrophobicContact CD2-CD1 3.61Å; L550-I562 HydrophobicContact CD2-CG1 4.05Å |
| 551 | A | 80.4 | Confident | 83.6 | Confident | 69 Ų | 69 | 60.8 Ų | 60.8 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -67.1 | -24.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | D548 | D548-A551 HydrophobicContact CB-CB 4.05Å; D548-A551 WeakPolarHBondContact O-CB 3.1Å; D548-A551 PolarHBondContact O-N 3.42Å; D548-A551 PolarHBondContact OD1-N 2.76Å |
| 552 | G | 72.4 | Confident | 83.7 | Confident | 41 Ų | 41 | 58.1 Ų | 58.1 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -94.4 | 152.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L550 Q554 | L550-G552 VanDerWaalsContact C-N 3.28Å; L550-G552 PolarHBondContact O-N 2.84Å; G552-Q554 PolarHBondContact O-N 2.78Å |
| 553 | D | 64.4 | Low | 84.1 | Confident | 91 Ų | 91 | 57.8 Ų | 57.8 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | trans | -83.4 | 33.2 | 169.2 | -77.2 | -60.5 | 0 | 0 | 0 | 112.3 | R518 H519 | R518-D553 IonicContact CZ-OD1 2.64Å; R518-D553 IonicContact CZ-OD2 2.57Å; R518-D553 IonicContact NH1-OD1 3.9Å; R518-D553 PolarHBondContact NH1-OD1 2.9Å; R518-D553 IonicContact NH1-OD2 3.72Å; R518-D553 PolarHBondContact NH1-OD2 3.45Å; H519-D553 IonicContact CE1-OD1 2.68Å; H519-D553 IonicContact NE2-OD1 3.26Å; H519-D553 PolarHBondContact NE2-OD1 3.22Å | ||
| 554 | Q | 66.1 | Low | 84.3 | Confident | 134 Ų | 134 | 57.7 Ų | 57.7 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | trans | -86.5 | 129.7 | 168.6 | -56.6 | -152.6 | 147.9 | 0 | 0 | 109.4 | G552 D556 | G552-Q554 PolarHBondContact O-N 2.78Å; Q554-D556 WeakPolarHBondContact CB-OD2 3.13Å; Q554-D556 PolarHBondContact NE2-OD2 3.06Å; Q554-D556 PolarHBondContact O-N 2.94Å | ||
| 555 | N | 68.3 | Low | 84.7 | Confident | 106 Ų | 106 | 52.1 Ų | 52.1 | 57% | 0.567 | 30% | 0.296 | S | S | * | . | trans | -86.7 | 51.2 | -179 | -159.9 | 33 | 0 | 0 | 0 | 111.7 | H557 M559 | N555-H557 VanDerWaalsContact C-N 3.31Å; N555-M559 WeakPolarHBondContact OD1-CE 3.47Å | ||
| 556 | D | 75.3 | Confident | 85.2 | Confident | 117 Ų | 117 | 44.9 Ų | 44.9 | 63% | 0.626 | 27% | 0.269 | S | S | * | . | trans | -85.9 | -1.4 | -174.6 | -60.4 | -33.9 | 0 | 0 | 0 | 113.2 | Q554 | Q554-D556 WeakPolarHBondContact CB-OD2 3.13Å; Q554-D556 PolarHBondContact NE2-OD2 3.06Å; Q554-D556 PolarHBondContact O-N 2.94Å | ||
| 557 | H | 84.3 | Confident | 85.8 | Confident | 56 Ų | 56 | 43.5 Ų | 43.5 | 26% | 0.259 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -125.2 | 146.1 | -170.2 | -80.5 | -55 | 0 | 0 | 0 | 113 | E535 I539 N555 I562 | E535-H557 WeakPolarHBondContact OE1-CA 3.32Å; E535-H557 IonicContact OE1-CE1 2.61Å; E535-H557 IonicContact OE1-CG 2.7Å; E535-H557 IonicContact OE1-ND1 3.39Å; E535-H557 PolarHBondContact OE1-ND1 2.91Å; I539-H557 HydrophobicContact CD1-CB 4.5Å; N555-H557 VanDerWaalsContact C-N 3.31Å; H557-I562 HydrophobicContact CB-CD1 3.88Å; H557-I562 HydrophobicContact CB-CG1 4.36Å |
| 558 | D | 89.7 | Confident | 86.1 | Confident | 55 Ų | 55 | 41.9 Ų | 41.9 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | trans | -70 | 129.3 | 177.2 | 166.7 | 44.8 | 0 | 0 | 0 | 112.6 | G531 E535 D560 S561 I562 | G531-D558 WeakPolarHBondContact CA-OD2 3.45Å; E535-D558 PolarHBondContact OE1-N 2.75Å; D558-D560 PolarHBondContact O-N 2.84Å; D558-D560 PolarHBondContact OD1-N 2.83Å; D558-S561 WeakPolarHBondContact O-CB 3.3Å; D558-S561 PolarHBondContact O-N 2.89Å; D558-S561 VanDerWaalsContact O-N 3.15Å; D558-S561 VanDerWaalsContact OD2-CB 3.29Å; D558-S561 WeakPolarHBondContact OD2-CB 3.44Å; D558-S561 PolarHBondContact OD2-N 3.35Å; D558-S561 PolarHBondContact OD2-OG 2.95Å; D558-I562 WeakPolarHBondContact O-CG1 3.47Å; D558-I562 PolarHBondContact O-N 3.42Å | ||
| 559 | M | 93.5 | Very high | 86.4 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 5% | 0.054 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -40.2 | -178.7 | -71.7 | -65.5 | 157.7 | 0 | 0 | 112.6 | F515 H519 I526 N555 S561 I562 A563 | F515-M559 HydrophobicContact CD1-CE 4.08Å; F515-M559 HydrophobicContact CD1-SD 4.25Å; F515-M559 HydrophobicContact CE1-CE 3.54Å; F515-M559 HydrophobicContact CE1-SD 4.19Å; H519-M559 HydrophobicContact CB-CE 3.44Å; H519-M559 VanDerWaalsContact CB-CE 3.44Å; H519-M559 HydrophobicContact CB-SD 4.41Å; I526-M559 HydrophobicContact CD1-CB 4.13Å; N555-M559 WeakPolarHBondContact OD1-CE 3.47Å; M559-S561 PolarHBondContact O-N 3.1Å; M559-I562 PolarHBondContact O-N 2.64Å; M559-A563 WeakPolarHBondContact O-CB 2.97Å; M559-A563 PolarHBondContact O-N 2.98Å |
| 560 | D | 95.1 | Very high | 86.7 | Confident | 14 Ų | 14 | 41 Ų | 41 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.1 | -22.7 | 178.6 | -78.7 | -43.9 | 0 | 0 | 0 | 112.2 | H523 V529 G531 D558 G564 | H523-D560 IonicContact CE1-OD2 2.89Å; H523-D560 PolarHBondContact CE1-OD2 2.68Å; V529-D560 VanDerWaalsContact CB-OD2 3.28Å; V529-D560 WeakPolarHBondContact CB-OD2 3.48Å; V529-D560 HydrophobicContact CG1-CB 4.34Å; V529-D560 WeakPolarHBondContact CG1-OD2 3.16Å; G531-D560 PolarHBondContact N-O 3.22Å; D558-D560 PolarHBondContact O-N 2.84Å; D558-D560 PolarHBondContact OD1-N 2.83Å; D560-G564 WeakPolarHBondContact O-CA 3.46Å; D560-G564 PolarHBondContact O-N 3.08Å |
| 561 | S | 95.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.2 | -43 | 170.5 | -64.4 | 0 | 0 | 0 | 0 | 111.3 | G531 S532 V536 D558 M559 G564 V565 | G531-S561 WeakPolarHBondContact CA-OG 3.41Å; S532-S561 PolarHBondContact N-OG 3.38Å; V536-S561 WeakPolarHBondContact CG2-O 3.31Å; D558-S561 WeakPolarHBondContact O-CB 3.3Å; D558-S561 PolarHBondContact O-N 2.89Å; D558-S561 VanDerWaalsContact O-N 3.15Å; D558-S561 VanDerWaalsContact OD2-CB 3.29Å; D558-S561 WeakPolarHBondContact OD2-CB 3.44Å; D558-S561 PolarHBondContact OD2-N 3.35Å; D558-S561 PolarHBondContact OD2-OG 2.95Å; M559-S561 PolarHBondContact O-N 3.1Å; S561-G564 CarbonylContact O-C 3.49Å; S561-G564 WeakPolarHBondContact O-CA 3.43Å; S561-G564 PolarHBondContact O-N 3.06Å; S561-G564 VanDerWaalsContact O-N 3.12Å; S561-V565 WeakPolarHBondContact O-CG2 3.29Å; S561-V565 PolarHBondContact O-N 3.44Å |
| 562 | I | 94.5 | Very high | 87 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 173.8 | -62.4 | 170.9 | 0 | 0 | 0 | 111 | C512 F515 I516 I539 L550 H557 D558 M559 G564 V565 L566 | C512-I562 HydrophobicContact CB-CG2 4.05Å; F515-I562 HydrophobicContact CD1-CD1 3.34Å; F515-I562 HydrophobicContact CE1-CD1 3.34Å; F515-I562 HydrophobicContact CG-CD1 4.2Å; F515-I562 HydrophobicContact CZ-CD1 4.23Å; I516-I562 HydrophobicContact CD1-CG2 4.07Å; I516-I562 HydrophobicContact CG1-CG2 3.95Å; I539-I562 HydrophobicContact CD1-CG1 4.17Å; L550-I562 HydrophobicContact CD1-CD1 4.23Å; L550-I562 HydrophobicContact CD1-CG1 4.27Å; L550-I562 HydrophobicContact CD1-CG2 3.74Å; L550-I562 HydrophobicContact CD2-CD1 3.61Å; L550-I562 HydrophobicContact CD2-CG1 4.05Å; H557-I562 HydrophobicContact CB-CD1 3.88Å; H557-I562 HydrophobicContact CB-CG1 4.36Å; D558-I562 WeakPolarHBondContact O-CG1 3.47Å; D558-I562 PolarHBondContact O-N 3.42Å; M559-I562 PolarHBondContact O-N 2.64Å; I562-G564 VanDerWaalsContact C-N 3.26Å; I562-G564 PolarHBondContact O-N 3.15Å; I562-V565 PolarHBondContact O-N 3.4Å; I562-L566 PolarHBondContact O-N 3.08Å; I562-L566 VanDerWaalsContact O-N 3.08Å |
| 563 | A | 95.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.2 | -34.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I516 I526 F527 M559 K567 | I516-A563 HydrophobicContact CD1-CB 4.21Å; I526-A563 HydrophobicContact CD1-CB 3.7Å; I526-A563 HydrophobicContact CG1-CB 4.26Å; F527-A563 HydrophobicContact CD1-CB 3.59Å; F527-A563 HydrophobicContact CE1-CB 3.64Å; F527-A563 HydrophobicContact CG-CB 4.13Å; F527-A563 HydrophobicContact CZ-CB 4.22Å; M559-A563 WeakPolarHBondContact O-CB 2.97Å; M559-A563 PolarHBondContact O-N 2.98Å; A563-K567 WeakPolarHBondContact O-CE 3.25Å; A563-K567 WeakPolarHBondContact O-CG 3.44Å; A563-K567 PolarHBondContact O-N 3.17Å; A563-K567 VanDerWaalsContact O-N 3.14Å |
| 564 | G | 95.1 | Very high | 88.3 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D560 S561 I562 L566 K567 L568 | D560-G564 WeakPolarHBondContact O-CA 3.46Å; D560-G564 PolarHBondContact O-N 3.08Å; S561-G564 CarbonylContact O-C 3.49Å; S561-G564 WeakPolarHBondContact O-CA 3.43Å; S561-G564 PolarHBondContact O-N 3.06Å; S561-G564 VanDerWaalsContact O-N 3.12Å; I562-G564 VanDerWaalsContact C-N 3.26Å; I562-G564 PolarHBondContact O-N 3.15Å; G564-L566 PolarHBondContact O-N 3.36Å; G564-K567 PolarHBondContact O-N 3.01Å; G564-L568 VanDerWaalsContact O-CB 3.27Å; G564-L568 WeakPolarHBondContact O-CB 3.42Å; G564-L568 PolarHBondContact O-N 2.73Å |
| 565 | V | 95.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | M508 V536 I539 S561 I562 K567 L568 Y569 | M508-V565 HydrophobicContact CE-CG1 4.35Å; M508-V565 HydrophobicContact CG-CG1 3.92Å; M508-V565 HydrophobicContact SD-CG1 3.72Å; V536-V565 HydrophobicContact CB-CG2 4.36Å; V536-V565 HydrophobicContact CG1-CG2 4.05Å; V536-V565 WeakPolarHBondContact O-CG2 3.19Å; I539-V565 HydrophobicContact CB-CG2 3.92Å; I539-V565 HydrophobicContact CG2-CB 4.46Å; I539-V565 HydrophobicContact CG2-CG1 4.25Å; I539-V565 HydrophobicContact CG2-CG2 3.77Å; S561-V565 WeakPolarHBondContact O-CG2 3.29Å; S561-V565 PolarHBondContact O-N 3.44Å; I562-V565 PolarHBondContact O-N 3.4Å; V565-K567 PolarHBondContact O-N 3.35Å; V565-L568 PolarHBondContact O-N 2.75Å; V565-Y569 PolarHBondContact O-N 3.37Å |
| 566 | L | 95.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 179.3 | -173.5 | 62.6 | 0 | 0 | 0 | 112.2 | V509 C512 I513 F527 I562 G564 F570 F623 | V509-L566 HydrophobicContact CB-CD1 4.36Å; V509-L566 HydrophobicContact CG1-CD1 4.24Å; V509-L566 HydrophobicContact CG2-CD1 4.28Å; C512-L566 HydrophobicContact CB-CB 4.09Å; C512-L566 HydrophobicContact CB-CD1 4.18Å; C512-L566 HydrophobicContact CB-CD2 4.5Å; C512-L566 HydrophobicContact CB-CG 4.49Å; I513-L566 HydrophobicContact CD1-CD2 4.34Å; I513-L566 HydrophobicContact CG1-CD1 4.35Å; I513-L566 HydrophobicContact CG1-CD2 3.66Å; F527-L566 HydrophobicContact CE1-CB 4.28Å; F527-L566 HydrophobicContact CE1-CD2 3.96Å; F527-L566 HydrophobicContact CE1-CG 4.5Å; F527-L566 HydrophobicContact CZ-CD2 3.9Å; I562-L566 PolarHBondContact O-N 3.08Å; I562-L566 VanDerWaalsContact O-N 3.08Å; G564-L566 PolarHBondContact O-N 3.36Å; L566-F570 HydrophobicContact CD1-CD2 4.34Å; L566-F570 HydrophobicContact CD1-CE2 3.72Å; L566-F570 HydrophobicContact CG-CE2 4.18Å; L566-F570 VanDerWaalsContact O-CD2 3.28Å; L566-F570 WeakPolarHBondContact O-CD2 3.43Å; L566-F570 PolarHBondContact O-N 2.86Å; L566-F623 HydrophobicContact CD2-CE1 4.41Å |
| 567 | K | 94.9 | Very high | 90.3 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 14% | 0.139 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 171.6 | -74.9 | 179.5 | -68.4 | 179.6 | 0 | 111.5 | F527 V529 A563 G564 V565 Y569 F570 R571 F645 T648 | F527-K567 HydrophobicContact CB-CD 4.32Å; F527-K567 HydrophobicContact CD1-CD 4.09Å; F527-K567 HydrophobicContact CD1-CG 3.91Å; F527-K567 PolarHBondContact O-NZ 2.9Å; V529-K567 PolarHBondContact O-NZ 3.17Å; A563-K567 WeakPolarHBondContact O-CE 3.25Å; A563-K567 WeakPolarHBondContact O-CG 3.44Å; A563-K567 PolarHBondContact O-N 3.17Å; A563-K567 VanDerWaalsContact O-N 3.14Å; G564-K567 PolarHBondContact O-N 3.01Å; V565-K567 PolarHBondContact O-N 3.35Å; K567-Y569 VanDerWaalsContact C-N 3.33Å; K567-Y569 PolarHBondContact O-N 3.39Å; K567-F570 PolarHBondContact O-N 2.83Å; K567-R571 WeakPolarHBondContact O-CB 3.36Å; K567-R571 PolarHBondContact O-N 3.11Å; K567-R571 VanDerWaalsContact O-N 3.1Å; K567-F645 HydrophobicContact CG-CE1 4.47Å; K567-F645 HydrophobicContact CG-CZ 4.33Å; K567-T648 HydrophobicContact CB-CG2 4.39Å; K567-T648 VanDerWaalsContact O-CG2 3.31Å; K567-T648 WeakPolarHBondContact O-CG2 3.37Å |
| 568 | L | 91.8 | Very high | 90.6 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 31% | 0.309 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.8 | -37.1 | -178.2 | -177.2 | 58.4 | 0 | 0 | 0 | 112 | V536 K540 G564 V565 R571 G572 | V536-L568 HydrophobicContact CG1-CD2 3.74Å; K540-L568 HydrophobicContact CD-CD2 3.85Å; G564-L568 VanDerWaalsContact O-CB 3.27Å; G564-L568 WeakPolarHBondContact O-CB 3.42Å; G564-L568 PolarHBondContact O-N 2.73Å; V565-L568 PolarHBondContact O-N 2.75Å; L568-R571 PolarHBondContact O-N 3.18Å; L568-G572 PolarHBondContact O-N 3.03Å |
| 569 | Y | 92.9 | Very high | 90.5 | Very high | 61 Ų | 61 | 46.9 Ų | 46.9 | 24% | 0.239 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.4 | -55.4 | 174.9 | -177.1 | -100.5 | 0 | 0 | 0 | 112 | P506 M508 V509 V565 K567 R571 G572 L573 | P506-Y569 HydrophobicContact CB-CE1 4.39Å; P506-Y569 WeakPolarHBondContact CB-OH 3.31Å; P506-Y569 HydrophobicContact CG-CE1 4.08Å; P506-Y569 WeakPolarHBondContact CG-OH 3.5Å; M508-Y569 HydrophobicContact CE-CD2 4.5Å; M508-Y569 HydrophobicContact CG-CD2 4.45Å; M508-Y569 HydrophobicContact SD-CD2 3.45Å; M508-Y569 WeakPolarHBondContact SD-CD2 3.22Å; M508-Y569 HydrophobicContact SD-CE2 4.42Å; M508-Y569 HydrophobicContact SD-CG 3.88Å; V509-Y569 HydrophobicContact CG2-CD1 3.34Å; V509-Y569 HydrophobicContact CG2-CE1 3.37Å; V509-Y569 HydrophobicContact CG2-CG 4.19Å; V565-Y569 PolarHBondContact O-N 3.37Å; K567-Y569 VanDerWaalsContact C-N 3.33Å; K567-Y569 PolarHBondContact O-N 3.39Å; Y569-R571 VanDerWaalsContact C-N 3.34Å; Y569-R571 PolarHBondContact O-N 3.43Å; Y569-G572 PolarHBondContact O-N 3.28Å; Y569-G572 VanDerWaalsContact O-N 3.09Å; Y569-L573 HydrophobicContact CD1-CD2 4.37Å; Y569-L573 HydrophobicContact CE1-CD2 3.74Å; Y569-L573 HydrophobicContact CE2-CD2 4.38Å; Y569-L573 PolarHBondContact O-N 2.82Å |
| 570 | F | 92.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 1% | 0.013 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -36 | -178.3 | -72.8 | -67.9 | 0 | 0 | 0 | 112.8 | V509 L566 K567 G572 L573 L577 I616 L620 T648 L649 | V509-F570 HydrophobicContact CG1-CE2 4.44Å; V509-F570 HydrophobicContact CG1-CZ 3.96Å; V509-F570 HydrophobicContact CG2-CE1 4.5Å; V509-F570 HydrophobicContact CG2-CE2 4.31Å; V509-F570 HydrophobicContact CG2-CZ 3.9Å; L566-F570 HydrophobicContact CD1-CD2 4.34Å; L566-F570 HydrophobicContact CD1-CE2 3.72Å; L566-F570 HydrophobicContact CG-CE2 4.18Å; L566-F570 VanDerWaalsContact O-CD2 3.28Å; L566-F570 WeakPolarHBondContact O-CD2 3.43Å; L566-F570 PolarHBondContact O-N 2.86Å; K567-F570 PolarHBondContact O-N 2.83Å; F570-G572 VanDerWaalsContact C-N 3.28Å; F570-G572 PolarHBondContact O-N 3Å; F570-L573 HydrophobicContact CD1-CD1 4.05Å; F570-L577 HydrophobicContact CD1-CD1 4.44Å; F570-L577 HydrophobicContact CD1-CD2 4.16Å; F570-L577 HydrophobicContact CE1-CD1 4.24Å; F570-L577 HydrophobicContact CE1-CD2 4.11Å; F570-I616 HydrophobicContact CE1-CG2 3.76Å; F570-I616 HydrophobicContact CZ-CG2 4.13Å; F570-L620 HydrophobicContact CD2-CD2 4.34Å; F570-L620 HydrophobicContact CE1-CD2 4.23Å; F570-L620 HydrophobicContact CE2-CD1 3.89Å; F570-L620 HydrophobicContact CE2-CD2 3.88Å; F570-L620 HydrophobicContact CE2-CG 4.44Å; F570-L620 HydrophobicContact CZ-CB 4.5Å; F570-L620 HydrophobicContact CZ-CD1 4.26Å; F570-L620 HydrophobicContact CZ-CD2 3.83Å; F570-L620 HydrophobicContact CZ-CG 4.42Å; F570-T648 HydrophobicContact CB-CG2 4.03Å; F570-L649 HydrophobicContact CB-CD2 3.76Å; F570-L649 HydrophobicContact CD1-CD2 4.17Å; F570-L649 HydrophobicContact CD2-CD2 4.41Å; F570-L649 HydrophobicContact CG-CD2 3.87Å |
| 571 | R | 91.4 | Very high | 89.7 | Confident | 199 Ų | 199 | 58.8 Ų | 58.8 | 75% | 0.751 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -65.5 | -28.8 | 173 | -176.7 | 176.2 | 174.6 | -176 | -1.8 | 112.9 | K567 L568 Y569 T648 | K567-R571 WeakPolarHBondContact O-CB 3.36Å; K567-R571 PolarHBondContact O-N 3.11Å; K567-R571 VanDerWaalsContact O-N 3.1Å; L568-R571 PolarHBondContact O-N 3.18Å; Y569-R571 VanDerWaalsContact C-N 3.34Å; Y569-R571 PolarHBondContact O-N 3.43Å; R571-T648 HydrophobicContact CB-CG2 4.36Å |
| 572 | G | 84.3 | Confident | 89.4 | Confident | 62 Ų | 62 | 59.8 Ų | 59.8 | 64% | 0.639 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 0.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | L568 Y569 F570 | L568-G572 PolarHBondContact O-N 3.03Å; Y569-G572 PolarHBondContact O-N 3.28Å; Y569-G572 VanDerWaalsContact O-N 3.09Å; F570-G572 VanDerWaalsContact C-N 3.28Å; F570-G572 PolarHBondContact O-N 3Å |
| 573 | L | 85 | Confident | 89.2 | Confident | 51 Ų | 51 | 60 Ų | 60 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | trans | -66.9 | 133 | -175.2 | -64.7 | 175.1 | 0 | 0 | 0 | 113 | Y569 F570 R575 | Y569-L573 HydrophobicContact CD1-CD2 4.37Å; Y569-L573 HydrophobicContact CE1-CD2 3.74Å; Y569-L573 HydrophobicContact CE2-CD2 4.38Å; Y569-L573 PolarHBondContact O-N 2.82Å; F570-L573 HydrophobicContact CD1-CD1 4.05Å; L573-R575 WeakPolarHBondContact CB-O 3.31Å; L573-R575 PolarHBondContact O-N 2.83Å | ||
| 574 | E | 77.6 | Confident | 88.9 | Confident | 173 Ų | 173 | 65 Ų | 65 | 81% | 0.808 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -51.8 | -24 | 170.1 | -73.3 | -178.1 | -179.4 | 0 | 0 | 112.6 | K498 | K498-E574 IonicContact NZ-OE1 2.75Å; K498-E574 PolarHBondContact NZ-OE1 2.82Å; K498-E574 IonicContact NZ-OE2 2.74Å; K498-E574 PolarHBondContact NZ-OE2 3.31Å; K498-E574 VanDerWaalsContact NZ-OE2 3.1Å |
| 575 | R | 78.4 | Confident | 88.6 | Confident | 215 Ų | 215 | 69 Ų | 69 | 81% | 0.811 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -134.8 | 114 | 169.4 | -64.7 | -179.4 | 178.5 | -172.9 | -3.1 | 108.3 | L573 | L573-R575 WeakPolarHBondContact CB-O 3.31Å; L573-R575 PolarHBondContact O-N 2.83Å |
| 576 | A | 85.1 | Confident | 88.4 | Confident | 44 Ų | 44 | 68.9 Ų | 68.9 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | trans | -53 | 147.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F578 | A576-F578 CarbonylContact O-C 3.56Å; A576-F578 PolarHBondContact O-N 3.48Å | ||
| 577 | L | 88 | Confident | 88.2 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -58.1 | -40.3 | -174.4 | -166.8 | 70.4 | 0 | 0 | 0 | 111.3 | F570 P579 T613 I616 M617 L620 L649 | F570-L577 HydrophobicContact CD1-CD1 4.44Å; F570-L577 HydrophobicContact CD1-CD2 4.16Å; F570-L577 HydrophobicContact CE1-CD1 4.24Å; F570-L577 HydrophobicContact CE1-CD2 4.11Å; L577-P579 WeakPolarHBondContact O-CD 3.47Å; L577-T613 HydrophobicContact CD1-CG2 4.12Å; L577-I616 HydrophobicContact CD1-CB 4.47Å; L577-I616 HydrophobicContact CD1-CG2 3.96Å; L577-M617 HydrophobicContact CD1-CG 4.19Å; L577-M617 HydrophobicContact CD2-CG 3.93Å; L577-M617 HydrophobicContact CG-CE 4Å; L577-M617 HydrophobicContact CG-CG 3.92Å; L577-M617 WeakPolarHBondContact O-CE 3.42Å; L577-L620 HydrophobicContact CD2-CD2 3.99Å; L577-L649 HydrophobicContact CB-CD2 4.35Å; L577-L649 HydrophobicContact CD2-CD2 3.86Å |
| 578 | F | 91.3 | Very high | 87.9 | Confident | 5 Ų | 5 | 72.1 Ų | 72.1 | 2% | 0.022 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -99.2 | 111.2 | 163.6 | -62.4 | -95.6 | 0 | 0 | 0 | 109.6 | A576 L586 L606 M617 F621 L649 M650 I669 I672 | A576-F578 CarbonylContact O-C 3.56Å; A576-F578 PolarHBondContact O-N 3.48Å; F578-L586 HydrophobicContact CD1-CD1 3.67Å; F578-L586 HydrophobicContact CE1-CD1 4.24Å; F578-L606 HydrophobicContact CD1-CD2 3.92Å; F578-L606 HydrophobicContact CE1-CD1 4.29Å; F578-L606 HydrophobicContact CE1-CD2 3.75Å; F578-M617 HydrophobicContact CD1-CE 3.7Å; F578-M617 HydrophobicContact CD2-CE 4.14Å; F578-M617 HydrophobicContact CE1-CE 3.67Å; F578-M617 HydrophobicContact CE1-SD 4.45Å; F578-M617 HydrophobicContact CE2-CE 4.1Å; F578-M617 HydrophobicContact CG-CE 3.96Å; F578-M617 HydrophobicContact CZ-CE 3.87Å; F578-F621 HydrophobicContact CE2-CE2 4.11Å; F578-F621 HydrophobicContact CE2-CZ 4.06Å; F578-F621 AromaticContact CZ-CE2 3.84Å; F578-F621 HydrophobicContact CZ-CE2 3.84Å; F578-F621 AromaticContact CZ-CZ 3.92Å; F578-F621 HydrophobicContact CZ-CZ 3.92Å; F578-L649 HydrophobicContact CD2-CB 3.87Å; F578-L649 HydrophobicContact CE2-CB 3.92Å; F578-L649 HydrophobicContact CE2-CD1 4.18Å; F578-L649 PolarHBondContact N-O 3.2Å; F578-M650 HydrophobicContact CB-CB 4.28Å; F578-M650 HydrophobicContact CB-CE 3.6Å; F578-M650 HydrophobicContact CB-CG 4.46Å; F578-M650 HydrophobicContact CD1-CE 3.71Å; F578-M650 HydrophobicContact CD2-CB 4.49Å; F578-M650 HydrophobicContact CD2-CE 4.42Å; F578-M650 HydrophobicContact CE1-CE 4.48Å; F578-M650 HydrophobicContact CG-CE 3.66Å; F578-I669 HydrophobicContact CE2-CD1 3.82Å; F578-I669 HydrophobicContact CZ-CD1 3.91Å; F578-I672 HydrophobicContact CE1-CD1 3.82Å; F578-I672 HydrophobicContact CZ-CD1 3.74Å |
| 579 | P | 87.7 | Confident | 87.8 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 24% | 0.24 | 35% | 0.345 | C | S | . | . | trans | -64.2 | 152.1 | 177.8 | -22.9 | 34.6 | 0 | 0 | 0 | 112.8 | L577 E581 V582 L609 | L577-P579 WeakPolarHBondContact O-CD 3.47Å; P579-E581 WeakPolarHBondContact CB-OE2 3.23Å; P579-E581 PolarHBondContact O-N 3.3Å; P579-E581 VanDerWaalsContact O-N 3.15Å; P579-V582 VanDerWaalsContact O-CG2 3.23Å; P579-V582 WeakPolarHBondContact O-CG2 3.31Å; P579-V582 PolarHBondContact O-N 3.3Å; P579-L609 HydrophobicContact CG-CD2 3.85Å | ||
| 580 | K | 84.4 | Confident | 87.6 | Confident | 120 Ų | 120 | 67.5 Ų | 67.5 | 52% | 0.522 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -60.9 | -27 | -179 | -69.3 | -171.1 | 176.3 | -173.2 | 0 | 112.1 | V582 F583 E654 | K580-V582 VanDerWaalsContact C-N 3.32Å; K580-V582 PolarHBondContact O-N 3.29Å; K580-F583 VanDerWaalsContact O-CB 3.27Å; K580-F583 WeakPolarHBondContact O-CB 3.42Å; K580-F583 PolarHBondContact O-N 2.96Å; K580-E654 IonicContact NZ-OE1 2.66Å |
| 581 | E | 86.9 | Confident | 87.2 | Confident | 155 Ų | 155 | 72.1 Ų | 72.1 | 72% | 0.724 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -64.6 | -30.6 | -178.5 | -62.5 | 73.9 | -165.7 | 0 | 0 | 113.3 | P579 | P579-E581 WeakPolarHBondContact CB-OE2 3.23Å; P579-E581 PolarHBondContact O-N 3.3Å; P579-E581 VanDerWaalsContact O-N 3.15Å |
| 582 | V | 89.3 | Confident | 87.1 | Confident | 20 Ų | 20 | 64.9 Ų | 64.9 | 12% | 0.121 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -94.8 | -0.1 | 178.7 | -64.9 | 0 | 0 | 0 | 0 | 113.5 | P579 K580 H584 D585 L586 V605 L609 | P579-V582 VanDerWaalsContact O-CG2 3.23Å; P579-V582 WeakPolarHBondContact O-CG2 3.31Å; P579-V582 PolarHBondContact O-N 3.3Å; K580-V582 VanDerWaalsContact C-N 3.32Å; K580-V582 PolarHBondContact O-N 3.29Å; V582-H584 PolarHBondContact O-N 3.06Å; V582-D585 PolarHBondContact O-N 3.15Å; V582-L586 HydrophobicContact CB-CD1 4.14Å; V582-L586 HydrophobicContact CB-CG 4.44Å; V582-L586 HydrophobicContact CG2-CD1 3.76Å; V582-L586 WeakPolarHBondContact O-CB 3.13Å; V582-L586 VanDerWaalsContact O-CG 3.32Å; V582-L586 WeakPolarHBondContact O-CG 3.35Å; V582-L586 PolarHBondContact O-N 3.26Å; V582-V605 HydrophobicContact CB-CG1 3.94Å; V582-V605 HydrophobicContact CG1-CG1 4.04Å; V582-L609 HydrophobicContact CG1-CD2 4.21Å |
| 583 | F | 89.4 | Confident | 87 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.6 | -51.4 | -174.2 | -178.5 | -93.7 | 0 | 0 | 0 | 112.7 | K580 D585 L586 I587 M650 V652 P653 C661 V665 | K580-F583 VanDerWaalsContact O-CB 3.27Å; K580-F583 WeakPolarHBondContact O-CB 3.42Å; K580-F583 PolarHBondContact O-N 2.96Å; F583-D585 PolarHBondContact O-N 2.89Å; F583-L586 PolarHBondContact O-N 3.41Å; F583-I587 HydrophobicContact CD1-CG1 4.18Å; F583-I587 HydrophobicContact CD2-CG1 4.33Å; F583-I587 HydrophobicContact CE1-CG1 3.85Å; F583-I587 HydrophobicContact CE2-CD1 4.26Å; F583-I587 HydrophobicContact CE2-CG1 4Å; F583-I587 HydrophobicContact CG-CG1 4.41Å; F583-I587 HydrophobicContact CZ-CD1 4.16Å; F583-I587 HydrophobicContact CZ-CG1 3.75Å; F583-I587 WeakPolarHBondContact O-CB 3.4Å; F583-I587 VanDerWaalsContact O-CG1 3.26Å; F583-I587 WeakPolarHBondContact O-CG1 3.39Å; F583-I587 PolarHBondContact O-N 3.05Å; F583-M650 HydrophobicContact CD2-CG 3.72Å; F583-M650 HydrophobicContact CD2-SD 3.57Å; F583-M650 VanDerWaalsContact CD2-SD 3.57Å; F583-M650 HydrophobicContact CE2-CG 3.95Å; F583-M650 HydrophobicContact CE2-SD 3.79Å; F583-V652 HydrophobicContact CZ-CB 4.42Å; F583-V652 HydrophobicContact CZ-CG1 4.19Å; F583-V652 HydrophobicContact CZ-CG2 4.34Å; F583-P653 HydrophobicContact CB-CG 4.2Å; F583-P653 VanDerWaalsContact CD1-CD 3.46Å; F583-P653 HydrophobicContact CD1-CG 3.64Å; F583-P653 HydrophobicContact CD2-CG 4.26Å; F583-P653 HydrophobicContact CE1-CG 4.04Å; F583-P653 HydrophobicContact CG-CG 3.77Å; F583-P653 VanDerWaalsContact CZ-CD 3.47Å; F583-C661 HydrophobicContact CZ-CB 4.49Å; F583-V665 HydrophobicContact CE2-CG2 3.99Å; F583-V665 HydrophobicContact CZ-CG2 4.46Å |
| 584 | H | 88.9 | Confident | 87.1 | Confident | 106 Ų | 106 | 71 Ų | 71 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | -176.9 | -63.6 | -62.6 | 0 | 0 | 0 | 112.6 | V582 S588 H656 | V582-H584 PolarHBondContact O-N 3.06Å; H584-S588 WeakPolarHBondContact O-CB 3.49Å; H584-S588 PolarHBondContact O-N 3.36Å; H584-H656 AromaticContact CE1-NE2 3.48Å; H584-H656 PolarHBondContact CE1-NE2 3.38Å |
| 585 | D | 90.1 | Very high | 87.4 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 178 | -69.7 | -10.3 | 0 | 0 | 0 | 110.8 | V582 F583 S588 C589 V605 | V582-D585 PolarHBondContact O-N 3.15Å; F583-D585 PolarHBondContact O-N 2.89Å; D585-S588 PolarHBondContact O-N 3.25Å; D585-S588 PolarHBondContact O-OG 2.8Å; D585-C589 PolarHBondContact O-N 3.47Å; D585-C589 PolarHBondContact O-SG 3.4Å; D585-C589 VanDerWaalsContact O-SG 3.37Å; D585-V605 HydrophobicContact CB-CG1 3.93Å; D585-V605 HydrophobicContact CB-CG2 3.94Å |
| 586 | L | 91.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 179.1 | -69.2 | 172.4 | 0 | 0 | 0 | 113.1 | F578 V582 F583 S588 C589 I602 V605 L606 M650 L668 | F578-L586 HydrophobicContact CD1-CD1 3.67Å; F578-L586 HydrophobicContact CE1-CD1 4.24Å; V582-L586 HydrophobicContact CB-CD1 4.14Å; V582-L586 HydrophobicContact CB-CG 4.44Å; V582-L586 HydrophobicContact CG2-CD1 3.76Å; V582-L586 WeakPolarHBondContact O-CB 3.13Å; V582-L586 VanDerWaalsContact O-CG 3.32Å; V582-L586 WeakPolarHBondContact O-CG 3.35Å; V582-L586 PolarHBondContact O-N 3.26Å; F583-L586 PolarHBondContact O-N 3.41Å; L586-S588 VanDerWaalsContact C-N 3.3Å; L586-S588 PolarHBondContact O-N 3.42Å; L586-C589 WeakPolarHBondContact O-CB 3.49Å; L586-C589 PolarHBondContact O-N 3.25Å; L586-I602 HydrophobicContact CD2-CG1 4.43Å; L586-I602 HydrophobicContact CD2-CG2 4.12Å; L586-V605 HydrophobicContact CD2-CB 3.84Å; L586-V605 HydrophobicContact CD2-CG1 3.74Å; L586-V605 HydrophobicContact CG-CB 4.45Å; L586-V605 HydrophobicContact CG-CG1 3.82Å; L586-L606 HydrophobicContact CD1-CD2 4.01Å; L586-L606 HydrophobicContact CD2-CD2 4.07Å; L586-L606 HydrophobicContact CD2-CG 4.33Å; L586-M650 HydrophobicContact CB-CE 4.38Å; L586-M650 HydrophobicContact CD1-CE 3.59Å; L586-L668 HydrophobicContact CB-CD1 4.38Å; L586-L668 HydrophobicContact CB-CD2 3.77Å |
| 587 | I | 90.3 | Very high | 87.9 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 14% | 0.138 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67 | -33.2 | 175.9 | -66.3 | -67.4 | 0 | 0 | 0 | 111 | F583 C589 V590 H664 V665 | F583-I587 HydrophobicContact CD1-CG1 4.18Å; F583-I587 HydrophobicContact CD2-CG1 4.33Å; F583-I587 HydrophobicContact CE1-CG1 3.85Å; F583-I587 HydrophobicContact CE2-CD1 4.26Å; F583-I587 HydrophobicContact CE2-CG1 4Å; F583-I587 HydrophobicContact CG-CG1 4.41Å; F583-I587 HydrophobicContact CZ-CD1 4.16Å; F583-I587 HydrophobicContact CZ-CG1 3.75Å; F583-I587 WeakPolarHBondContact O-CB 3.4Å; F583-I587 VanDerWaalsContact O-CG1 3.26Å; F583-I587 WeakPolarHBondContact O-CG1 3.39Å; F583-I587 PolarHBondContact O-N 3.05Å; I587-C589 PolarHBondContact O-N 3.01Å; I587-V590 WeakPolarHBondContact O-CB 3.38Å; I587-V590 PolarHBondContact O-N 3.27Å; I587-V590 VanDerWaalsContact O-N 3.09Å; I587-H664 HydrophobicContact CD1-CB 3.88Å; I587-H664 HydrophobicContact CG2-CB 4.24Å; I587-V665 HydrophobicContact CD1-CG2 3.85Å |
