| 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 | 47.8 | Very low | 79.2 | Confident | 233 Ų | 233 | 98 Ų | 98 | 100% | 1.148 | 49% | 0.493 | S | S | * | . | 0 | 116.9 | 0 | -76.8 | 173.4 | -179.1 | 0 | 0 | 107.5 | |||||
| 2 | T | 58.9 | Low | 80.4 | Confident | 143 Ų | 143 | 92 Ų | 92 | 88% | 0.877 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -69 | 133.1 | 171.6 | 36.6 | 0 | 0 | 0 | 0 | 108.9 | ||
| 3 | M | 73.7 | Confident | 81.4 | Confident | 28 Ų | 28 | 91.5 Ų | 91.5 | 14% | 0.138 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 147.2 | 172.5 | -96 | 173.5 | 72.9 | 0 | 0 | 110 | E5 Y7 V8 I11 T41 H45 | M3-E5 PolarHBondContact O-N 3.42Å; M3-Y7 HydrophobicContact CE-CD1 3.4Å; M3-Y7 HydrophobicContact CE-CE1 3.74Å; M3-Y7 HydrophobicContact CE-CG 4.45Å; M3-V8 HydrophobicContact CB-CG2 3.81Å; M3-V8 HydrophobicContact CE-CB 4.47Å; M3-V8 HydrophobicContact CE-CG2 3.55Å; M3-V8 HydrophobicContact SD-CG2 4.32Å; M3-I11 HydrophobicContact CE-CD1 3.71Å; M3-T41 HydrophobicContact CE-CG2 4.17Å; M3-T41 HydrophobicContact SD-CG2 3.88Å; M3-H45 HydrophobicContact CG-CB 4.09Å; M3-H45 HydrophobicContact SD-CB 3.47Å; M3-H45 WeakPolarHBondContact SD-CB 3.46Å; M3-H45 PolarHBondContact SD-CD2 2.92Å |
| 4 | D | 81.3 | Confident | 82.2 | Confident | 105 Ų | 105 | 89.9 Ų | 89.9 | 56% | 0.561 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 127.7 | 170.4 | 177.8 | 6.4 | 0 | 0 | 0 | 110.2 | K6 Y7 V8 | D4-K6 PolarHBondContact O-N 2.9Å; D4-K6 PolarHBondContact OD1-N 3.49Å; D4-K6 VanDerWaalsContact OD1-N 3.1Å; D4-Y7 WeakPolarHBondContact O-CB 3.28Å; D4-Y7 PolarHBondContact O-N 3.48Å; D4-V8 WeakPolarHBondContact O-CG2 3.34Å; D4-V8 PolarHBondContact O-N 3.45Å |
| 5 | E | 81.3 | Confident | 83 | Confident | 149 Ų | 149 | 84.1 Ų | 84.1 | 70% | 0.696 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -57.1 | -34.5 | 179.5 | -81.5 | -169.1 | 146.6 | 0 | 0 | 113 | M3 Y7 V8 N9 | M3-E5 PolarHBondContact O-N 3.42Å; E5-Y7 VanDerWaalsContact C-N 3.3Å; E5-Y7 PolarHBondContact O-N 3.39Å; E5-V8 PolarHBondContact O-N 3.31Å; E5-N9 VanDerWaalsContact O-CG 3.29Å; E5-N9 PolarHBondContact O-N 3.45Å; E5-N9 PolarHBondContact O-ND2 2.62Å |
| 6 | K | 82.8 | Confident | 83.8 | Confident | 166 Ų | 166 | 82.9 Ų | 82.9 | 72% | 0.722 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.3 | -38.8 | 177.1 | -72.3 | -175.4 | 179 | 179.2 | 0 | 111.6 | D4 N9 S10 | D4-K6 PolarHBondContact O-N 2.9Å; D4-K6 PolarHBondContact OD1-N 3.49Å; D4-K6 VanDerWaalsContact OD1-N 3.1Å; K6-N9 PolarHBondContact O-N 3.42Å; K6-S10 PolarHBondContact O-N 3.3Å |
| 7 | Y | 86.4 | Confident | 84.3 | Confident | 123 Ų | 123 | 83.4 Ų | 83.4 | 48% | 0.482 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 177.3 | -174.3 | -120.8 | 0 | 0 | 0 | 111.2 | M3 D4 E5 N9 S10 I11 | M3-Y7 HydrophobicContact CE-CD1 3.4Å; M3-Y7 HydrophobicContact CE-CE1 3.74Å; M3-Y7 HydrophobicContact CE-CG 4.45Å; D4-Y7 WeakPolarHBondContact O-CB 3.28Å; D4-Y7 PolarHBondContact O-N 3.48Å; E5-Y7 VanDerWaalsContact C-N 3.3Å; E5-Y7 PolarHBondContact O-N 3.39Å; Y7-N9 VanDerWaalsContact C-N 3.32Å; Y7-N9 PolarHBondContact O-N 3.1Å; Y7-S10 PolarHBondContact O-N 3.26Å; Y7-S10 PolarHBondContact O-OG 3.09Å; Y7-I11 HydrophobicContact CD1-CD1 3.98Å; Y7-I11 HydrophobicContact CE1-CD1 3.58Å; Y7-I11 HydrophobicContact CE2-CD1 4.3Å; Y7-I11 HydrophobicContact CE2-CG1 4.46Å; Y7-I11 HydrophobicContact CG-CD1 4.47Å; Y7-I11 WeakPolarHBondContact O-CG1 3.42Å; Y7-I11 PolarHBondContact O-N 3.22Å |
| 8 | V | 87.2 | Confident | 84.9 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.006 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 173.5 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | M3 D4 E5 I11 W12 M42 H47 K50 | M3-V8 HydrophobicContact CB-CG2 3.81Å; M3-V8 HydrophobicContact CE-CB 4.47Å; M3-V8 HydrophobicContact CE-CG2 3.55Å; M3-V8 HydrophobicContact SD-CG2 4.32Å; D4-V8 WeakPolarHBondContact O-CG2 3.34Å; D4-V8 PolarHBondContact O-N 3.45Å; E5-V8 PolarHBondContact O-N 3.31Å; V8-I11 PolarHBondContact O-N 2.95Å; V8-W12 PolarHBondContact O-N 2.94Å; V8-M42 HydrophobicContact CG1-CE 4.03Å; V8-H47 HydrophobicContact CG1-CB 4.28Å; V8-K50 HydrophobicContact CG1-CD 4.47Å |