| 588 | S | 88.6 | Confident | 88.1 | Confident | 73 Ų | 73 | 64.6 Ų | 64.6 | 51% | 0.51 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.3 | -31.1 | 175.7 | 82 | 0 | 0 | 0 | 0 | 113.1 | H584 D585 L586 V590 S591 | H584-S588 WeakPolarHBondContact O-CB 3.49Å; H584-S588 PolarHBondContact O-N 3.36Å; D585-S588 PolarHBondContact O-N 3.25Å; D585-S588 PolarHBondContact O-OG 2.8Å; L586-S588 VanDerWaalsContact C-N 3.3Å; L586-S588 PolarHBondContact O-N 3.42Å; S588-V590 PolarHBondContact O-N 2.98Å; S588-S591 PolarHBondContact O-N 3.06Å |
| 589 | C | 89.9 | Confident | 88 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.034 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.5 | -27.6 | 176.1 | -59.7 | 0 | 0 | 0 | 0 | 112.7 | D585 L586 I587 S591 M592 R598 I602 | D585-C589 PolarHBondContact O-N 3.47Å; D585-C589 PolarHBondContact O-SG 3.4Å; D585-C589 VanDerWaalsContact O-SG 3.37Å; L586-C589 WeakPolarHBondContact O-CB 3.49Å; L586-C589 PolarHBondContact O-N 3.25Å; I587-C589 PolarHBondContact O-N 3.01Å; C589-S591 PolarHBondContact O-N 2.89Å; C589-M592 VanDerWaalsContact O-CB 3.32Å; C589-M592 WeakPolarHBondContact O-CB 3.39Å; C589-M592 WeakPolarHBondContact O-CG 3.3Å; C589-M592 PolarHBondContact O-N 3.31Å; C589-R598 HydrophobicContact CB-CG 4.11Å; C589-R598 WeakPolarHBondContact O-CG 3.35Å; C589-R598 PolarHBondContact O-NE 2.98Å; C589-I602 HydrophobicContact CB-CG1 4.09Å |
| 590 | V | 88.4 | Confident | 88.2 | Confident | 17 Ų | 17 | 66.4 Ų | 66.4 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.6 | -27.5 | -177.9 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | I587 S588 M592 R598 H664 E667 L668 | I587-V590 WeakPolarHBondContact O-CB 3.38Å; I587-V590 PolarHBondContact O-N 3.27Å; I587-V590 VanDerWaalsContact O-N 3.09Å; S588-V590 PolarHBondContact O-N 2.98Å; V590-M592 PolarHBondContact O-N 3.07Å; V590-R598 PolarHBondContact O-NH2 3.19Å; V590-H664 HydrophobicContact CG1-CB 4.37Å; V590-H664 HydrophobicContact CG2-CB 4.43Å; V590-E667 HydrophobicContact CG1-CB 4.22Å; V590-E667 HydrophobicContact CG1-CG 3.94Å; V590-L668 HydrophobicContact CG2-CB 3.95Å |
| 591 | S | 85.1 | Confident | 88.5 | Confident | 101 Ų | 101 | 64.5 Ų | 64.5 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -2.4 | 174.5 | -54.9 | 0 | 0 | 0 | 0 | 114.6 | S588 C589 | S588-S591 PolarHBondContact O-N 3.06Å; C589-S591 PolarHBondContact O-N 2.89Å |
| 592 | M | 88.3 | Confident | 88.8 | Confident | 46 Ų | 46 | 57.1 Ų | 57.1 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | trans | -83.5 | 129.4 | 174.6 | -57.2 | -172.9 | 76.9 | 0 | 0 | 111.1 | C589 V590 E597 R598 H601 | C589-M592 VanDerWaalsContact O-CB 3.32Å; C589-M592 WeakPolarHBondContact O-CB 3.39Å; C589-M592 WeakPolarHBondContact O-CG 3.3Å; C589-M592 PolarHBondContact O-N 3.31Å; V590-M592 PolarHBondContact O-N 3.07Å; M592-E597 HydrophobicContact CE-CB 3.71Å; M592-R598 HydrophobicContact CB-CB 4.26Å; M592-R598 PolarHBondContact O-NE 2.66Å; M592-R598 PolarHBondContact O-NH2 2.93Å; M592-H601 HydrophobicContact SD-CB 4.16Å | ||
| 593 | E | 82.1 | Confident | 89 | Confident | 196 Ų | 196 | 58.9 Ų | 58.9 | 92% | 0.916 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -71.8 | -34.5 | -179.9 | -61.7 | -178.7 | 172.4 | 0 | 0 | 112.8 | ||
| 594 | S | 88.5 | Confident | 89.2 | Confident | 45 Ų | 45 | 65.8 Ų | 65.8 | 32% | 0.315 | 34% | 0.339 | S | S | . | . | trans | -85 | 112.5 | 179.2 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | Q596 E597 R598 | S594-Q596 PolarHBondContact O-N 2.93Å; S594-E597 PolarHBondContact O-N 3.09Å; S594-E597 WeakPolarHBondContact OG-CG 3.42Å; S594-E597 PolarHBondContact OG-N 3.11Å; S594-R598 WeakPolarHBondContact O-CB 3.46Å; S594-R598 PolarHBondContact O-N 3.46Å | ||
| 595 | L | 84.4 | Confident | 89.3 | Confident | 74 Ų | 74 | 62.1 Ų | 62.1 | 39% | 0.387 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.6 | -35.5 | 176.6 | -66.7 | 178.3 | 0 | 0 | 0 | 112.7 | R598 A599 | L595-R598 WeakPolarHBondContact O-CB 3.2Å; L595-R598 PolarHBondContact O-N 2.86Å; L595-A599 WeakPolarHBondContact O-CB 3.45Å; L595-A599 PolarHBondContact O-N 3.27Å |
| 596 | Q | 85.1 | Confident | 89.4 | Confident | 105 Ų | 105 | 57.8 Ų | 57.8 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.3 | -38.7 | 179.3 | -168.7 | 66 | 18.4 | 0 | 0 | 111.9 | S594 A599 V600 | S594-Q596 PolarHBondContact O-N 2.93Å; Q596-A599 PolarHBondContact O-N 3.24Å; Q596-V600 WeakPolarHBondContact O-CG2 3.46Å; Q596-V600 PolarHBondContact O-N 3.05Å; Q596-V600 VanDerWaalsContact O-N 3.12Å |
| 597 | E | 87.2 | Confident | 89.2 | Confident | 110 Ų | 110 | 63.4 Ų | 63.4 | 51% | 0.514 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.4 | -36.7 | 174.5 | -66.8 | 173.6 | -162 | 0 | 0 | 111.7 | M592 S594 V600 H601 | M592-E597 HydrophobicContact CE-CB 3.71Å; S594-E597 PolarHBondContact O-N 3.09Å; S594-E597 WeakPolarHBondContact OG-CG 3.42Å; S594-E597 PolarHBondContact OG-N 3.11Å; E597-V600 PolarHBondContact O-N 3.39Å; E597-H601 PolarHBondContact O-N 3.4Å; E597-H601 PolarHBondContact O-ND1 2.66Å |
| 598 | R | 92.4 | Very high | 89 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.8 | -48.3 | 171.2 | -174.9 | -171.9 | -63.4 | 171.3 | 1.4 | 110.6 | C589 V590 M592 S594 L595 V600 H601 I602 E667 T671 | C589-R598 HydrophobicContact CB-CG 4.11Å; C589-R598 WeakPolarHBondContact O-CG 3.35Å; C589-R598 PolarHBondContact O-NE 2.98Å; V590-R598 PolarHBondContact O-NH2 3.19Å; M592-R598 HydrophobicContact CB-CB 4.26Å; M592-R598 PolarHBondContact O-NE 2.66Å; M592-R598 PolarHBondContact O-NH2 2.93Å; S594-R598 WeakPolarHBondContact O-CB 3.46Å; S594-R598 PolarHBondContact O-N 3.46Å; L595-R598 WeakPolarHBondContact O-CB 3.2Å; L595-R598 PolarHBondContact O-N 2.86Å; R598-V600 PolarHBondContact O-N 3.06Å; R598-H601 PolarHBondContact O-N 3.25Å; R598-I602 HydrophobicContact CG-CD1 3.87Å; R598-I602 VanDerWaalsContact O-CG1 3.27Å; R598-I602 WeakPolarHBondContact O-CG1 3.48Å; R598-I602 PolarHBondContact O-N 2.88Å; R598-E667 IonicContact CZ-OE1 2.81Å; R598-E667 IonicContact NH1-OE1 2.73Å; R598-E667 PolarHBondContact NH1-OE1 3.37Å; R598-E667 IonicContact NH2-OE1 3.1Å; R598-T671 WeakPolarHBondContact CD-OG1 3.44Å; R598-T671 HydrophobicContact CG-CG2 4.1Å; R598-T671 PolarHBondContact NH1-OG1 2.87Å; R598-T671 VanDerWaalsContact NH1-OG1 3.11Å |
| 599 | A | 90.6 | Very high | 89 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L595 Q596 H601 I602 R603 H675 I679 | L595-A599 WeakPolarHBondContact O-CB 3.45Å; L595-A599 PolarHBondContact O-N 3.27Å; Q596-A599 PolarHBondContact O-N 3.24Å; A599-H601 PolarHBondContact O-N 3.44Å; A599-I602 PolarHBondContact O-N 3.11Å; A599-R603 WeakPolarHBondContact O-CB 3.47Å; A599-R603 PolarHBondContact O-N 3.03Å; A599-H675 HydrophobicContact CB-CB 4Å; A599-I679 HydrophobicContact CB-CD1 4.04Å; A599-I679 HydrophobicContact CB-CG1 3.84Å |
| 600 | V | 90.8 | Very high | 89 | Confident | 79 Ų | 79 | 66.3 Ų | 66.3 | 48% | 0.479 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 175.5 | 170.1 | 0 | 0 | 0 | 0 | 112.2 | Q596 E597 R598 K604 | Q596-V600 WeakPolarHBondContact O-CG2 3.46Å; Q596-V600 PolarHBondContact O-N 3.05Å; Q596-V600 VanDerWaalsContact O-N 3.12Å; E597-V600 PolarHBondContact O-N 3.39Å; R598-V600 PolarHBondContact O-N 3.06Å; V600-K604 PolarHBondContact O-N 3.16Å; V600-K604 VanDerWaalsContact O-N 3.14Å |
| 601 | H | 90.8 | Very high | 88.9 | Confident | 80 Ų | 80 | 69.1 Ų | 69.1 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71 | -40.6 | 175.8 | -75.3 | 78.7 | 0 | 0 | 0 | 112.2 | M592 E597 R598 A599 R603 K604 V605 | M592-H601 HydrophobicContact SD-CB 4.16Å; E597-H601 PolarHBondContact O-N 3.4Å; E597-H601 PolarHBondContact O-ND1 2.66Å; R598-H601 PolarHBondContact O-N 3.25Å; A599-H601 PolarHBondContact O-N 3.44Å; H601-R603 PolarHBondContact O-N 2.67Å; H601-K604 WeakPolarHBondContact O-CB 3.48Å; H601-K604 PolarHBondContact O-N 3.41Å; H601-V605 WeakPolarHBondContact O-CG2 3.33Å; H601-V605 PolarHBondContact O-N 2.97Å |
| 602 | I | 94.2 | Very high | 89 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 172.8 | -66.5 | 162.7 | 0 | 0 | 0 | 110.5 | L586 C589 R598 A599 K604 V605 L606 L668 T671 I672 I679 | L586-I602 HydrophobicContact CD2-CG1 4.43Å; L586-I602 HydrophobicContact CD2-CG2 4.12Å; C589-I602 HydrophobicContact CB-CG1 4.09Å; R598-I602 HydrophobicContact CG-CD1 3.87Å; R598-I602 VanDerWaalsContact O-CG1 3.27Å; R598-I602 WeakPolarHBondContact O-CG1 3.48Å; R598-I602 PolarHBondContact O-N 2.88Å; A599-I602 PolarHBondContact O-N 3.11Å; I602-K604 VanDerWaalsContact C-N 3.28Å; I602-K604 PolarHBondContact O-N 3.35Å; I602-V605 PolarHBondContact O-N 3.49Å; I602-V605 VanDerWaalsContact O-N 3.15Å; I602-L606 HydrophobicContact CG2-CD1 3.64Å; I602-L606 HydrophobicContact CG2-CG 4.02Å; I602-L606 WeakPolarHBondContact O-CG 3.41Å; I602-L606 PolarHBondContact O-N 3.37Å; I602-L668 HydrophobicContact CD1-CD1 3.57Å; I602-L668 HydrophobicContact CG1-CD1 3.86Å; I602-T671 HydrophobicContact CD1-CG2 3.83Å; I602-I672 HydrophobicContact CD1-CG1 4.36Å; I602-I672 HydrophobicContact CG2-CD1 4.09Å; I602-I672 HydrophobicContact CG2-CG1 4.01Å; I602-I679 HydrophobicContact CG2-CD1 4.28Å; I602-I679 HydrophobicContact CG2-CG2 3.94Å |
| 603 | R | 93.2 | Very high | 89.1 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 22% | 0.219 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -50.7 | -48.2 | 173.7 | 175.8 | 178 | -72 | -89.9 | 9.7 | 111.4 | A599 H601 V605 L606 Q607 D677 S678 I679 F680 | A599-R603 WeakPolarHBondContact O-CB 3.47Å; A599-R603 PolarHBondContact O-N 3.03Å; H601-R603 PolarHBondContact O-N 2.67Å; R603-V605 PolarHBondContact O-N 3.24Å; R603-L606 PolarHBondContact O-N 3.21Å; R603-Q607 HydrophobicContact CG-CG 4.46Å; R603-Q607 WeakPolarHBondContact O-CB 3.3Å; R603-Q607 VanDerWaalsContact O-CG 3.25Å; R603-Q607 WeakPolarHBondContact O-CG 3.44Å; R603-Q607 PolarHBondContact O-N 3Å; R603-D677 PolarHBondContact NH2-O 2.99Å; R603-S678 VanDerWaalsContact CZ-O 3.25Å; R603-S678 PolarHBondContact NE-O 3.39Å; R603-S678 PolarHBondContact NH2-O 3.35Å; R603-I679 WeakPolarHBondContact CB-O 3.48Å; R603-I679 VanDerWaalsContact CG-O 3.28Å; R603-I679 WeakPolarHBondContact CG-O 3.49Å; R603-I679 VanDerWaalsContact CZ-C 3.4Å; R603-I679 PolarHBondContact NE-O 2.62Å; R603-I679 PolarHBondContact NH1-O 2.9Å; R603-F680 VanDerWaalsContact CZ-O 3.28Å; R603-F680 PolarHBondContact NH1-O 3.39Å; R603-F680 PolarHBondContact NH2-O 2.64Å |
| 604 | K | 92.3 | Very high | 89.5 | Confident | 148 Ų | 148 | 60.6 Ų | 60.6 | 64% | 0.643 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.6 | -37.2 | -178.7 | -175.5 | -175.3 | 174.5 | -170.4 | 0 | 113.1 | V600 H601 I602 | V600-K604 PolarHBondContact O-N 3.16Å; V600-K604 VanDerWaalsContact O-N 3.14Å; H601-K604 WeakPolarHBondContact O-CB 3.48Å; H601-K604 PolarHBondContact O-N 3.41Å; I602-K604 VanDerWaalsContact C-N 3.28Å; I602-K604 PolarHBondContact O-N 3.35Å |
| 605 | V | 92.2 | Very high | 89.6 | Confident | 29 Ų | 29 | 59 Ų | 59 | 18% | 0.176 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.3 | -45.3 | 176.4 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | V582 D585 L586 H601 I602 R603 Q607 G608 | V582-V605 HydrophobicContact CB-CG1 3.94Å; V582-V605 HydrophobicContact CG1-CG1 4.04Å; D585-V605 HydrophobicContact CB-CG1 3.93Å; D585-V605 HydrophobicContact CB-CG2 3.94Å; L586-V605 HydrophobicContact CD2-CB 3.84Å; L586-V605 HydrophobicContact CD2-CG1 3.74Å; L586-V605 HydrophobicContact CG-CB 4.45Å; L586-V605 HydrophobicContact CG-CG1 3.82Å; H601-V605 WeakPolarHBondContact O-CG2 3.33Å; H601-V605 PolarHBondContact O-N 2.97Å; I602-V605 PolarHBondContact O-N 3.49Å; I602-V605 VanDerWaalsContact O-N 3.15Å; R603-V605 PolarHBondContact O-N 3.24Å; V605-Q607 VanDerWaalsContact C-N 3.29Å; V605-Q607 PolarHBondContact O-N 3.02Å; V605-G608 PolarHBondContact O-N 3.04Å; V605-G608 VanDerWaalsContact O-N 3.15Å |
| 606 | L | 91.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.9 | -25.8 | -179.9 | -61 | -177.6 | 0 | 0 | 0 | 113 | F578 L586 I602 R603 G608 L609 L614 M617 I679 F680 | F578-L606 HydrophobicContact CD1-CD2 3.92Å; F578-L606 HydrophobicContact CE1-CD1 4.29Å; F578-L606 HydrophobicContact CE1-CD2 3.75Å; L586-L606 HydrophobicContact CD1-CD2 4.01Å; L586-L606 HydrophobicContact CD2-CD2 4.07Å; L586-L606 HydrophobicContact CD2-CG 4.33Å; I602-L606 HydrophobicContact CG2-CD1 3.64Å; I602-L606 HydrophobicContact CG2-CG 4.02Å; I602-L606 WeakPolarHBondContact O-CG 3.41Å; I602-L606 PolarHBondContact O-N 3.37Å; R603-L606 PolarHBondContact O-N 3.21Å; L606-G608 PolarHBondContact O-N 3.25Å; L606-G608 VanDerWaalsContact O-N 3.07Å; L606-L609 HydrophobicContact CB-CD1 4.48Å; L606-L609 HydrophobicContact CD2-CD1 3.68Å; L606-L609 VanDerWaalsContact O-CB 3.29Å; L606-L609 WeakPolarHBondContact O-CB 3.21Å; L606-L609 WeakPolarHBondContact O-CG 3.37Å; L606-L609 PolarHBondContact O-N 2.92Å; L606-L614 HydrophobicContact CB-CD2 4.16Å; L606-L614 WeakPolarHBondContact O-CD2 3.28Å; L606-M617 HydrophobicContact CD1-SD 4.33Å; L606-M617 HydrophobicContact CD2-CE 4.31Å; L606-M617 HydrophobicContact CD2-SD 4.41Å; L606-I679 HydrophobicContact CD1-CG2 3.93Å; L606-F680 HydrophobicContact CD1-CE1 3.88Å; L606-F680 HydrophobicContact CD1-CZ 4.13Å |
| 607 | Q | 87.6 | Confident | 90.3 | Very high | 119 Ų | 119 | 51.9 Ų | 51.9 | 56% | 0.556 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -16.9 | 171 | -85.2 | 172.5 | -19.7 | 0 | 0 | 114.3 | R603 V605 L609 | R603-Q607 HydrophobicContact CG-CG 4.46Å; R603-Q607 WeakPolarHBondContact O-CB 3.3Å; R603-Q607 VanDerWaalsContact O-CG 3.25Å; R603-Q607 WeakPolarHBondContact O-CG 3.44Å; R603-Q607 PolarHBondContact O-N 3Å; V605-Q607 VanDerWaalsContact C-N 3.29Å; V605-Q607 PolarHBondContact O-N 3.02Å; Q607-L609 VanDerWaalsContact C-N 3.31Å |
| 608 | G | 85.4 | Confident | 90.6 | Very high | 71 Ų | 71 | 47 Ų | 47 | 73% | 0.732 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -8.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115 | V605 L606 | V605-G608 PolarHBondContact O-N 3.04Å; V605-G608 VanDerWaalsContact O-N 3.15Å; L606-G608 PolarHBondContact O-N 3.25Å; L606-G608 VanDerWaalsContact O-N 3.07Å |
| 609 | L | 89.1 | Confident | 90.7 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 9% | 0.094 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -86.8 | 156 | -176.3 | -59.4 | -178.3 | 0 | 0 | 0 | 112.8 | P579 V582 L606 Q607 T613 L614 M617 | P579-L609 HydrophobicContact CG-CD2 3.85Å; V582-L609 HydrophobicContact CG1-CD2 4.21Å; L606-L609 HydrophobicContact CB-CD1 4.48Å; L606-L609 HydrophobicContact CD2-CD1 3.68Å; L606-L609 VanDerWaalsContact O-CB 3.29Å; L606-L609 WeakPolarHBondContact O-CB 3.21Å; L606-L609 WeakPolarHBondContact O-CG 3.37Å; L606-L609 PolarHBondContact O-N 2.92Å; Q607-L609 VanDerWaalsContact C-N 3.31Å; L609-T613 HydrophobicContact CD1-CG2 4.48Å; L609-L614 HydrophobicContact CB-CG 4.31Å; L609-M617 HydrophobicContact CD1-CE 3.56Å; L609-M617 HydrophobicContact CD1-SD 4.1Å |
| 610 | P | 89.8 | Confident | 90.9 | Very high | 76 Ų | 76 | 47.2 Ų | 47.2 | 49% | 0.494 | 26% | 0.258 | S | S | . | . | trans | -59.9 | 143.2 | 178.7 | -23.3 | 34.2 | 0 | 0 | 0 | 113 | K612 T613 L614 | P610-K612 VanDerWaalsContact C-N 3.28Å; P610-K612 PolarHBondContact O-N 3.11Å; P610-T613 WeakPolarHBondContact O-CA 3.42Å; P610-T613 VanDerWaalsContact O-CB 3.29Å; P610-T613 WeakPolarHBondContact O-CB 3.36Å; P610-T613 PolarHBondContact O-N 2.94Å; P610-L614 PolarHBondContact O-N 2.71Å | ||
| 611 | S | 86.6 | Confident | 91.1 | Very high | 77 Ų | 77 | 43.4 Ų | 43.4 | 54% | 0.538 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.2 | -38.1 | -178.6 | -47.6 | 0 | 0 | 0 | 0 | 113.8 | T613 L614 I615 | S611-T613 PolarHBondContact O-N 3.45Å; S611-L614 PolarHBondContact O-N 3.4Å; S611-I615 VanDerWaalsContact O-CG1 3.31Å; S611-I615 WeakPolarHBondContact O-CG1 3.45Å; S611-I615 PolarHBondContact O-N 3.37Å |
| 612 | K | 86.2 | Confident | 91.3 | Very high | 116 Ų | 116 | 40.1 Ų | 40.1 | 50% | 0.504 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.1 | -44.9 | 172.8 | -74.2 | -163.9 | 176.3 | -167 | 0 | 111.7 | D500 P610 I615 I616 | D500-K612 IonicContact OD1-NZ 3.1Å; D500-K612 PolarHBondContact OD1-NZ 2.79Å; P610-K612 VanDerWaalsContact C-N 3.28Å; P610-K612 PolarHBondContact O-N 3.11Å; K612-I615 PolarHBondContact O-N 2.75Å; K612-I616 WeakPolarHBondContact O-CG1 3.37Å; K612-I616 PolarHBondContact O-N 3.12Å |
| 613 | T | 89.8 | Confident | 91.4 | Very high | 34 Ų | 34 | 40.1 Ų | 40.1 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.3 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | L577 L609 P610 S611 I615 I616 M617 | L577-T613 HydrophobicContact CD1-CG2 4.12Å; L609-T613 HydrophobicContact CD1-CG2 4.48Å; P610-T613 WeakPolarHBondContact O-CA 3.42Å; P610-T613 VanDerWaalsContact O-CB 3.29Å; P610-T613 WeakPolarHBondContact O-CB 3.36Å; P610-T613 PolarHBondContact O-N 2.94Å; S611-T613 PolarHBondContact O-N 3.45Å; T613-I615 PolarHBondContact O-N 3.17Å; T613-I616 PolarHBondContact O-N 3.4Å; T613-M617 HydrophobicContact CG2-CE 4.18Å; T613-M617 WeakPolarHBondContact O-CG 3.38Å; T613-M617 PolarHBondContact O-N 3.17Å |
| 614 | L | 90.4 | Very high | 91.6 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.5 | -33.9 | 178.1 | -74.4 | 172.4 | 0 | 0 | 0 | 113.5 | L606 L609 P610 S611 M617 R618 F680 L686 | L606-L614 HydrophobicContact CB-CD2 4.16Å; L606-L614 WeakPolarHBondContact O-CD2 3.28Å; L609-L614 HydrophobicContact CB-CG 4.31Å; P610-L614 PolarHBondContact O-N 2.71Å; S611-L614 PolarHBondContact O-N 3.4Å; L614-M617 HydrophobicContact CD2-SD 4.31Å; L614-R618 VanDerWaalsContact O-CB 3.26Å; L614-R618 WeakPolarHBondContact O-CB 3.45Å; L614-R618 PolarHBondContact O-N 3.17Å; L614-F680 HydrophobicContact CD2-CD1 4.26Å; L614-F680 HydrophobicContact CD2-CE1 4.36Å; L614-L686 HydrophobicContact CB-CD2 3.77Å |
| 615 | I | 90.9 | Very high | 91.8 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.1 | -47 | 173.2 | -67.4 | 161.3 | 0 | 0 | 0 | 110.4 | A504 I505 S611 K612 T613 R618 Y619 L686 S687 P689 | A504-I615 HydrophobicContact CB-CD1 4.3Å; A504-I615 HydrophobicContact CB-CG2 4.15Å; I505-I615 HydrophobicContact CG1-CG2 4.34Å; S611-I615 VanDerWaalsContact O-CG1 3.31Å; S611-I615 WeakPolarHBondContact O-CG1 3.45Å; S611-I615 PolarHBondContact O-N 3.37Å; K612-I615 PolarHBondContact O-N 2.75Å; T613-I615 PolarHBondContact O-N 3.17Å; I615-R618 PolarHBondContact O-N 2.96Å; I615-Y619 WeakPolarHBondContact O-CB 3.49Å; I615-Y619 PolarHBondContact O-N 3.19Å; I615-L686 HydrophobicContact CD1-CD1 4.35Å; I615-L686 HydrophobicContact CG1-CD1 4.16Å; I615-L686 HydrophobicContact CG1-CD2 4.01Å; I615-L686 HydrophobicContact CG1-CG 3.97Å; I615-S687 WeakPolarHBondContact CD1-O 3.44Å; I615-P689 HydrophobicContact CG2-CG 3.91Å |
| 616 | I | 92.1 | Very high | 91.9 | Very high | 28 Ų | 28 | 30.7 Ų | 30.7 | 14% | 0.144 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 178.4 | -64.3 | 167.4 | 0 | 0 | 0 | 110.9 | P506 F570 L577 K612 T613 Y619 L620 | P506-I616 HydrophobicContact CG-CD1 4.31Å; F570-I616 HydrophobicContact CE1-CG2 3.76Å; F570-I616 HydrophobicContact CZ-CG2 4.13Å; L577-I616 HydrophobicContact CD1-CB 4.47Å; L577-I616 HydrophobicContact CD1-CG2 3.96Å; K612-I616 WeakPolarHBondContact O-CG1 3.37Å; K612-I616 PolarHBondContact O-N 3.12Å; T613-I616 PolarHBondContact O-N 3.4Å; I616-Y619 PolarHBondContact O-N 2.99Å; I616-L620 WeakPolarHBondContact O-CB 3.44Å; I616-L620 PolarHBondContact O-N 3.36Å |
| 617 | M | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.3 | -50.2 | 173.1 | -75.4 | -176.6 | 171 | 0 | 0 | 111.8 | L577 F578 L606 L609 T613 L614 Y619 L620 F621 F680 | L577-M617 HydrophobicContact CD1-CG 4.19Å; L577-M617 HydrophobicContact CD2-CG 3.93Å; L577-M617 HydrophobicContact CG-CE 4Å; L577-M617 HydrophobicContact CG-CG 3.92Å; L577-M617 WeakPolarHBondContact O-CE 3.42Å; F578-M617 HydrophobicContact CD1-CE 3.7Å; F578-M617 HydrophobicContact CD2-CE 4.14Å; F578-M617 HydrophobicContact CE1-CE 3.67Å; F578-M617 HydrophobicContact CE1-SD 4.45Å; F578-M617 HydrophobicContact CE2-CE 4.1Å; F578-M617 HydrophobicContact CG-CE 3.96Å; F578-M617 HydrophobicContact CZ-CE 3.87Å; L606-M617 HydrophobicContact CD1-SD 4.33Å; L606-M617 HydrophobicContact CD2-CE 4.31Å; L606-M617 HydrophobicContact CD2-SD 4.41Å; L609-M617 HydrophobicContact CD1-CE 3.56Å; L609-M617 HydrophobicContact CD1-SD 4.1Å; T613-M617 HydrophobicContact CG2-CE 4.18Å; T613-M617 WeakPolarHBondContact O-CG 3.38Å; T613-M617 PolarHBondContact O-N 3.17Å; L614-M617 HydrophobicContact CD2-SD 4.31Å; M617-Y619 VanDerWaalsContact C-N 3.28Å; M617-Y619 PolarHBondContact O-N 3.09Å; M617-L620 PolarHBondContact O-N 3.01Å; M617-F621 HydrophobicContact CB-CD2 4.29Å; M617-F621 WeakPolarHBondContact O-CB 3.41Å; M617-F621 VanDerWaalsContact O-CD2 3.29Å; M617-F621 WeakPolarHBondContact O-CD2 3.31Å; M617-F621 PolarHBondContact O-N 3.46Å; M617-F680 HydrophobicContact CB-CD1 4.22Å; M617-F680 HydrophobicContact CB-CE1 3.49Å; M617-F680 VanDerWaalsContact CB-CE1 3.49Å; M617-F680 HydrophobicContact CB-CZ 3.75Å; M617-F680 HydrophobicContact CG-CE1 4.28Å; M617-F680 HydrophobicContact SD-CE1 3.84Å; M617-F680 HydrophobicContact SD-CZ 4.33Å |
| 618 | R | 92.7 | Very high | 92.5 | Very high | 9 Ų | 9 | 25.5 Ų | 25.5 | 3% | 0.034 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.9 | -42.5 | -179.9 | -177.2 | 176.9 | 69.8 | -175.7 | 4.7 | 111.7 | L614 I615 A622 F680 P681 G682 L686 G688 P689 | L614-R618 VanDerWaalsContact O-CB 3.26Å; L614-R618 WeakPolarHBondContact O-CB 3.45Å; L614-R618 PolarHBondContact O-N 3.17Å; I615-R618 PolarHBondContact O-N 2.96Å; R618-A622 VanDerWaalsContact O-CB 3.24Å; R618-A622 WeakPolarHBondContact O-CB 3.28Å; R618-A622 PolarHBondContact O-N 3.28Å; R618-A622 VanDerWaalsContact O-N 3.17Å; R618-F680 HydrophobicContact CB-CB 4Å; R618-F680 HydrophobicContact CB-CG 4.11Å; R618-F680 HydrophobicContact CG-CB 3.95Å; R618-F680 HydrophobicContact CG-CG 4.5Å; R618-P681 WeakPolarHBondContact CD-O 3.31Å; R618-P681 PolarHBondContact NH1-O 2.89Å; R618-G682 PolarHBondContact NH1-O 3.37Å; R618-L686 PolarHBondContact NH1-O 3.26Å; R618-L686 PolarHBondContact NH2-O 2.93Å; R618-G688 PolarHBondContact NH2-O 3.27Å; R618-P689 PolarHBondContact NH2-O 2.95Å |
| 619 | Y | 93.6 | Very high | 92.9 | Very high | 21 Ų | 21 | 27.7 Ų | 27.7 | 8% | 0.082 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68 | -48.3 | 178.2 | -167 | -92.9 | 0 | 0 | 0 | 112.1 | I505 I513 I615 I616 M617 F623 Y691 | I505-Y619 HydrophobicContact CD1-CD1 3.83Å; I505-Y619 HydrophobicContact CD1-CD2 3.21Å; I505-Y619 HydrophobicContact CD1-CE1 4.11Å; I505-Y619 HydrophobicContact CD1-CE2 3.53Å; I505-Y619 HydrophobicContact CD1-CG 3.36Å; I505-Y619 HydrophobicContact CG1-CG 4.35Å; I513-Y619 HydrophobicContact CB-CE1 4.02Å; I513-Y619 HydrophobicContact CD1-CD1 3.76Å; I513-Y619 HydrophobicContact CD1-CE1 3.78Å; I513-Y619 HydrophobicContact CG1-CE1 4.49Å; I513-Y619 HydrophobicContact CG2-CD1 4.48Å; I513-Y619 HydrophobicContact CG2-CE1 3.67Å; I615-Y619 WeakPolarHBondContact O-CB 3.49Å; I615-Y619 PolarHBondContact O-N 3.19Å; I616-Y619 PolarHBondContact O-N 2.99Å; M617-Y619 VanDerWaalsContact C-N 3.28Å; M617-Y619 PolarHBondContact O-N 3.09Å; Y619-F623 PolarHBondContact O-N 2.93Å; Y619-F623 VanDerWaalsContact O-N 3.11Å; Y619-Y691 VanDerWaalsContact CD2-N 3.28Å; Y619-Y691 HydrophobicContact CE1-CD2 4.41Å; Y619-Y691 HydrophobicContact CE2-CD2 4.38Å |
| 620 | L | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -48.2 | 178.6 | 177.6 | 64.6 | 0 | 0 | 0 | 112.2 | I513 F570 L577 I616 M617 F623 L624 F645 L649 | I513-L620 HydrophobicContact CD1-CD1 4.22Å; F570-L620 HydrophobicContact CD2-CD2 4.34Å; F570-L620 HydrophobicContact CE1-CD2 4.23Å; F570-L620 HydrophobicContact CE2-CD1 3.89Å; F570-L620 HydrophobicContact CE2-CD2 3.88Å; F570-L620 HydrophobicContact CE2-CG 4.44Å; F570-L620 HydrophobicContact CZ-CB 4.5Å; F570-L620 HydrophobicContact CZ-CD1 4.26Å; F570-L620 HydrophobicContact CZ-CD2 3.83Å; F570-L620 HydrophobicContact CZ-CG 4.42Å; L577-L620 HydrophobicContact CD2-CD2 3.99Å; I616-L620 WeakPolarHBondContact O-CB 3.44Å; I616-L620 PolarHBondContact O-N 3.36Å; M617-L620 PolarHBondContact O-N 3.01Å; L620-F623 PolarHBondContact O-N 3.27Å; L620-L624 HydrophobicContact CD1-CD1 4.11Å; L620-L624 HydrophobicContact CD1-CG 4.2Å; L620-L624 HydrophobicContact CG-CD1 4.02Å; L620-L624 HydrophobicContact CG-CG 4.44Å; L620-L624 WeakPolarHBondContact O-CG 3.46Å; L620-L624 PolarHBondContact O-N 3.41Å; L620-F645 HydrophobicContact CD1-CE1 4.33Å; L620-L649 HydrophobicContact CD2-CD1 3.99Å; L620-L649 HydrophobicContact CD2-CD2 4.04Å |
| 621 | F | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -74.3 | -28.9 | -175.4 | -77.3 | -69.7 | 0 | 0 | 0 | 113.5 | F578 M617 L624 N625 L649 I669 I672 I673 H676 F680 | F578-F621 HydrophobicContact CE2-CE2 4.11Å; F578-F621 HydrophobicContact CE2-CZ 4.06Å; F578-F621 AromaticContact CZ-CE2 3.84Å; F578-F621 HydrophobicContact CZ-CE2 3.84Å; F578-F621 AromaticContact CZ-CZ 3.92Å; F578-F621 HydrophobicContact CZ-CZ 3.92Å; M617-F621 HydrophobicContact CB-CD2 4.29Å; M617-F621 WeakPolarHBondContact O-CB 3.41Å; M617-F621 VanDerWaalsContact O-CD2 3.29Å; M617-F621 WeakPolarHBondContact O-CD2 3.31Å; M617-F621 PolarHBondContact O-N 3.46Å; F621-L624 HydrophobicContact CD1-CD1 4.31Å; F621-L624 HydrophobicContact CE1-CD1 4.4Å; F621-N625 WeakPolarHBondContact O-CB 3.47Å; F621-N625 PolarHBondContact O-N 2.97Å; F621-L649 HydrophobicContact CE1-CD1 4.4Å; F621-L649 HydrophobicContact CE2-CD1 4.39Å; F621-L649 HydrophobicContact CZ-CD1 3.72Å; F621-I669 HydrophobicContact CE1-CG2 4.13Å; F621-I669 HydrophobicContact CZ-CD1 4.29Å; F621-I672 HydrophobicContact CB-CG2 4.38Å; F621-I672 HydrophobicContact CD1-CB 4.24Å; F621-I672 HydrophobicContact CD1-CG2 3.61Å; F621-I672 HydrophobicContact CD2-CG2 3.66Å; F621-I672 HydrophobicContact CE1-CB 4.03Å; F621-I672 HydrophobicContact CE1-CG2 3.69Å; F621-I672 HydrophobicContact CE2-CG2 3.74Å; F621-I672 HydrophobicContact CG-CG2 3.61Å; F621-I672 HydrophobicContact CZ-CB 4.29Å; F621-I672 HydrophobicContact CZ-CG2 3.76Å; F621-I673 HydrophobicContact CD1-CG1 3.74Å; F621-I673 HydrophobicContact CE1-CG1 3.9Å; F621-H676 HydrophobicContact CB-CB 3.95Å; F621-F680 HydrophobicContact CB-CD2 4.49Å; F621-F680 HydrophobicContact CB-CE2 3.76Å; F621-F680 AromaticContact CD2-CE2 3.71Å; F621-F680 HydrophobicContact CD2-CE2 3.71Å; F621-F680 AromaticContact CD2-CZ 3.63Å; F621-F680 HydrophobicContact CD2-CZ 3.63Å; F621-F680 HydrophobicContact CE2-CZ 4.24Å; F621-F680 AromaticContact CG-CE2 3.97Å; F621-F680 HydrophobicContact CG-CE2 3.97Å; F621-F680 HydrophobicContact CG-CZ 4.35Å |
| 622 | A | 94.6 | Very high | 93.7 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 8% | 0.083 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.7 | -41.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R618 N625 H626 Y691 | R618-A622 VanDerWaalsContact O-CB 3.24Å; R618-A622 WeakPolarHBondContact O-CB 3.28Å; R618-A622 PolarHBondContact O-N 3.28Å; R618-A622 VanDerWaalsContact O-N 3.17Å; A622-N625 PolarHBondContact O-N 2.96Å; A622-H626 PolarHBondContact O-N 2.97Å; A622-Y691 HydrophobicContact CB-CD1 4.17Å |
| 623 | F | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 172.2 | 163.3 | -108.5 | 0 | 0 | 0 | 112.3 | I513 I516 F527 L566 Y619 L620 N625 H626 L627 Y691 | I513-F623 HydrophobicContact CB-CG 4.47Å; I513-F623 HydrophobicContact CD1-CB 4.41Å; I513-F623 HydrophobicContact CD1-CD1 4.07Å; I513-F623 HydrophobicContact CD1-CG 4.35Å; I513-F623 HydrophobicContact CG1-CD1 3.86Å; I513-F623 HydrophobicContact CG1-CE1 4.15Å; I513-F623 HydrophobicContact CG1-CG 4.18Å; I513-F623 HydrophobicContact CG2-CB 3.89Å; I513-F623 HydrophobicContact CG2-CD1 4.21Å; I513-F623 HydrophobicContact CG2-CD2 3.7Å; I513-F623 HydrophobicContact CG2-CE2 4.3Å; I513-F623 HydrophobicContact CG2-CG 3.64Å; I516-F623 HydrophobicContact CB-CZ 4.13Å; I516-F623 HydrophobicContact CG2-CE2 4.3Å; I516-F623 HydrophobicContact CG2-CZ 3.81Å; F527-F623 HydrophobicContact CE2-CE1 4.02Å; F527-F623 HydrophobicContact CE2-CZ 4.15Å; F527-F623 AromaticContact CZ-CE1 3.93Å; F527-F623 HydrophobicContact CZ-CE1 3.93Å; F527-F623 HydrophobicContact CZ-CZ 4.24Å; L566-F623 HydrophobicContact CD2-CE1 4.41Å; Y619-F623 PolarHBondContact O-N 2.93Å; Y619-F623 VanDerWaalsContact O-N 3.11Å; L620-F623 PolarHBondContact O-N 3.27Å; F623-N625 VanDerWaalsContact C-N 3.29Å; F623-N625 PolarHBondContact O-N 3.27Å; F623-H626 PolarHBondContact O-N 3.35Å; F623-L627 HydrophobicContact CE1-CD2 4.41Å; F623-L627 HydrophobicContact CZ-CD2 4.14Å; F623-L627 WeakPolarHBondContact O-CB 3.43Å; F623-L627 PolarHBondContact O-N 3.41Å; F623-Y691 HydrophobicContact CB-CD1 4.21Å; F623-Y691 HydrophobicContact CB-CD2 4.01Å; F623-Y691 HydrophobicContact CB-CE1 4.25Å; F623-Y691 HydrophobicContact CB-CE2 4.06Å; F623-Y691 HydrophobicContact CB-CG 4.09Å; F623-Y691 AromaticContact CD2-CE2 3.94Å; F623-Y691 HydrophobicContact CD2-CE2 3.94Å; F623-Y691 AromaticContact CD2-CZ 3.89Å; F623-Y691 HydrophobicContact CG-CE2 4.44Å |
| 624 | L | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.3 | -32.1 | 178.6 | -68.8 | 176.5 | 0 | 0 | 0 | 112.6 | L620 F621 L627 S628 L641 F645 I673 | L620-L624 HydrophobicContact CD1-CD1 4.11Å; L620-L624 HydrophobicContact CD1-CG 4.2Å; L620-L624 HydrophobicContact CG-CD1 4.02Å; L620-L624 HydrophobicContact CG-CG 4.44Å; L620-L624 WeakPolarHBondContact O-CG 3.46Å; L620-L624 PolarHBondContact O-N 3.41Å; F621-L624 HydrophobicContact CD1-CD1 4.31Å; F621-L624 HydrophobicContact CE1-CD1 4.4Å; L624-L627 HydrophobicContact CD2-CD2 4.41Å; L624-S628 WeakPolarHBondContact O-CB 3.48Å; L624-S628 PolarHBondContact O-N 2.99Å; L624-S628 VanDerWaalsContact O-N 3.15Å; L624-L641 HydrophobicContact CD2-CD2 4.39Å; L624-L641 WeakPolarHBondContact O-CD1 3.41Å; L624-F645 HydrophobicContact CD1-CD1 4.35Å; L624-F645 HydrophobicContact CD1-CD2 4.03Å; L624-F645 HydrophobicContact CD1-CE2 4.25Å; L624-F645 HydrophobicContact CD1-CG 4.08Å; L624-F645 HydrophobicContact CD1-CZ 4.49Å; L624-F645 HydrophobicContact CD2-CD2 3.98Å; L624-F645 HydrophobicContact CD2-CE2 3.53Å; L624-F645 HydrophobicContact CD2-CZ 3.97Å; L624-I673 HydrophobicContact CB-CG1 4.2Å; L624-I673 HydrophobicContact CB-CG2 4.42Å; L624-I673 HydrophobicContact CD1-CD1 4.49Å; L624-I673 HydrophobicContact CD1-CG1 4.46Å |
| 625 | N | 96.2 | Very high | 94.4 | Very high | 31 Ų | 31 | 31.3 Ų | 31.3 | 17% | 0.166 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.3 | -52.6 | 170.7 | -174.9 | -76.3 | 0 | 0 | 0 | 111 | F621 A622 F623 L627 S628 Q629 I673 H676 | F621-N625 WeakPolarHBondContact O-CB 3.47Å; F621-N625 PolarHBondContact O-N 2.97Å; A622-N625 PolarHBondContact O-N 2.96Å; F623-N625 VanDerWaalsContact C-N 3.29Å; F623-N625 PolarHBondContact O-N 3.27Å; N625-L627 VanDerWaalsContact C-N 3.34Å; N625-L627 PolarHBondContact O-N 2.91Å; N625-S628 WeakPolarHBondContact O-CB 3.18Å; N625-S628 PolarHBondContact O-N 3.46Å; N625-S628 PolarHBondContact O-OG 3.06Å; N625-Q629 PolarHBondContact O-N 3.5Å; N625-Q629 PolarHBondContact OD1-NE2 3.03Å; N625-I673 PolarHBondContact ND2-O 3.33Å; N625-H676 WeakPolarHBondContact CB-CD2 3.31Å; N625-H676 VanDerWaalsContact CG-CD2 3.46Å; N625-H676 PolarHBondContact ND2-CD2 2.67Å |
| 626 | H | 95.6 | Very high | 94.6 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 3% | 0.032 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.2 | -45.1 | 178.5 | 178.8 | -130.1 | 0 | 0 | 0 | 112.4 | A622 F623 S628 Q629 Y630 Y691 I693 | A622-H626 PolarHBondContact O-N 2.97Å; F623-H626 PolarHBondContact O-N 3.35Å; H626-S628 VanDerWaalsContact C-N 3.27Å; H626-S628 PolarHBondContact O-N 2.73Å; H626-Q629 VanDerWaalsContact O-CB 3.28Å; H626-Q629 WeakPolarHBondContact O-CB 3.12Å; H626-Q629 PolarHBondContact O-N 2.91Å; H626-Y630 AromaticContact NE2-CE2 3.58Å; H626-Y691 HydrophobicContact CB-CE1 3.79Å; H626-Y691 AromaticContact ND1-CE1 3.81Å; H626-Y691 AromaticContact ND1-CZ 3.76Å; H626-Y691 PolarHBondContact ND1-OH 2.83Å; H626-I693 HydrophobicContact CB-CD1 4.47Å; H626-I693 HydrophobicContact CB-CG1 4.37Å; H626-I693 WeakPolarHBondContact NE2-CG2 3.48Å |
| 627 | L | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.8 | -38.4 | 175.1 | -176.4 | 67.7 | 0 | 0 | 0 | 112.6 | L521 I526 F527 F623 L624 N625 Q629 Y630 N634 L641 | L521-L627 HydrophobicContact CD2-CD1 3.82Å; I526-L627 HydrophobicContact CG2-CD1 4.15Å; I526-L627 HydrophobicContact CG2-CD2 4.23Å; F527-L627 HydrophobicContact CD2-CD2 3.8Å; F527-L627 HydrophobicContact CE2-CD2 3.54Å; F623-L627 HydrophobicContact CE1-CD2 4.41Å; F623-L627 HydrophobicContact CZ-CD2 4.14Å; F623-L627 WeakPolarHBondContact O-CB 3.43Å; F623-L627 PolarHBondContact O-N 3.41Å; L624-L627 HydrophobicContact CD2-CD2 4.41Å; N625-L627 VanDerWaalsContact C-N 3.34Å; N625-L627 PolarHBondContact O-N 2.91Å; L627-Q629 PolarHBondContact O-N 3.49Å; L627-Y630 PolarHBondContact O-N 3.33Å; L627-N634 PolarHBondContact O-ND2 3.37Å; L627-L641 HydrophobicContact CD2-CD1 4.35Å; L627-L641 HydrophobicContact CD2-CD2 3.87Å |
| 628 | S | 96 | Very high | 94.9 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 8% | 0.077 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.3 | -15 | 178.3 | 78.1 | 0 | 0 | 0 | 0 | 114.2 | L624 N625 H626 Y630 S631 | L624-S628 WeakPolarHBondContact O-CB 3.48Å; L624-S628 PolarHBondContact O-N 2.99Å; L624-S628 VanDerWaalsContact O-N 3.15Å; N625-S628 WeakPolarHBondContact O-CB 3.18Å; N625-S628 PolarHBondContact O-N 3.46Å; N625-S628 PolarHBondContact O-OG 3.06Å; H626-S628 VanDerWaalsContact C-N 3.27Å; H626-S628 PolarHBondContact O-N 2.73Å; S628-Y630 PolarHBondContact O-N 3.13Å; S628-S631 WeakPolarHBondContact O-CB 3.21Å; S628-S631 PolarHBondContact O-N 2.67Å; S628-S631 PolarHBondContact O-OG 2.92Å |
| 629 | Q | 94.5 | Very high | 95 | Very high | 117 Ų | 117 | 38.2 Ų | 38.2 | 55% | 0.547 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -71.6 | -20.5 | 173.4 | -59.2 | 169.8 | 22.1 | 0 | 0 | 111.6 | N625 H626 L627 S631 | N625-Q629 PolarHBondContact O-N 3.5Å; N625-Q629 PolarHBondContact OD1-NE2 3.03Å; H626-Q629 VanDerWaalsContact O-CB 3.28Å; H626-Q629 WeakPolarHBondContact O-CB 3.12Å; H626-Q629 PolarHBondContact O-N 2.91Å; L627-Q629 PolarHBondContact O-N 3.49Å; Q629-S631 VanDerWaalsContact C-N 3.34Å |
| 630 | Y | 95.7 | Very high | 95.1 | Very high | 76 Ų | 76 | 39.8 Ų | 39.8 | 30% | 0.298 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 16.6 | 173.5 | -66.5 | -95.2 | 0 | 0 | 0 | 113 | L521 Q522 H626 L627 S628 E632 E633 N634 | L521-Y630 HydrophobicContact CB-CD1 4.4Å; L521-Y630 HydrophobicContact CB-CD2 4.18Å; L521-Y630 HydrophobicContact CB-CE2 4.37Å; L521-Y630 HydrophobicContact CB-CG 4.21Å; L521-Y630 HydrophobicContact CD1-CD2 4.41Å; L521-Y630 HydrophobicContact CD1-CE2 3.84Å; L521-Y630 HydrophobicContact CD2-CD2 4.46Å; L521-Y630 HydrophobicContact CG-CE2 4.49Å; L521-Y630 WeakPolarHBondContact O-CB 3.41Å; Q522-Y630 HydrophobicContact CG-CD1 4.32Å; H626-Y630 AromaticContact NE2-CE2 3.58Å; L627-Y630 PolarHBondContact O-N 3.33Å; S628-Y630 PolarHBondContact O-N 3.13Å; Y630-E632 PolarHBondContact O-N 2.91Å; Y630-E632 VanDerWaalsContact O-N 3.16Å; Y630-E633 PolarHBondContact O-N 3.2Å; Y630-N634 WeakPolarHBondContact CB-ND2 3.42Å; Y630-N634 VanDerWaalsContact O-CG 3.26Å; Y630-N634 PolarHBondContact O-N 3.47Å; Y630-N634 PolarHBondContact O-ND2 2.94Å; Y630-N634 PolarHBondContact O-OD1 3.28Å |
| 631 | S | 94.3 | Very high | 95.2 | Very high | 39 Ų | 39 | 39.8 Ų | 39.8 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.7 | -15.7 | -175.7 | 54 | 0 | 0 | 0 | 0 | 115.3 | S628 Q629 E633 N634 M635 | S628-S631 WeakPolarHBondContact O-CB 3.21Å; S628-S631 PolarHBondContact O-N 2.67Å; S628-S631 PolarHBondContact O-OG 2.92Å; Q629-S631 VanDerWaalsContact C-N 3.34Å; S631-E633 PolarHBondContact O-N 3.38Å; S631-N634 WeakPolarHBondContact CA-OD1 3.5Å; S631-M635 WeakPolarHBondContact O-CA 3.5Å; S631-M635 PolarHBondContact O-N 2.88Å |
| 632 | E | 91.8 | Very high | 95.2 | Very high | 113 Ų | 113 | 39.8 Ų | 39.8 | 53% | 0.528 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.7 | -26.8 | 168.4 | -62.6 | -174.4 | 156.5 | 0 | 0 | 112.2 | Y630 R752 | Y630-E632 PolarHBondContact O-N 2.91Å; Y630-E632 VanDerWaalsContact O-N 3.16Å; E632-R752 IonicContact OE2-CZ 2.73Å; E632-R752 IonicContact OE2-NE 3.8Å; E632-R752 PolarHBondContact OE2-NE 3.44Å; E632-R752 IonicContact OE2-NH2 3.88Å; E632-R752 PolarHBondContact OE2-NH2 3.24Å |
| 633 | E | 91.6 | Very high | 95.1 | Very high | 87 Ų | 87 | 42.6 Ų | 42.6 | 41% | 0.407 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -109 | -50.6 | -176.2 | -60.3 | 177.5 | -120.5 | 0 | 0 | 111.7 | Q522 Y630 S631 M635 | Q522-E633 WeakPolarHBondContact CG-OE2 3.48Å; Q522-E633 PolarHBondContact NE2-OE2 3.47Å; Y630-E633 PolarHBondContact O-N 3.2Å; S631-E633 PolarHBondContact O-N 3.38Å; E633-M635 VanDerWaalsContact C-N 3.31Å; E633-M635 PolarHBondContact O-N 3.32Å |
| 634 | N | 94.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -82.1 | -5 | -176.1 | 70.8 | 30.5 | 0 | 0 | 0 | 114.1 | L521 H523 G525 I526 L627 Y630 S631 M636 | L521-N634 WeakPolarHBondContact O-CB 3.45Å; L521-N634 PolarHBondContact O-ND2 3.23Å; H523-N634 WeakPolarHBondContact O-CB 3.46Å; G525-N634 PolarHBondContact N-O 3.41Å; I526-N634 HydrophobicContact CG2-CB 4.39Å; L627-N634 PolarHBondContact O-ND2 3.37Å; Y630-N634 WeakPolarHBondContact CB-ND2 3.42Å; Y630-N634 VanDerWaalsContact O-CG 3.26Å; Y630-N634 PolarHBondContact O-N 3.47Å; Y630-N634 PolarHBondContact O-ND2 2.94Å; Y630-N634 PolarHBondContact O-OD1 3.28Å; S631-N634 WeakPolarHBondContact CA-OD1 3.5Å; N634-M636 WeakPolarHBondContact O-CG 3.33Å; N634-M636 PolarHBondContact O-N 2.76Å; N634-M636 WeakPolarHBondContact OD1-CA 3.44Å; N634-M636 WeakPolarHBondContact OD1-CB 3.5Å; N634-M636 PolarHBondContact OD1-N 2.98Å |
| 635 | M | 94.1 | Very high | 95.1 | Very high | 97 Ų | 97 | 43.8 Ų | 43.8 | 48% | 0.478 | 22% | 0.215 | S | C | . | . | trans | 60.9 | 15.4 | -178.4 | -56.3 | -71.5 | 171.6 | 0 | 0 | 115.3 | E524 S631 E633 N640 | E524-M635 HydrophobicContact CG-CB 4.16Å; E524-M635 HydrophobicContact CG-CG 3.58Å; S631-M635 WeakPolarHBondContact O-CA 3.5Å; S631-M635 PolarHBondContact O-N 2.88Å; E633-M635 VanDerWaalsContact C-N 3.31Å; E633-M635 PolarHBondContact O-N 3.32Å; M635-N640 PolarHBondContact O-ND2 3.23Å | ||
| 636 | M | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -115.6 | 76.7 | -173.8 | -65.3 | -59.1 | -65.2 | 0 | 0 | 112.2 | I526 R528 N634 N640 L641 | I526-M636 HydrophobicContact CG2-CG 4.22Å; I526-M636 WeakPolarHBondContact O-CG 3.49Å; R528-M636 HydrophobicContact CB-CE 3.83Å; R528-M636 HydrophobicContact CB-SD 3.59Å; R528-M636 VanDerWaalsContact CB-SD 3.59Å; R528-M636 HydrophobicContact CG-SD 4.41Å; N634-M636 WeakPolarHBondContact O-CG 3.33Å; N634-M636 PolarHBondContact O-N 2.76Å; N634-M636 WeakPolarHBondContact OD1-CA 3.44Å; N634-M636 WeakPolarHBondContact OD1-CB 3.5Å; N634-M636 PolarHBondContact OD1-N 2.98Å; M636-N640 HydrophobicContact CE-CB 3.79Å; M636-N640 HydrophobicContact SD-CB 3.9Å; M636-L641 HydrophobicContact CB-CD2 3.97Å; M636-L641 HydrophobicContact CB-CG 4.08Å; M636-L641 HydrophobicContact CE-CD2 3.87Å; M636-L641 HydrophobicContact CE-CG 4.3Å | ||
| 637 | D | 95.5 | Very high | 94.7 | Very high | 61 Ų | 61 | 45 Ų | 45 | 33% | 0.326 | 23% | 0.226 | S | C | . | . | trans | -65.7 | 171.1 | 171.8 | 91.2 | -23 | 0 | 0 | 0 | 112.5 | Y639 N640 L641 | D637-Y639 PolarHBondContact O-N 2.84Å; D637-Y639 WeakPolarHBondContact OD1-CA 3.34Å; D637-Y639 WeakPolarHBondContact OD1-CB 3.46Å; D637-Y639 PolarHBondContact OD1-N 3.04Å; D637-N640 PolarHBondContact O-N 3.13Å; D637-N640 WeakPolarHBondContact OD1-CB 3.39Å; D637-N640 PolarHBondContact OD1-N 3.14Å; D637-L641 WeakPolarHBondContact O-CG 3.3Å; D637-L641 PolarHBondContact O-N 3.18Å | ||
| 638 | P | 95.8 | Very high | 94.4 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 16% | 0.162 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60 | -17.6 | 179.4 | -24.8 | 34.7 | 0 | 0 | 0 | 115.1 | A642 K670 I673 I674 | P638-A642 VanDerWaalsContact O-CB 3.22Å; P638-A642 WeakPolarHBondContact O-CB 3.23Å; P638-A642 PolarHBondContact O-N 2.94Å; P638-K670 HydrophobicContact CB-CG 4.44Å; P638-I673 HydrophobicContact CB-CB 4.49Å; P638-I673 HydrophobicContact CB-CG2 4.02Å; P638-I674 HydrophobicContact CB-CD1 4.14Å; P638-I674 HydrophobicContact CB-CG1 3.8Å; P638-I674 HydrophobicContact CG-CG1 4.07Å |
| 639 | Y | 95.1 | Very high | 94.3 | Very high | 107 Ų | 107 | 45.7 Ų | 45.7 | 42% | 0.42 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -85.6 | -44.9 | 176.5 | -179.9 | -112.9 | 0 | 0 | 0 | 111.4 | D637 A642 I643 K670 | D637-Y639 PolarHBondContact O-N 2.84Å; D637-Y639 WeakPolarHBondContact OD1-CA 3.34Å; D637-Y639 WeakPolarHBondContact OD1-CB 3.46Å; D637-Y639 PolarHBondContact OD1-N 3.04Å; Y639-A642 CarbonylContact O-C 3.56Å; Y639-A642 PolarHBondContact O-N 2.74Å; Y639-A642 VanDerWaalsContact O-N 3.12Å; Y639-I643 HydrophobicContact CD1-CD1 3.94Å; Y639-I643 HydrophobicContact CE1-CD1 3.58Å; Y639-I643 HydrophobicContact CE2-CD1 4.5Å; Y639-I643 WeakPolarHBondContact O-CG1 3.42Å; Y639-I643 PolarHBondContact O-N 3.05Å; Y639-K670 HydrophobicContact CD2-CD 3.91Å; Y639-K670 HydrophobicContact CG-CD 4.45Å |
| 640 | N | 96.3 | Very high | 94 | Very high | 54 Ų | 54 | 40.3 Ų | 40.3 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 174.1 | -70.9 | -12.1 | 0 | 0 | 0 | 111.1 | M635 M636 D637 A642 I643 C644 | M635-N640 PolarHBondContact O-ND2 3.23Å; M636-N640 HydrophobicContact CE-CB 3.79Å; M636-N640 HydrophobicContact SD-CB 3.9Å; D637-N640 PolarHBondContact O-N 3.13Å; D637-N640 WeakPolarHBondContact OD1-CB 3.39Å; D637-N640 PolarHBondContact OD1-N 3.14Å; N640-A642 VanDerWaalsContact C-N 3.34Å; N640-A642 PolarHBondContact O-N 3.18Å; N640-I643 PolarHBondContact O-N 3.22Å; N640-C644 PolarHBondContact O-N 2.86Å; N640-C644 PolarHBondContact O-SG 3.47Å |
| 641 | L | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 172.1 | -69.5 | 172.7 | 0 | 0 | 0 | 111.8 | F527 L624 L627 M636 D637 C644 F645 I673 | F527-L641 HydrophobicContact CD2-CD2 4.23Å; L624-L641 HydrophobicContact CD2-CD2 4.39Å; L624-L641 WeakPolarHBondContact O-CD1 3.41Å; L627-L641 HydrophobicContact CD2-CD1 4.35Å; L627-L641 HydrophobicContact CD2-CD2 3.87Å; M636-L641 HydrophobicContact CB-CD2 3.97Å; M636-L641 HydrophobicContact CB-CG 4.08Å; M636-L641 HydrophobicContact CE-CD2 3.87Å; M636-L641 HydrophobicContact CE-CG 4.3Å; D637-L641 WeakPolarHBondContact O-CG 3.3Å; D637-L641 PolarHBondContact O-N 3.18Å; L641-C644 PolarHBondContact O-N 2.76Å; L641-F645 PolarHBondContact O-N 2.91Å; L641-I673 HydrophobicContact CB-CD1 3.95Å |
| 642 | A | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.7 | -29.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | P638 Y639 N640 G646 N666 I669 K670 I673 | P638-A642 VanDerWaalsContact O-CB 3.22Å; P638-A642 WeakPolarHBondContact O-CB 3.23Å; P638-A642 PolarHBondContact O-N 2.94Å; Y639-A642 CarbonylContact O-C 3.56Å; Y639-A642 PolarHBondContact O-N 2.74Å; Y639-A642 VanDerWaalsContact O-N 3.12Å; N640-A642 VanDerWaalsContact C-N 3.34Å; N640-A642 PolarHBondContact O-N 3.18Å; A642-G646 VanDerWaalsContact O-CA 3.28Å; A642-G646 WeakPolarHBondContact O-CA 3.33Å; A642-G646 PolarHBondContact O-N 3.41Å; A642-N666 VanDerWaalsContact CB-O 3.31Å; A642-N666 WeakPolarHBondContact CB-O 3.46Å; A642-I669 HydrophobicContact CB-CB 4.04Å; A642-I669 HydrophobicContact CB-CG2 3.87Å; A642-K670 HydrophobicContact CB-CB 3.74Å; A642-I673 HydrophobicContact CB-CD1 4.29Å |
| 643 | I | 94.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 35.3 Ų | 35.3 | 36% | 0.359 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64 | -42 | 168.8 | -70.7 | 163 | 0 | 0 | 0 | 110.4 | Y639 N640 P647 | Y639-I643 HydrophobicContact CD1-CD1 3.94Å; Y639-I643 HydrophobicContact CE1-CD1 3.58Å; Y639-I643 HydrophobicContact CE2-CD1 4.5Å; Y639-I643 WeakPolarHBondContact O-CG1 3.42Å; Y639-I643 PolarHBondContact O-N 3.05Å; N640-I643 PolarHBondContact O-N 3.22Å; I643-P647 WeakPolarHBondContact O-CD 3.44Å |
| 644 | C | 95.6 | Very high | 91.2 | Very high | 24 Ų | 24 | 39.4 Ų | 39.4 | 16% | 0.162 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -74.1 | -39.6 | -178.1 | -60.7 | 0 | 0 | 0 | 0 | 113 | F527 N640 L641 T648 | F527-C644 HydrophobicContact CB-CB 4.35Å; N640-C644 PolarHBondContact O-N 2.86Å; N640-C644 PolarHBondContact O-SG 3.47Å; L641-C644 PolarHBondContact O-N 2.76Å; C644-T648 PolarHBondContact O-OG1 3.49Å; C644-T648 VanDerWaalsContact O-OG1 3.09Å |
| 645 | F | 95.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -91.3 | -20.7 | -178.8 | -81.8 | -86.9 | 0 | 0 | 0 | 114.2 | F527 K567 L620 L624 L641 T648 L649 I669 | F527-F645 HydrophobicContact CB-CE2 4.15Å; F527-F645 AromaticContact CD1-CE2 3.74Å; F527-F645 HydrophobicContact CD1-CE2 3.74Å; F527-F645 AromaticContact CD1-CZ 3.69Å; F527-F645 HydrophobicContact CD1-CZ 3.69Å; F527-F645 HydrophobicContact CD2-CE2 4.06Å; F527-F645 HydrophobicContact CE1-CE2 4.11Å; F527-F645 AromaticContact CE1-CZ 3.7Å; F527-F645 HydrophobicContact CE1-CZ 3.7Å; F527-F645 HydrophobicContact CE2-CE2 4.41Å; F527-F645 AromaticContact CG-CE2 3.71Å; F527-F645 HydrophobicContact CG-CE2 3.71Å; F527-F645 HydrophobicContact CG-CZ 4.15Å; F527-F645 HydrophobicContact CZ-CE2 4.43Å; F527-F645 HydrophobicContact CZ-CZ 4.16Å; K567-F645 HydrophobicContact CG-CE1 4.47Å; K567-F645 HydrophobicContact CG-CZ 4.33Å; L620-F645 HydrophobicContact CD1-CE1 4.33Å; L624-F645 HydrophobicContact CD1-CD1 4.35Å; L624-F645 HydrophobicContact CD1-CD2 4.03Å; L624-F645 HydrophobicContact CD1-CE2 4.25Å; L624-F645 HydrophobicContact CD1-CG 4.08Å; L624-F645 HydrophobicContact CD1-CZ 4.49Å; L624-F645 HydrophobicContact CD2-CD2 3.98Å; L624-F645 HydrophobicContact CD2-CE2 3.53Å; L624-F645 HydrophobicContact CD2-CZ 3.97Å; L641-F645 PolarHBondContact O-N 2.91Å; F645-T648 WeakPolarHBondContact O-CB 3.29Å; F645-T648 PolarHBondContact O-N 3.37Å; F645-L649 HydrophobicContact CB-CD1 4.01Å; F645-L649 HydrophobicContact CB-CG 4.22Å; F645-L649 HydrophobicContact CD1-CD1 4.09Å; F645-L649 HydrophobicContact CD1-CD2 4.27Å; F645-L649 HydrophobicContact CD1-CG 4.07Å; F645-L649 HydrophobicContact CG-CD1 4.48Å; F645-L649 WeakPolarHBondContact O-CB 3.18Å; F645-L649 VanDerWaalsContact O-CG 3.31Å; F645-L649 WeakPolarHBondContact O-CG 3.32Å; F645-L649 PolarHBondContact O-N 3.42Å; F645-I669 HydrophobicContact CB-CG2 4.42Å |
| 646 | G | 93 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -51.3 | -63.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | A642 T648 L649 M650 | A642-G646 VanDerWaalsContact O-CA 3.28Å; A642-G646 WeakPolarHBondContact O-CA 3.33Å; A642-G646 PolarHBondContact O-N 3.41Å; G646-T648 PolarHBondContact O-N 3.28Å; G646-L649 PolarHBondContact O-N 3.38Å; G646-M650 PolarHBondContact O-N 3.45Å |
| 647 | P | 89.9 | Confident | 88.2 | Confident | 64 Ų | 64 | 48.1 Ų | 48.1 | 42% | 0.416 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62 | -29.3 | 177.5 | -20.2 | 31.5 | 0 | 0 | 0 | 113.6 | I643 | I643-P647 WeakPolarHBondContact O-CD 3.44Å |
| 648 | T | 91.3 | Very high | 87.5 | Confident | 23 Ų | 23 | 51.9 Ų | 51.9 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.1 | -37.9 | -177.3 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | K567 F570 R571 C644 F645 G646 | K567-T648 HydrophobicContact CB-CG2 4.39Å; K567-T648 VanDerWaalsContact O-CG2 3.31Å; K567-T648 WeakPolarHBondContact O-CG2 3.37Å; F570-T648 HydrophobicContact CB-CG2 4.03Å; R571-T648 HydrophobicContact CB-CG2 4.36Å; C644-T648 PolarHBondContact O-OG1 3.49Å; C644-T648 VanDerWaalsContact O-OG1 3.09Å; F645-T648 WeakPolarHBondContact O-CB 3.29Å; F645-T648 PolarHBondContact O-N 3.37Å; G646-T648 PolarHBondContact O-N 3.28Å |
| 649 | L | 92.4 | Very high | 86.7 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -96.8 | -28.6 | -175.2 | -61.2 | -176.4 | 0 | 0 | 0 | 113.2 | F570 L577 F578 L620 F621 F645 G646 | F570-L649 HydrophobicContact CB-CD2 3.76Å; F570-L649 HydrophobicContact CD1-CD2 4.17Å; F570-L649 HydrophobicContact CD2-CD2 4.41Å; F570-L649 HydrophobicContact CG-CD2 3.87Å; L577-L649 HydrophobicContact CB-CD2 4.35Å; L577-L649 HydrophobicContact CD2-CD2 3.86Å; F578-L649 HydrophobicContact CD2-CB 3.87Å; F578-L649 HydrophobicContact CE2-CB 3.92Å; F578-L649 HydrophobicContact CE2-CD1 4.18Å; F578-L649 PolarHBondContact N-O 3.2Å; L620-L649 HydrophobicContact CD2-CD1 3.99Å; L620-L649 HydrophobicContact CD2-CD2 4.04Å; F621-L649 HydrophobicContact CE1-CD1 4.4Å; F621-L649 HydrophobicContact CE2-CD1 4.39Å; F621-L649 HydrophobicContact CZ-CD1 3.72Å; F645-L649 HydrophobicContact CB-CD1 4.01Å; F645-L649 HydrophobicContact CB-CG 4.22Å; F645-L649 HydrophobicContact CD1-CD1 4.09Å; F645-L649 HydrophobicContact CD1-CD2 4.27Å; F645-L649 HydrophobicContact CD1-CG 4.07Å; F645-L649 HydrophobicContact CG-CD1 4.48Å; F645-L649 WeakPolarHBondContact O-CB 3.18Å; F645-L649 VanDerWaalsContact O-CG 3.31Å; F645-L649 WeakPolarHBondContact O-CG 3.32Å; F645-L649 PolarHBondContact O-N 3.42Å; G646-L649 PolarHBondContact O-N 3.38Å |
| 650 | M | 88.2 | Confident | 85.9 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.02 | 32% | 0.319 | C | S | . | . | trans | -142.4 | 106.7 | -175.8 | -177.8 | -178.9 | -71.5 | 0 | 0 | 111.5 | F578 F583 L586 G646 V665 L668 | F578-M650 HydrophobicContact CB-CB 4.28Å; F578-M650 HydrophobicContact CB-CE 3.6Å; F578-M650 HydrophobicContact CB-CG 4.46Å; F578-M650 HydrophobicContact CD1-CE 3.71Å; F578-M650 HydrophobicContact CD2-CB 4.49Å; F578-M650 HydrophobicContact CD2-CE 4.42Å; F578-M650 HydrophobicContact CE1-CE 4.48Å; F578-M650 HydrophobicContact CG-CE 3.66Å; F583-M650 HydrophobicContact CD2-CG 3.72Å; F583-M650 HydrophobicContact CD2-SD 3.57Å; F583-M650 VanDerWaalsContact CD2-SD 3.57Å; F583-M650 HydrophobicContact CE2-CG 3.95Å; F583-M650 HydrophobicContact CE2-SD 3.79Å; L586-M650 HydrophobicContact CB-CE 4.38Å; L586-M650 HydrophobicContact CD1-CE 3.59Å; G646-M650 PolarHBondContact O-N 3.45Å; M650-V665 HydrophobicContact CB-CG1 4.14Å; M650-V665 HydrophobicContact CG-CG1 4.48Å; M650-V665 HydrophobicContact CG-CG2 4.43Å; M650-V665 HydrophobicContact SD-CG1 4.36Å; M650-V665 HydrophobicContact SD-CG2 4.02Å; M650-L668 HydrophobicContact CE-CD2 3.66Å; M650-L668 HydrophobicContact SD-CD2 3.91Å | ||
| 651 | S | 82.9 | Confident | 85.3 | Confident | 75 Ų | 75 | 52.5 Ų | 52.5 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 133.5 | 175.2 | -46.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 652 | V | 81.3 | Confident | 85 | Confident | 29 Ų | 29 | 54.2 Ų | 54.2 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 129.8 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | F583 H656 C661 V665 | F583-V652 HydrophobicContact CZ-CB 4.42Å; F583-V652 HydrophobicContact CZ-CG1 4.19Å; F583-V652 HydrophobicContact CZ-CG2 4.34Å; V652-H656 HydrophobicContact CG1-CB 3.96Å; V652-C661 HydrophobicContact CB-CB 4.43Å; V652-C661 HydrophobicContact CG1-CB 3.69Å; V652-C661 HydrophobicContact CG2-CB 3.78Å; V652-V665 HydrophobicContact CG2-CG2 4.43Å |
| 653 | P | 79.4 | Confident | 84.6 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 13% | 0.13 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 147.8 | 176 | -23.7 | 34.9 | 0 | 0 | 0 | 114 | F583 G655 H656 | F583-P653 HydrophobicContact CB-CG 4.2Å; F583-P653 VanDerWaalsContact CD1-CD 3.46Å; F583-P653 HydrophobicContact CD1-CG 3.64Å; F583-P653 HydrophobicContact CD2-CG 4.26Å; F583-P653 HydrophobicContact CE1-CG 4.04Å; F583-P653 HydrophobicContact CG-CG 3.77Å; F583-P653 VanDerWaalsContact CZ-CD 3.47Å; P653-G655 PolarHBondContact O-N 2.9Å; P653-H656 PolarHBondContact O-N 2.88Å |
| 654 | E | 71.1 | Confident | 84.5 | Confident | 173 Ų | 173 | 57 Ų | 57 | 81% | 0.808 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 131.6 | 176 | -68.3 | 152.8 | -116.7 | 0 | 0 | 111.5 | K580 | K580-E654 IonicContact NZ-OE1 2.66Š|
| 655 | G | 67.5 | Low | 84.3 | Confident | 85 Ų | 85 | 55.8 Ų | 55.8 | 88% | 0.876 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105 | -8.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P653 | P653-G655 PolarHBondContact O-N 2.9Š|
| 656 | H | 74 | Confident | 84.2 | Confident | 98 Ų | 98 | 56.6 Ų | 56.6 | 45% | 0.454 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -102.1 | 155.2 | 171.7 | -75.3 | -87.7 | 0 | 0 | 0 | 112.5 | H584 V652 P653 Q658 | H584-H656 AromaticContact CE1-NE2 3.48Å; H584-H656 PolarHBondContact CE1-NE2 3.38Å; V652-H656 HydrophobicContact CG1-CB 3.96Å; P653-H656 PolarHBondContact O-N 2.88Å; H656-Q658 PolarHBondContact O-N 3.04Å |
| 657 | D | 80.7 | Confident | 84.2 | Confident | 96 Ų | 96 | 58.7 Ų | 58.7 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | trans | -69.6 | 114.3 | 172.7 | 173.7 | 44.5 | 0 | 0 | 0 | 110.3 | V659 S660 C661 | D657-V659 VanDerWaalsContact C-N 3.28Å; D657-V659 PolarHBondContact O-N 3.29Å; D657-V659 PolarHBondContact OD1-N 2.96Å; D657-S660 WeakPolarHBondContact OD2-CB 3.33Å; D657-S660 PolarHBondContact OD2-N 3.46Å; D657-C661 VanDerWaalsContact O-CB 3.27Å; D657-C661 WeakPolarHBondContact O-CB 3.49Å; D657-C661 PolarHBondContact O-N 3.32Å | ||
| 658 | Q | 79.7 | Confident | 84.4 | Confident | 141 Ų | 141 | 55.7 Ų | 55.7 | 66% | 0.659 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62 | -36.7 | -175.3 | -168.6 | 173.8 | 4.3 | 0 | 0 | 111.9 | H656 Q662 | H656-Q658 PolarHBondContact O-N 3.04Å; Q658-Q662 VanDerWaalsContact O-CB 3.26Å; Q658-Q662 WeakPolarHBondContact O-CB 3.29Å; Q658-Q662 PolarHBondContact O-N 3.1Å |
| 659 | V | 78.7 | Confident | 84.7 | Confident | 117 Ų | 117 | 54.6 Ų | 54.6 | 71% | 0.709 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -71.6 | -51.5 | -176.4 | -175.6 | 0 | 0 | 0 | 0 | 111 | D657 Q662 | D657-V659 VanDerWaalsContact C-N 3.28Å; D657-V659 PolarHBondContact O-N 3.29Å; D657-V659 PolarHBondContact OD1-N 2.96Å; V659-Q662 PolarHBondContact O-N 2.75Å |
| 660 | S | 78.2 | Confident | 84.8 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 177.8 | -172.5 | 0 | 0 | 0 | 0 | 112.3 | D657 H664 | D657-S660 WeakPolarHBondContact OD2-CB 3.33Å; D657-S660 PolarHBondContact OD2-N 3.46Å; S660-H664 PolarHBondContact O-ND1 3.5Å |