| 9 | N | 89.1 | Confident | 85.4 | Confident | 65 Ų | 65 | 75.1 Ų | 75.1 | 35% | 0.348 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 176 | -72.7 | -25.7 | 0 | 0 | 0 | 111.9 | E5 K6 Y7 I11 W12 D13 K50 | E5-N9 VanDerWaalsContact O-CG 3.29Å; E5-N9 PolarHBondContact O-N 3.45Å; E5-N9 PolarHBondContact O-ND2 2.62Å; K6-N9 PolarHBondContact O-N 3.42Å; Y7-N9 VanDerWaalsContact C-N 3.32Å; Y7-N9 PolarHBondContact O-N 3.1Å; N9-I11 VanDerWaalsContact C-N 3.31Å; N9-I11 PolarHBondContact O-N 2.93Å; N9-W12 PolarHBondContact O-N 3.01Å; N9-D13 PolarHBondContact O-N 2.76Å; N9-K50 PolarHBondContact OD1-NZ 3.3Å |
| 10 | S | 91 | Very high | 85.8 | Confident | 59 Ų | 59 | 73.4 Ų | 73.4 | 41% | 0.413 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 177.7 | 69.5 | 0 | 0 | 0 | 0 | 113.3 | K6 Y7 L14 | K6-S10 PolarHBondContact O-N 3.3Å; Y7-S10 PolarHBondContact O-N 3.26Å; Y7-S10 PolarHBondContact O-OG 3.09Å; S10-L14 WeakPolarHBondContact O-CB 3.26Å; S10-L14 PolarHBondContact O-N 2.81Å; S10-L14 VanDerWaalsContact O-N 3.14Å |
| 11 | I | 91.6 | Very high | 86.2 | Confident | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.6 | -43.7 | 175.9 | -66.6 | 169.7 | 0 | 0 | 0 | 110.4 | M3 Y7 V8 N9 L14 L15 N38 M42 | M3-I11 HydrophobicContact CE-CD1 3.71Å; Y7-I11 HydrophobicContact CD1-CD1 3.98Å; Y7-I11 HydrophobicContact CE1-CD1 3.58Å; Y7-I11 HydrophobicContact CE2-CD1 4.3Å; Y7-I11 HydrophobicContact CE2-CG1 4.46Å; Y7-I11 HydrophobicContact CG-CD1 4.47Å; Y7-I11 WeakPolarHBondContact O-CG1 3.42Å; Y7-I11 PolarHBondContact O-N 3.22Å; V8-I11 PolarHBondContact O-N 2.95Å; N9-I11 VanDerWaalsContact C-N 3.31Å; N9-I11 PolarHBondContact O-N 2.93Å; I11-L14 PolarHBondContact O-N 3.44Å; I11-L15 HydrophobicContact CG2-CD1 4.05Å; I11-L15 HydrophobicContact CG2-CG 4.45Å; I11-L15 WeakPolarHBondContact O-CG 3.41Å; I11-L15 PolarHBondContact O-N 3.22Å; I11-N38 HydrophobicContact CG2-CB 3.75Å; I11-M42 HydrophobicContact CB-CG 4.37Å; I11-M42 HydrophobicContact CB-SD 4.32Å; I11-M42 HydrophobicContact CG2-CG 3.73Å; I11-M42 HydrophobicContact CG2-SD 3.7Å |
| 12 | W | 94.2 | Very high | 88.4 | Confident | 26 Ų | 26 | 61 Ų | 61 | 10% | 0.098 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 176.7 | 172 | -116.1 | 0 | 0 | 0 | 112.2 | V8 N9 L14 L15 K16 M42 L51 G54 L55 V58 | V8-W12 PolarHBondContact O-N 2.94Å; N9-W12 PolarHBondContact O-N 3.01Å; W12-L14 VanDerWaalsContact C-N 3.27Å; W12-L14 PolarHBondContact O-N 3.24Å; W12-L15 HydrophobicContact CE3-CB 4.31Å; W12-L15 HydrophobicContact CZ3-CB 4.48Å; W12-L15 PolarHBondContact O-N 3.32Å; W12-K16 HydrophobicContact CH2-CB 4.33Å; W12-K16 HydrophobicContact CZ2-CB 4.05Å; W12-K16 HydrophobicContact CZ2-CD 4.35Å; W12-K16 VanDerWaalsContact O-CB 3.29Å; W12-K16 WeakPolarHBondContact O-CB 3.42Å; W12-K16 PolarHBondContact O-N 2.74Å; W12-M42 HydrophobicContact CB-CE 4.12Å; W12-M42 HydrophobicContact CB-SD 4.41Å; W12-L51 HydrophobicContact CE3-CD1 3.75Å; W12-L51 HydrophobicContact CZ3-CD1 3.68Å; W12-G54 VanDerWaalsContact CH2-CA 3.47Å; W12-G54 WeakPolarHBondContact CH2-O 3.43Å; W12-L55 VanDerWaalsContact CH2-N 3.34Å; W12-V58 HydrophobicContact CH2-CG2 4.1Å; W12-V58 HydrophobicContact CZ2-CG2 3.91Å |
| 13 | D | 92.6 | Very high | 90 | Very high | 85 Ų | 85 | 55.1 Ų | 55.1 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 178.3 | -70.3 | -29.9 | 0 | 0 | 0 | 111.5 | N9 N17 | N9-D13 PolarHBondContact O-N 2.76Å; D13-N17 WeakPolarHBondContact O-CB 3.33Å; D13-N17 PolarHBondContact O-N 3.05Å; D13-N17 PolarHBondContact O-ND2 3.49Å; D13-N17 VanDerWaalsContact O-ND2 3.15Å |
| 14 | L | 93.5 | Very high | 90.9 | Very high | 70 Ų | 70 | 61.2 Ų | 61.2 | 37% | 0.366 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 174.6 | -174.5 | 148.1 | 0 | 0 | 0 | 111.9 | S10 I11 W12 N17 A18 L35 | S10-L14 WeakPolarHBondContact O-CB 3.26Å; S10-L14 PolarHBondContact O-N 2.81Å; S10-L14 VanDerWaalsContact O-N 3.14Å; I11-L14 PolarHBondContact O-N 3.44Å; W12-L14 VanDerWaalsContact C-N 3.27Å; W12-L14 PolarHBondContact O-N 3.24Å; L14-N17 PolarHBondContact O-N 3.36Å; L14-A18 PolarHBondContact O-N 2.83Å; L14-L35 HydrophobicContact CD2-CD2 3.42Å; L14-L35 VanDerWaalsContact CD2-CD2 3.42Å |