| 661 | C | 85.4 | Confident | 85.1 | Confident | 17 Ų | 17 | 57 Ų | 57 | 12% | 0.115 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.2 | -34.7 | 177.3 | -75.7 | 0 | 0 | 0 | 0 | 112.9 | F583 V652 D657 A663 H664 V665 | F583-C661 HydrophobicContact CZ-CB 4.49Å; V652-C661 HydrophobicContact CB-CB 4.43Å; V652-C661 HydrophobicContact CG1-CB 3.69Å; V652-C661 HydrophobicContact CG2-CB 3.78Å; D657-C661 VanDerWaalsContact O-CB 3.27Å; D657-C661 WeakPolarHBondContact O-CB 3.49Å; D657-C661 PolarHBondContact O-N 3.32Å; C661-A663 VanDerWaalsContact C-N 3.3Å; C661-A663 PolarHBondContact O-N 3.23Å; C661-H664 WeakPolarHBondContact O-CB 3.24Å; C661-H664 PolarHBondContact O-N 3.44Å; C661-H664 VanDerWaalsContact O-N 3.09Å; C661-V665 WeakPolarHBondContact O-CG2 3.35Å; C661-V665 PolarHBondContact O-N 2.97Å |
| 662 | Q | 89.1 | Confident | 85.7 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63 | -35.5 | 179.6 | -166.6 | 61.9 | 56.9 | 0 | 0 | 112.6 | Q658 V659 H664 V665 N666 | Q658-Q662 VanDerWaalsContact O-CB 3.26Å; Q658-Q662 WeakPolarHBondContact O-CB 3.29Å; Q658-Q662 PolarHBondContact O-N 3.1Å; V659-Q662 PolarHBondContact O-N 2.75Å; Q662-H664 VanDerWaalsContact C-N 3.29Å; Q662-H664 PolarHBondContact O-N 3.4Å; Q662-V665 PolarHBondContact O-N 3.39Å; Q662-N666 PolarHBondContact NE2-OD1 2.99Å; Q662-N666 PolarHBondContact O-N 3.46Å; Q662-N666 PolarHBondContact O-OD1 2.93Å; Q662-N666 VanDerWaalsContact O-OD1 3.14Å |
| 663 | A | 88.7 | Confident | 86.4 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 50% | 0.504 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C661 N666 E667 | C661-A663 VanDerWaalsContact C-N 3.3Å; C661-A663 PolarHBondContact O-N 3.23Å; A663-N666 PolarHBondContact O-N 3.22Å; A663-E667 PolarHBondContact O-N 3.04Å; A663-E667 VanDerWaalsContact O-N 3.12Å |
| 664 | H | 91.2 | Very high | 87.1 | Confident | 67 Ų | 67 | 54.6 Ų | 54.6 | 31% | 0.31 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71 | -38.6 | 176.1 | -64.1 | 82.5 | 0 | 0 | 0 | 112 | I587 V590 S660 C661 Q662 N666 L668 | I587-H664 HydrophobicContact CD1-CB 3.88Å; I587-H664 HydrophobicContact CG2-CB 4.24Å; V590-H664 HydrophobicContact CG1-CB 4.37Å; V590-H664 HydrophobicContact CG2-CB 4.43Å; S660-H664 PolarHBondContact O-ND1 3.5Å; C661-H664 WeakPolarHBondContact O-CB 3.24Å; C661-H664 PolarHBondContact O-N 3.44Å; C661-H664 VanDerWaalsContact O-N 3.09Å; Q662-H664 VanDerWaalsContact C-N 3.29Å; Q662-H664 PolarHBondContact O-N 3.4Å; H664-N666 VanDerWaalsContact C-N 3.35Å; H664-L668 VanDerWaalsContact O-CB 3.28Å; H664-L668 WeakPolarHBondContact O-CB 3.46Å; H664-L668 PolarHBondContact O-N 3.03Å |
| 665 | V | 92.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 172.8 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | F583 I587 M650 V652 C661 Q662 L668 I669 | F583-V665 HydrophobicContact CE2-CG2 3.99Å; F583-V665 HydrophobicContact CZ-CG2 4.46Å; I587-V665 HydrophobicContact CD1-CG2 3.85Å; M650-V665 HydrophobicContact CB-CG1 4.14Å; M650-V665 HydrophobicContact CG-CG1 4.48Å; M650-V665 HydrophobicContact CG-CG2 4.43Å; M650-V665 HydrophobicContact SD-CG1 4.36Å; M650-V665 HydrophobicContact SD-CG2 4.02Å; V652-V665 HydrophobicContact CG2-CG2 4.43Å; C661-V665 WeakPolarHBondContact O-CG2 3.35Å; C661-V665 PolarHBondContact O-N 2.97Å; Q662-V665 PolarHBondContact O-N 3.39Å; V665-L668 WeakPolarHBondContact O-CB 3.35Å; V665-L668 PolarHBondContact O-N 3.45Å; V665-I669 HydrophobicContact CG1-CG1 4.35Å; V665-I669 WeakPolarHBondContact O-CG1 3.5Å; V665-I669 PolarHBondContact O-N 2.92Å |
| 666 | N | 93.6 | Very high | 89.4 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 9% | 0.086 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.3 | -44.7 | -179.3 | -64.1 | 0.2 | 0 | 0 | 0 | 111.5 | A642 Q662 A663 H664 L668 I669 K670 | A642-N666 VanDerWaalsContact CB-O 3.31Å; A642-N666 WeakPolarHBondContact CB-O 3.46Å; Q662-N666 PolarHBondContact NE2-OD1 2.99Å; Q662-N666 PolarHBondContact O-N 3.46Å; Q662-N666 PolarHBondContact O-OD1 2.93Å; Q662-N666 VanDerWaalsContact O-OD1 3.14Å; A663-N666 PolarHBondContact O-N 3.22Å; H664-N666 VanDerWaalsContact C-N 3.35Å; N666-L668 VanDerWaalsContact C-N 3.32Å; N666-L668 PolarHBondContact O-N 3.4Å; N666-I669 PolarHBondContact O-N 3.41Å; N666-K670 VanDerWaalsContact O-CB 3.27Å; N666-K670 WeakPolarHBondContact O-CB 3.45Å; N666-K670 PolarHBondContact O-N 3.25Å |
| 667 | E | 92.7 | Very high | 90.2 | Very high | 45 Ų | 45 | 46.2 Ų | 46.2 | 21% | 0.21 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.8 | -32.9 | 176 | 178.4 | 62.2 | -169.3 | 0 | 0 | 112.5 | V590 R598 A663 K670 T671 | V590-E667 HydrophobicContact CG1-CB 4.22Å; V590-E667 HydrophobicContact CG1-CG 3.94Å; R598-E667 IonicContact CZ-OE1 2.81Å; R598-E667 IonicContact NH1-OE1 2.73Å; R598-E667 PolarHBondContact NH1-OE1 3.37Å; R598-E667 IonicContact NH2-OE1 3.1Å; A663-E667 PolarHBondContact O-N 3.04Å; A663-E667 VanDerWaalsContact O-N 3.12Å; E667-K670 IonicContact OE1-NZ 3.78Å; E667-K670 WeakPolarHBondContact OE2-CD 3.27Å; E667-K670 WeakPolarHBondContact OE2-CE 3.47Å; E667-K670 IonicContact OE2-NZ 2.68Å; E667-K670 PolarHBondContact OE2-NZ 2.93Å; E667-T671 WeakPolarHBondContact O-CB 3.29Å; E667-T671 PolarHBondContact O-N 3.19Å; E667-T671 PolarHBondContact O-OG1 3.17Å |
| 668 | L | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -54.6 | 170.1 | 172.8 | 68.5 | 0 | 0 | 0 | 111.6 | L586 V590 I602 M650 H664 V665 N666 K670 T671 I672 | L586-L668 HydrophobicContact CB-CD1 4.38Å; L586-L668 HydrophobicContact CB-CD2 3.77Å; V590-L668 HydrophobicContact CG2-CB 3.95Å; I602-L668 HydrophobicContact CD1-CD1 3.57Å; I602-L668 HydrophobicContact CG1-CD1 3.86Å; M650-L668 HydrophobicContact CE-CD2 3.66Å; M650-L668 HydrophobicContact SD-CD2 3.91Å; H664-L668 VanDerWaalsContact O-CB 3.28Å; H664-L668 WeakPolarHBondContact O-CB 3.46Å; H664-L668 PolarHBondContact O-N 3.03Å; V665-L668 WeakPolarHBondContact O-CB 3.35Å; V665-L668 PolarHBondContact O-N 3.45Å; N666-L668 VanDerWaalsContact C-N 3.32Å; N666-L668 PolarHBondContact O-N 3.4Å; L668-K670 VanDerWaalsContact C-N 3.32Å; L668-K670 PolarHBondContact O-N 2.93Å; L668-T671 WeakPolarHBondContact O-CA 3.34Å; L668-T671 VanDerWaalsContact O-CB 3.31Å; L668-T671 WeakPolarHBondContact O-CB 3.45Å; L668-T671 PolarHBondContact O-N 2.96Å; L668-T671 VanDerWaalsContact O-N 3.08Å; L668-I672 HydrophobicContact CD1-CD1 4.21Å; L668-I672 HydrophobicContact CG-CD1 4.22Å; L668-I672 WeakPolarHBondContact O-CG1 3.49Å; L668-I672 PolarHBondContact O-N 3.38Å |
| 669 | I | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -40 | -178.4 | -66.6 | -48.3 | 0 | 0 | 0 | 111.1 | F578 F621 A642 F645 V665 N666 T671 I672 I673 | F578-I669 HydrophobicContact CE2-CD1 3.82Å; F578-I669 HydrophobicContact CZ-CD1 3.91Å; F621-I669 HydrophobicContact CE1-CG2 4.13Å; F621-I669 HydrophobicContact CZ-CD1 4.29Å; A642-I669 HydrophobicContact CB-CB 4.04Å; A642-I669 HydrophobicContact CB-CG2 3.87Å; F645-I669 HydrophobicContact CB-CG2 4.42Å; V665-I669 HydrophobicContact CG1-CG1 4.35Å; V665-I669 WeakPolarHBondContact O-CG1 3.5Å; V665-I669 PolarHBondContact O-N 2.92Å; N666-I669 PolarHBondContact O-N 3.41Å; I669-T671 PolarHBondContact O-N 2.98Å; I669-I672 HydrophobicContact CD1-CD1 4.22Å; I669-I672 PolarHBondContact O-N 2.99Å; I669-I672 VanDerWaalsContact O-N 3.08Å; I669-I673 HydrophobicContact CG2-CD1 4.06Å; I669-I673 HydrophobicContact CG2-CG1 4.5Å; I669-I673 WeakPolarHBondContact O-CG1 3.35Å; I669-I673 PolarHBondContact O-N 3.01Å |
| 670 | K | 95.3 | Very high | 92 | Very high | 57 Ų | 57 | 31.4 Ų | 31.4 | 25% | 0.248 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.7 | -44.7 | 171 | 169.5 | -178.6 | 154.5 | -150 | 0 | 112.1 | P638 Y639 A642 N666 E667 L668 I672 I673 I674 | P638-K670 HydrophobicContact CB-CG 4.44Å; Y639-K670 HydrophobicContact CD2-CD 3.91Å; Y639-K670 HydrophobicContact CG-CD 4.45Å; A642-K670 HydrophobicContact CB-CB 3.74Å; N666-K670 VanDerWaalsContact O-CB 3.27Å; N666-K670 WeakPolarHBondContact O-CB 3.45Å; N666-K670 PolarHBondContact O-N 3.25Å; E667-K670 IonicContact OE1-NZ 3.78Å; E667-K670 WeakPolarHBondContact OE2-CD 3.27Å; E667-K670 WeakPolarHBondContact OE2-CE 3.47Å; E667-K670 IonicContact OE2-NZ 2.68Å; E667-K670 PolarHBondContact OE2-NZ 2.93Å; L668-K670 VanDerWaalsContact C-N 3.32Å; L668-K670 PolarHBondContact O-N 2.93Å; K670-I672 VanDerWaalsContact C-N 3.26Å; K670-I672 PolarHBondContact O-N 3.25Å; K670-I673 PolarHBondContact O-N 3.15Å; K670-I674 HydrophobicContact CG-CD1 3.8Å; K670-I674 WeakPolarHBondContact O-CG1 3.33Å; K670-I674 PolarHBondContact O-N 3Å |
| 671 | T | 94.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.7 | -41.9 | 174.1 | -54.8 | 0 | 0 | 0 | 0 | 110.5 | R598 I602 E667 L668 I669 H675 | R598-T671 WeakPolarHBondContact CD-OG1 3.44Å; R598-T671 HydrophobicContact CG-CG2 4.1Å; R598-T671 PolarHBondContact NH1-OG1 2.87Å; R598-T671 VanDerWaalsContact NH1-OG1 3.11Å; I602-T671 HydrophobicContact CD1-CG2 3.83Å; E667-T671 WeakPolarHBondContact O-CB 3.29Å; E667-T671 PolarHBondContact O-N 3.19Å; E667-T671 PolarHBondContact O-OG1 3.17Å; L668-T671 WeakPolarHBondContact O-CA 3.34Å; L668-T671 VanDerWaalsContact O-CB 3.31Å; L668-T671 WeakPolarHBondContact O-CB 3.45Å; L668-T671 PolarHBondContact O-N 2.96Å; L668-T671 VanDerWaalsContact O-N 3.08Å; I669-T671 PolarHBondContact O-N 2.98Å; T671-H675 WeakPolarHBondContact O-CB 3.41Å; T671-H675 PolarHBondContact O-N 2.83Å |
| 672 | I | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.3 | -38.4 | -179.9 | -59.6 | 171.6 | 0 | 0 | 0 | 112.2 | F578 I602 F621 L668 I669 K670 H676 I679 F680 | F578-I672 HydrophobicContact CE1-CD1 3.82Å; F578-I672 HydrophobicContact CZ-CD1 3.74Å; I602-I672 HydrophobicContact CD1-CG1 4.36Å; I602-I672 HydrophobicContact CG2-CD1 4.09Å; I602-I672 HydrophobicContact CG2-CG1 4.01Å; F621-I672 HydrophobicContact CB-CG2 4.38Å; F621-I672 HydrophobicContact CD1-CB 4.24Å; F621-I672 HydrophobicContact CD1-CG2 3.61Å; F621-I672 HydrophobicContact CD2-CG2 3.66Å; F621-I672 HydrophobicContact CE1-CB 4.03Å; F621-I672 HydrophobicContact CE1-CG2 3.69Å; F621-I672 HydrophobicContact CE2-CG2 3.74Å; F621-I672 HydrophobicContact CG-CG2 3.61Å; F621-I672 HydrophobicContact CZ-CB 4.29Å; F621-I672 HydrophobicContact CZ-CG2 3.76Å; L668-I672 HydrophobicContact CD1-CD1 4.21Å; L668-I672 HydrophobicContact CG-CD1 4.22Å; L668-I672 WeakPolarHBondContact O-CG1 3.49Å; L668-I672 PolarHBondContact O-N 3.38Å; I669-I672 HydrophobicContact CD1-CD1 4.22Å; I669-I672 PolarHBondContact O-N 2.99Å; I669-I672 VanDerWaalsContact O-N 3.08Å; K670-I672 VanDerWaalsContact C-N 3.26Å; K670-I672 PolarHBondContact O-N 3.25Å; I672-H676 WeakPolarHBondContact O-CA 3.39Å; I672-H676 WeakPolarHBondContact O-CB 3.45Å; I672-H676 PolarHBondContact O-N 3.09Å; I672-H676 VanDerWaalsContact O-N 3.07Å; I672-I679 HydrophobicContact CB-CD1 4.37Å; I672-I679 HydrophobicContact CG1-CD1 4.16Å; I672-F680 HydrophobicContact CG2-CE2 3.67Å; I672-F680 HydrophobicContact CG2-CZ 3.74Å |
| 673 | I | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | 174.6 | -65.6 | 165 | 0 | 0 | 0 | 110.8 | F621 L624 N625 P638 L641 A642 I669 K670 H676 | F621-I673 HydrophobicContact CD1-CG1 3.74Å; F621-I673 HydrophobicContact CE1-CG1 3.9Å; L624-I673 HydrophobicContact CB-CG1 4.2Å; L624-I673 HydrophobicContact CB-CG2 4.42Å; L624-I673 HydrophobicContact CD1-CD1 4.49Å; L624-I673 HydrophobicContact CD1-CG1 4.46Å; N625-I673 PolarHBondContact ND2-O 3.33Å; P638-I673 HydrophobicContact CB-CB 4.49Å; P638-I673 HydrophobicContact CB-CG2 4.02Å; L641-I673 HydrophobicContact CB-CD1 3.95Å; A642-I673 HydrophobicContact CB-CD1 4.29Å; I669-I673 HydrophobicContact CG2-CD1 4.06Å; I669-I673 HydrophobicContact CG2-CG1 4.5Å; I669-I673 WeakPolarHBondContact O-CG1 3.35Å; I669-I673 PolarHBondContact O-N 3.01Å; K670-I673 PolarHBondContact O-N 3.15Å; I673-H676 PolarHBondContact O-CD2 3.38Å |
| 674 | I | 94.5 | Very high | 90.5 | Very high | 72 Ų | 72 | 40.4 Ų | 40.4 | 37% | 0.369 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -69.4 | -36.9 | -177.4 | -65.7 | 168.6 | 0 | 0 | 0 | 111.6 | P638 K670 | P638-I674 HydrophobicContact CB-CD1 4.14Å; P638-I674 HydrophobicContact CB-CG1 3.8Å; P638-I674 HydrophobicContact CG-CG1 4.07Å; K670-I674 HydrophobicContact CG-CD1 3.8Å; K670-I674 WeakPolarHBondContact O-CG1 3.33Å; K670-I674 PolarHBondContact O-N 3Å |
| 675 | H | 93.6 | Very high | 89.9 | Confident | 37 Ų | 37 | 43.4 Ų | 43.4 | 17% | 0.171 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 25.8 | -171.2 | -68.8 | -62.3 | 0 | 0 | 0 | 114.1 | A599 T671 D677 S678 I679 | A599-H675 HydrophobicContact CB-CB 4Å; T671-H675 WeakPolarHBondContact O-CB 3.41Å; T671-H675 PolarHBondContact O-N 2.83Å; H675-D677 VanDerWaalsContact C-N 3.33Å; H675-D677 PolarHBondContact O-N 2.91Å; H675-S678 WeakPolarHBondContact CB-OG 3.21Å; H675-S678 CarbonylContact O-C 3.56Å; H675-S678 PolarHBondContact O-N 3Å; H675-S678 PolarHBondContact O-OG 2.75Å; H675-I679 HydrophobicContact CB-CD1 3.79Å; H675-I679 HydrophobicContact CB-CG1 4.3Å; H675-I679 WeakPolarHBondContact O-CB 3.32Å; H675-I679 WeakPolarHBondContact O-CG1 3.28Å; H675-I679 PolarHBondContact O-N 3.02Å |
| 676 | H | 93.2 | Very high | 89.4 | Confident | 28 Ų | 28 | 44.3 Ų | 44.3 | 13% | 0.13 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -53.8 | -44.1 | -173.2 | 68.1 | 88.4 | 0 | 0 | 0 | 113.5 | F621 N625 I672 I673 S678 I679 F680 | F621-H676 HydrophobicContact CB-CB 3.95Å; N625-H676 WeakPolarHBondContact CB-CD2 3.31Å; N625-H676 VanDerWaalsContact CG-CD2 3.46Å; N625-H676 PolarHBondContact ND2-CD2 2.67Å; I672-H676 WeakPolarHBondContact O-CA 3.39Å; I672-H676 WeakPolarHBondContact O-CB 3.45Å; I672-H676 PolarHBondContact O-N 3.09Å; I672-H676 VanDerWaalsContact O-N 3.07Å; I673-H676 PolarHBondContact O-CD2 3.38Å; H676-S678 VanDerWaalsContact C-N 3.34Å; H676-S678 PolarHBondContact O-N 3.2Å; H676-I679 PolarHBondContact O-N 2.86Å; H676-I679 VanDerWaalsContact O-N 3.12Å; H676-F680 HydrophobicContact CB-CD2 4.04Å; H676-F680 HydrophobicContact CB-CE2 4.26Å; H676-F680 VanDerWaalsContact O-CD2 3.3Å; H676-F680 WeakPolarHBondContact O-CD2 3.4Å; H676-F680 PolarHBondContact O-N 3.44Å |
| 677 | D | 90.6 | Very high | 88.7 | Confident | 116 Ų | 116 | 48.7 Ų | 48.7 | 62% | 0.62 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65.1 | -36.1 | 178 | -68.3 | -34.7 | 0 | 0 | 0 | 112.9 | R603 H675 I679 | R603-D677 PolarHBondContact NH2-O 2.99Å; H675-D677 VanDerWaalsContact C-N 3.33Å; H675-D677 PolarHBondContact O-N 2.91Å; D677-I679 VanDerWaalsContact C-N 3.27Å; D677-I679 PolarHBondContact O-N 3.32Å |
| 678 | S | 90.8 | Very high | 88.1 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -82.1 | -5.3 | 176.5 | 81.7 | 0 | 0 | 0 | 0 | 113.1 | R603 H675 H676 | R603-S678 VanDerWaalsContact CZ-O 3.25Å; R603-S678 PolarHBondContact NE-O 3.39Å; R603-S678 PolarHBondContact NH2-O 3.35Å; H675-S678 WeakPolarHBondContact CB-OG 3.21Å; H675-S678 CarbonylContact O-C 3.56Å; H675-S678 PolarHBondContact O-N 3Å; H675-S678 PolarHBondContact O-OG 2.75Å; H676-S678 VanDerWaalsContact C-N 3.34Å; H676-S678 PolarHBondContact O-N 3.2Å |
| 679 | I | 93.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -105.1 | -44.4 | 177 | -70.6 | 166.2 | 0 | 0 | 0 | 113.4 | A599 I602 R603 L606 I672 H675 H676 D677 | A599-I679 HydrophobicContact CB-CD1 4.04Å; A599-I679 HydrophobicContact CB-CG1 3.84Å; I602-I679 HydrophobicContact CG2-CD1 4.28Å; I602-I679 HydrophobicContact CG2-CG2 3.94Å; R603-I679 WeakPolarHBondContact CB-O 3.48Å; R603-I679 VanDerWaalsContact CG-O 3.28Å; R603-I679 WeakPolarHBondContact CG-O 3.49Å; R603-I679 VanDerWaalsContact CZ-C 3.4Å; R603-I679 PolarHBondContact NE-O 2.62Å; R603-I679 PolarHBondContact NH1-O 2.9Å; L606-I679 HydrophobicContact CD1-CG2 3.93Å; I672-I679 HydrophobicContact CB-CD1 4.37Å; I672-I679 HydrophobicContact CG1-CD1 4.16Å; H675-I679 HydrophobicContact CB-CD1 3.79Å; H675-I679 HydrophobicContact CB-CG1 4.3Å; H675-I679 WeakPolarHBondContact O-CB 3.32Å; H675-I679 WeakPolarHBondContact O-CG1 3.28Å; H675-I679 PolarHBondContact O-N 3.02Å; H676-I679 PolarHBondContact O-N 2.86Å; H676-I679 VanDerWaalsContact O-N 3.12Å; D677-I679 VanDerWaalsContact C-N 3.27Å; D677-I679 PolarHBondContact O-N 3.32Å |
| 680 | F | 92.3 | Very high | 87 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.022 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -93.3 | 155.6 | -176.1 | -62.1 | -67.5 | 0 | 0 | 0 | 112.9 | R603 L606 L614 M617 R618 F621 I672 H676 | R603-F680 VanDerWaalsContact CZ-O 3.28Å; R603-F680 PolarHBondContact NH1-O 3.39Å; R603-F680 PolarHBondContact NH2-O 2.64Å; L606-F680 HydrophobicContact CD1-CE1 3.88Å; L606-F680 HydrophobicContact CD1-CZ 4.13Å; L614-F680 HydrophobicContact CD2-CD1 4.26Å; L614-F680 HydrophobicContact CD2-CE1 4.36Å; M617-F680 HydrophobicContact CB-CD1 4.22Å; M617-F680 HydrophobicContact CB-CE1 3.49Å; M617-F680 VanDerWaalsContact CB-CE1 3.49Å; M617-F680 HydrophobicContact CB-CZ 3.75Å; M617-F680 HydrophobicContact CG-CE1 4.28Å; M617-F680 HydrophobicContact SD-CE1 3.84Å; M617-F680 HydrophobicContact SD-CZ 4.33Å; R618-F680 HydrophobicContact CB-CB 4Å; R618-F680 HydrophobicContact CB-CG 4.11Å; R618-F680 HydrophobicContact CG-CB 3.95Å; R618-F680 HydrophobicContact CG-CG 4.5Å; F621-F680 HydrophobicContact CB-CD2 4.49Å; F621-F680 HydrophobicContact CB-CE2 3.76Å; F621-F680 AromaticContact CD2-CE2 3.71Å; F621-F680 HydrophobicContact CD2-CE2 3.71Å; F621-F680 AromaticContact CD2-CZ 3.63Å; F621-F680 HydrophobicContact CD2-CZ 3.63Å; F621-F680 HydrophobicContact CE2-CZ 4.24Å; F621-F680 AromaticContact CG-CE2 3.97Å; F621-F680 HydrophobicContact CG-CE2 3.97Å; F621-F680 HydrophobicContact CG-CZ 4.35Å; I672-F680 HydrophobicContact CG2-CE2 3.67Å; I672-F680 HydrophobicContact CG2-CZ 3.74Å; H676-F680 HydrophobicContact CB-CD2 4.04Å; H676-F680 HydrophobicContact CB-CE2 4.26Å; H676-F680 VanDerWaalsContact O-CD2 3.3Å; H676-F680 WeakPolarHBondContact O-CD2 3.4Å; H676-F680 PolarHBondContact O-N 3.44Å |
| 681 | P | 85.2 | Confident | 86.7 | Confident | 20 Ų | 20 | 51 Ų | 51 | 13% | 0.13 | 29% | 0.288 | C | S | . | . | trans | -79.2 | 143.3 | 178.6 | -7.9 | 25.9 | 0 | 0 | 0 | 111.8 | R618 D685 L686 | R618-P681 WeakPolarHBondContact CD-O 3.31Å; R618-P681 PolarHBondContact NH1-O 2.89Å; P681-D685 HydrophobicContact CB-CB 3.57Å; P681-L686 HydrophobicContact CB-CB 3.84Å; P681-L686 HydrophobicContact CG-CB 4.23Å; P681-L686 HydrophobicContact CG-CD2 4.08Å | ||
| 682 | G | 78.6 | Confident | 86.2 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 34% | 0.34 | 32% | 0.32 | S | S | . | . | trans | -75.2 | -177.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R618 Q684 D685 L686 | R618-G682 PolarHBondContact NH1-O 3.37Å; G682-Q684 PolarHBondContact O-N 3.37Å; G682-D685 PolarHBondContact N-OD2 3.04Å; G682-D685 PolarHBondContact O-N 3.3Å; G682-D685 VanDerWaalsContact O-N 3.15Å; G682-L686 PolarHBondContact O-N 3.28Å | ||
| 683 | L | 74.3 | Confident | 85.6 | Confident | 118 Ų | 118 | 59.5 Ų | 59.5 | 62% | 0.618 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.9 | 176.3 | -90 | 159 | 0 | 0 | 0 | 113.8 | I690 | L683-I690 HydrophobicContact CD1-CD1 4.02Å; L683-I690 HydrophobicContact CD2-CD1 4.49Å; L683-I690 HydrophobicContact CG-CD1 3.67Å; L683-I690 HydrophobicContact CG-CG1 4.19Å |
| 684 | Q | 72.8 | Confident | 84.1 | Confident | 196 Ų | 196 | 62.9 Ų | 62.9 | 92% | 0.916 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -30.9 | 180 | -58.6 | -176.1 | 27.5 | 0 | 0 | 112.6 | G682 | G682-Q684 PolarHBondContact O-N 3.37Š|
| 685 | D | 78.1 | Confident | 82.5 | Confident | 130 Ų | 130 | 63.5 Ų | 63.5 | 70% | 0.695 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -31.4 | -177.1 | -55.4 | -57.5 | 0 | 0 | 0 | 113 | P681 G682 | P681-D685 HydrophobicContact CB-CB 3.57Å; G682-D685 PolarHBondContact N-OD2 3.04Å; G682-D685 PolarHBondContact O-N 3.3Å; G682-D685 VanDerWaalsContact O-N 3.15Å |
| 686 | L | 82.5 | Confident | 80.1 | Confident | 19 Ų | 19 | 65.3 Ų | 65.3 | 10% | 0.099 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -140.2 | 96.8 | -174.6 | 179.7 | 60.8 | 0 | 0 | 0 | 110.3 | L614 I615 R618 P681 G682 | L614-L686 HydrophobicContact CB-CD2 3.77Å; I615-L686 HydrophobicContact CD1-CD1 4.35Å; I615-L686 HydrophobicContact CG1-CD1 4.16Å; I615-L686 HydrophobicContact CG1-CD2 4.01Å; I615-L686 HydrophobicContact CG1-CG 3.97Å; R618-L686 PolarHBondContact NH1-O 3.26Å; R618-L686 PolarHBondContact NH2-O 2.93Å; P681-L686 HydrophobicContact CB-CB 3.84Å; P681-L686 HydrophobicContact CG-CB 4.23Å; P681-L686 HydrophobicContact CG-CD2 4.08Å; G682-L686 PolarHBondContact O-N 3.28Å |
| 687 | S | 78.7 | Confident | 77.4 | Confident | 107 Ų | 107 | 67.1 Ų | 67.1 | 75% | 0.748 | 43% | 0.43 | S | S | * | . | trans | -64.6 | 135.8 | 174 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | I615 | I615-S687 WeakPolarHBondContact CD1-O 3.44Š| ||
| 688 | G | 80.7 | Confident | 74.5 | Confident | 20 Ų | 20 | 69.3 Ų | 69.3 | 21% | 0.206 | 44% | 0.442 | C | S | . | . | S | Bend | trans | 148.6 | 167.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R618 | R618-G688 PolarHBondContact NH2-O 3.27Š|
| 689 | P | 83.1 | Confident | 71.9 | Confident | 50 Ų | 50 | 75.9 Ų | 75.9 | 33% | 0.325 | 48% | 0.475 | S | S | . | . | trans | -55.8 | 154.7 | 177.1 | 23.8 | -34.8 | 0 | 0 | 0 | 112.8 | A504 I505 I615 R618 | A504-P689 HydrophobicContact CB-CG 3.97Å; I505-P689 HydrophobicContact CD1-CB 3.73Å; I505-P689 HydrophobicContact CD1-CG 3.37Å; I505-P689 HydrophobicContact CG1-CG 3.71Å; I615-P689 HydrophobicContact CG2-CG 3.91Å; R618-P689 PolarHBondContact NH2-O 2.95Å | ||
| 690 | I | 84.4 | Confident | 68.9 | Low | 62 Ų | 62 | 85 Ų | 85 | 32% | 0.318 | 52% | 0.515 | S | S | . | . | trans | -129 | 146.8 | 170.3 | -73.6 | -159.9 | 0 | 0 | 0 | 107.3 | L683 T692 | L683-I690 HydrophobicContact CD1-CD1 4.02Å; L683-I690 HydrophobicContact CD2-CD1 4.49Å; L683-I690 HydrophobicContact CG-CD1 3.67Å; L683-I690 HydrophobicContact CG-CG1 4.19Å; I690-T692 PolarHBondContact O-N 2.66Å | ||
| 691 | Y | 88.4 | Confident | 66.1 | Low | 18 Ų | 18 | 89.4 Ų | 89.4 | 7% | 0.071 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 116.5 | 172.7 | 172.1 | -100.2 | 0 | 0 | 0 | 109 | I513 S517 Y619 A622 F623 H626 I693 | I513-Y691 HydrophobicContact CG2-CD2 3.81Å; I513-Y691 HydrophobicContact CG2-CE2 3.77Å; S517-Y691 WeakPolarHBondContact CB-OH 3.33Å; S517-Y691 PolarHBondContact OG-OH 2.86Å; Y619-Y691 VanDerWaalsContact CD2-N 3.28Å; Y619-Y691 HydrophobicContact CE1-CD2 4.41Å; Y619-Y691 HydrophobicContact CE2-CD2 4.38Å; A622-Y691 HydrophobicContact CB-CD1 4.17Å; F623-Y691 HydrophobicContact CB-CD1 4.21Å; F623-Y691 HydrophobicContact CB-CD2 4.01Å; F623-Y691 HydrophobicContact CB-CE1 4.25Å; F623-Y691 HydrophobicContact CB-CE2 4.06Å; F623-Y691 HydrophobicContact CB-CG 4.09Å; F623-Y691 AromaticContact CD2-CE2 3.94Å; F623-Y691 HydrophobicContact CD2-CE2 3.94Å; F623-Y691 AromaticContact CD2-CZ 3.89Å; F623-Y691 HydrophobicContact CG-CE2 4.44Å; H626-Y691 HydrophobicContact CB-CE1 3.79Å; H626-Y691 AromaticContact ND1-CE1 3.81Å; H626-Y691 AromaticContact ND1-CZ 3.76Å; H626-Y691 PolarHBondContact ND1-OH 2.83Å; Y691-I693 HydrophobicContact CE1-CG1 4.16Å |
| 692 | T | 84.3 | Confident | 63.2 | Low | 112 Ų | 112 | 96 Ų | 96 | 69% | 0.687 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 136 | 174.1 | 45.2 | 0 | 0 | 0 | 0 | 109.9 | I690 P694 | I690-T692 PolarHBondContact O-N 2.66Å; T692-P694 WeakPolarHBondContact O-CD 3.38Å |
| 693 | I | 82.3 | Confident | 60.8 | Low | 68 Ų | 68 | 99.4 Ų | 99.4 | 35% | 0.349 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -70.5 | 121.9 | 176.8 | -68.1 | 172.5 | 0 | 0 | 0 | 108.8 | H626 Y691 G695 A696 | H626-I693 HydrophobicContact CB-CD1 4.47Å; H626-I693 HydrophobicContact CB-CG1 4.37Å; H626-I693 WeakPolarHBondContact NE2-CG2 3.48Å; Y691-I693 HydrophobicContact CE1-CG1 4.16Å; I693-G695 PolarHBondContact O-N 3.19Å; I693-A696 HydrophobicContact CB-CB 3.82Å; I693-A696 HydrophobicContact CG2-CB 3.88Å; I693-A696 PolarHBondContact O-N 3.08Å |
| 694 | P | 66 | Low | 59 | Low | 71 Ų | 71 | 99 Ų | 99 | 46% | 0.461 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.9 | 122 | 175.3 | -23.2 | 35.3 | 0 | 0 | 0 | 110.9 | S517 T692 | S517-P694 WeakPolarHBondContact OG-CD 3.24Å; S517-P694 WeakPolarHBondContact OG-CG 3.33Å; T692-P694 WeakPolarHBondContact O-CD 3.38Å |
| 695 | G | 59.2 | Low | 56.8 | Low | 85 Ų | 85 | 98.7 Ų | 98.7 | 88% | 0.876 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.7 | -6.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | I693 G697 | I693-G695 PolarHBondContact O-N 3.19Å; G695-G697 VanDerWaalsContact C-N 3.34Å; G695-G697 PolarHBondContact O-N 3.49Å; G695-G697 VanDerWaalsContact O-N 3.08Å |
| 696 | A | 44.1 | Very low | 54.2 | Low | 76 Ų | 76 | 98.2 Ų | 98.2 | 63% | 0.628 | 61% | 0.606 | S | S | * | * | trans | -86.5 | 58 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | I693 | I693-A696 HydrophobicContact CB-CB 3.82Å; I693-A696 HydrophobicContact CG2-CB 3.88Å; I693-A696 PolarHBondContact O-N 3.08Å | ||
| 697 | G | 35.8 | Very low | 51.5 | Low | 65 Ų | 65 | 106.6 Ų | 106.6 | 67% | 0.67 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 94.5 | 155.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | G695 | G695-G697 VanDerWaalsContact C-N 3.34Å; G695-G697 PolarHBondContact O-N 3.49Å; G695-G697 VanDerWaalsContact O-N 3.08Å |
| 698 | D | 30.8 | Very low | 49.4 | Very low | 162 Ų | 162 | 106.8 Ų | 106.8 | 87% | 0.866 | 64% | 0.643 | S | S | * | * | trans | 55.3 | 72 | 163.9 | -64.2 | -1.1 | 0 | 0 | 0 | 119.6 | F700 | D698-F700 VanDerWaalsContact C-N 3.26Å; D698-F700 PolarHBondContact O-N 3.37Å | ||
| 699 | D | 35.2 | Very low | 47.2 | Very low | 174 Ų | 174 | 110.9 Ų | 110.9 | 93% | 0.93 | 67% | 0.666 | S | S | * | * | trans | -66.1 | 80.7 | 152.6 | -105.8 | -43.9 | 0 | 0 | 0 | 110.8 | ||||
| 700 | F | 31.3 | Very low | 44.6 | Very low | 195 Ų | 195 | 116 Ų | 116 | 86% | 0.855 | 69% | 0.69 | S | S | * | * | trans | -133.8 | 74.4 | 169 | -119.3 | -81.2 | 0 | 0 | 0 | 113.9 | D698 | D698-F700 VanDerWaalsContact C-N 3.26Å; D698-F700 PolarHBondContact O-N 3.37Å | ||
| 701 | C | 33.2 | Very low | 41.9 | Very low | 97 Ų | 97 | 118.5 Ų | 118.5 | 66% | 0.655 | 71% | 0.708 | S | S | * | * | trans | 37.3 | 123.7 | 146.4 | -169.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 702 | N | 23.9 | Very low | 39 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | trans | -136.2 | 94.1 | 143.1 | -102.3 | -78.8 | 0 | 0 | 0 | 111.5 | ||||
| 703 | S | 28.2 | Very low | 36.1 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -142.2 | 111 | 159.8 | -80.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 704 | P | 36.6 | Very low | 34 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | trans | -92.3 | 119 | -163.8 | 32.6 | -33.5 | 0 | 0 | 0 | 113.4 | ||||
| 705 | Q | 27.1 | Very low | 31.9 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | -172.7 | 148.6 | 134.7 | -104.7 | 154.8 | 53.8 | 0 | 0 | 114.1 | ||||
| 706 | C | 23 | Very low | 31.6 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 65.1 | 87.5 | 165 | -63.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 707 | E | 26.3 | Very low | 30.7 | Very low | 195 Ų | 195 | 135.8 Ų | 135.8 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | 30.6 | 156.7 | 121.7 | -71.1 | -155.7 | 121 | 0 | 0 | 124.3 | |||||
| 708 | P | 33.7 | Very low | 30.3 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | trans | -124.7 | -146.8 | -152.8 | 47.7 | -31.2 | 0 | 0 | 0 | 111.2 | ||||
| 709 | P | 35.4 | Very low | 30 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | cis | -124.3 | -178.5 | -26.3 | 39.8 | -25.7 | 0 | 0 | 0 | 112.8 | ||||
| 710 | L | 27.2 | Very low | 29.5 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | 177.9 | 119.6 | 129.5 | -96.7 | 160 | 0 | 0 | 0 | 114 | |||||