| 15 | L | 94.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.4 | -42 | 176 | -70.1 | 172.4 | 0 | 0 | 0 | 112 | I11 W12 A18 I19 L35 N38 A39 M42 L51 I100 | I11-L15 HydrophobicContact CG2-CD1 4.05Å; I11-L15 HydrophobicContact CG2-CG 4.45Å; I11-L15 WeakPolarHBondContact O-CG 3.41Å; I11-L15 PolarHBondContact O-N 3.22Å; W12-L15 HydrophobicContact CE3-CB 4.31Å; W12-L15 HydrophobicContact CZ3-CB 4.48Å; W12-L15 PolarHBondContact O-N 3.32Å; L15-A18 PolarHBondContact O-N 3.45Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.37Å; L15-I19 PolarHBondContact O-N 3.47Å; L15-L35 HydrophobicContact CD2-CB 4.25Å; L15-L35 HydrophobicContact CD2-CD2 4.01Å; L15-L35 WeakPolarHBondContact CD2-O 3.2Å; L15-N38 HydrophobicContact CD2-CB 4.39Å; L15-A39 HydrophobicContact CD1-CB 4.15Å; L15-A39 HydrophobicContact CD2-CB 4.35Å; L15-M42 HydrophobicContact CD1-SD 3.72Å; L15-L51 HydrophobicContact CD1-CD1 3.77Å; L15-I100 HydrophobicContact CD2-CG2 4.25Å |
| 16 | K | 94.9 | Very high | 91.8 | Very high | 65 Ų | 65 | 59 Ų | 59 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.4 | -48.9 | 175.8 | 171.6 | 168.8 | 179.6 | 175.6 | 0 | 111 | W12 A18 I19 Q20 V58 | W12-K16 HydrophobicContact CH2-CB 4.33Å; W12-K16 HydrophobicContact CZ2-CB 4.05Å; W12-K16 HydrophobicContact CZ2-CD 4.35Å; W12-K16 VanDerWaalsContact O-CB 3.29Å; W12-K16 WeakPolarHBondContact O-CB 3.42Å; W12-K16 PolarHBondContact O-N 2.74Å; K16-A18 VanDerWaalsContact C-N 3.34Å; K16-A18 PolarHBondContact O-N 2.91Å; K16-I19 PolarHBondContact O-N 3.28Å; K16-Q20 WeakPolarHBondContact O-CG 3.37Å; K16-Q20 PolarHBondContact O-N 3.38Å; K16-V58 HydrophobicContact CB-CG2 4.4Å; K16-V58 HydrophobicContact CD-CG2 3.87Å; K16-V58 HydrophobicContact CG-CG2 3.69Å |
| 17 | N | 93.4 | Very high | 92 | Very high | 91 Ų | 91 | 54 Ų | 54 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 177.1 | -71.8 | -26.8 | 0 | 0 | 0 | 111.3 | D13 L14 I19 Q20 E21 | D13-N17 WeakPolarHBondContact O-CB 3.33Å; D13-N17 PolarHBondContact O-N 3.05Å; D13-N17 PolarHBondContact O-ND2 3.49Å; D13-N17 VanDerWaalsContact O-ND2 3.15Å; L14-N17 PolarHBondContact O-N 3.36Å; N17-I19 PolarHBondContact O-N 3.07Å; N17-Q20 PolarHBondContact O-N 3.42Å; N17-E21 WeakPolarHBondContact O-CG 3.28Å; N17-E21 PolarHBondContact O-N 3.45Å |
| 18 | A | 93.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L14 L15 K16 Q20 E21 I22 L30 L35 | L14-A18 PolarHBondContact O-N 2.83Å; L15-A18 PolarHBondContact O-N 3.45Å; K16-A18 VanDerWaalsContact C-N 3.34Å; K16-A18 PolarHBondContact O-N 2.91Å; A18-Q20 VanDerWaalsContact C-N 3.34Å; A18-Q20 PolarHBondContact O-N 2.82Å; A18-E21 PolarHBondContact O-N 3.46Å; A18-I22 VanDerWaalsContact O-CG1 3.3Å; A18-I22 WeakPolarHBondContact O-CG1 3.36Å; A18-I22 PolarHBondContact O-N 3.42Å; A18-L30 HydrophobicContact CB-CD1 4.31Å; A18-L30 HydrophobicContact CB-CD2 3.99Å; A18-L35 HydrophobicContact CB-CD1 3.67Å; A18-L35 HydrophobicContact CB-CD2 3.52Å; A18-L35 HydrophobicContact CB-CG 4.26Å |
| 19 | I | 94.7 | Very high | 91.7 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 175.2 | -69 | 162.7 | 0 | 0 | 0 | 110.6 | L15 K16 N17 I22 Q23 L55 V58 I97 | L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.37Å; L15-I19 PolarHBondContact O-N 3.47Å; K16-I19 PolarHBondContact O-N 3.28Å; N17-I19 PolarHBondContact O-N 3.07Å; I19-I22 PolarHBondContact O-N 2.91Å; I19-Q23 WeakPolarHBondContact O-CG 3.32Å; I19-Q23 PolarHBondContact O-N 2.91Å; I19-L55 HydrophobicContact CD1-CD1 3.9Å; I19-V58 HydrophobicContact CB-CG1 4.29Å; I19-V58 HydrophobicContact CG2-CG1 3.68Å; I19-I97 HydrophobicContact CG1-CG1 4.39Å; I19-I97 HydrophobicContact CG1-CG2 4.39Å; I19-I97 HydrophobicContact CG2-CD1 3.87Å; I19-I97 HydrophobicContact CG2-CG1 4.34Å |
| 20 | Q | 94.1 | Very high | 91.8 | Very high | 41 Ų | 41 | 55.9 Ų | 55.9 | 19% | 0.192 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 177.1 | -71.6 | 179.2 | -20.3 | 0 | 0 | 112.4 | K16 N17 A18 Q23 R24 V58 | K16-Q20 WeakPolarHBondContact O-CG 3.37Å; K16-Q20 PolarHBondContact O-N 3.38Å; N17-Q20 PolarHBondContact O-N 3.42Å; A18-Q20 VanDerWaalsContact C-N 3.34Å; A18-Q20 PolarHBondContact O-N 2.82Å; Q20-Q23 PolarHBondContact O-N 3.21Å; Q20-R24 WeakPolarHBondContact O-CB 3.42Å; Q20-R24 VanDerWaalsContact O-CG 3.26Å; Q20-R24 WeakPolarHBondContact O-CG 3.16Å; Q20-R24 PolarHBondContact O-N 2.85Å; Q20-V58 HydrophobicContact CG-CG1 3.86Å |
| 21 | E | 93.9 | Very high | 91.9 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 176.3 | -70.1 | -55.5 | 116.5 | 0 | 0 | 111.9 | N17 A18 R24 K25 N26 L30 | N17-E21 WeakPolarHBondContact O-CG 3.28Å; N17-E21 PolarHBondContact O-N 3.45Å; A18-E21 PolarHBondContact O-N 3.46Å; E21-R24 CarbonylContact O-C 3.25Å; E21-R24 PolarHBondContact O-N 3.02Å; E21-R24 IonicContact OE1-CZ 3.86Å; E21-R24 IonicContact OE1-NH1 3.89Å; E21-R24 PolarHBondContact OE1-NH1 2.88Å; E21-K25 PolarHBondContact O-N 3.48Å; E21-K25 VanDerWaalsContact O-N 3.17Å; E21-N26 PolarHBondContact O-N 2.85Å; E21-N26 VanDerWaalsContact OE2-CB 3.31Å; E21-N26 WeakPolarHBondContact OE2-CB 3.42Å; E21-N26 PolarHBondContact OE2-ND2 3.02Å; E21-L30 HydrophobicContact CB-CD1 4.33Å |
| 22 | I | 94.2 | Very high | 91.9 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 171.6 | -71.3 | 166.5 | 0 | 0 | 0 | 111 | A18 I19 R24 K25 N27 L30 F32 A93 M96 I97 I100 | A18-I22 VanDerWaalsContact O-CG1 3.3Å; A18-I22 WeakPolarHBondContact O-CG1 3.36Å; A18-I22 PolarHBondContact O-N 3.42Å; I19-I22 PolarHBondContact O-N 2.91Å; I22-R24 VanDerWaalsContact C-N 3.26Å; I22-R24 PolarHBondContact O-N 2.89Å; I22-K25 PolarHBondContact O-N 3.36Å; I22-N27 HydrophobicContact CG1-CB 4.5Å; I22-L30 HydrophobicContact CD1-CD1 4.16Å; I22-L30 HydrophobicContact CG1-CD1 3.65Å; I22-F32 HydrophobicContact CD1-CZ 4.46Å; I22-A93 HydrophobicContact CG2-CB 3.97Å; I22-M96 HydrophobicContact CD1-CB 4.33Å; I22-M96 HydrophobicContact CG2-CB 4.04Å; I22-M96 HydrophobicContact CG2-CE 3.67Å; I22-M96 HydrophobicContact CG2-SD 4.31Å; I22-I97 HydrophobicContact CD1-CG1 4.3Å; I22-I97 HydrophobicContact CG2-CD1 4.4Å; I22-I97 HydrophobicContact CG2-CG1 4.13Å; I22-I100 HydrophobicContact CD1-CD1 3.41Å; I22-I100 VanDerWaalsContact CD1-CD1 3.41Å |
| 23 | Q | 92.6 | Very high | 91.8 | Very high | 18 Ų | 18 | 65.6 Ų | 65.6 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.3 | -30.4 | 177.4 | -72.5 | 174.3 | -34.4 | 0 | 0 | 112.9 | I19 Q20 K25 | I19-Q23 WeakPolarHBondContact O-CG 3.32Å; I19-Q23 PolarHBondContact O-N 2.91Å; Q20-Q23 PolarHBondContact O-N 3.21Å; Q23-K25 PolarHBondContact O-N 3.03Å |
| 24 | R | 91.8 | Very high | 91.8 | Very high | 157 Ų | 157 | 65.7 Ų | 65.7 | 59% | 0.592 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 1.8 | 172.6 | -70 | 170.5 | -178.3 | 164.4 | 0.9 | 113.8 | Q20 E21 I22 N26 | Q20-R24 WeakPolarHBondContact O-CB 3.42Å; Q20-R24 VanDerWaalsContact O-CG 3.26Å; Q20-R24 WeakPolarHBondContact O-CG 3.16Å; Q20-R24 PolarHBondContact O-N 2.85Å; E21-R24 CarbonylContact O-C 3.25Å; E21-R24 PolarHBondContact O-N 3.02Å; E21-R24 IonicContact OE1-CZ 3.86Å; E21-R24 IonicContact OE1-NH1 3.89Å; E21-R24 PolarHBondContact OE1-NH1 2.88Å; I22-R24 VanDerWaalsContact C-N 3.26Å; I22-R24 PolarHBondContact O-N 2.89Å; R24-N26 PolarHBondContact O-N 2.73Å |
| 25 | K | 91.6 | Very high | 91.8 | Very high | 121 Ų | 121 | 62.7 Ų | 62.7 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 27.4 | -174.8 | -50.3 | 178.9 | -176.5 | -178.5 | 0 | 113.8 | E21 I22 Q23 D89 | E21-K25 PolarHBondContact O-N 3.48Å; E21-K25 VanDerWaalsContact O-N 3.17Å; I22-K25 PolarHBondContact O-N 3.36Å; Q23-K25 PolarHBondContact O-N 3.03Å; K25-D89 WeakPolarHBondContact CE-OD1 3.46Å; K25-D89 WeakPolarHBondContact CE-OD2 3.27Å; K25-D89 IonicContact NZ-OD1 3.87Å; K25-D89 PolarHBondContact NZ-OD1 2.99Å; K25-D89 IonicContact NZ-OD2 3.67Å; K25-D89 PolarHBondContact NZ-OD2 3.29Å |