| 711 | V | 28.1 | Very low | 29.3 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | trans | 4.5 | 133.6 | 133.5 | -168.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 712 | E | 27.3 | Very low | 28.9 | Very low | 186 Ų | 186 | 130 Ų | 130 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | cis | -161.5 | 167.8 | 46.3 | -145.8 | 147.8 | -143.9 | 0 | 0 | 113.8 | ||||
| 713 | E | 24 | Very low | 29.1 | Very low | 172 Ų | 172 | 130.1 Ų | 130.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -100.9 | 178.7 | 166.5 | -105.6 | -136.1 | 130.9 | 0 | 0 | 110.5 | ||||
| 714 | P | 37.7 | Very low | 29 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | cis | -136.4 | 172 | -16.4 | 34.7 | -15.6 | 0 | 0 | 0 | 116 | ||||
| 715 | A | 23 | Very low | 28.7 | Very low | 89 Ų | 89 | 130 Ų | 130 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | 63.5 | -173.9 | 148.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 716 | P | 52.9 | Low | 29 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | -129.5 | -157.3 | -80.2 | 41.4 | -26.2 | 0 | 0 | 0 | 114.8 | |||||
| 717 | D | 25.2 | Very low | 29.4 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | 95.3 | 115.1 | 154.7 | -69.7 | -17.5 | 0 | 0 | 0 | 123.6 | ||||
| 718 | T | 26.1 | Very low | 29.5 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | 83.1 | 112.4 | 133.5 | 59.2 | 0 | 0 | 0 | 0 | 125 | ||||
| 719 | V | 24.3 | Very low | 29.1 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | 54.9 | 111.2 | 123.5 | -174 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 720 | S | 26.3 | Very low | 29.2 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | 170.8 | 115.8 | 117.6 | 38.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 721 | V | 26.4 | Very low | 29.2 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | 57.2 | 103.1 | 87 | -177 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 722 | S | 25.4 | Very low | 29.4 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | -162.5 | 134.1 | 89.7 | -63 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 723 | H | 26.8 | Very low | 29.5 | Very low | 160 Ų | 160 | 122.1 Ų | 122.1 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | 44.7 | 126 | 91.5 | -64.5 | -69.5 | 0 | 0 | 0 | 114.4 | |||||
| 724 | N | 26.7 | Very low | 30.2 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | cis | -151.6 | -174.4 | 3.9 | -125.2 | 45.1 | 0 | 0 | 0 | 107.5 | ||||
| 725 | S | 30.6 | Very low | 30.4 | Very low | 83 Ų | 83 | 122.7 Ų | 122.7 | 58% | 0.58 | 74% | 0.744 | S | S | * | * | cis | -168.7 | 178.3 | 16.7 | -105.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 726 | E | 33.2 | Very low | 31.7 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | cis | -178.5 | 149 | -27.1 | 69.8 | -165.8 | 48.6 | 0 | 0 | 105 | ||||
| 727 | D | 31.4 | Very low | 32.4 | Very low | 169 Ų | 169 | 124.6 Ų | 124.6 | 90% | 0.904 | 73% | 0.734 | S | S | * | * | cis | -157.2 | 172.9 | -19.9 | -147.9 | 40.6 | 0 | 0 | 0 | 107.2 | ||||
| 728 | G | 27.4 | Very low | 35.3 | Very low | 54 Ų | 54 | 120.4 Ų | 120.4 | 56% | 0.557 | 71% | 0.714 | S | S | * | * | cis | -176.4 | 161.8 | 4.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 729 | T | 26.1 | Very low | 38.3 | Very low | 133 Ų | 133 | 120.2 Ų | 120.2 | 82% | 0.816 | 70% | 0.704 | S | S | * | * | trans | -147.7 | 145.4 | 173.2 | -26.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 730 | L | 37 | Very low | 41.4 | Very low | 161 Ų | 161 | 114.2 Ų | 114.2 | 84% | 0.843 | 67% | 0.668 | S | S | * | * | trans | 69 | 120.3 | 166.8 | -51.4 | 179.3 | 0 | 0 | 0 | 119.7 | ||||
| 731 | A | 27.6 | Very low | 44.6 | Very low | 95 Ų | 95 | 110.7 Ų | 110.7 | 79% | 0.785 | 64% | 0.642 | S | S | * | * | -142.4 | 123.8 | 127.8 | 0 | 0 | 0 | 0 | 0 | 104.9 | |||||
| 732 | V | 31.9 | Very low | 47.8 | Very low | 120 Ų | 120 | 105.4 Ų | 105.4 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | 60.4 | 100.9 | 57.2 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 733 | S | 30.7 | Very low | 50.8 | Low | 115 Ų | 115 | 104.4 Ų | 104.4 | 80% | 0.804 | 59% | 0.593 | S | S | * | * | trans | -125.5 | 117.6 | 153.6 | -69.5 | 0 | 0 | 0 | 0 | 107.5 | S735 | S733-S735 PolarHBondContact O-N 2.9Š| ||
| 734 | E | 37.9 | Very low | 53.6 | Low | 185 Ų | 185 | 101.7 Ų | 101.7 | 86% | 0.864 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 130.9 | 162.5 | -63.1 | 174.9 | 135.9 | 0 | 0 | 107.4 | ||
| 735 | S | 41.2 | Very low | 56.6 | Low | 98 Ų | 98 | 99.4 Ų | 99.4 | 69% | 0.685 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 131.7 | 175.6 | -61.9 | 0 | 0 | 0 | 0 | 108.6 | S733 | S733-S735 PolarHBondContact O-N 2.9Š|
| 736 | E | 50.9 | Low | 59.5 | Low | 172 Ų | 172 | 96.3 Ų | 96.3 | 80% | 0.804 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 140.9 | 177.8 | -70.4 | -165.8 | 143.1 | 0 | 0 | 110.8 | V738 | E736-V738 PolarHBondContact O-N 3.35Š|
| 737 | P | 68.5 | Low | 62.3 | Low | 67 Ų | 67 | 92.9 Ų | 92.9 | 44% | 0.435 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 123.3 | -175.7 | 29.6 | -36.1 | 0 | 0 | 0 | 110.9 | L763 L764 F765 | P737-L763 HydrophobicContact CB-CD1 3.8Å; P737-L763 HydrophobicContact CB-CD2 4.09Å; P737-L763 HydrophobicContact CB-CG 3.81Å; P737-L763 HydrophobicContact CG-CD1 4.27Å; P737-L763 HydrophobicContact CG-CD2 4.46Å; P737-L764 CarbonylContact C-O 3.59Å; P737-L764 VanDerWaalsContact CA-O 3.31Å; P737-L764 WeakPolarHBondContact CA-O 3.44Å; P737-F765 HydrophobicContact CB-CD1 3.93Å; P737-F765 HydrophobicContact CB-CE1 4.1Å |
| 738 | V | 84.1 | Confident | 65 | Low | 50 Ų | 50 | 85.8 Ų | 85.8 | 30% | 0.303 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 118.9 | -169.6 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | E736 L764 I791 | E736-V738 PolarHBondContact O-N 3.35Å; V738-L764 HydrophobicContact CB-CB 4.37Å; V738-L764 PolarHBondContact N-O 2.87Å; V738-L764 WeakPolarHBondContact O-CB 3.41Å; V738-L764 WeakPolarHBondContact O-CG 3.4Å; V738-L764 PolarHBondContact O-N 2.86Å; V738-I791 HydrophobicContact CG1-CB 4.33Å; V738-I791 HydrophobicContact CG1-CG1 4.1Å; V738-I791 HydrophobicContact CG1-CG2 3.47Å; V738-I791 VanDerWaalsContact CG1-CG2 3.47Å |
| 739 | E | 89.1 | Confident | 67.4 | Low | 116 Ų | 116 | 93.7 Ų | 93.7 | 54% | 0.542 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 137.1 | 173.7 | -71.8 | -162.8 | 177.4 | 0 | 0 | 112 | L763 Q792 | E739-L763 HydrophobicContact CG-CD1 3.88Å; E739-Q792 PolarHBondContact O-N 3.28Å |
| 740 | A | 91.4 | Very high | 70 | Confident | 1 Ų | 1 | 89.2 Ų | 89.2 | 1% | 0.008 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 155.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S761 L762 L764 I789 T790 I791 | A740-S761 CarbonylContact O-C 3.51Å; A740-S761 WeakPolarHBondContact O-CA 3.45Å; A740-L762 PolarHBondContact N-O 3.28Å; A740-L762 PolarHBondContact O-N 3.44Å; A740-L764 HydrophobicContact CB-CD1 3.71Å; A740-L764 HydrophobicContact CB-CD2 4.4Å; A740-L764 HydrophobicContact CB-CG 3.96Å; A740-I789 HydrophobicContact CB-CB 4.45Å; A740-I789 HydrophobicContact CB-CD1 4.25Å; A740-T790 CarbonylContact C-O 3.46Å; A740-T790 WeakPolarHBondContact CA-O 3.45Å; A740-T790 WeakPolarHBondContact CB-O 3.25Å; A740-I791 HydrophobicContact CB-CG1 4.39Å |
| 741 | V | 92.4 | Very high | 71.9 | Confident | 33 Ų | 33 | 86 Ų | 86 | 20% | 0.2 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 131.8 | 179 | 179.9 | 0 | 0 | 0 | 0 | 111 | K743 A760 I789 T790 | V741-K743 PolarHBondContact O-N 3.24Å; V741-A760 WeakPolarHBondContact CA-O 3.49Å; V741-I789 CarbonylContact O-C 3.47Å; V741-I789 WeakPolarHBondContact O-CA 3.38Å; V741-T790 PolarHBondContact N-O 2.97Å; V741-T790 PolarHBondContact O-N 3.46Å; V741-T790 PolarHBondContact O-OG1 2.9Å |
| 742 | A | 93.3 | Very high | 74.6 | Confident | 4 Ų | 4 | 88.9 Ų | 88.9 | 3% | 0.033 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 118.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F744 F756 K757 G759 A760 L762 Y788 | A742-F744 VanDerWaalsContact C-N 3.33Å; A742-F756 HydrophobicContact CB-CD2 3.44Å; A742-F756 VanDerWaalsContact CB-CD2 3.44Å; A742-F756 HydrophobicContact CB-CE2 3.66Å; A742-K757 VanDerWaalsContact CB-O 3.3Å; A742-K757 WeakPolarHBondContact CB-O 3.28Å; A742-G759 PolarHBondContact O-N 3.07Å; A742-A760 HydrophobicContact CB-CB 4.48Å; A742-A760 PolarHBondContact N-O 2.95Å; A742-L762 HydrophobicContact CB-CD1 4.22Å; A742-Y788 CarbonylContact C-O 3.57Å; A742-Y788 WeakPolarHBondContact CA-O 3.2Å |
| 743 | K | 88.4 | Confident | 77.5 | Confident | 82 Ų | 82 | 84.6 Ų | 84.6 | 36% | 0.357 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -70.8 | -27.8 | 173.7 | -68.9 | 173.3 | 174.3 | 148.4 | 0 | 112.8 | V741 K758 Y788 I789 T790 | V741-K743 PolarHBondContact O-N 3.24Å; K743-K758 WeakPolarHBondContact O-CD 3.43Å; K743-K758 WeakPolarHBondContact O-CE 3.39Å; K743-K758 WeakPolarHBondContact O-CG 3.3Å; K743-K758 PolarHBondContact O-NZ 3.49Å; K743-Y788 PolarHBondContact N-O 2.87Å; K743-I789 WeakPolarHBondContact CD-O 3.44Å; K743-I789 WeakPolarHBondContact CE-O 3.4Å; K743-I789 PolarHBondContact NZ-O 3.14Å; K743-T790 VanDerWaalsContact CE-OG1 3.23Å; K743-T790 WeakPolarHBondContact CE-OG1 3.33Å; K743-T790 WeakPolarHBondContact CG-OG1 3.44Å |
| 744 | F | 86.3 | Confident | 80.3 | Confident | 104 Ų | 104 | 79.6 Ų | 79.6 | 46% | 0.456 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -144 | 165.5 | -174.1 | -54.6 | -72.2 | 0 | 0 | 0 | 110.7 | A742 Y788 | A742-F744 VanDerWaalsContact C-N 3.33Å; F744-Y788 HydrophobicContact CB-CD1 3.84Å; F744-Y788 HydrophobicContact CB-CE1 4.19Å; F744-Y788 HydrophobicContact CD2-CD1 4.43Å |
| 745 | D | 90 | Very high | 82.9 | Confident | 81 Ų | 81 | 74.4 Ų | 74.4 | 43% | 0.433 | 40% | 0.401 | S | S | . | . | trans | -67.1 | 135 | 166.8 | -82.7 | 14.5 | 0 | 0 | 0 | 109.8 | K757 K758 | D745-K757 HydrophobicContact CB-CD 4.25Å; D745-K757 WeakPolarHBondContact OD1-CA 3.38Å; D745-K757 VanDerWaalsContact OD1-CD 3.29Å; D745-K757 WeakPolarHBondContact OD1-CD 3.37Å; D745-K757 WeakPolarHBondContact OD2-CD 3.44Å; D745-K757 WeakPolarHBondContact OD2-CE 3.44Å; D745-K757 IonicContact OD2-NZ 3.98Å; D745-K757 PolarHBondContact OD2-NZ 3.23Å; D745-K758 PolarHBondContact OD1-N 2.97Å | ||
| 746 | Y | 91.6 | Very high | 85.4 | Confident | 18 Ų | 18 | 69.9 Ų | 69.9 | 7% | 0.071 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -130.3 | 134.4 | 172.4 | -166.2 | -103.6 | 0 | 0 | 0 | 111.3 | E753 L754 T755 F756 W772 P785 Y788 | Y746-E753 HydrophobicContact CE1-CB 4.46Å; Y746-E753 PolarHBondContact OH-OE2 3.42Å; Y746-L754 WeakPolarHBondContact CD1-O 3.26Å; Y746-T755 WeakPolarHBondContact O-CA 3.15Å; Y746-F756 VanDerWaalsContact CB-CE2 3.48Å; Y746-F756 VanDerWaalsContact CB-CZ 3.5Å; Y746-F756 HydrophobicContact CD1-CE1 4.06Å; Y746-F756 HydrophobicContact CD1-CZ 4.25Å; Y746-F756 HydrophobicContact CG-CE1 4.3Å; Y746-F756 HydrophobicContact CG-CE2 4.48Å; Y746-F756 HydrophobicContact CG-CZ 4.05Å; Y746-F756 PolarHBondContact N-O 3Å; Y746-F756 PolarHBondContact O-N 3.4Å; Y746-W772 WeakPolarHBondContact OH-CH2 3.47Å; Y746-P785 HydrophobicContact CD1-CG 3.93Å; Y746-P785 HydrophobicContact CD2-CG 3.82Å; Y746-P785 HydrophobicContact CE1-CG 3.81Å; Y746-P785 HydrophobicContact CE2-CG 3.69Å; Y746-P785 HydrophobicContact CG-CG 3.94Å; Y746-Y788 AromaticContact CD2-CD1 3.62Å; Y746-Y788 HydrophobicContact CD2-CD1 3.62Å; Y746-Y788 HydrophobicContact CD2-CD2 4.19Å; Y746-Y788 AromaticContact CD2-CE1 3.65Å; Y746-Y788 HydrophobicContact CD2-CE1 3.65Å; Y746-Y788 HydrophobicContact CD2-CE2 4.2Å; Y746-Y788 AromaticContact CD2-CG 3.93Å; Y746-Y788 HydrophobicContact CD2-CG 3.93Å; Y746-Y788 AromaticContact CD2-CZ 3.95Å; Y746-Y788 HydrophobicContact CE2-CD2 4.49Å; Y746-Y788 HydrophobicContact CE2-CE1 4.39Å; Y746-Y788 HydrophobicContact CE2-CE2 4.28Å; Y746-Y788 HydrophobicContact CG-CD1 4.24Å |
| 747 | T | 91.6 | Very high | 87.3 | Confident | 93 Ų | 93 | 67.2 Ų | 67.2 | 57% | 0.571 | 35% | 0.354 | S | S | * | . | trans | -119.8 | 116.1 | 174.6 | -53.1 | 0 | 0 | 0 | 0 | 107.4 | T755 | T747-T755 HydrophobicContact CG2-CG2 4.44Š| ||
| 748 | G | 86.9 | Confident | 88.4 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | trans | -60.3 | 138.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E753 T755 | G748-E753 VanDerWaalsContact CA-CB 3.49Å; G748-E753 WeakPolarHBondContact CA-OE2 3.32Å; G748-T755 PolarHBondContact N-OG1 2.93Å | ||
| 749 | R | 78.6 | Confident | 88.4 | Confident | 220 Ų | 220 | 70.3 Ų | 70.3 | 83% | 0.83 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -92 | -31.8 | -178.1 | -57.8 | 179.6 | 179.6 | -175.2 | 1.5 | 111.8 | E753 | R749-E753 VanDerWaalsContact N-CD 3.32Å; R749-E753 PolarHBondContact N-OE1 3.28Å; R749-E753 PolarHBondContact N-OE2 3.43Å |
| 750 | S | 80.9 | Confident | 88.5 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -109.2 | 168.9 | 171.8 | 70.1 | 0 | 0 | 0 | 0 | 112 | R752 E753 | S750-R752 PolarHBondContact O-N 2.82Å; S750-R752 PolarHBondContact OG-N 2.96Å; S750-E753 WeakPolarHBondContact CB-OE1 3.43Å; S750-E753 PolarHBondContact N-OE1 3.47Å; S750-E753 PolarHBondContact O-N 3.01Å; S750-E753 WeakPolarHBondContact OG-CG 3.11Å; S750-E753 PolarHBondContact OG-OE1 3.2Å |
| 751 | G | 76.3 | Confident | 88.5 | Confident | 94 Ų | 94 | 69.5 Ų | 69.5 | 97% | 0.969 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -3.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 752 | R | 85.1 | Confident | 88.5 | Confident | 155 Ų | 155 | 68.1 Ų | 68.1 | 59% | 0.585 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -14.7 | 174.7 | -59.2 | -177.8 | -170.2 | -105.4 | 11.7 | 112.9 | E632 S750 G782 L783 | E632-R752 IonicContact OE2-CZ 2.73Å; E632-R752 IonicContact OE2-NE 3.8Å; E632-R752 PolarHBondContact OE2-NE 3.44Å; E632-R752 IonicContact OE2-NH2 3.88Å; E632-R752 PolarHBondContact OE2-NH2 3.24Å; S750-R752 PolarHBondContact O-N 2.82Å; S750-R752 PolarHBondContact OG-N 2.96Å; R752-G782 CarbonylContact O-C 3.54Å; R752-G782 WeakPolarHBondContact O-CA 3.41Å; R752-L783 PolarHBondContact O-N 3Å |
| 753 | E | 92.2 | Very high | 88.4 | Confident | 30 Ų | 30 | 70.3 Ų | 70.3 | 14% | 0.14 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -97.3 | 132.2 | -173.9 | -71.3 | 158.6 | -109.3 | 0 | 0 | 112.3 | Y746 G748 R749 S750 W772 | Y746-E753 HydrophobicContact CE1-CB 4.46Å; Y746-E753 PolarHBondContact OH-OE2 3.42Å; G748-E753 VanDerWaalsContact CA-CB 3.49Å; G748-E753 WeakPolarHBondContact CA-OE2 3.32Å; R749-E753 VanDerWaalsContact N-CD 3.32Å; R749-E753 PolarHBondContact N-OE1 3.28Å; R749-E753 PolarHBondContact N-OE2 3.43Å; S750-E753 WeakPolarHBondContact CB-OE1 3.43Å; S750-E753 PolarHBondContact N-OE1 3.47Å; S750-E753 PolarHBondContact O-N 3.01Å; S750-E753 WeakPolarHBondContact OG-CG 3.11Å; S750-E753 PolarHBondContact OG-OE1 3.2Å; E753-W772 HydrophobicContact CG-CH2 3.89Å; E753-W772 HydrophobicContact CG-CZ3 3.91Å |
| 754 | L | 89.9 | Confident | 88.5 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 127.8 | 178.7 | -68.5 | 178.3 | 0 | 0 | 0 | 111.8 | Y746 F756 G775 H777 V780 L783 V784 | Y746-L754 WeakPolarHBondContact CD1-O 3.26Å; L754-F756 HydrophobicContact CB-CD1 4.27Å; L754-F756 WeakPolarHBondContact O-CD1 3.32Å; L754-F756 WeakPolarHBondContact O-CE1 3.34Å; L754-G775 WeakPolarHBondContact CD1-O 3.46Å; L754-H777 HydrophobicContact CB-CB 4.48Å; L754-H777 HydrophobicContact CD1-CB 3.94Å; L754-V780 HydrophobicContact CD2-CB 4.1Å; L754-V780 HydrophobicContact CD2-CG1 3.86Å; L754-V780 VanDerWaalsContact CD2-O 3.32Å; L754-V780 WeakPolarHBondContact CD2-O 3.34Å; L754-L783 PolarHBondContact N-O 3.05Å; L754-V784 HydrophobicContact CB-CG2 4.37Å; L754-V784 HydrophobicContact CD1-CG2 3.8Å |
| 755 | T | 92.2 | Very high | 88.5 | Confident | 76 Ų | 76 | 65.7 Ų | 65.7 | 47% | 0.466 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 126.2 | 171.8 | -67.9 | 0 | 0 | 0 | 0 | 110.2 | Y746 T747 G748 H777 | Y746-T755 WeakPolarHBondContact O-CA 3.15Å; T747-T755 HydrophobicContact CG2-CG2 4.44Å; G748-T755 PolarHBondContact N-OG1 2.93Å; T755-H777 PolarHBondContact O-CE1 2.9Å; T755-H777 VanDerWaalsContact O-CE1 3.28Å; T755-H777 PolarHBondContact O-ND1 3.14Å |
| 756 | F | 92.8 | Very high | 88.3 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 1% | 0.013 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -148.2 | 168 | -176.6 | 54.7 | -99.9 | 0 | 0 | 0 | 113.1 | A742 Y746 L754 A760 L762 H777 V784 P785 I789 | A742-F756 HydrophobicContact CB-CD2 3.44Å; A742-F756 VanDerWaalsContact CB-CD2 3.44Å; A742-F756 HydrophobicContact CB-CE2 3.66Å; Y746-F756 VanDerWaalsContact CB-CE2 3.48Å; Y746-F756 VanDerWaalsContact CB-CZ 3.5Å; Y746-F756 HydrophobicContact CD1-CE1 4.06Å; Y746-F756 HydrophobicContact CD1-CZ 4.25Å; Y746-F756 HydrophobicContact CG-CE1 4.3Å; Y746-F756 HydrophobicContact CG-CE2 4.48Å; Y746-F756 HydrophobicContact CG-CZ 4.05Å; Y746-F756 PolarHBondContact N-O 3Å; Y746-F756 PolarHBondContact O-N 3.4Å; L754-F756 HydrophobicContact CB-CD1 4.27Å; L754-F756 WeakPolarHBondContact O-CD1 3.32Å; L754-F756 WeakPolarHBondContact O-CE1 3.34Å; F756-A760 HydrophobicContact CB-CB 4.34Å; F756-L762 HydrophobicContact CB-CD2 4.13Å; F756-L762 HydrophobicContact CD1-CD1 4.16Å; F756-L762 HydrophobicContact CD1-CD2 4.06Å; F756-L762 HydrophobicContact CD2-CD1 4.13Å; F756-L762 HydrophobicContact CE1-CD1 4.16Å; F756-L762 HydrophobicContact CE2-CD1 4.1Å; F756-L762 HydrophobicContact CG-CD1 4.15Å; F756-L762 HydrophobicContact CG-CD2 4.12Å; F756-L762 HydrophobicContact CZ-CD1 4.11Å; F756-H777 VanDerWaalsContact CB-CE1 3.46Å; F756-H777 WeakPolarHBondContact CB-CE1 3.37Å; F756-V784 HydrophobicContact CE1-CG1 3.83Å; F756-V784 HydrophobicContact CZ-CG1 3.98Å; F756-P785 HydrophobicContact CZ-CG 4.47Å; F756-I789 HydrophobicContact CE2-CG2 4.34Å; F756-I789 HydrophobicContact CZ-CG2 4.15Å |
| 757 | K | 91.6 | Very high | 88.1 | Confident | 116 Ų | 116 | 72.1 Ų | 72.1 | 50% | 0.504 | 39% | 0.386 | S | S | . | . | trans | -116.3 | 152.6 | -176.5 | -69.2 | -60.4 | -173.7 | -171.2 | 0 | 111.6 | A742 D745 G759 A760 | A742-K757 VanDerWaalsContact CB-O 3.3Å; A742-K757 WeakPolarHBondContact CB-O 3.28Å; D745-K757 HydrophobicContact CB-CD 4.25Å; D745-K757 WeakPolarHBondContact OD1-CA 3.38Å; D745-K757 VanDerWaalsContact OD1-CD 3.29Å; D745-K757 WeakPolarHBondContact OD1-CD 3.37Å; D745-K757 WeakPolarHBondContact OD2-CD 3.44Å; D745-K757 WeakPolarHBondContact OD2-CE 3.44Å; D745-K757 IonicContact OD2-NZ 3.98Å; D745-K757 PolarHBondContact OD2-NZ 3.23Å; K757-G759 PolarHBondContact O-N 3.36Å; K757-A760 WeakPolarHBondContact O-CB 3.49Å; K757-A760 PolarHBondContact O-N 3.19Å | ||
| 758 | K | 91.6 | Very high | 87.4 | Confident | 129 Ų | 129 | 70.2 Ų | 70.2 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 124.6 | 175.5 | -179.4 | 166.7 | -176.6 | 129.6 | 0 | 110 | K743 D745 | K743-K758 WeakPolarHBondContact O-CD 3.43Å; K743-K758 WeakPolarHBondContact O-CE 3.39Å; K743-K758 WeakPolarHBondContact O-CG 3.3Å; K743-K758 PolarHBondContact O-NZ 3.49Å; D745-K758 PolarHBondContact OD1-N 2.97Å |
| 759 | G | 85.1 | Confident | 87.2 | Confident | 52 Ų | 52 | 72 Ų | 72 | 54% | 0.536 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | 2.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A742 K757 | A742-G759 PolarHBondContact O-N 3.07Å; K757-G759 PolarHBondContact O-N 3.36Å |
| 760 | A | 90.6 | Very high | 87 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 17% | 0.165 | 38% | 0.379 | C | S | . | . | trans | -72.5 | 137.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | V741 A742 F756 K757 | V741-A760 WeakPolarHBondContact CA-O 3.49Å; A742-A760 HydrophobicContact CB-CB 4.48Å; A742-A760 PolarHBondContact N-O 2.95Å; F756-A760 HydrophobicContact CB-CB 4.34Å; K757-A760 WeakPolarHBondContact O-CB 3.49Å; K757-A760 PolarHBondContact O-N 3.19Å | ||
| 761 | S | 91.4 | Very high | 87.3 | Confident | 80 Ų | 80 | 69.1 Ų | 69.1 | 56% | 0.559 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 141.8 | 168.8 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | A740 | A740-S761 CarbonylContact O-C 3.51Å; A740-S761 WeakPolarHBondContact O-CA 3.45Å |
| 762 | L | 92.1 | Very high | 88.1 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.8 | -173.7 | -59.2 | 168.2 | 0 | 0 | 0 | 107.3 | A740 A742 F756 H777 V784 I789 | A740-L762 PolarHBondContact N-O 3.28Å; A740-L762 PolarHBondContact O-N 3.44Å; A742-L762 HydrophobicContact CB-CD1 4.22Å; F756-L762 HydrophobicContact CB-CD2 4.13Å; F756-L762 HydrophobicContact CD1-CD1 4.16Å; F756-L762 HydrophobicContact CD1-CD2 4.06Å; F756-L762 HydrophobicContact CD2-CD1 4.13Å; F756-L762 HydrophobicContact CE1-CD1 4.16Å; F756-L762 HydrophobicContact CE2-CD1 4.1Å; F756-L762 HydrophobicContact CG-CD1 4.15Å; F756-L762 HydrophobicContact CG-CD2 4.12Å; F756-L762 HydrophobicContact CZ-CD1 4.11Å; L762-H777 HydrophobicContact CD2-CB 3.57Å; L762-V784 HydrophobicContact CD1-CG1 3.85Å; L762-I789 HydrophobicContact CD1-CG2 3.52Å |
| 763 | L | 90.9 | Very high | 88.4 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 115.3 | -179.4 | -171.2 | 69.6 | 0 | 0 | 0 | 108.9 | P737 E739 F765 G775 Q776 | P737-L763 HydrophobicContact CB-CD1 3.8Å; P737-L763 HydrophobicContact CB-CD2 4.09Å; P737-L763 HydrophobicContact CB-CG 3.81Å; P737-L763 HydrophobicContact CG-CD1 4.27Å; P737-L763 HydrophobicContact CG-CD2 4.46Å; E739-L763 HydrophobicContact CG-CD1 3.88Å; L763-F765 HydrophobicContact CD2-CE1 3.97Å; L763-F765 HydrophobicContact CD2-CZ 4.32Å; L763-F765 HydrophobicContact CG-CE1 4.27Å; L763-G775 CarbonylContact O-C 3.44Å; L763-G775 WeakPolarHBondContact O-CA 3.16Å; L763-Q776 HydrophobicContact CB-CB 4.46Å; L763-Q776 PolarHBondContact N-O 3.44Å; L763-Q776 PolarHBondContact O-N 3.42Å |
| 764 | L | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 133 | -173.7 | -46.6 | 177.4 | 0 | 0 | 0 | 110.8 | P737 V738 A740 W773 V784 I789 I791 | P737-L764 CarbonylContact C-O 3.59Å; P737-L764 VanDerWaalsContact CA-O 3.31Å; P737-L764 WeakPolarHBondContact CA-O 3.44Å; V738-L764 HydrophobicContact CB-CB 4.37Å; V738-L764 PolarHBondContact N-O 2.87Å; V738-L764 WeakPolarHBondContact O-CB 3.41Å; V738-L764 WeakPolarHBondContact O-CG 3.4Å; V738-L764 PolarHBondContact O-N 2.86Å; A740-L764 HydrophobicContact CB-CD1 3.71Å; A740-L764 HydrophobicContact CB-CD2 4.4Å; A740-L764 HydrophobicContact CB-CG 3.96Å; L764-W773 HydrophobicContact CB-CD2 4.43Å; L764-W773 HydrophobicContact CB-CE3 3.83Å; L764-W773 HydrophobicContact CB-CZ3 4.44Å; L764-W773 HydrophobicContact CD1-CB 4.39Å; L764-W773 HydrophobicContact CD1-CD2 3.8Å; L764-W773 HydrophobicContact CD1-CE3 3.88Å; L764-W773 HydrophobicContact CD1-CG 4.02Å; L764-W773 HydrophobicContact CD1-CZ3 4.43Å; L764-W773 HydrophobicContact CD2-CB 4Å; L764-W773 HydrophobicContact CD2-CG 4.49Å; L764-W773 HydrophobicContact CG-CE3 4.45Å; L764-V784 HydrophobicContact CD2-CB 4.29Å; L764-V784 HydrophobicContact CD2-CG1 4.26Å; L764-V784 HydrophobicContact CD2-CG2 4.38Å; L764-I789 HydrophobicContact CD1-CD1 3.67Å; L764-I789 HydrophobicContact CD2-CD1 3.99Å; L764-I789 HydrophobicContact CG-CD1 4.46Å; L764-I791 HydrophobicContact CD1-CD1 4.36Å; L764-I791 HydrophobicContact CD1-CG1 3.94Å |
| 765 | F | 85.5 | Confident | 88.5 | Confident | 89 Ų | 89 | 65 Ų | 65 | 39% | 0.39 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -47 | -179.9 | -54 | -59 | 0 | 0 | 0 | 112.1 | P737 L763 E774 Q776 | P737-F765 HydrophobicContact CB-CD1 3.93Å; P737-F765 HydrophobicContact CB-CE1 4.1Å; L763-F765 HydrophobicContact CD2-CE1 3.97Å; L763-F765 HydrophobicContact CD2-CZ 4.32Å; L763-F765 HydrophobicContact CG-CE1 4.27Å; F765-E774 PolarHBondContact N-O 3.31Å; F765-Q776 HydrophobicContact CE2-CB 3.86Å; F765-Q776 HydrophobicContact CZ-CB 3.83Å |
| 766 | Q | 85.9 | Confident | 88.5 | Confident | 132 Ų | 132 | 64.4 Ų | 64.4 | 62% | 0.617 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 150.5 | -177.6 | -173.4 | 162 | 82.9 | 0 | 0 | 111.3 | A768 W773 E774 | Q766-A768 PolarHBondContact O-N 3.17Å; Q766-W773 CarbonylContact O-C 3.55Å; Q766-W773 WeakPolarHBondContact O-CA 3.32Å; Q766-E774 PolarHBondContact N-O 3.46Å; Q766-E774 PolarHBondContact O-N 2.93Å |
| 767 | R | 86.6 | Confident | 88.3 | Confident | 102 Ų | 102 | 65.7 Ų | 65.7 | 39% | 0.385 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 101.2 | 172.2 | -176.6 | 178.2 | 176 | 105.9 | -9 | 108.5 | S769 D770 W773 H786 | R767-S769 WeakPolarHBondContact CG-O 3.43Å; R767-D770 IonicContact CZ-OD1 2.66Å; R767-D770 IonicContact NE-OD1 3.94Å; R767-D770 PolarHBondContact NE-OD1 3.04Å; R767-D770 PolarHBondContact NH2-O 2.57Å; R767-D770 IonicContact NH2-OD1 2.64Å; R767-D770 PolarHBondContact NH2-OD1 2.94Å; R767-W773 HydrophobicContact CB-CD2 3.98Å; R767-W773 HydrophobicContact CB-CE3 3.91Å; R767-W773 HydrophobicContact CB-CH2 3.99Å; R767-W773 HydrophobicContact CB-CZ2 4.03Å; R767-W773 HydrophobicContact CB-CZ3 3.93Å; R767-W773 HydrophobicContact CG-CD2 4.37Å; R767-W773 HydrophobicContact CG-CZ2 4.17Å; R767-H786 PolarHBondContact NH1-CD2 2.84Å; R767-H786 PolarHBondContact NH1-NE2 2.94Å |
| 768 | A | 77.9 | Confident | 88 | Confident | 52 Ų | 52 | 66.9 Ų | 66.9 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -29.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q766 W772 E774 L783 | Q766-A768 PolarHBondContact O-N 3.17Å; A768-W772 PolarHBondContact N-O 3.18Å; A768-E774 HydrophobicContact CB-CG 4.2Å; A768-L783 HydrophobicContact CB-CD2 4.14Å |
| 769 | S | 83.1 | Confident | 87.4 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 178.4 | 168.2 | 61.6 | 0 | 0 | 0 | 0 | 110 | R767 D771 W772 | R767-S769 WeakPolarHBondContact CG-O 3.43Å; S769-D771 PolarHBondContact O-N 3.23Å; S769-W772 PolarHBondContact N-O 3.47Å; S769-W772 PolarHBondContact O-N 3.27Å; S769-W772 WeakPolarHBondContact OG-CB 3.14Å; S769-W772 PolarHBondContact OG-N 3.43Å |
| 770 | D | 74.3 | Confident | 87.3 | Confident | 119 Ų | 119 | 65.2 Ų | 65.2 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.1 | -178.2 | -79.3 | -42.1 | 0 | 0 | 0 | 114.6 | R767 H786 | R767-D770 IonicContact CZ-OD1 2.66Å; R767-D770 IonicContact NE-OD1 3.94Å; R767-D770 PolarHBondContact NE-OD1 3.04Å; R767-D770 PolarHBondContact NH2-O 2.57Å; R767-D770 IonicContact NH2-OD1 2.64Å; R767-D770 PolarHBondContact NH2-OD1 2.94Å; D770-H786 PolarHBondContact O-CD2 2.86Å |
| 771 | D | 87.6 | Confident | 87.3 | Confident | 80 Ų | 80 | 69 Ų | 69 | 43% | 0.428 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -6.2 | 176.7 | -84.1 | -51.6 | 0 | 0 | 0 | 114.3 | S769 P785 H786 Q787 | S769-D771 PolarHBondContact O-N 3.23Å; D771-P785 CarbonylContact O-C 3.33Å; D771-P785 WeakPolarHBondContact O-CA 3.18Å; D771-H786 WeakPolarHBondContact O-CB 3.5Å; D771-H786 PolarHBondContact O-N 2.93Å; D771-Q787 PolarHBondContact OD1-NE2 3.02Å |
| 772 | W | 91.4 | Very high | 87.3 | Confident | 73 Ų | 73 | 66 Ų | 66 | 28% | 0.277 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 139.6 | -172.8 | -62.2 | 92.4 | 0 | 0 | 0 | 114.5 | Y746 E753 A768 S769 L783 P785 | Y746-W772 WeakPolarHBondContact OH-CH2 3.47Å; E753-W772 HydrophobicContact CG-CH2 3.89Å; E753-W772 HydrophobicContact CG-CZ3 3.91Å; A768-W772 PolarHBondContact N-O 3.18Å; S769-W772 PolarHBondContact N-O 3.47Å; S769-W772 PolarHBondContact O-N 3.27Å; S769-W772 WeakPolarHBondContact OG-CB 3.14Å; S769-W772 PolarHBondContact OG-N 3.43Å; W772-L783 HydrophobicContact CE3-CB 3.77Å; W772-L783 HydrophobicContact CZ3-CB 4.08Å; W772-P785 HydrophobicContact CD2-CB 4.3Å; W772-P785 HydrophobicContact CE3-CB 3.86Å; W772-P785 HydrophobicContact CE3-CG 4.36Å; W772-P785 HydrophobicContact CH2-CB 4.18Å; W772-P785 HydrophobicContact CH2-CG 4.38Å; W772-P785 HydrophobicContact CZ3-CB 3.81Å; W772-P785 HydrophobicContact CZ3-CG 3.92Å |