| 26 | N | 90.8 | Very high | 91.9 | Very high | 85 Ų | 85 | 65.8 Ų | 65.8 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | trans | -109.4 | 65.6 | 178.8 | -170.6 | 21.7 | 0 | 0 | 0 | 111.1 | E21 R24 | E21-N26 PolarHBondContact O-N 2.85Å; E21-N26 VanDerWaalsContact OE2-CB 3.31Å; E21-N26 WeakPolarHBondContact OE2-CB 3.42Å; E21-N26 PolarHBondContact OE2-ND2 3.02Å; R24-N26 PolarHBondContact O-N 2.73Å | ||
| 27 | N | 86.9 | Confident | 91.8 | Very high | 61 Ų | 61 | 69.8 Ų | 69.8 | 33% | 0.326 | 36% | 0.356 | S | S | . | . | trans | -99.4 | -5.2 | -171.1 | 51.5 | 3.2 | 0 | 0 | 0 | 114.8 | I22 G29 L30 M96 | I22-N27 HydrophobicContact CG1-CB 4.5Å; N27-G29 VanDerWaalsContact C-N 3.27Å; N27-G29 PolarHBondContact O-N 3.42Å; N27-L30 HydrophobicContact CB-CD1 4.36Å; N27-L30 PolarHBondContact O-N 2.98Å; N27-M96 HydrophobicContact CB-SD 4.43Å; N27-M96 PolarHBondContact ND2-SD 2.85Å | ||
| 28 | S | 83.8 | Confident | 91.7 | Very high | 113 Ų | 113 | 66.2 Ų | 66.2 | 79% | 0.79 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.2 | -174.4 | 54.4 | 0 | 0 | 0 | 0 | 115 | ||
| 29 | G | 83.6 | Confident | 91.6 | Very high | 73 Ų | 73 | 66.1 Ų | 66.1 | 75% | 0.753 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 1.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N27 | N27-G29 VanDerWaalsContact C-N 3.27Å; N27-G29 PolarHBondContact O-N 3.42Å |
| 30 | L | 90.9 | Very high | 91.6 | Very high | 43 Ų | 43 | 69.8 Ų | 69.8 | 23% | 0.225 | 35% | 0.35 | C | S | . | . | trans | -94.6 | 130.8 | -172.4 | -61.3 | 178 | 0 | 0 | 0 | 111.8 | A18 E21 I22 N27 F32 L35 | A18-L30 HydrophobicContact CB-CD1 4.31Å; A18-L30 HydrophobicContact CB-CD2 3.99Å; E21-L30 HydrophobicContact CB-CD1 4.33Å; I22-L30 HydrophobicContact CD1-CD1 4.16Å; I22-L30 HydrophobicContact CG1-CD1 3.65Å; N27-L30 HydrophobicContact CB-CD1 4.36Å; N27-L30 PolarHBondContact O-N 2.98Å; L30-F32 HydrophobicContact CB-CE2 4.42Å; L30-F32 PolarHBondContact O-N 2.81Å; L30-L35 HydrophobicContact CB-CD1 4.05Å; L30-L35 HydrophobicContact CD2-CD1 4.48Å | ||
| 31 | S | 92.8 | Very high | 91.5 | Very high | 58 Ų | 58 | 69.3 Ų | 69.3 | 41% | 0.406 | 35% | 0.35 | S | S | . | . | trans | -88.3 | 98.2 | 169.9 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | E33 E34 L35 | S31-E33 VanDerWaalsContact C-N 3.26Å; S31-E33 PolarHBondContact O-N 2.72Å; S31-E34 PolarHBondContact O-N 2.78Å; S31-E34 WeakPolarHBondContact OG-CB 3.47Å; S31-E34 PolarHBondContact OG-N 3.32Å; S31-L35 VanDerWaalsContact O-CG 3.26Å; S31-L35 WeakPolarHBondContact O-CG 3.25Å; S31-L35 PolarHBondContact O-N 3.23Å | ||
| 32 | F | 91.6 | Very high | 91.3 | Very high | 78 Ų | 78 | 67.1 Ų | 67.1 | 34% | 0.342 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.2 | -33.9 | -179 | -81.4 | -100.3 | 0 | 0 | 0 | 113.2 | I22 L30 Y36 M96 I100 | I22-F32 HydrophobicContact CD1-CZ 4.46Å; L30-F32 HydrophobicContact CB-CE2 4.42Å; L30-F32 PolarHBondContact O-N 2.81Å; F32-Y36 VanDerWaalsContact O-CB 3.26Å; F32-Y36 WeakPolarHBondContact O-CB 3.23Å; F32-Y36 PolarHBondContact O-N 3.45Å; F32-M96 HydrophobicContact CE1-CB 4.01Å; F32-M96 HydrophobicContact CE1-CG 4.32Å; F32-M96 HydrophobicContact CZ-CB 4.27Å; F32-M96 HydrophobicContact CZ-CG 4.27Å; F32-M96 HydrophobicContact CZ-SD 4.01Å; F32-I100 HydrophobicContact CD1-CD1 3.87Å; F32-I100 HydrophobicContact CD1-CG1 3.56Å; F32-I100 HydrophobicContact CE1-CD1 3.74Å; F32-I100 HydrophobicContact CE1-CG1 3.87Å |
| 33 | E | 92.5 | Very high | 91.2 | Very high | 160 Ų | 160 | 67.6 Ų | 67.6 | 75% | 0.748 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.1 | -43.7 | 176.2 | -172.6 | -171.3 | 170.1 | 0 | 0 | 111.6 | S31 Y36 R37 | S31-E33 VanDerWaalsContact C-N 3.26Å; S31-E33 PolarHBondContact O-N 2.72Å; E33-Y36 PolarHBondContact O-N 3.07Å; E33-R37 WeakPolarHBondContact O-CB 3.44Å; E33-R37 PolarHBondContact O-N 3.25Å |