| 773 | W | 92.9 | Very high | 87.3 | Confident | 33 Ų | 33 | 68 Ų | 68 | 13% | 0.125 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 141.6 | 171.9 | -68.3 | 75.5 | 0 | 0 | 0 | 110.4 | L764 Q766 R767 L783 V784 H786 I791 | L764-W773 HydrophobicContact CB-CD2 4.43Å; L764-W773 HydrophobicContact CB-CE3 3.83Å; L764-W773 HydrophobicContact CB-CZ3 4.44Å; L764-W773 HydrophobicContact CD1-CB 4.39Å; L764-W773 HydrophobicContact CD1-CD2 3.8Å; L764-W773 HydrophobicContact CD1-CE3 3.88Å; L764-W773 HydrophobicContact CD1-CG 4.02Å; L764-W773 HydrophobicContact CD1-CZ3 4.43Å; L764-W773 HydrophobicContact CD2-CB 4Å; L764-W773 HydrophobicContact CD2-CG 4.49Å; L764-W773 HydrophobicContact CG-CE3 4.45Å; Q766-W773 CarbonylContact O-C 3.55Å; Q766-W773 WeakPolarHBondContact O-CA 3.32Å; R767-W773 HydrophobicContact CB-CD2 3.98Å; R767-W773 HydrophobicContact CB-CE3 3.91Å; R767-W773 HydrophobicContact CB-CH2 3.99Å; R767-W773 HydrophobicContact CB-CZ2 4.03Å; R767-W773 HydrophobicContact CB-CZ3 3.93Å; R767-W773 HydrophobicContact CG-CD2 4.37Å; R767-W773 HydrophobicContact CG-CZ2 4.17Å; W773-L783 CarbonylContact O-C 3.53Å; W773-L783 WeakPolarHBondContact O-CA 3.41Å; W773-V784 HydrophobicContact CB-CB 4.49Å; W773-V784 PolarHBondContact N-O 2.85Å; W773-V784 PolarHBondContact O-N 3.37Å; W773-H786 AromaticContact CD1-CG 4Å; W773-H786 AromaticContact CD1-ND1 3.83Å; W773-H786 AromaticContact NE1-CE1 3.78Å; W773-H786 AromaticContact NE1-CG 3.48Å; W773-H786 AromaticContact NE1-ND1 3.12Å; W773-H786 PolarHBondContact NE1-ND1 3.02Å; W773-H786 VanDerWaalsContact NE1-ND1 3.12Å; W773-I791 HydrophobicContact CH2-CD1 3.97Å; W773-I791 HydrophobicContact CZ2-CD1 3.65Å |
| 774 | E | 91.7 | Very high | 87.3 | Confident | 97 Ų | 97 | 65.6 Ų | 65.6 | 45% | 0.453 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 132.5 | 157.8 | -78.4 | 175.7 | -167.4 | 0 | 0 | 108.9 | F765 Q766 A768 L783 | F765-E774 PolarHBondContact N-O 3.31Å; Q766-E774 PolarHBondContact N-O 3.46Å; Q766-E774 PolarHBondContact O-N 2.93Å; A768-E774 HydrophobicContact CB-CG 4.2Å; E774-L783 HydrophobicContact CG-CD2 3.8Å |
| 775 | G | 91.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | -173.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L754 L763 D781 G782 | L754-G775 WeakPolarHBondContact CD1-O 3.46Å; L763-G775 CarbonylContact O-C 3.44Å; L763-G775 WeakPolarHBondContact O-CA 3.16Å; G775-D781 CarbonylContact O-C 3.59Å; G775-D781 WeakPolarHBondContact O-CA 3.43Å; G775-G782 PolarHBondContact N-O 3.23Å; G775-G782 PolarHBondContact O-N 2.73Å; G775-G782 VanDerWaalsContact O-O 3.06Å |
| 776 | Q | 91.5 | Very high | 87.7 | Confident | 64 Ų | 64 | 64.6 Ų | 64.6 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 139.7 | -175.2 | -168 | 175.9 | 100.5 | 0 | 0 | 111.7 | L763 F765 V780 D781 | L763-Q776 HydrophobicContact CB-CB 4.46Å; L763-Q776 PolarHBondContact N-O 3.44Å; L763-Q776 PolarHBondContact O-N 3.42Å; F765-Q776 HydrophobicContact CE2-CB 3.86Å; F765-Q776 HydrophobicContact CZ-CB 3.83Å; Q776-V780 WeakPolarHBondContact CA-O 3.27Å; Q776-V780 WeakPolarHBondContact CG-O 3.35Å; Q776-D781 WeakPolarHBondContact CB-OD1 3.48Å; Q776-D781 VanDerWaalsContact CG-OD1 3.24Å; Q776-D781 WeakPolarHBondContact CG-OD1 3.3Å; Q776-D781 PolarHBondContact NE2-OD1 3.36Å |
| 777 | H | 90.3 | Very high | 87.9 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 13% | 0.134 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 119.7 | 171.1 | -177.7 | -133.5 | 0 | 0 | 0 | 109.6 | L754 T755 F756 L762 G779 V780 | L754-H777 HydrophobicContact CB-CB 4.48Å; L754-H777 HydrophobicContact CD1-CB 3.94Å; T755-H777 PolarHBondContact O-CE1 2.9Å; T755-H777 VanDerWaalsContact O-CE1 3.28Å; T755-H777 PolarHBondContact O-ND1 3.14Å; F756-H777 VanDerWaalsContact CB-CE1 3.46Å; F756-H777 WeakPolarHBondContact CB-CE1 3.37Å; L762-H777 HydrophobicContact CD2-CB 3.57Å; H777-G779 PolarHBondContact O-N 3Å; H777-V780 PolarHBondContact N-O 3.14Å; H777-V780 PolarHBondContact O-N 2.61Å |
| 778 | N | 83.7 | Confident | 88.1 | Confident | 142 Ų | 142 | 63.5 Ų | 63.5 | 76% | 0.759 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 35.1 | -177.6 | -55.3 | -62.4 | 0 | 0 | 0 | 114.9 | ||
| 779 | G | 79.1 | Confident | 88.7 | Confident | 54 Ų | 54 | 61.1 Ų | 61.1 | 56% | 0.557 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 14.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | H777 | H777-G779 PolarHBondContact O-N 3Š|
| 780 | V | 84.1 | Confident | 89.1 | Confident | 91 Ų | 91 | 61.7 Ų | 61.7 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.9 | 168.9 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | L754 Q776 H777 | L754-V780 HydrophobicContact CD2-CB 4.1Å; L754-V780 HydrophobicContact CD2-CG1 3.86Å; L754-V780 VanDerWaalsContact CD2-O 3.32Å; L754-V780 WeakPolarHBondContact CD2-O 3.34Å; Q776-V780 WeakPolarHBondContact CA-O 3.27Å; Q776-V780 WeakPolarHBondContact CG-O 3.35Å; H777-V780 PolarHBondContact N-O 3.14Å; H777-V780 PolarHBondContact O-N 2.61Å |
| 781 | D | 90.7 | Very high | 89.8 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 149.3 | 178.5 | -55.8 | -45.7 | 0 | 0 | 0 | 111.5 | G775 Q776 | G775-D781 CarbonylContact O-C 3.59Å; G775-D781 WeakPolarHBondContact O-CA 3.43Å; Q776-D781 WeakPolarHBondContact CB-OD1 3.48Å; Q776-D781 VanDerWaalsContact CG-OD1 3.24Å; Q776-D781 WeakPolarHBondContact CG-OD1 3.3Å; Q776-D781 PolarHBondContact NE2-OD1 3.36Å |
| 782 | G | 90.1 | Very high | 89.4 | Confident | 17 Ų | 17 | 60.4 Ų | 60.4 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.4 | -170.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R752 G775 | R752-G782 CarbonylContact O-C 3.54Å; R752-G782 WeakPolarHBondContact O-CA 3.41Å; G775-G782 PolarHBondContact N-O 3.23Å; G775-G782 PolarHBondContact O-N 2.73Å; G775-G782 VanDerWaalsContact O-O 3.06Å |
| 783 | L | 92.3 | Very high | 87.6 | Confident | 45 Ų | 45 | 65.6 Ų | 65.6 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 133.8 | -174.9 | -64.8 | 175.6 | 0 | 0 | 0 | 112.3 | R752 L754 A768 W772 W773 E774 | R752-L783 PolarHBondContact O-N 3Å; L754-L783 PolarHBondContact N-O 3.05Å; A768-L783 HydrophobicContact CB-CD2 4.14Å; W772-L783 HydrophobicContact CE3-CB 3.77Å; W772-L783 HydrophobicContact CZ3-CB 4.08Å; W773-L783 CarbonylContact O-C 3.53Å; W773-L783 WeakPolarHBondContact O-CA 3.41Å; E774-L783 HydrophobicContact CG-CD2 3.8Å |
| 784 | V | 92.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 117.2 | -178.1 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | L754 F756 L762 L764 W773 H786 I789 | L754-V784 HydrophobicContact CB-CG2 4.37Å; L754-V784 HydrophobicContact CD1-CG2 3.8Å; F756-V784 HydrophobicContact CE1-CG1 3.83Å; F756-V784 HydrophobicContact CZ-CG1 3.98Å; L762-V784 HydrophobicContact CD1-CG1 3.85Å; L764-V784 HydrophobicContact CD2-CB 4.29Å; L764-V784 HydrophobicContact CD2-CG1 4.26Å; L764-V784 HydrophobicContact CD2-CG2 4.38Å; W773-V784 HydrophobicContact CB-CB 4.49Å; W773-V784 PolarHBondContact N-O 2.85Å; W773-V784 PolarHBondContact O-N 3.37Å; V784-H786 PolarHBondContact O-N 2.87Å; V784-I789 HydrophobicContact CG1-CD1 3.9Å; V784-I789 HydrophobicContact CG1-CG2 3.56Å |
| 785 | P | 92.2 | Very high | 82.5 | Confident | 9 Ų | 9 | 70 Ų | 70 | 6% | 0.058 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 125.3 | -177.1 | 23.8 | -27.2 | 0 | 0 | 0 | 111.8 | Y746 F756 D771 W772 Q787 Y788 | Y746-P785 HydrophobicContact CD1-CG 3.93Å; Y746-P785 HydrophobicContact CD2-CG 3.82Å; Y746-P785 HydrophobicContact CE1-CG 3.81Å; Y746-P785 HydrophobicContact CE2-CG 3.69Å; Y746-P785 HydrophobicContact CG-CG 3.94Å; F756-P785 HydrophobicContact CZ-CG 4.47Å; D771-P785 CarbonylContact O-C 3.33Å; D771-P785 WeakPolarHBondContact O-CA 3.18Å; W772-P785 HydrophobicContact CD2-CB 4.3Å; W772-P785 HydrophobicContact CE3-CB 3.86Å; W772-P785 HydrophobicContact CE3-CG 4.36Å; W772-P785 HydrophobicContact CH2-CB 4.18Å; W772-P785 HydrophobicContact CH2-CG 4.38Å; W772-P785 HydrophobicContact CZ3-CB 3.81Å; W772-P785 HydrophobicContact CZ3-CG 3.92Å; P785-Q787 VanDerWaalsContact C-N 3.29Å; P785-Q787 PolarHBondContact O-N 3.23Å; P785-Y788 HydrophobicContact CB-CD2 4.04Å; P785-Y788 HydrophobicContact CG-CD2 3.89Å; P785-Y788 HydrophobicContact CG-CG 4.11Å; P785-Y788 WeakPolarHBondContact O-CB 3.48Å; P785-Y788 PolarHBondContact O-N 3.32Å |
| 786 | H | 92.1 | Very high | 79.7 | Confident | 60 Ų | 60 | 78 Ų | 78 | 28% | 0.278 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -57.3 | -38.1 | -172.6 | -175.3 | 39.8 | 0 | 0 | 0 | 113.1 | R767 D770 D771 W773 V784 Y788 I789 | R767-H786 PolarHBondContact NH1-CD2 2.84Å; R767-H786 PolarHBondContact NH1-NE2 2.94Å; D770-H786 PolarHBondContact O-CD2 2.86Å; D771-H786 WeakPolarHBondContact O-CB 3.5Å; D771-H786 PolarHBondContact O-N 2.93Å; W773-H786 AromaticContact CD1-CG 4Å; W773-H786 AromaticContact CD1-ND1 3.83Å; W773-H786 AromaticContact NE1-CE1 3.78Å; W773-H786 AromaticContact NE1-CG 3.48Å; W773-H786 AromaticContact NE1-ND1 3.12Å; W773-H786 PolarHBondContact NE1-ND1 3.02Å; W773-H786 VanDerWaalsContact NE1-ND1 3.12Å; V784-H786 PolarHBondContact O-N 2.87Å; H786-Y788 PolarHBondContact O-N 3.09Å; H786-I789 WeakPolarHBondContact O-CG1 3.32Å; H786-I789 PolarHBondContact O-N 3.1Å |
| 787 | Q | 90.5 | Very high | 77 | Confident | 128 Ų | 128 | 78.7 Ų | 78.7 | 60% | 0.598 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -64.5 | -23.4 | 179.2 | -55.3 | -172 | 17.1 | 0 | 0 | 112.9 | D771 P785 | D771-Q787 PolarHBondContact OD1-NE2 3.02Å; P785-Q787 VanDerWaalsContact C-N 3.29Å; P785-Q787 PolarHBondContact O-N 3.23Å |
| 788 | Y | 90.4 | Very high | 74.2 | Confident | 82 Ų | 82 | 85.8 Ų | 85.8 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -90.9 | -0.3 | -177.1 | -75.8 | -107.4 | 0 | 0 | 0 | 113.8 | A742 K743 F744 Y746 P785 H786 | A742-Y788 CarbonylContact C-O 3.57Å; A742-Y788 WeakPolarHBondContact CA-O 3.2Å; K743-Y788 PolarHBondContact N-O 2.87Å; F744-Y788 HydrophobicContact CB-CD1 3.84Å; F744-Y788 HydrophobicContact CB-CE1 4.19Å; F744-Y788 HydrophobicContact CD2-CD1 4.43Å; Y746-Y788 AromaticContact CD2-CD1 3.62Å; Y746-Y788 HydrophobicContact CD2-CD1 3.62Å; Y746-Y788 HydrophobicContact CD2-CD2 4.19Å; Y746-Y788 AromaticContact CD2-CE1 3.65Å; Y746-Y788 HydrophobicContact CD2-CE1 3.65Å; Y746-Y788 HydrophobicContact CD2-CE2 4.2Å; Y746-Y788 AromaticContact CD2-CG 3.93Å; Y746-Y788 HydrophobicContact CD2-CG 3.93Å; Y746-Y788 AromaticContact CD2-CZ 3.95Å; Y746-Y788 HydrophobicContact CE2-CD2 4.49Å; Y746-Y788 HydrophobicContact CE2-CE1 4.39Å; Y746-Y788 HydrophobicContact CE2-CE2 4.28Å; Y746-Y788 HydrophobicContact CG-CD1 4.24Å; P785-Y788 HydrophobicContact CB-CD2 4.04Å; P785-Y788 HydrophobicContact CG-CD2 3.89Å; P785-Y788 HydrophobicContact CG-CG 4.11Å; P785-Y788 WeakPolarHBondContact O-CB 3.48Å; P785-Y788 PolarHBondContact O-N 3.32Å; H786-Y788 PolarHBondContact O-N 3.09Å |
| 789 | I | 91.9 | Very high | 71.7 | Confident | 3 Ų | 3 | 90.5 Ų | 90.5 | 2% | 0.015 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 164.2 | -172.9 | 65.2 | 176.4 | 0 | 0 | 0 | 113.2 | A740 V741 K743 F756 L762 L764 V784 H786 | A740-I789 HydrophobicContact CB-CB 4.45Å; A740-I789 HydrophobicContact CB-CD1 4.25Å; V741-I789 CarbonylContact O-C 3.47Å; V741-I789 WeakPolarHBondContact O-CA 3.38Å; K743-I789 WeakPolarHBondContact CD-O 3.44Å; K743-I789 WeakPolarHBondContact CE-O 3.4Å; K743-I789 PolarHBondContact NZ-O 3.14Å; F756-I789 HydrophobicContact CE2-CG2 4.34Å; F756-I789 HydrophobicContact CZ-CG2 4.15Å; L762-I789 HydrophobicContact CD1-CG2 3.52Å; L764-I789 HydrophobicContact CD1-CD1 3.67Å; L764-I789 HydrophobicContact CD2-CD1 3.99Å; L764-I789 HydrophobicContact CG-CD1 4.46Å; V784-I789 HydrophobicContact CG1-CD1 3.9Å; V784-I789 HydrophobicContact CG1-CG2 3.56Å; H786-I789 WeakPolarHBondContact O-CG1 3.32Å; H786-I789 PolarHBondContact O-N 3.1Å |
| 790 | T | 89.9 | Confident | 69.2 | Low | 67 Ų | 67 | 91.7 Ų | 91.7 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120.9 | 169.3 | -27 | 0 | 0 | 0 | 0 | 108.1 | A740 V741 K743 | A740-T790 CarbonylContact C-O 3.46Å; A740-T790 WeakPolarHBondContact CA-O 3.45Å; A740-T790 WeakPolarHBondContact CB-O 3.25Å; V741-T790 PolarHBondContact N-O 2.97Å; V741-T790 PolarHBondContact O-N 3.46Å; V741-T790 PolarHBondContact O-OG1 2.9Å; K743-T790 VanDerWaalsContact CE-OG1 3.23Å; K743-T790 WeakPolarHBondContact CE-OG1 3.33Å; K743-T790 WeakPolarHBondContact CG-OG1 3.44Å |
| 791 | I | 90.3 | Very high | 66.6 | Low | 57 Ų | 57 | 93 Ų | 93 | 29% | 0.292 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 139 | 169.6 | -73.6 | 164.2 | 0 | 0 | 0 | 108.8 | V738 A740 L764 W773 E793 | V738-I791 HydrophobicContact CG1-CB 4.33Å; V738-I791 HydrophobicContact CG1-CG1 4.1Å; V738-I791 HydrophobicContact CG1-CG2 3.47Å; V738-I791 VanDerWaalsContact CG1-CG2 3.47Å; A740-I791 HydrophobicContact CB-CG1 4.39Å; L764-I791 HydrophobicContact CD1-CD1 4.36Å; L764-I791 HydrophobicContact CD1-CG1 3.94Å; W773-I791 HydrophobicContact CH2-CD1 3.97Å; W773-I791 HydrophobicContact CZ2-CD1 3.65Å; I791-E793 HydrophobicContact CG2-CG 4.5Å |
| 792 | Q | 78.6 | Confident | 64.3 | Low | 115 Ų | 115 | 93.7 Ų | 93.7 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | trans | -101.4 | 114.7 | 167.3 | -65.3 | -167.6 | 2.5 | 0 | 0 | 108.9 | E739 | E739-Q792 PolarHBondContact O-N 3.28Š| ||
| 793 | E | 54.5 | Low | 61.3 | Low | 182 Ų | 182 | 101.9 Ų | 101.9 | 85% | 0.85 | 56% | 0.562 | S | S | * | * | trans | -77.3 | 127.6 | 172.5 | -66.5 | -179.8 | 168.2 | 0 | 0 | 109.6 | I791 S795 | I791-E793 HydrophobicContact CG2-CG 4.5Å; E793-S795 PolarHBondContact O-N 2.85Å; E793-S795 VanDerWaalsContact O-N 3.16Å | ||
| 794 | A | 43.2 | Very low | 58.8 | Low | 105 Ų | 105 | 105 Ų | 105 | 87% | 0.868 | 59% | 0.585 | S | S | * | * | trans | -72.7 | 105.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D796 | A794-D796 PolarHBondContact O-N 3.27Š| ||
| 795 | S | 33.7 | Very low | 55.6 | Low | 118 Ų | 118 | 113.2 Ų | 113.2 | 83% | 0.825 | 62% | 0.623 | S | S | * | * | trans | -81.2 | 105.3 | 177.2 | 63.4 | 0 | 0 | 0 | 0 | 111.6 | E793 | E793-S795 PolarHBondContact O-N 2.85Å; E793-S795 VanDerWaalsContact O-N 3.16Å | ||
| 796 | D | 33.2 | Very low | 52.7 | Low | 170 Ų | 170 | 119.8 Ų | 119.8 | 91% | 0.909 | 66% | 0.663 | S | S | * | * | trans | -71.8 | 154.8 | 174.7 | -162.8 | 11.9 | 0 | 0 | 0 | 112.4 | A794 | A794-D796 PolarHBondContact O-N 3.27Š| ||
| 797 | A | 34 | Very low | 49.4 | Very low | 77 Ų | 77 | 122.8 Ų | 122.8 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | trans | -124 | 143.2 | -152.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 798 | E | 31.4 | Very low | 46.4 | Very low | 178 Ų | 178 | 121.9 Ų | 121.9 | 83% | 0.832 | 69% | 0.689 | S | S | * | * | trans | 59.8 | 121.7 | 165.5 | -58.8 | -158 | 157.3 | 0 | 0 | 120 | ||||
| 799 | R | 31.4 | Very low | 43.5 | Very low | 241 Ų | 241 | 129.1 Ų | 129.1 | 91% | 0.909 | 72% | 0.716 | S | S | * | * | 175.7 | 116.9 | 103.4 | -175.8 | 177.3 | -50.6 | -108.6 | -9.1 | 113.6 | |||||
| 800 | G | 26.1 | Very low | 40.2 | Very low | 79 Ų | 79 | 137.9 Ų | 137.9 | 81% | 0.814 | 76% | 0.756 | S | S | * | * | trans | 126.1 | 91.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 801 | S | 30.5 | Very low | 37.1 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -82.1 | 167.6 | 166.5 | -69.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 802 | P | 41.1 | Very low | 34.3 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | -139.9 | 150.6 | 17.1 | 39.5 | -20.4 | 0 | 0 | 0 | 119.5 | ||||
| 803 | K | 27.7 | Very low | 31.7 | Very low | 188 Ų | 188 | 148.5 Ų | 148.5 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | 20.4 | 155.8 | 137.3 | -71.9 | -165.3 | 174.7 | -166.6 | 0 | 122.2 | ||||
| 804 | P | 39.9 | Very low | 30.5 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | cis | -120.4 | -176.5 | 11.9 | 40.4 | -22.9 | 0 | 0 | 0 | 112.6 | ||||
| 805 | E | 25.7 | Very low | 29.7 | Very low | 172 Ų | 172 | 154.5 Ų | 154.5 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | cis | -149 | 170.8 | 30.5 | -63.1 | -169.7 | 128.6 | 0 | 0 | 114.8 | ||||
| 806 | V | 29.9 | Very low | 29.2 | Very low | 146 Ų | 146 | 154.9 Ų | 154.9 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | 63.4 | 139.1 | 166.4 | -179.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 807 | D | 24.4 | Very low | 28.9 | Very low | 124 Ų | 124 | 151.4 Ų | 151.4 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | trans | -125.5 | 133 | -165.4 | -147.3 | -30.7 | 0 | 0 | 0 | 112.1 | ||||
| 808 | S | 26.6 | Very low | 28.4 | Very low | 109 Ų | 109 | 153.9 Ų | 153.9 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | 51.1 | 136.1 | 152.5 | -61.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 809 | R | 28.9 | Very low | 28.2 | Very low | 234 Ų | 234 | 157.5 Ų | 157.5 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -72.7 | 171.9 | 158 | -57.9 | 164.2 | 161.9 | 170.6 | -6.9 | 110.2 | ||||
| 810 | E | 23.3 | Very low | 28 | Very low | 187 Ų | 187 | 149.6 Ų | 149.6 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | -174.9 | 174.1 | 101.2 | -101.3 | -171.7 | -179.4 | 0 | 0 | 115.1 | |||||
| 811 | Q | 24.5 | Very low | 27.9 | Very low | 180 Ų | 180 | 152 Ų | 152 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -93.2 | -159.8 | -179.9 | -49.9 | 178.8 | -10.3 | 0 | 0 | 108.9 | ||||
| 812 | P | 31.1 | Very low | 27.9 | Very low | 107 Ų | 107 | 150.8 Ų | 150.8 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | cis | -135 | -168.5 | -11.5 | 37.6 | -16 | 0 | 0 | 0 | 115.1 | ||||
| 813 | E | 25.3 | Very low | 27.6 | Very low | 175 Ų | 175 | 151.5 Ų | 151.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -18.8 | 156 | 148.7 | -65.2 | 170.5 | 175.8 | 0 | 0 | 117.6 | ||||
| 814 | E | 28.2 | Very low | 27.6 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | cis | -161.6 | 150.1 | -4.3 | 165.1 | -170.5 | -151.7 | 0 | 0 | 107.3 | ||||
| 815 | R | 26.1 | Very low | 27.3 | Very low | 251 Ų | 251 | 148.1 Ų | 148.1 | 95% | 0.947 | 81% | 0.808 | S | S | * | * | trans | -161.1 | 150.4 | 154.4 | -114.2 | 167.1 | -162.1 | -171.8 | 6.1 | 114.1 | ||||
| 816 | V | 23.9 | Very low | 27.5 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | -95.5 | 144.8 | -164.1 | 165.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 817 | S | 26.1 | Very low | 27.4 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | 76.1 | 103.6 | 163.2 | -161.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 818 | T | 25.1 | Very low | 27.6 | Very low | 128 Ų | 128 | 141 Ų | 141 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | -172.9 | 144.9 | 93.4 | 24.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 819 | R | 26.2 | Very low | 28.2 | Very low | 254 Ų | 254 | 144.4 Ų | 144.4 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | trans | 70.6 | 145.6 | 163.3 | -136.6 | 169.1 | -173.1 | 168.1 | -0.3 | 116.2 | ||||
| 820 | G | 27.4 | Very low | 28.4 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 156 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 821 | S | 24.8 | Very low | 28.9 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 145.8 | -178.7 | -52.9 | 0 | 0 | 0 | 0 | 114 | ||
| 822 | A | 29.8 | Very low | 29.4 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 169.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 823 | P | 34.3 | Very low | 29.6 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -86.3 | 177.9 | -166.8 | 35.2 | -36.4 | 0 | 0 | 0 | 115.3 | ||||
| 824 | S | 28 | Very low | 29.9 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -63.7 | 157.6 | -179.7 | -113.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 825 | P | 33.8 | Very low | 30.4 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -92.1 | 146.4 | -177.2 | 36.2 | -34.2 | 0 | 0 | 0 | 114 | ||||
| 826 | T | 29.3 | Very low | 30.7 | Very low | 145 Ų | 145 | 123.2 Ų | 123.2 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | trans | -145.8 | 133.5 | 167.8 | -45.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 827 | G | 29.1 | Very low | 31.2 | Very low | 82 Ų | 82 | 124 Ų | 124 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | 93.6 | 116 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 828 | G | 27.9 | Very low | 31.7 | Very low | 66 Ų | 66 | 126.9 Ų | 126.9 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | trans | -163.7 | 15.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117 | V830 | G828-V830 PolarHBondContact O-N 3.47Š| ||
| 829 | H | 39.6 | Very low | 31.8 | Very low | 180 Ų | 180 | 129.9 Ų | 129.9 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 75 | -174.5 | -73.6 | -56.8 | 0 | 0 | 0 | 113.7 | ||
| 830 | V | 33.3 | Very low | 32 | Very low | 114 Ų | 114 | 126 Ų | 126 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | -29.7 | 168.8 | -172.1 | 0 | 0 | 0 | 0 | 113 | G828 D832 | G828-V830 PolarHBondContact O-N 3.47Å; V830-D832 PolarHBondContact O-N 2.82Å |
| 831 | A | 33.6 | Very low | 32.2 | Very low | 59 Ų | 59 | 132.7 Ų | 132.7 | 49% | 0.488 | 78% | 0.777 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.6 | -31.7 | -169 | 0 | 0 | 0 | 0 | 0 | 115.4 | I833 Y834 | A831-I833 VanDerWaalsContact C-N 3.31Å; A831-I833 PolarHBondContact O-N 2.95Å; A831-Y834 PolarHBondContact O-N 3.23Å |
| 832 | D | 33.7 | Very low | 32.5 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | H | α-helix | trans | -67.6 | -25.7 | -165.6 | -62.3 | -58.5 | 0 | 0 | 0 | 114.8 | V830 Y834 L835 | V830-D832 PolarHBondContact O-N 2.82Å; D832-Y834 VanDerWaalsContact C-N 3.32Å; D832-Y834 PolarHBondContact O-N 3.21Å; D832-L835 PolarHBondContact O-N 2.94Å |
| 833 | I | 36.1 | Very low | 32.6 | Very low | 140 Ų | 140 | 141 Ų | 141 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | H | α-helix | trans | -68.4 | -30.6 | -174.9 | -63.8 | 178.2 | 0 | 0 | 0 | 112 | A831 | A831-I833 VanDerWaalsContact C-N 3.31Å; A831-I833 PolarHBondContact O-N 2.95Å |
| 834 | Y | 32.4 | Very low | 32.5 | Very low | 192 Ų | 192 | 140.7 Ų | 140.7 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -80.8 | -26.8 | -177.7 | -106.4 | -96.2 | 0 | 0 | 0 | 113.9 | A831 D832 A836 | A831-Y834 PolarHBondContact O-N 3.23Å; D832-Y834 VanDerWaalsContact C-N 3.32Å; D832-Y834 PolarHBondContact O-N 3.21Å; Y834-A836 PolarHBondContact O-N 3.05Å |
| 835 | L | 37.3 | Very low | 32.6 | Very low | 140 Ų | 140 | 141 Ų | 141 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -80.6 | -13.8 | -169.2 | -138.8 | 72.3 | 0 | 0 | 0 | 114.3 | D832 N837 | D832-L835 PolarHBondContact O-N 2.94Å; L835-N837 PolarHBondContact O-N 3.14Å |
| 836 | A | 34.1 | Very low | 32.9 | Very low | 85 Ų | 85 | 141.2 Ų | 141.2 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -23.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y834 | Y834-A836 PolarHBondContact O-N 3.05Š|
| 837 | N | 32.3 | Very low | 32.7 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 0.6 | -165.1 | -78.4 | -63.1 | 0 | 0 | 0 | 116.2 | L835 | L835-N837 PolarHBondContact O-N 3.14Š|
| 838 | L | 36.8 | Very low | 32.9 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -127.5 | 50.1 | -164.6 | -87.1 | 163.8 | 0 | 0 | 0 | 115.8 | ||||
| 839 | K | 29.1 | Very low | 33 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | -137.8 | 96.7 | 173 | -72.6 | -176.8 | -179.7 | 169 | 0 | 114.9 | ||||
| 840 | L | 30.4 | Very low | 32.3 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | trans | -159.3 | 87.5 | 153.5 | -158.1 | 80.8 | 0 | 0 | 0 | 115.8 | ||||
| 841 | K | 30 | Very low | 32 | Very low | 214 Ų | 214 | 153.2 Ų | 153.2 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | trans | -166.5 | 164.9 | 140.4 | -114 | 169.1 | -176.9 | 178.5 | 0 | 113.1 | ||||
| 842 | K | 32.6 | Very low | 31.5 | Very low | 206 Ų | 206 | 153.7 Ų | 153.7 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | trans | -88.4 | 156.2 | -168.7 | -83.2 | -175.1 | 171.2 | -177.1 | 0 | 114.7 | ||||
| 843 | R | 31.2 | Very low | 30.9 | Very low | 193 Ų | 193 | 156.3 Ų | 156.3 | 73% | 0.728 | 78% | 0.78 | S | S | * | * | trans | -43.7 | 159.8 | 163.2 | -147.8 | -173.8 | -178 | 164.8 | -2 | 113.2 | E845 | R843-E845 IonicContact CZ-OE1 3.81Å; R843-E845 IonicContact NE-OE1 2.69Å; R843-E845 PolarHBondContact NE-OE1 3.06Å; R843-E845 IonicContact NH2-OE1 3.7Å; R843-E845 PolarHBondContact NH2-OE1 3.4Å | ||
| 844 | P | 32.8 | Very low | 30.5 | Very low | 123 Ų | 123 | 160.4 Ų | 160.4 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | -136.8 | 159.2 | 101.7 | 39.8 | -30.7 | 0 | 0 | 0 | 115.9 | |||||
| 845 | E | 30.2 | Very low | 30 | Very low | 119 Ų | 119 | 155.5 Ų | 155.5 | 56% | 0.556 | 78% | 0.78 | S | S | * | * | trans | -65.2 | 166.4 | 159.3 | -83.2 | -67.1 | 129.1 | 0 | 0 | 110.8 | R843 | R843-E845 IonicContact CZ-OE1 3.81Å; R843-E845 IonicContact NE-OE1 2.69Å; R843-E845 PolarHBondContact NE-OE1 3.06Å; R843-E845 IonicContact NH2-OE1 3.7Å; R843-E845 PolarHBondContact NH2-OE1 3.4Å | ||
| 846 | P | 39.6 | Very low | 29.4 | Very low | 122 Ų | 122 | 157.2 Ų | 157.2 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | cis | -152.6 | 171.2 | 39.4 | 43.2 | -22.6 | 0 | 0 | 0 | 120.5 | ||||
| 847 | G | 25.3 | Very low | 29 | Very low | 67 Ų | 67 | 157.1 Ų | 157.1 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | 117.3 | 113.9 | 118.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 848 | N | 33.3 | Very low | 28.7 | Very low | 168 Ų | 168 | 156.9 Ų | 156.9 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | -98.5 | 122.5 | 170.6 | -111.2 | -23 | 0 | 0 | 0 | 111.6 | ||||
| 849 | I | 28.9 | Very low | 28.2 | Very low | 168 Ų | 168 | 153.4 Ų | 153.4 | 86% | 0.862 | 77% | 0.766 | S | S | * | * | trans | -137.7 | 150.3 | 162.9 | -67.7 | -170.2 | 0 | 0 | 0 | 110.8 | ||||
| 850 | R | 25.3 | Very low | 28.1 | Very low | 216 Ų | 216 | 151.8 Ų | 151.8 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | trans | -96.8 | 170.6 | -163.5 | -57.7 | 163.2 | 166 | 165.9 | -9 | 115.2 | ||||
| 851 | R | 26 | Very low | 27.8 | Very low | 221 Ų | 221 | 148.7 Ų | 148.7 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | 104.8 | 153 | 149.3 | -62.1 | -165.8 | -162.6 | 92 | -8.8 | 117.1 | ||||
| 852 | A | 24.4 | Very low | 28.6 | Very low | 69 Ų | 69 | 144.1 Ų | 144.1 | 57% | 0.57 | 75% | 0.75 | S | S | * | * | cis | -175.6 | -178.7 | -23.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 853 | F | 21.7 | Very low | 28.4 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 77% | 0.768 | 74% | 0.744 | S | S | * | * | trans | 78.6 | 124.8 | 173.2 | -64.3 | -86.5 | 0 | 0 | 0 | 114.4 | ||||
| 854 | R | 26.2 | Very low | 28.4 | Very low | 225 Ų | 225 | 133.5 Ų | 133.5 | 85% | 0.849 | 74% | 0.742 | S | S | * | * | 70.1 | 144.6 | 66.7 | -78.9 | -157.4 | -172.3 | -158.9 | 2.9 | 112.1 | |||||
| 855 | S | 23.2 | Very low | 28.2 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 62% | 0.622 | 74% | 0.739 | S | S | * | * | cis | -147.9 | 150.7 | -0.1 | -165.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 856 | E | 23.4 | Very low | 28.1 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | 156.1 | 168.8 | 99.1 | -91.2 | 169.8 | 179.6 | 0 | 0 | 105.2 | |||||