| 34 | E | 92.6 | Very high | 91.2 | Very high | 87 Ų | 87 | 70.9 Ų | 70.9 | 41% | 0.407 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 178.2 | -174.9 | 178.4 | 178.3 | 0 | 0 | 111.3 | S31 Y36 R37 N38 | S31-E34 PolarHBondContact O-N 2.78Å; S31-E34 WeakPolarHBondContact OG-CB 3.47Å; S31-E34 PolarHBondContact OG-N 3.32Å; E34-Y36 VanDerWaalsContact C-N 3.34Å; E34-Y36 PolarHBondContact O-N 3.06Å; E34-R37 PolarHBondContact O-N 3.23Å; E34-N38 WeakPolarHBondContact O-CB 3.33Å; E34-N38 VanDerWaalsContact O-CG 3.28Å; E34-N38 PolarHBondContact O-N 3.1Å; E34-N38 PolarHBondContact O-ND2 2.9Å |
| 35 | L | 94.1 | Very high | 91.1 | Very high | 7 Ų | 7 | 67.2 Ų | 67.2 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 176 | -65.9 | 170.8 | 0 | 0 | 0 | 111.3 | L14 L15 A18 L30 S31 N38 A39 I100 | L14-L35 HydrophobicContact CD2-CD2 3.42Å; L14-L35 VanDerWaalsContact CD2-CD2 3.42Å; L15-L35 HydrophobicContact CD2-CB 4.25Å; L15-L35 HydrophobicContact CD2-CD2 4.01Å; L15-L35 WeakPolarHBondContact CD2-O 3.2Å; A18-L35 HydrophobicContact CB-CD1 3.67Å; A18-L35 HydrophobicContact CB-CD2 3.52Å; A18-L35 HydrophobicContact CB-CG 4.26Å; L30-L35 HydrophobicContact CB-CD1 4.05Å; L30-L35 HydrophobicContact CD2-CD1 4.48Å; S31-L35 VanDerWaalsContact O-CG 3.26Å; S31-L35 WeakPolarHBondContact O-CG 3.25Å; S31-L35 PolarHBondContact O-N 3.23Å; L35-N38 PolarHBondContact O-N 2.83Å; L35-A39 WeakPolarHBondContact O-CB 3.3Å; L35-A39 PolarHBondContact O-N 3.39Å; L35-I100 HydrophobicContact CB-CD1 4.4Å; L35-I100 HydrophobicContact CB-CG1 4.27Å; L35-I100 HydrophobicContact CB-CG2 3.76Å; L35-I100 HydrophobicContact CD1-CD1 3.9Å |
| 36 | Y | 94.8 | Very high | 91 | Very high | 68 Ų | 68 | 70.8 Ų | 70.8 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 174.4 | 171.1 | -103.3 | 0 | 0 | 0 | 112 | F32 E33 E34 N38 A39 Y40 I100 M102 | F32-Y36 VanDerWaalsContact O-CB 3.26Å; F32-Y36 WeakPolarHBondContact O-CB 3.23Å; F32-Y36 PolarHBondContact O-N 3.45Å; E33-Y36 PolarHBondContact O-N 3.07Å; E34-Y36 VanDerWaalsContact C-N 3.34Å; E34-Y36 PolarHBondContact O-N 3.06Å; Y36-N38 VanDerWaalsContact C-N 3.3Å; Y36-N38 PolarHBondContact O-N 2.9Å; Y36-A39 PolarHBondContact O-N 3.47Å; Y36-Y40 VanDerWaalsContact O-CB 3.3Å; Y36-Y40 WeakPolarHBondContact O-CB 3.24Å; Y36-Y40 PolarHBondContact O-N 2.94Å; Y36-I100 WeakPolarHBondContact CD2-O 3.39Å; Y36-M102 HydrophobicContact CD2-CG 3.68Å; Y36-M102 HydrophobicContact CD2-SD 4.09Å; Y36-M102 HydrophobicContact CE2-CG 3.18Å; Y36-M102 HydrophobicContact CE2-SD 3.67Å |
| 37 | R | 92.8 | Very high | 91 | Very high | 148 Ų | 148 | 69.1 Ų | 69.1 | 56% | 0.558 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.1 | -41.9 | 178.2 | -173.9 | 176.9 | 67.9 | -172.4 | -1.3 | 111.5 | E33 E34 Y40 T41 | E33-R37 WeakPolarHBondContact O-CB 3.44Å; E33-R37 PolarHBondContact O-N 3.25Å; E34-R37 PolarHBondContact O-N 3.23Å; R37-Y40 WeakPolarHBondContact O-CB 3.46Å; R37-Y40 PolarHBondContact O-N 3.02Å; R37-T41 PolarHBondContact O-N 3.43Å; R37-T41 PolarHBondContact O-OG1 2.7Å; R37-T41 VanDerWaalsContact O-OG1 3.04Å |
| 38 | N | 92.6 | Very high | 91.2 | Very high | 16 Ų | 16 | 66.4 Ų | 66.4 | 9% | 0.086 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 177.3 | -79.6 | -19.1 | 0 | 0 | 0 | 112.2 | I11 L15 E34 L35 Y36 T41 M42 | I11-N38 HydrophobicContact CG2-CB 3.75Å; L15-N38 HydrophobicContact CD2-CB 4.39Å; E34-N38 WeakPolarHBondContact O-CB 3.33Å; E34-N38 VanDerWaalsContact O-CG 3.28Å; E34-N38 PolarHBondContact O-N 3.1Å; E34-N38 PolarHBondContact O-ND2 2.9Å; L35-N38 PolarHBondContact O-N 2.83Å; Y36-N38 VanDerWaalsContact C-N 3.3Å; Y36-N38 PolarHBondContact O-N 2.9Å; N38-T41 PolarHBondContact O-N 3.37Å; N38-M42 PolarHBondContact O-N 3.21Å; N38-M42 VanDerWaalsContact O-N 3.12Å |
| 39 | A | 92 | Very high | 91.6 | Very high | 3 Ų | 3 | 67.3 Ų | 67.3 | 3% | 0.025 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L15 L35 Y36 T41 M42 V43 L51 L101 | L15-A39 HydrophobicContact CD1-CB 4.15Å; L15-A39 HydrophobicContact CD2-CB 4.35Å; L35-A39 WeakPolarHBondContact O-CB 3.3Å; L35-A39 PolarHBondContact O-N 3.39Å; Y36-A39 PolarHBondContact O-N 3.47Å; A39-T41 PolarHBondContact O-N 3.04Å; A39-M42 PolarHBondContact O-N 3.46Å; A39-V43 WeakPolarHBondContact O-CG2 3.3Å; A39-V43 PolarHBondContact O-N 3.31Å; A39-V43 VanDerWaalsContact O-N 3.12Å; A39-L51 HydrophobicContact CB-CD2 4.27Å; A39-L101 HydrophobicContact CB-CD2 3.63Å |