| 857 | S | 27.2 | Very low | 27.6 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 58% | 0.58 | 75% | 0.749 | S | S | * | * | cis | -176.2 | 166.3 | -45.9 | 60.7 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 858 | D | 24.8 | Very low | 27.7 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | 71.3 | 147.7 | 166.1 | -61.8 | -64.7 | 0 | 0 | 0 | 121.2 | ||||
| 859 | S | 25.9 | Very low | 27.6 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | -179 | -179.7 | -51.2 | 48.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 860 | I | 26.8 | Very low | 27.5 | Very low | 157 Ų | 157 | 125.8 Ų | 125.8 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | trans | 83.4 | 107.2 | 159.7 | -60.2 | 163.4 | 0 | 0 | 0 | 117.7 | ||||
| 861 | S | 25.5 | Very low | 27.5 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | -92.9 | -157.5 | 156.9 | -42.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 862 | P | 46.9 | Very low | 27.7 | Very low | 118 Ų | 118 | 113.6 Ų | 113.6 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | cis | -140 | -160.9 | -2.5 | 43.2 | -22.3 | 0 | 0 | 0 | 115 | ||||
| 863 | A | 28.4 | Very low | 28 | Very low | 93 Ų | 93 | 121.1 Ų | 121.1 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | 73.8 | 153.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 864 | A | 31 | Very low | 28.3 | Very low | 84 Ų | 84 | 119.1 Ų | 119.1 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | cis | -166.6 | 161 | -23.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 865 | S | 27.7 | Very low | 28.8 | Very low | 105 Ų | 105 | 112.6 Ų | 112.6 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | 61.8 | 135.8 | 143.7 | 61.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 866 | S | 28.6 | Very low | 29.8 | Very low | 102 Ų | 102 | 113.7 Ų | 113.7 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | 97.6 | 120.6 | 132.2 | 72.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 867 | S | 29.8 | Very low | 30.1 | Very low | 120 Ų | 120 | 112.8 Ų | 112.8 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | 55.7 | 142.8 | 133.5 | 65.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 868 | G | 26.9 | Very low | 30.2 | Very low | 81 Ų | 81 | 115.1 Ų | 115.1 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | 153.2 | 132.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 869 | A | 30.8 | Very low | 30.3 | Very low | 109 Ų | 109 | 112.3 Ų | 112.3 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -138 | 153 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 870 | G | 26.7 | Very low | 30.4 | Very low | 87 Ų | 87 | 112.1 Ų | 112.1 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | 91.8 | 148 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 871 | G | 26.4 | Very low | 30.5 | Very low | 84 Ų | 84 | 109.6 Ų | 109.6 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | 151.6 | 124 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 872 | A | 29.1 | Very low | 30.6 | Very low | 97 Ų | 97 | 113.1 Ų | 113.1 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -149.7 | 168.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 873 | R | 30.5 | Very low | 29.7 | Very low | 228 Ų | 228 | 112.8 Ų | 112.8 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | 99 | 119.4 | 159.4 | -62.3 | -169.4 | 167.5 | -161.2 | -3.1 | 120.4 | ||||
| 874 | T | 29.5 | Very low | 29.7 | Very low | 132 Ų | 132 | 116.5 Ų | 116.5 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | 73.2 | 125.1 | 129.2 | 57.8 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 875 | A | 36.4 | Very low | 29.5 | Very low | 89 Ų | 89 | 117.9 Ų | 117.9 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -57.1 | -177.8 | 157 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 876 | P | 43.1 | Very low | 29.6 | Very low | 111 Ų | 111 | 118 Ų | 118 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | -145 | 138.4 | 127.4 | 27.1 | -7.2 | 0 | 0 | 0 | 118.1 | |||||
| 877 | L | 31 | Very low | 29.4 | Very low | 159 Ų | 159 | 116.9 Ų | 116.9 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | 65 | 153.4 | 140.5 | -53 | 169.3 | 0 | 0 | 0 | 118.9 | ||||
| 878 | T | 27.8 | Very low | 29.4 | Very low | 131 Ų | 131 | 118 Ų | 118 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | cis | -161.6 | 175.8 | -6.1 | 9.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 879 | G | 27.1 | Very low | 29.4 | Very low | 78 Ų | 78 | 122.7 Ų | 122.7 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | cis | 112.4 | 122.3 | 7.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 880 | G | 28.3 | Very low | 29.2 | Very low | 80 Ų | 80 | 128.9 Ų | 128.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | cis | 175.3 | -170.9 | -4.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 881 | A | 30 | Very low | 30.4 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 82.1 | 112.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 882 | Q | 27.1 | Very low | 30.5 | Very low | 184 Ų | 184 | 131.9 Ų | 131.9 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | 49.3 | 133.8 | 129.7 | -85.2 | -165.3 | -45.2 | 0 | 0 | 128.5 | |||||
| 883 | V | 27 | Very low | 30.5 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 67% | 0.673 | 78% | 0.78 | S | S | * | * | 95.6 | 123.5 | 127.7 | 164.8 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 884 | K | 28.3 | Very low | 30.4 | Very low | 171 Ų | 171 | 125.6 Ų | 125.6 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | 59.3 | 162.5 | 155.4 | -84.7 | 173.9 | 155 | -95.5 | 0 | 119 | ||||
| 885 | D | 28.6 | Very low | 30.5 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 60% | 0.599 | 77% | 0.772 | S | S | * | * | cis | -164 | 173.6 | -1 | -115.8 | -24.2 | 0 | 0 | 0 | 107.4 | ||||
| 886 | S | 28.3 | Very low | 30 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | cis | -171.2 | 165.5 | -24 | -119 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 887 | G | 25.9 | Very low | 29.5 | Very low | 78 Ų | 78 | 132.3 Ų | 132.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 110.4 | 148.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 888 | D | 28.3 | Very low | 29.3 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | cis | -158.4 | 165.2 | -2 | -176.9 | 30.2 | 0 | 0 | 0 | 112.3 | ||||
| 889 | K | 28.5 | Very low | 29.2 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 79% | 0.787 | 78% | 0.777 | S | S | * | * | trans | 92.4 | 159.8 | 164.4 | -49.9 | -167.6 | -179.4 | 175.6 | 0 | 120.2 | ||||
| 890 | R | 26.6 | Very low | 29.2 | Very low | 238 Ų | 238 | 135.3 Ų | 135.3 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | -166.6 | -178.8 | -152.9 | -116.8 | -175.5 | -172.6 | -172.7 | 5.3 | 108 | ||||
| 891 | P | 50.4 | Low | 29.2 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | cis | -139.8 | -166 | -8.9 | 24.9 | 2.2 | 0 | 0 | 0 | 115.2 | ||||
| 892 | V | 28.2 | Very low | 29.2 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 101.6 | 97.5 | 148 | -166.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 893 | S | 29.1 | Very low | 29.4 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | 80.1 | 120.7 | 126.3 | -152.7 | 0 | 0 | 0 | 0 | 126.2 | |||||
| 894 | A | 29.2 | Very low | 29.5 | Very low | 83 Ų | 83 | 140.4 Ų | 140.4 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | trans | 63.5 | 111.5 | 132.4 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 895 | H | 31.6 | Very low | 29.4 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | 46.2 | 140.4 | 121.6 | -99.2 | -86 | 0 | 0 | 0 | 124.9 | |||||
| 896 | N | 26 | Very low | 29.4 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 102 | 162.2 | 148.8 | -66.8 | -10.9 | 0 | 0 | 0 | 120.6 | ||||
| 897 | I | 31.7 | Very low | 29.6 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -108.8 | 137.6 | -152.2 | -58.8 | 157.7 | 0 | 0 | 0 | 111.4 | ||||
| 898 | L | 26.7 | Very low | 29.6 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -163.1 | 165.3 | 138.4 | -135.4 | 72.7 | 0 | 0 | 0 | 114 | ||||
| 899 | N | 27.2 | Very low | 29.7 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | -74.7 | 161.2 | -177.5 | -58.7 | -41 | 0 | 0 | 0 | 114.1 | ||||
| 900 | S | 27 | Very low | 29.5 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -136.9 | 158.1 | 154.7 | 65.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 901 | V | 27.7 | Very low | 29.6 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | trans | -140.4 | 129.7 | -167.6 | 172.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 902 | T | 29.6 | Very low | 28.2 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -146.8 | 131.2 | 167.8 | 19.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 903 | R | 31.3 | Very low | 28.2 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 73% | 0.725 | 77% | 0.766 | S | S | * | * | cis | 63.8 | 126.1 | 30.1 | -60.1 | -172.3 | 177 | -133.3 | 11.7 | 113 | ||||
| 904 | H | 28.9 | Very low | 28.8 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | cis | -161.4 | 143.1 | 3.1 | -109.7 | -44.3 | 0 | 0 | 0 | 113.5 | ||||
| 905 | S | 27.4 | Very low | 28.7 | Very low | 86 Ų | 86 | 143.8 Ų | 143.8 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | trans | 41 | 138.3 | 139 | 66.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 906 | S | 28.1 | Very low | 28.5 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | 179.4 | 164.4 | 121.4 | -80.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 907 | L | 32.3 | Very low | 28.4 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | 175.3 | 134.8 | -54.6 | -108.2 | 174.5 | 0 | 0 | 0 | 110.4 | |||||
| 908 | K | 26.6 | Very low | 28.4 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | 168.8 | 107.2 | 148.6 | -96.4 | 164.2 | 179.9 | 178.8 | 0 | 110.3 | ||||
| 909 | T | 28.9 | Very low | 28.4 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | 63.2 | 136.2 | 85.4 | 63.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 910 | K | 24.3 | Very low | 28.5 | Very low | 188 Ų | 188 | 144 Ų | 144 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | cis | -131.8 | 148.9 | 29.3 | -93.3 | -174.4 | 174.2 | -174.3 | 0 | 112 | ||||
| 911 | V | 29.2 | Very low | 28.9 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | 60.2 | 121.3 | 77 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 912 | E | 22 | Very low | 29.1 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | -153.7 | 170.3 | 58.3 | -158 | 152 | -126.6 | 0 | 0 | 115.8 | |||||
| 913 | S | 26.8 | Very low | 28.9 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -161.1 | 151 | 173.3 | -61.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 914 | P | 41.6 | Very low | 28.7 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | -156.1 | 142.2 | 122.5 | 33.9 | -13.8 | 0 | 0 | 0 | 118.5 | |||||
| 915 | Q | 28.1 | Very low | 28.5 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 70.4 | 157.1 | 134.3 | -63.7 | 178 | 30.2 | 0 | 0 | 119.3 | ||||
| 916 | L | 26.3 | Very low | 28.5 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | cis | -163.9 | 169.2 | -7 | -121.5 | 175.3 | 0 | 0 | 0 | 113.2 | ||||
| 917 | R | 25.7 | Very low | 28.4 | Very low | 223 Ų | 223 | 146.1 Ų | 146.1 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | 90.4 | 147.4 | 153.7 | -76.6 | 171.2 | -170.8 | 126.2 | 4 | 121.1 | ||||
| 918 | K | 31.7 | Very low | 28 | Very low | 209 Ų | 209 | 149.4 Ų | 149.4 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -89.6 | 155.9 | 177.6 | -53.2 | 169 | 175.7 | 179 | 0 | 111.1 | ||||
| 919 | A | 24.8 | Very low | 28 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -159.7 | 145.3 | 138.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 920 | T | 29.6 | Very low | 27.8 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -109.6 | 144.2 | 158.6 | -43.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 921 | P | 35.4 | Very low | 28 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | -140.9 | 162.7 | 126.3 | 37.4 | -25.7 | 0 | 0 | 0 | 113.3 | |||||
| 922 | A | 31.9 | Very low | 27.9 | Very low | 105 Ų | 105 | 151.9 Ų | 151.9 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -81.2 | 145.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 923 | G | 25.4 | Very low | 28.4 | Very low | 84 Ų | 84 | 149.4 Ų | 149.4 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -150.4 | 113.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 924 | R | 28.3 | Very low | 28.6 | Very low | 244 Ų | 244 | 152.2 Ų | 152.2 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -104.4 | 120.1 | -174.1 | 170.7 | -165.8 | -171.7 | -176.9 | 5.2 | 110.4 | ||||
| 925 | S | 24.5 | Very low | 28 | Very low | 102 Ų | 102 | 154.3 Ų | 154.3 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | trans | 177.2 | 134.6 | 142.1 | -87.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 926 | K | 26.9 | Very low | 28.3 | Very low | 198 Ų | 198 | 151.5 Ų | 151.5 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | 59.6 | 119.3 | 136.7 | -61.5 | -179.6 | 179.3 | -177.7 | 0 | 121.1 | ||||
| 927 | S | 26.3 | Very low | 28.7 | Very low | 102 Ų | 102 | 154.2 Ų | 154.2 | 71% | 0.713 | 83% | 0.825 | S | S | * | * | trans | -45.4 | 148.7 | 159.7 | 173.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 928 | F | 23.3 | Very low | 29.4 | Very low | 213 Ų | 213 | 150.2 Ų | 150.2 | 93% | 0.934 | 83% | 0.825 | S | S | * | * | -138.6 | 147.7 | 125.8 | -102.2 | -75.9 | 0 | 0 | 0 | 110.6 | |||||
| 929 | S | 26.3 | Very low | 29.7 | Very low | 82 Ų | 82 | 147.4 Ų | 147.4 | 57% | 0.573 | 82% | 0.818 | S | S | * | * | trans | -83.6 | 151.2 | 179.3 | -178.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 930 | N | 24.5 | Very low | 30.3 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -162.7 | 80.6 | 146.9 | -100.3 | -27.7 | 0 | 0 | 0 | 110.4 | ||||
| 931 | H | 28.8 | Very low | 30.6 | Very low | 180 Ų | 180 | 146.2 Ų | 146.2 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | trans | -81 | 143.4 | 158.9 | -76.1 | -94.7 | 0 | 0 | 0 | 109.8 | ||||
| 932 | R | 27.5 | Very low | 30.6 | Very low | 239 Ų | 239 | 146.5 Ų | 146.5 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -121.5 | 129.3 | 156.9 | -139.3 | -178.9 | -162.5 | -145.8 | 2.4 | 107.1 | ||||
| 933 | P | 32.9 | Very low | 30.7 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -68.2 | 159.8 | -178.8 | -19.8 | 32.9 | 0 | 0 | 0 | 112.9 | ||||
| 934 | L | 30.6 | Very low | 31.2 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -109.2 | 155.4 | 155.8 | -70.4 | 171 | 0 | 0 | 0 | 108 | ||||
| 935 | D | 28.4 | Very low | 31.5 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -72.3 | 147.7 | -168.6 | -79.9 | -60.9 | 0 | 0 | 0 | 114.9 | E937 | D935-E937 PolarHBondContact O-N 3.19Š| ||
| 936 | P | 36.2 | Very low | 32.1 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -91.8 | 39 | -173.7 | 39.1 | -38.4 | 0 | 0 | 0 | 114.7 | ||
| 937 | E | 34.5 | Very low | 32.7 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | trans | -106.5 | 6.4 | -178.7 | -72.1 | -162.2 | 147.1 | 0 | 0 | 115.4 | D935 | D935-E937 PolarHBondContact O-N 3.19Š| ||
| 938 | V | 39.8 | Very low | 33.1 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 85% | 0.848 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -114.6 | 14.2 | -178.5 | -159.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 939 | I | 37.8 | Very low | 33.9 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -126.4 | 33.8 | 175.6 | -36.4 | -178 | 0 | 0 | 0 | 110.9 | ||
| 940 | G | 38 | Very low | 34.5 | Very low | 44 Ų | 44 | 135.3 Ų | 135.3 | 45% | 0.454 | 72% | 0.72 | S | S | . | * | S | Bend | trans | -104.8 | -14.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 941 | H | 35.1 | Very low | 35 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -114.3 | 12.8 | -163.8 | -84.6 | -61.4 | 0 | 0 | 0 | 116 | ||
| 942 | V | 34.8 | Very low | 35.6 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 75% | 0.752 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -117.6 | -27.9 | 178.6 | -177.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 943 | E | 35.6 | Very low | 36.1 | Very low | 145 Ų | 145 | 118.8 Ų | 118.8 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -76.5 | -37.8 | 176.5 | -73.3 | -179 | 124.9 | 0 | 0 | 112.9 | T945 A946 | E943-T945 PolarHBondContact O-N 2.97Å; E943-T945 VanDerWaalsContact O-N 3.15Å; E943-A946 PolarHBondContact O-N 3.18Å |
| 944 | L | 34.8 | Very low | 36.4 | Very low | 112 Ų | 112 | 117.9 Ų | 117.9 | 59% | 0.586 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -61.1 | -26.3 | -176.1 | -78.8 | 168.5 | 0 | 0 | 0 | 114.5 | ||
| 945 | T | 35.7 | Very low | 36.7 | Very low | 100 Ų | 100 | 112.4 Ų | 112.4 | 61% | 0.613 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -83.6 | -10.7 | 178.4 | 5.6 | 0 | 0 | 0 | 0 | 114.1 | E943 | E943-T945 PolarHBondContact O-N 2.97Å; E943-T945 VanDerWaalsContact O-N 3.15Å |
| 946 | A | 37.3 | Very low | 37.2 | Very low | 54 Ų | 54 | 110.6 Ų | 110.6 | 45% | 0.446 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -83.1 | -38.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E943 T949 | E943-A946 PolarHBondContact O-N 3.18Å; A946-T949 PolarHBondContact O-N 3.16Å |
| 947 | Q | 38.4 | Very low | 37.1 | Very low | 115 Ų | 115 | 111.1 Ų | 111.1 | 54% | 0.537 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.7 | -49.4 | -174.4 | -77.2 | 175.4 | -93.7 | 0 | 0 | 113.1 | T949 Q950 D951 | Q947-T949 PolarHBondContact O-N 3.32Å; Q947-Q950 PolarHBondContact O-N 2.86Å; Q947-D951 PolarHBondContact O-N 2.62Å |
| 948 | D | 35 | Very low | 37.2 | Very low | 125 Ų | 125 | 105 Ų | 105 | 67% | 0.668 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -55.1 | -27.6 | 179.9 | -73.2 | -12.1 | 0 | 0 | 0 | 113.5 | S952 | D948-S952 WeakPolarHBondContact O-CB 3.49Å; D948-S952 PolarHBondContact O-N 3.45Å |
| 949 | T | 40.3 | Very low | 36.8 | Very low | 105 Ų | 105 | 103.7 Ų | 103.7 | 64% | 0.644 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -80 | -26.9 | -179.2 | -50.5 | 0 | 0 | 0 | 0 | 112.7 | A946 Q947 | A946-T949 PolarHBondContact O-N 3.16Å; Q947-T949 PolarHBondContact O-N 3.32Å |
| 950 | Q | 38.4 | Very low | 36.6 | Very low | 139 Ų | 139 | 105.5 Ų | 105.5 | 65% | 0.65 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -85.3 | -42.6 | 177.1 | -71.5 | -167.8 | -116.3 | 0 | 0 | 112.2 | Q947 S952 A953 L954 | Q947-Q950 PolarHBondContact O-N 2.86Å; Q950-S952 VanDerWaalsContact C-N 3.27Å; Q950-S952 PolarHBondContact O-N 3.01Å; Q950-A953 PolarHBondContact O-N 3.3Å; Q950-A953 VanDerWaalsContact O-N 3.13Å; Q950-L954 PolarHBondContact O-N 3.42Å |
| 951 | D | 36.3 | Very low | 36.3 | Very low | 102 Ų | 102 | 111.6 Ų | 111.6 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.3 | -32.4 | -179.7 | -72.3 | -20.3 | 0 | 0 | 0 | 112 | Q947 A953 L954 S955 | Q947-D951 PolarHBondContact O-N 2.62Å; D951-A953 PolarHBondContact O-N 3.23Å; D951-L954 PolarHBondContact O-N 3.37Å; D951-S955 VanDerWaalsContact O-CB 3.28Å; D951-S955 WeakPolarHBondContact O-CB 3.43Å; D951-S955 PolarHBondContact O-N 3.49Å |
| 952 | S | 40.2 | Very low | 36.1 | Very low | 79 Ų | 79 | 112.6 Ų | 112.6 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.5 | -37.6 | 173.5 | -166.4 | 0 | 0 | 0 | 0 | 112.8 | D948 Q950 S955 E956 | D948-S952 WeakPolarHBondContact O-CB 3.49Å; D948-S952 PolarHBondContact O-N 3.45Å; Q950-S952 VanDerWaalsContact C-N 3.27Å; Q950-S952 PolarHBondContact O-N 3.01Å; S952-S955 PolarHBondContact O-N 2.87Å; S952-E956 PolarHBondContact O-N 3.24Å |
| 953 | A | 37.2 | Very low | 35.9 | Very low | 59 Ų | 59 | 115.4 Ų | 115.4 | 49% | 0.488 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.5 | -36.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q950 D951 S955 E956 L957 | Q950-A953 PolarHBondContact O-N 3.3Å; Q950-A953 VanDerWaalsContact O-N 3.13Å; D951-A953 PolarHBondContact O-N 3.23Å; A953-S955 VanDerWaalsContact C-N 3.35Å; A953-E956 PolarHBondContact O-N 2.77Å; A953-L957 PolarHBondContact O-N 3.35Å |
| 954 | L | 40 | Very low | 35.5 | Very low | 104 Ų | 104 | 114.4 Ų | 114.4 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.7 | -28.7 | 175 | -65.1 | 172.5 | 0 | 0 | 0 | 112.3 | Q950 D951 E956 S958 | Q950-L954 PolarHBondContact O-N 3.42Å; D951-L954 PolarHBondContact O-N 3.37Å; L954-E956 VanDerWaalsContact C-N 3.32Å; L954-E956 PolarHBondContact O-N 3.43Å; L954-S958 WeakPolarHBondContact O-CB 3.38Å; L954-S958 PolarHBondContact O-N 2.81Å; L954-S958 VanDerWaalsContact O-N 3.12Å; L954-S958 PolarHBondContact O-OG 3.47Å |
| 955 | S | 36.3 | Very low | 35.2 | Very low | 55 Ų | 55 | 115.1 Ų | 115.1 | 39% | 0.385 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.2 | -25.7 | 174.7 | -167.7 | 0 | 0 | 0 | 0 | 113.5 | D951 S952 A953 K959 | D951-S955 VanDerWaalsContact O-CB 3.28Å; D951-S955 WeakPolarHBondContact O-CB 3.43Å; D951-S955 PolarHBondContact O-N 3.49Å; S952-S955 PolarHBondContact O-N 2.87Å; A953-S955 VanDerWaalsContact C-N 3.35Å; S955-K959 VanDerWaalsContact O-CD 3.27Å; S955-K959 WeakPolarHBondContact O-CD 3.49Å; S955-K959 WeakPolarHBondContact O-CE 3.26Å; S955-K959 VanDerWaalsContact O-CG 3.29Å; S955-K959 WeakPolarHBondContact O-CG 3.47Å |
| 956 | E | 38.7 | Very low | 34.7 | Very low | 109 Ų | 109 | 115.6 Ų | 115.6 | 51% | 0.509 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -81.3 | -41.8 | 173.8 | -71 | -62.2 | 106.5 | 0 | 0 | 112.6 | S952 A953 L954 S958 K959 | S952-E956 PolarHBondContact O-N 3.24Å; A953-E956 PolarHBondContact O-N 2.77Å; L954-E956 VanDerWaalsContact C-N 3.32Å; L954-E956 PolarHBondContact O-N 3.43Å; E956-S958 PolarHBondContact O-N 3.14Å; E956-K959 PolarHBondContact O-N 3.38Å; E956-K959 IonicContact OE1-NZ 3.58Å; E956-K959 PolarHBondContact OE1-NZ 2.97Å |
| 957 | L | 35.3 | Very low | 34.3 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 67% | 0.67 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.6 | -45.5 | 176.2 | -77.4 | 163.7 | 0 | 0 | 0 | 111.7 | A953 K959 F960 | A953-L957 PolarHBondContact O-N 3.35Å; L957-K959 PolarHBondContact O-N 2.87Å; L957-F960 PolarHBondContact O-N 3.14Å; L957-F960 VanDerWaalsContact O-N 3.15Å |
| 958 | S | 35.8 | Very low | 33.7 | Very low | 50 Ų | 50 | 124.9 Ų | 124.9 | 35% | 0.35 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -71.4 | 7.7 | 179.8 | 60.1 | 0 | 0 | 0 | 0 | 115.6 | L954 E956 R962 | L954-S958 WeakPolarHBondContact O-CB 3.38Å; L954-S958 PolarHBondContact O-N 2.81Å; L954-S958 VanDerWaalsContact O-N 3.12Å; L954-S958 PolarHBondContact O-OG 3.47Å; E956-S958 PolarHBondContact O-N 3.14Å; S958-R962 PolarHBondContact O-NE 2.72Å; S958-R962 PolarHBondContact O-NH2 2.87Å |
| 959 | K | 33 | Very low | 33.4 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 49% | 0.491 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -99 | -29.7 | 169 | -72 | 166.7 | -169.5 | 168.5 | 0 | 113.4 | S955 E956 L957 | S955-K959 VanDerWaalsContact O-CD 3.27Å; S955-K959 WeakPolarHBondContact O-CD 3.49Å; S955-K959 WeakPolarHBondContact O-CE 3.26Å; S955-K959 VanDerWaalsContact O-CG 3.29Å; S955-K959 WeakPolarHBondContact O-CG 3.47Å; E956-K959 PolarHBondContact O-N 3.38Å; E956-K959 IonicContact OE1-NZ 3.58Å; E956-K959 PolarHBondContact OE1-NZ 2.97Å; L957-K959 PolarHBondContact O-N 2.87Å |
| 960 | F | 32.2 | Very low | 32.7 | Very low | 187 Ų | 187 | 128.3 Ų | 128.3 | 82% | 0.82 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.4 | -27.2 | 179.3 | -94.2 | -84.6 | 0 | 0 | 0 | 113 | L957 R962 | L957-F960 PolarHBondContact O-N 3.14Å; L957-F960 VanDerWaalsContact O-N 3.15Å; F960-R962 PolarHBondContact O-N 3.44Å |
| 961 | E | 31.9 | Very low | 32.2 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 80% | 0.799 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 10.8 | -177.2 | -155 | 166.1 | -133.9 | 0 | 0 | 114.1 | ||
| 962 | R | 31.7 | Very low | 32.1 | Very low | 188 Ų | 188 | 128.6 Ų | 128.6 | 71% | 0.709 | 68% | 0.681 | S | S | * | * | trans | -121.5 | 38.6 | -170.9 | -113.7 | -174.9 | -62.8 | -179.7 | 0.3 | 115.5 | S958 F960 | S958-R962 PolarHBondContact O-NE 2.72Å; S958-R962 PolarHBondContact O-NH2 2.87Å; F960-R962 PolarHBondContact O-N 3.44Å | ||
| 963 | Q | 30 | Very low | 31.5 | Very low | 184 Ų | 184 | 132 Ų | 132 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | trans | -133.2 | 64.4 | 169.2 | -65.9 | -163.5 | 14.3 | 0 | 0 | 113.4 | ||||
| 964 | T | 27.3 | Very low | 31.2 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | trans | -131.3 | 125.1 | 165.7 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | S966 | T964-S966 PolarHBondContact O-N 3.13Š| ||
| 965 | P | 27.8 | Very low | 30.8 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | trans | -80.7 | 115.5 | -171 | 30.2 | -34.3 | 0 | 0 | 0 | 113.3 | K967 | P965-K967 PolarHBondContact O-N 3.38Š| ||
| 966 | S | 26.4 | Very low | 30.4 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | -73.1 | 106.1 | 175.7 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | T964 H968 | T964-S966 PolarHBondContact O-N 3.13Å; S966-H968 PolarHBondContact O-N 2.7Å | ||
| 967 | K | 27.3 | Very low | 30.1 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | -77.1 | 103 | 170.3 | -74.8 | -176.6 | 176.6 | 177.2 | 0 | 111 | P965 | P965-K967 PolarHBondContact O-N 3.38Š| ||
| 968 | H | 26.8 | Very low | 30 | Very low | 169 Ų | 169 | 141.8 Ų | 141.8 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | trans | -90.9 | 113.9 | 161.4 | -85.9 | -2.7 | 0 | 0 | 0 | 110 | S966 | S966-H968 PolarHBondContact O-N 2.7Š| ||
| 969 | T | 27.8 | Very low | 29.7 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -93.9 | 104.4 | 173.2 | -52.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 970 | H | 26.5 | Very low | 29.5 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | trans | -73.7 | 135.7 | 164.3 | -79.2 | -89.8 | 0 | 0 | 0 | 110.2 | ||||
| 971 | T | 26.9 | Very low | 29.4 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -117.1 | 133.3 | 164.6 | 49.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 972 | P | 35.5 | Very low | 29.2 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -79.8 | 153 | -175.5 | 32.8 | -35.6 | 0 | 0 | 0 | 112.7 | ||||
| 973 | D | 27.2 | Very low | 29.1 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -91.8 | 135.6 | 179.1 | -158.2 | -6.2 | 0 | 0 | 0 | 110.8 | ||||
| 974 | V | 31.8 | Very low | 29 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | -140.7 | 115.5 | 173.9 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 975 | V | 30.4 | Very low | 28.9 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 67% | 0.667 | 79% | 0.785 | S | S | * | * | trans | -85.6 | 136 | -172.1 | 177.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 976 | L | 29.3 | Very low | 28.8 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 94% | 0.942 | 79% | 0.787 | S | S | * | * | trans | -141.6 | 154.1 | 141.9 | -98.5 | 175.7 | 0 | 0 | 0 | 109.5 | ||||
| 977 | D | 32 | Very low | 28.7 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 65% | 0.652 | 79% | 0.787 | S | S | * | * | trans | -133.2 | 176.6 | -147.4 | -172.2 | 19.4 | 0 | 0 | 0 | 113.4 | ||||
| 978 | T | 32.1 | Very low | 28.5 | Very low | 115 Ų | 115 | 137 Ų | 137 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | 79.4 | 143.8 | 169.3 | 76.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 979 | L | 30.8 | Very low | 28.3 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | cis | -169.9 | 168 | -24.2 | -130.3 | 69.3 | 0 | 0 | 0 | 106.6 | ||||