| 40 | Y | 93 | Very high | 92 | Very high | 80 Ų | 80 | 67.8 Ų | 67.8 | 31% | 0.314 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.1 | -48.3 | 173.9 | 172.4 | -88.5 | 0 | 0 | 0 | 111.4 | Y36 R37 M42 V43 L44 Y103 | Y36-Y40 VanDerWaalsContact O-CB 3.3Å; Y36-Y40 WeakPolarHBondContact O-CB 3.24Å; Y36-Y40 PolarHBondContact O-N 2.94Å; R37-Y40 WeakPolarHBondContact O-CB 3.46Å; R37-Y40 PolarHBondContact O-N 3.02Å; Y40-M42 PolarHBondContact O-N 3.04Å; Y40-V43 PolarHBondContact O-N 2.95Å; Y40-L44 HydrophobicContact CE1-CB 4.42Å; Y40-L44 HydrophobicContact CE1-CD2 3.83Å; Y40-L44 VanDerWaalsContact O-CB 3.3Å; Y40-L44 WeakPolarHBondContact O-CB 3.33Å; Y40-L44 PolarHBondContact O-N 3.04Å; Y40-Y103 AromaticContact CD2-CD1 3.47Å; Y40-Y103 HydrophobicContact CD2-CD1 3.47Å; Y40-Y103 VanDerWaalsContact CD2-CD1 3.47Å; Y40-Y103 AromaticContact CD2-CD2 3.61Å; Y40-Y103 HydrophobicContact CD2-CD2 3.61Å; Y40-Y103 AromaticContact CD2-CE1 3.62Å; Y40-Y103 HydrophobicContact CD2-CE1 3.62Å; Y40-Y103 AromaticContact CD2-CE2 3.77Å; Y40-Y103 HydrophobicContact CD2-CE2 3.77Å; Y40-Y103 AromaticContact CD2-CG 3.46Å; Y40-Y103 HydrophobicContact CD2-CG 3.46Å; Y40-Y103 VanDerWaalsContact CD2-CG 3.46Å; Y40-Y103 AromaticContact CD2-CZ 3.77Å; Y40-Y103 HydrophobicContact CE2-CD1 4.02Å; Y40-Y103 AromaticContact CE2-CD2 3.8Å; Y40-Y103 HydrophobicContact CE2-CD2 3.8Å; Y40-Y103 AromaticContact CE2-CE1 3.69Å; Y40-Y103 HydrophobicContact CE2-CE1 3.69Å; Y40-Y103 AromaticContact CE2-CE2 3.46Å; Y40-Y103 HydrophobicContact CE2-CE2 3.46Å; Y40-Y103 VanDerWaalsContact CE2-CE2 3.46Å; Y40-Y103 HydrophobicContact CE2-CG 4.07Å; Y40-Y103 AromaticContact CE2-CZ 3.39Å; Y40-Y103 HydrophobicContact CG-CD1 4.19Å; Y40-Y103 HydrophobicContact CG-CE1 4.43Å; Y40-Y103 HydrophobicContact CG-CG 4.42Å |
| 41 | T | 92 | Very high | 92.1 | Very high | 31 Ų | 31 | 65.8 Ų | 65.8 | 19% | 0.19 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 178 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | M3 R37 N38 A39 V43 L44 H45 | M3-T41 HydrophobicContact CE-CG2 4.17Å; M3-T41 HydrophobicContact SD-CG2 3.88Å; R37-T41 PolarHBondContact O-N 3.43Å; R37-T41 PolarHBondContact O-OG1 2.7Å; R37-T41 VanDerWaalsContact O-OG1 3.04Å; N38-T41 PolarHBondContact O-N 3.37Å; A39-T41 PolarHBondContact O-N 3.04Å; T41-V43 PolarHBondContact O-N 3.39Å; T41-L44 PolarHBondContact O-N 3.46Å; T41-H45 PolarHBondContact O-CD2 2.97Å; T41-H45 VanDerWaalsContact O-CD2 3.26Å; T41-H45 PolarHBondContact O-N 3.44Å; T41-H45 VanDerWaalsContact O-N 3.1Å |
| 42 | M | 91.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 177.2 | -73.5 | -171.1 | 72.6 | 0 | 0 | 112.4 | V8 I11 W12 L15 N38 A39 Y40 H47 L51 | V8-M42 HydrophobicContact CG1-CE 4.03Å; I11-M42 HydrophobicContact CB-CG 4.37Å; I11-M42 HydrophobicContact CB-SD 4.32Å; I11-M42 HydrophobicContact CG2-CG 3.73Å; I11-M42 HydrophobicContact CG2-SD 3.7Å; W12-M42 HydrophobicContact CB-CE 4.12Å; W12-M42 HydrophobicContact CB-SD 4.41Å; L15-M42 HydrophobicContact CD1-SD 3.72Å; N38-M42 PolarHBondContact O-N 3.21Å; N38-M42 VanDerWaalsContact O-N 3.12Å; A39-M42 PolarHBondContact O-N 3.46Å; Y40-M42 PolarHBondContact O-N 3.04Å; M42-H47 HydrophobicContact CB-CB 4.47Å; M42-H47 HydrophobicContact CE-CB 4.35Å; M42-H47 WeakPolarHBondContact O-CA 3.49Å; M42-H47 WeakPolarHBondContact O-CB 3.04Å; M42-H47 PolarHBondContact O-N 3.18Å; M42-L51 HydrophobicContact CB-CD2 4.37Å; M42-L51 HydrophobicContact CE-CB 4.23Å; M42-L51 HydrophobicContact SD-CD1 4.16Å |