| 980 | E | 28.8 | Very low | 28.1 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 66% | 0.659 | 80% | 0.797 | S | S | * | * | cis | -155.8 | 154.2 | -3.1 | -159.5 | 162.1 | -156.1 | 0 | 0 | 113.5 | ||||
| 981 | Q | 28.4 | Very low | 28.2 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 70% | 0.696 | 80% | 0.797 | S | S | * | * | trans | 18 | 122.2 | 154.7 | -63.6 | 173.7 | 53.4 | 0 | 0 | 124.8 | ||||
| 982 | L | 29.1 | Very low | 28.1 | Very low | 161 Ų | 161 | 131 Ų | 131 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | 35.3 | 124.2 | 110.1 | -76.2 | 157.9 | 0 | 0 | 0 | 121.5 | |||||
| 983 | K | 29.7 | Very low | 28.1 | Very low | 213 Ų | 213 | 130.3 Ų | 130.3 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | -167.2 | 157.5 | 116 | -117.5 | 170.6 | -175 | 168 | 0 | 115 | |||||
| 984 | G | 26.3 | Very low | 28 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 179.2 | 63.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 985 | M | 25.6 | Very low | 27.7 | Very low | 185 Ų | 185 | 127 Ų | 127 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -130.7 | 142.2 | 173.5 | -172.8 | 67.7 | 77.9 | 0 | 0 | 109.4 | ||||
| 986 | S | 26.3 | Very low | 28.4 | Very low | 125 Ų | 125 | 127 Ų | 127 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -101.8 | 142.7 | -174.4 | -171 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 987 | G | 24 | Very low | 28.4 | Very low | 75 Ų | 75 | 125.5 Ų | 125.5 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 169.2 | 65.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 988 | G | 22.7 | Very low | 28.2 | Very low | 88 Ų | 88 | 126.7 Ų | 126.7 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | trans | 46.2 | 126.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 989 | G | 24.3 | Very low | 28 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -177.1 | 147.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 990 | A | 23.6 | Very low | 28 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -81.6 | 170.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 991 | S | 27.8 | Very low | 27.9 | Very low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | cis | -159 | 159.6 | 23.5 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 992 | E | 23.9 | Very low | 27.7 | Very low | 166 Ų | 166 | 127.6 Ų | 127.6 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -67.1 | 172.6 | 164.5 | -108.5 | -168.6 | 167.8 | 0 | 0 | 112.9 | ||||
| 993 | P | 36.2 | Very low | 27.6 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | cis | -135.5 | -172.8 | 33.4 | 42.4 | -21.8 | 0 | 0 | 0 | 114.7 | ||||
| 994 | S | 25.9 | Very low | 27.4 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | cis | -150.5 | 153.2 | 15.9 | -38.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 995 | S | 24.1 | Very low | 27.2 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -56.6 | 169.8 | 162.9 | -103.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 996 | P | 45.9 | Very low | 27.1 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -139.2 | 179.3 | 40.5 | 37.6 | -14.3 | 0 | 0 | 0 | 115.4 | ||||
| 997 | L | 28.7 | Very low | 27.1 | Very low | 147 Ų | 147 | 123.2 Ų | 123.2 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | cis | -147.2 | 144 | 35.5 | -85 | 166.2 | 0 | 0 | 0 | 114.9 | ||||
| 998 | H | 28.6 | Very low | 27.4 | Very low | 147 Ų | 147 | 123.1 Ų | 123.1 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | trans | 32.3 | 143.6 | 135.8 | -83 | 18.4 | 0 | 0 | 0 | 123 | ||||
| 999 | S | 28.3 | Very low | 27.9 | Very low | 89 Ų | 89 | 124 Ų | 124 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | cis | -170.4 | 141.7 | 5.7 | 50.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1000 | R | 29.1 | Very low | 28 | Very low | 203 Ų | 203 | 124 Ų | 124 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | 67.5 | 146 | 128.6 | -70.4 | -179.4 | 177.7 | -173.4 | -0.4 | 119.6 | |||||
| 1001 | L | 27 | Very low | 28.4 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 67% | 0.665 | 73% | 0.731 | S | S | * | * | cis | -147.1 | 141.1 | -3.1 | -98 | 149.3 | 0 | 0 | 0 | 106.8 | ||||
| 1002 | L | 25.2 | Very low | 28.2 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 73% | 0.728 | 72% | 0.723 | S | S | * | * | 48.2 | 144.2 | 102.5 | -62.3 | -170 | 0 | 0 | 0 | 116.4 | |||||
| 1003 | R | 27 | Very low | 28.3 | Very low | 201 Ų | 201 | 128.4 Ų | 128.4 | 76% | 0.758 | 72% | 0.724 | S | S | * | * | cis | -159 | 159.8 | 29 | -151.9 | -177.4 | 164.6 | 152.6 | 2.7 | 114.6 | ||||
| 1004 | D | 24.1 | Very low | 28.5 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | trans | 7 | 146.2 | 155.4 | -48.2 | -12.9 | 0 | 0 | 0 | 120.8 | ||||
| 1005 | G | 23.9 | Very low | 28.6 | Very low | 67 Ų | 67 | 129.8 Ų | 129.8 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | trans | 139.6 | 91.4 | 131.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1006 | E | 23.7 | Very low | 28.6 | Very low | 207 Ų | 207 | 131.6 Ų | 131.6 | 97% | 0.967 | 72% | 0.718 | S | S | * | * | trans | 58.9 | 167.7 | 152.2 | -59.1 | -167.8 | 103.6 | 0 | 0 | 120 | ||||
| 1007 | G | 25.5 | Very low | 27.7 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | trans | 97.6 | 122.9 | 173 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1008 | G | 29.4 | Very low | 27.8 | Very low | 73 Ų | 73 | 134.9 Ų | 134.9 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | trans | -68.1 | 161 | 136.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1009 | P | 34.4 | Very low | 27.7 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | -148.7 | 151.6 | 106.1 | 45.9 | -31.6 | 0 | 0 | 0 | 111.9 | |||||
| 1010 | S | 25.2 | Very low | 27.7 | Very low | 80 Ų | 80 | 133.6 Ų | 133.6 | 56% | 0.559 | 74% | 0.738 | S | S | * | * | 71.6 | 178.6 | 101.2 | 82.4 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1011 | Y | 31.6 | Very low | 27.6 | Very low | 203 Ų | 203 | 129.7 Ų | 129.7 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | cis | -115.3 | 133.8 | -21.1 | -90.5 | -86.8 | 0 | 0 | 0 | 105.5 | ||||
| 1012 | V | 24.3 | Very low | 28 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 62% | 0.624 | 75% | 0.749 | S | S | * | * | 63 | 87.5 | 63.9 | 170.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1013 | H | 27 | Very low | 28.1 | Very low | 172 Ų | 172 | 127.1 Ų | 127.1 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 63.8 | 174.6 | 136.3 | -69 | -72.4 | 0 | 0 | 0 | 118.8 | ||||
| 1014 | P | 40 | Very low | 28.4 | Very low | 105 Ų | 105 | 124.7 Ų | 124.7 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | cis | -128.7 | 161.8 | -5.1 | 13.1 | 12.9 | 0 | 0 | 0 | 117.2 | ||||
| 1015 | L | 27.4 | Very low | 29 | Very low | 141 Ų | 141 | 125.1 Ų | 125.1 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | 55.6 | 117.1 | 137.4 | -62.2 | 168.1 | 0 | 0 | 0 | 123.3 | ||||
| 1016 | Q | 24.9 | Very low | 30 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | 72 | 135 | 124.1 | -73.5 | -167.7 | 3.5 | 0 | 0 | 124.1 | |||||
| 1017 | R | 26.6 | Very low | 30.1 | Very low | 209 Ų | 209 | 123.7 Ų | 123.7 | 79% | 0.789 | 76% | 0.76 | S | S | * | * | trans | 74.8 | 93.7 | 141.7 | -73.4 | 175 | 177.1 | -168.5 | 0.9 | 120.4 | ||||
| 1018 | S | 31.4 | Very low | 30.6 | Very low | 119 Ų | 119 | 125 Ų | 125 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | 49.3 | 113.3 | 110.8 | -50.4 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1019 | A | 25.5 | Very low | 30.5 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | 147 | 136.2 | 113.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1020 | S | 27.3 | Very low | 30.3 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | 63.7 | 169.7 | 161 | -44.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 1021 | S | 28.6 | Very low | 31.1 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | cis | -149.4 | -177.1 | -7.3 | -148.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1022 | A | 34.3 | Very low | 31.7 | Very low | 99 Ų | 99 | 135 Ų | 135 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -74 | 179.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1023 | S | 28.9 | Very low | 32.1 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -141 | 129.5 | 167.9 | 60 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1024 | D | 33.1 | Very low | 32 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -72.5 | -169.2 | 168.7 | -59.7 | -80.6 | 0 | 0 | 0 | 111.3 | ||||
| 1025 | V | 34.9 | Very low | 31.5 | Very low | 133 Ų | 133 | 142 Ų | 142 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | cis | -169.5 | -174.9 | 33.8 | -123.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1026 | P | 46.2 | Very low | 32.7 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | cis | -133.9 | 161.8 | -13.4 | 36.2 | -18.6 | 0 | 0 | 0 | 116.1 | ||||
| 1027 | S | 26 | Very low | 32.7 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | 171.6 | 165.3 | 116.9 | -165.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 1028 | S | 36.3 | Very low | 33.3 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | trans | -155.5 | 149.9 | -172 | -169.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1029 | F | 26.3 | Very low | 33.6 | Very low | 209 Ų | 209 | 140.6 Ų | 140.6 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | -165.6 | 158.4 | 129.2 | -109.1 | -73.7 | 0 | 0 | 0 | 112.6 | |||||
| 1030 | R | 29.3 | Very low | 34 | Very low | 229 Ų | 229 | 143.9 Ų | 143.9 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -122.6 | -173.2 | 178 | -102.3 | -173.1 | -177.8 | 176.8 | 4.8 | 108.1 | ||||
| 1031 | P | 42.9 | Very low | 35 | Very low | 113 Ų | 113 | 143 Ų | 143 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | cis | -133.6 | -142.4 | 5.5 | 44.2 | -23.6 | 0 | 0 | 0 | 110.9 | ||||
| 1032 | P | 44.7 | Very low | 35.1 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | cis | -123.4 | -165.1 | -29.3 | 32.3 | -11.1 | 0 | 0 | 0 | 113.7 | ||||
| 1033 | K | 32.3 | Very low | 35 | Very low | 200 Ų | 200 | 141.5 Ų | 141.5 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | -104.6 | 161.2 | 178.8 | -51.6 | 170.5 | 179.8 | 176.2 | 0 | 112.8 | ||||
| 1034 | T | 25.6 | Very low | 35 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | trans | -145 | 160.6 | 146.7 | 29.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1035 | Q | 27.8 | Very low | 35 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -121.8 | -171.6 | 175.8 | -79.3 | -174.2 | -41.7 | 0 | 0 | 108.3 | ||||
| 1036 | P | 54.7 | Low | 35.5 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | -130.5 | 171.6 | -55.6 | 37 | -23.4 | 0 | 0 | 0 | 112.1 | |||||
| 1037 | R | 24.2 | Very low | 35 | Very low | 251 Ų | 251 | 140.5 Ų | 140.5 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | trans | -177.7 | 149.9 | 142.2 | -106.1 | 159.5 | -174.3 | -177.4 | 1.6 | 113.9 | ||||
| 1038 | S | 39.8 | Very low | 35.2 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -98.6 | 157.5 | 156 | 57.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1039 | P | 37 | Very low | 34.8 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | -147.5 | -176.1 | 70.2 | 39.5 | -19.2 | 0 | 0 | 0 | 116.6 | |||||
| 1040 | L | 33.8 | Very low | 34.9 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -69.4 | -175.3 | 161.4 | -94 | 79.1 | 0 | 0 | 0 | 112 | ||||
| 1041 | P | 48.9 | Very low | 34.9 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | cis | -137.7 | -174.8 | -0.5 | 27.5 | -3 | 0 | 0 | 0 | 116 | ||||
| 1042 | S | 30.2 | Very low | 34.2 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 59.5 | 151.7 | 138.7 | 56.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1043 | A | 32.5 | Very low | 33.5 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | cis | -157.7 | 170.1 | -14.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1044 | T | 27.8 | Very low | 33.3 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | -148.8 | 163.9 | 91.7 | 27.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1045 | S | 32.8 | Very low | 33.4 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -103.7 | -166 | -171.4 | -42.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1046 | P | 47.1 | Very low | 33.4 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | cis | -138.5 | -178.2 | -1.2 | 41.3 | -22.3 | 0 | 0 | 0 | 116.8 | ||||
| 1047 | S | 34.5 | Very low | 32.4 | Very low | 113 Ų | 113 | 124 Ų | 124 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -138.4 | 134.9 | 164.9 | 54.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1048 | L | 31.1 | Very low | 33.1 | Very low | 165 Ų | 165 | 118.3 Ų | 118.3 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -161.9 | 158.7 | 177.5 | -75 | -176.2 | 0 | 0 | 0 | 110.6 | ||||
| 1049 | S | 28.2 | Very low | 32.7 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | cis | -172.9 | 84.2 | -31 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1050 | S | 28 | Very low | 32.2 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -153.6 | 122.4 | 168.3 | 35.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1051 | S | 29.3 | Very low | 32.1 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | 72.5 | 127.9 | 65.9 | 85.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1052 | T | 27.5 | Very low | 31.1 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | cis | -159.4 | 153.6 | 30.6 | 44.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1053 | L | 30.2 | Very low | 31 | Very low | 163 Ų | 163 | 127.1 Ų | 127.1 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | 55.1 | 162.2 | 144.7 | -61.9 | 164.2 | 0 | 0 | 0 | 120 | ||||
| 1054 | S | 28.4 | Very low | 30.9 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | -170.8 | 134.4 | -33 | -173 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1055 | S | 28.4 | Very low | 32.4 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | -176.1 | 144.9 | 73.2 | 41 | 0 | 0 | 0 | 0 | 114 | |||||
| 1056 | S | 27.6 | Very low | 33.1 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | trans | -12.6 | 138.3 | 147.9 | 52.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1057 | V | 32.3 | Very low | 32.3 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | cis | 71.1 | 120.1 | 36.8 | -173.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1058 | P | 40.3 | Very low | 32.1 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | -134.3 | 166.5 | 108 | 37.7 | -28 | 0 | 0 | 0 | 114.8 | |||||
| 1059 | S | 31.1 | Very low | 32.3 | Very low | 94 Ų | 94 | 135 Ų | 135 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | trans | -146.2 | 151.6 | -177.2 | 172.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1060 | F | 26 | Very low | 32.9 | Very low | 203 Ų | 203 | 136.2 Ų | 136.2 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | trans | -136.3 | 125.9 | 160.7 | -90.9 | -91.8 | 0 | 0 | 0 | 106 | ||||
| 1061 | R | 31.5 | Very low | 32.9 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | cis | 69.6 | 129 | 29.7 | -114.4 | -162 | -166.3 | -138.6 | 12.8 | 110.9 | ||||
| 1062 | E | 28.4 | Very low | 33.9 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 60% | 0.598 | 76% | 0.764 | S | S | * | * | cis | -149.2 | 142.8 | 25.6 | -83.9 | -174.6 | 158.9 | 0 | 0 | 113.8 | ||||
| 1063 | L | 27.5 | Very low | 33.9 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | 89.4 | 175.1 | 107.4 | -64 | 173.9 | 0 | 0 | 0 | 118.6 | |||||
| 1064 | R | 30.4 | Very low | 33.7 | Very low | 238 Ų | 238 | 139 Ų | 139 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -151 | 179.8 | -154.1 | -114 | -173.9 | -174 | 167 | 2.5 | 110.3 | ||||
| 1065 | P | 59.2 | Low | 33.6 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | cis | -114.2 | -99 | -14.3 | 30.8 | -8.6 | 0 | 0 | 0 | 111.1 | ||||
| 1066 | P | 49.1 | Very low | 34.9 | Very low | 109 Ų | 109 | 143 Ų | 143 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | cis | -125.8 | -174.4 | -14.7 | 43 | -26.5 | 0 | 0 | 0 | 115.5 | ||||
| 1067 | A | 29.1 | Very low | 35 | Very low | 88 Ų | 88 | 148.6 Ų | 148.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 65.5 | 167.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1068 | T | 31.2 | Very low | 34.8 | Very low | 142 Ų | 142 | 146 Ų | 146 | 87% | 0.871 | 78% | 0.782 | S | S | * | * | -152.1 | 161.3 | -82.6 | 16.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1069 | R | 34.5 | Very low | 34.2 | Very low | 211 Ų | 211 | 144 Ų | 144 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -66.4 | 158.7 | -176.1 | -138.5 | -176.3 | -171.2 | 170 | 5.6 | 113.7 | ||||
| 1070 | P | 40.2 | Very low | 34.1 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | -143.8 | -158 | 94.1 | 39.4 | -22.7 | 0 | 0 | 0 | 115.7 | |||||
| 1071 | K | 29.3 | Very low | 34.2 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -106.3 | 167.4 | -163.2 | -83.6 | -178.7 | 176 | -179.1 | 0 | 114.3 | ||||
| 1072 | P | 50 | Low | 34.1 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -91.1 | -176.9 | 179.6 | 38.3 | -38.3 | 0 | 0 | 0 | 115 | ||||
| 1073 | V | 27.4 | Very low | 34.1 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 70% | 0.697 | 81% | 0.806 | S | S | * | * | trans | 117.8 | 118.1 | 160.7 | 176.3 | 0 | 0 | 0 | 0 | 115.4 | F1075 | V1073-F1075 HydrophobicContact CG1-CD2 4.12Š| ||
| 1074 | V | 25.8 | Very low | 34.9 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -144.9 | 151.3 | 148.9 | -178 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1075 | F | 27.1 | Very low | 35.1 | Very low | 177 Ų | 177 | 126.6 Ų | 126.6 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -133.6 | -159.5 | -172.7 | -100 | -71.6 | 0 | 0 | 0 | 108.6 | V1073 | V1073-F1075 HydrophobicContact CG1-CD2 4.12Š| ||
| 1076 | P | 54.3 | Low | 33.7 | Very low | 109 Ų | 109 | 130 Ų | 130 | 71% | 0.708 | 81% | 0.811 | S | S | * | * | -130.8 | 177.7 | -51.6 | 36.9 | -22 | 0 | 0 | 0 | 113.7 | |||||
| 1077 | K | 29.5 | Very low | 32.7 | Very low | 216 Ų | 216 | 127.4 Ų | 127.4 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | trans | 174.5 | 142.9 | 134.4 | -99.5 | 171.2 | -177.6 | -178.1 | 0 | 110.4 | ||||
| 1078 | G | 28.9 | Very low | 32.9 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | cis | 177.4 | 153.2 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1079 | G | 27 | Very low | 33.4 | Very low | 87 Ų | 87 | 128.5 Ų | 128.5 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | 91.1 | 131.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1080 | G | 29.2 | Very low | 33.2 | Very low | 78 Ų | 78 | 125 Ų | 125 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | cis | 115.5 | 130.5 | 8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1081 | T | 28.8 | Very low | 32.7 | Very low | 152 Ų | 152 | 123.8 Ų | 123.8 | 93% | 0.933 | 81% | 0.806 | S | S | * | * | cis | -138.4 | 172.3 | 5.3 | 50.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1082 | G | 28.7 | Very low | 32.7 | Very low | 73 Ų | 73 | 122.5 Ų | 122.5 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | cis | 144 | 132 | 25.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 1083 | S | 29.3 | Very low | 31.9 | Very low | 124 Ų | 124 | 123 Ų | 123 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -81.2 | -178.5 | -169.4 | -28.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1084 | P | 43.2 | Very low | 33.4 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | cis | -143.1 | -163.6 | 44.5 | 42.2 | -20 | 0 | 0 | 0 | 116.1 | ||||
| 1085 | A | 34.4 | Very low | 34.2 | Very low | 95 Ų | 95 | 121.6 Ų | 121.6 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -102 | 163.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1086 | M | 30.3 | Very low | 34.8 | Very low | 186 Ų | 186 | 119.8 Ų | 119.8 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -163.2 | 172.3 | 157.1 | -101 | -61.5 | -87.4 | 0 | 0 | 108.8 | ||||
| 1087 | G | 27.7 | Very low | 34.5 | Very low | 55 Ų | 55 | 120.4 Ų | 120.4 | 57% | 0.567 | 81% | 0.81 | S | S | * | * | trans | -132.3 | 161.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1088 | S | 33.3 | Very low | 35.3 | Very low | 122 Ų | 122 | 115.9 Ų | 115.9 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | 50.8 | 133.1 | 165.3 | -59.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1089 | P | 42.2 | Very low | 36.5 | Very low | 130 Ų | 130 | 117.7 Ų | 117.7 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | -148.9 | -158.4 | 60.7 | 41.5 | -20.3 | 0 | 0 | 0 | 115.8 | |||||
| 1090 | T | 30.3 | Very low | 37.4 | Very low | 137 Ų | 137 | 119.3 Ų | 119.3 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -83.4 | 159.7 | -173.4 | 39.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1091 | S | 30.7 | Very low | 37.5 | Very low | 100 Ų | 100 | 123.4 Ų | 123.4 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | 163.9 | 123.6 | 129.9 | -166.1 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1092 | I | 28.3 | Very low | 37.9 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | 50.7 | 104.9 | 135.5 | -55.3 | 175.9 | 0 | 0 | 0 | 122.6 | ||||
| 1093 | V | 33.8 | Very low | 38 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | 43.9 | 152.8 | 107.2 | 178.2 | 0 | 0 | 0 | 0 | 121 | |||||
| 1094 | P | 57.4 | Low | 38.2 | Very low | 118 Ų | 118 | 125 Ų | 125 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | cis | -111.6 | -109.5 | -8.6 | 34.5 | -13.4 | 0 | 0 | 0 | 111.5 | ||||
| 1095 | P | 43.4 | Very low | 37.8 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | -120.9 | 174.8 | -10 | 43.6 | -29 | 0 | 0 | 0 | 115.8 | ||||
| 1096 | T | 39.3 | Very low | 37.9 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -150.6 | 144 | 176.5 | 53.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1097 | P | 48.2 | Very low | 38.1 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -141.5 | -168.3 | 142.2 | 41.9 | -27.8 | 0 | 0 | 0 | 111.3 | ||||
| 1098 | P | 46.3 | Very low | 38.4 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | cis | -124.9 | -174.1 | -11 | 43 | -27.4 | 0 | 0 | 0 | 114.3 | ||||
| 1099 | P | 54.7 | Low | 38.7 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -125.9 | -179.9 | -174 | 44.7 | -32.2 | 0 | 0 | 0 | 115.8 | ||||
| 1100 | P | 46.8 | Very low | 38.4 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | -145.1 | 169.5 | 98.1 | 40.7 | -26 | 0 | 0 | 0 | 113.8 | |||||
| 1101 | L | 30.8 | Very low | 38.7 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | cis | -146.3 | -121.3 | -8.4 | -126.2 | 174.3 | 0 | 0 | 0 | 112 | ||||
| 1102 | V | 37.5 | Very low | 39.2 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -147.5 | 148 | -169.8 | 174.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1103 | G | 30.5 | Very low | 40 | Very low | 73 Ų | 73 | 128.9 Ų | 128.9 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -174.7 | 79.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1104 | H | 32.5 | Very low | 40.7 | Very low | 177 Ų | 177 | 128.5 Ų | 128.5 | 82% | 0.819 | 79% | 0.787 | S | S | * | * | trans | 17.7 | 112.4 | 160.8 | -67.3 | -78.6 | 0 | 0 | 0 | 124.4 | ||||
| 1105 | A | 35.5 | Very low | 40.2 | Very low | 80 Ų | 80 | 128.8 Ų | 128.8 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | 85 | 139.7 | 110.6 | 0 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1106 | H | 36.5 | Very low | 40.3 | Very low | 188 Ų | 188 | 129.2 Ų | 129.2 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | 79.5 | 115.1 | 152.5 | -70.6 | -62.9 | 0 | 0 | 0 | 124.1 | ||||
| 1107 | S | 33.9 | Very low | 40.8 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | 104.9 | 112.7 | 126.4 | -152.2 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1108 | L | 33.8 | Very low | 40.4 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | trans | 58.7 | 166.6 | 146 | -68.9 | 170.5 | 0 | 0 | 0 | 120.3 | ||||
| 1109 | A | 39.8 | Very low | 40.5 | Very low | 85 Ų | 85 | 128.4 Ų | 128.4 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | -123.5 | 158.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1110 | H | 36.8 | Very low | 39.5 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | -172.3 | 163.7 | 135.8 | -103.8 | -67.4 | 0 | 0 | 0 | 112 | ||||
| 1111 | T | 36.6 | Very low | 39.1 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 153.7 | -178.7 | 39.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1112 | P | 40.7 | Very low | 39.3 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 154.5 | 171.1 | 35.4 | -33.6 | 0 | 0 | 0 | 113.5 | ||
| 1113 | P | 45.8 | Very low | 39.2 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 168.8 | -177.1 | 38.5 | -36.5 | 0 | 0 | 0 | 115.4 | ||
| 1114 | P | 48.6 | Very low | 39.6 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 168.1 | 177.7 | 33.2 | -37.1 | 0 | 0 | 0 | 115.2 | ||
| 1115 | P | 45.8 | Very low | 39.9 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 165.1 | -175.2 | 32.9 | -37.2 | 0 | 0 | 0 | 115.7 | ||
| 1116 | P | 47 | Very low | 39.8 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 163.7 | -169.7 | 37.3 | -37.4 | 0 | 0 | 0 | 116.1 | ||
| 1117 | P | 48.1 | Very low | 40.9 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 166.7 | 176.8 | 35.8 | -37.1 | 0 | 0 | 0 | 114.4 | ||
| 1118 | P | 39.9 | Very low | 41.1 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 79% | 0.792 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 156.1 | 178 | 32.6 | -36.4 | 0 | 0 | 0 | 113.8 | ||
| 1119 | P | 49.1 | Very low | 41.5 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -90 | 153.1 | -174 | 35.4 | -35.9 | 0 | 0 | 0 | 114.8 | ||
| 1120 | Q | 34.6 | Very low | 41.6 | Very low | 198 Ų | 198 | 137.3 Ų | 137.3 | 93% | 0.925 | 84% | 0.835 | S | S | * | * | trans | -112.5 | 150.2 | 158.4 | -69.5 | -176.1 | -8.7 | 0 | 0 | 109.8 | ||||
| 1121 | S | 36.5 | Very low | 41.9 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -156.4 | 120.5 | 170.5 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1122 | N | 36.2 | Very low | 42.2 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 86% | 0.856 | 84% | 0.837 | S | S | * | * | trans | -106.7 | 132.7 | 166.9 | -76.8 | -25.9 | 0 | 0 | 0 | 109.2 | ||||
| 1123 | D | 34.6 | Very low | 42.2 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 66% | 0.658 | 84% | 0.84 | S | S | * | * | -175.4 | 136.1 | 100.6 | -124.3 | 3.2 | 0 | 0 | 0 | 115.1 | |||||
| 1124 | K | 39.8 | Very low | 42 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 69% | 0.691 | 85% | 0.845 | S | S | * | * | trans | 34.6 | 116.8 | 146 | -58.7 | 166.8 | -174.8 | 84.4 | 0 | 121 | ||||
| 1125 | T | 38.2 | Very low | 41.5 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 88% | 0.877 | 85% | 0.85 | S | S | * | * | 177.2 | 156.8 | 101.1 | 28.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1126 | C | 32.7 | Very low | 41.2 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 82% | 0.824 | 85% | 0.854 | S | S | * | * | trans | -107.1 | -170.5 | -179.3 | -43.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1127 | P | 60.6 | Low | 40.7 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 81% | 0.812 | 86% | 0.859 | S | S | * | * | cis | -135.8 | 165.5 | -7.9 | 41.3 | -25.3 | 0 | 0 | 0 | 116 | ||||
| 1128 | A | 38.6 | Very low | 40.1 | Very low | 180 Ų | 180 | 143 Ų | 143 | 100% | 1.488 | 87% | 0.868 | S | S | * | * | trans | -164.2 | 0 | 144.4 | 0 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 1,128 of 1,128 residues in 190.3 ms
(Link to these results)