| 43 | V | 91.3 | Very high | 92.4 | Very high | 12 Ų | 12 | 63.1 Ų | 63.1 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.8 | -42.7 | 179.9 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | A39 Y40 T41 H45 K46 L51 Y103 M104 V107 | A39-V43 WeakPolarHBondContact O-CG2 3.3Å; A39-V43 PolarHBondContact O-N 3.31Å; A39-V43 VanDerWaalsContact O-N 3.12Å; Y40-V43 PolarHBondContact O-N 2.95Å; T41-V43 PolarHBondContact O-N 3.39Å; V43-H45 PolarHBondContact O-N 3.46Å; V43-K46 PolarHBondContact O-N 3.18Å; V43-L51 HydrophobicContact CG2-CD2 3.87Å; V43-Y103 HydrophobicContact CB-CD1 3.79Å; V43-Y103 HydrophobicContact CB-CE1 4.06Å; V43-Y103 HydrophobicContact CG1-CD1 3.74Å; V43-Y103 HydrophobicContact CG1-CE1 3.77Å; V43-M104 HydrophobicContact CG2-CB 3.95Å; V43-M104 HydrophobicContact CG2-CG 4.19Å; V43-V107 HydrophobicContact CG1-CB 4.05Å; V43-V107 HydrophobicContact CG1-CG1 4.23Å |
| 44 | L | 91.7 | Very high | 92.5 | Very high | 88 Ų | 88 | 55.7 Ų | 55.7 | 46% | 0.461 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.5 | -37.9 | 178.2 | -176.8 | 69.1 | 0 | 0 | 0 | 112.1 | Y40 T41 K46 | Y40-L44 HydrophobicContact CE1-CB 4.42Å; Y40-L44 HydrophobicContact CE1-CD2 3.83Å; Y40-L44 VanDerWaalsContact O-CB 3.3Å; Y40-L44 WeakPolarHBondContact O-CB 3.33Å; Y40-L44 PolarHBondContact O-N 3.04Å; T41-L44 PolarHBondContact O-N 3.46Å; L44-K46 VanDerWaalsContact C-N 3.29Å; L44-K46 PolarHBondContact O-N 2.86Å |
| 45 | H | 90.6 | Very high | 92.6 | Very high | 80 Ų | 80 | 51.5 Ų | 51.5 | 37% | 0.37 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 23.1 | 179.2 | -71.6 | -80.3 | 0 | 0 | 0 | 114 | M3 T41 V43 H47 | M3-H45 HydrophobicContact CG-CB 4.09Å; M3-H45 HydrophobicContact SD-CB 3.47Å; M3-H45 WeakPolarHBondContact SD-CB 3.46Å; M3-H45 PolarHBondContact SD-CD2 2.92Å; T41-H45 PolarHBondContact O-CD2 2.97Å; T41-H45 VanDerWaalsContact O-CD2 3.26Å; T41-H45 PolarHBondContact O-N 3.44Å; T41-H45 VanDerWaalsContact O-N 3.1Å; V43-H45 PolarHBondContact O-N 3.46Å; H45-H47 VanDerWaalsContact C-N 3.35Å; H45-H47 PolarHBondContact O-CD2 3.36Å; H45-H47 PolarHBondContact O-N 2.77Å |
| 46 | K | 89.7 | Confident | 92.7 | Very high | 196 Ų | 196 | 57.9 Ų | 57.9 | 85% | 0.852 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 23.9 | 175.3 | -54.2 | -172.3 | 174.6 | -171.9 | 0 | 115.7 | V43 L44 | V43-K46 PolarHBondContact O-N 3.18Å; L44-K46 VanDerWaalsContact C-N 3.29Å; L44-K46 PolarHBondContact O-N 2.86Å |
| 47 | H | 91.4 | Very high | 92.8 | Very high | 50 Ų | 50 | 60.4 Ų | 60.4 | 23% | 0.231 | 27% | 0.274 | C | S | . | . | trans | -99.1 | 24.8 | 173.6 | -63.8 | -72.9 | 0 | 0 | 0 | 113.5 | V8 M42 H45 E49 K50 L51 | V8-H47 HydrophobicContact CG1-CB 4.28Å; M42-H47 HydrophobicContact CB-CB 4.47Å; M42-H47 HydrophobicContact CE-CB 4.35Å; M42-H47 WeakPolarHBondContact O-CA 3.49Å; M42-H47 WeakPolarHBondContact O-CB 3.04Å; M42-H47 PolarHBondContact O-N 3.18Å; H45-H47 VanDerWaalsContact C-N 3.35Å; H45-H47 PolarHBondContact O-CD2 3.36Å; H45-H47 PolarHBondContact O-N 2.77Å; H47-E49 PolarHBondContact O-N 3.36Å; H47-K50 PolarHBondContact O-N 2.86Å; H47-L51 PolarHBondContact O-N 3.44Å | ||
| 48 | G | 89.9 | Confident | 93 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.9 | -35.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L51 Y52 Y108 | G48-L51 PolarHBondContact O-N 3.18Å; G48-Y52 WeakPolarHBondContact O-CB 3.34Å; G48-Y52 PolarHBondContact O-N 3.32Å; G48-Y108 VanDerWaalsContact C-CE2 3.48Å |
| 49 | E | 92.5 | Very high | 93.2 | Very high | 133 Ų | 133 | 52.8 Ų | 52.8 | 62% | 0.621 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.6 | -44.1 | 178.8 | -178.2 | -178.2 | -173.1 | 0 | 0 | 112.4 | H47 L51 Y52 T53 Y108 | H47-E49 PolarHBondContact O-N 3.36Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.14Å; E49-Y52 PolarHBondContact O-N 3.47Å; E49-T53 WeakPolarHBondContact O-CB 3.49Å; E49-T53 PolarHBondContact O-N 2.93Å; E49-T53 PolarHBondContact O-OG1 2.96Å; E49-Y108 VanDerWaalsContact CA-CZ 3.43Å; E49-Y108 VanDerWaalsContact CA-OH 3.25Å; E49-Y108 WeakPolarHBondContact CA-OH 3.38Å; E49-Y108 HydrophobicContact CB-CE2 3.91Å; E49-Y108 WeakPolarHBondContact CB-OH 3.46Å |
| 50 | K | 91.8 | Very high | 93.5 | Very high | 83 Ų | 83 | 54.1 Ų | 54.1 | 36% | 0.361 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 176.1 | -176.6 | 171.1 | -178.5 | 168 | 0 | 111.3 | V8 N9 H47 G54 | V8-K50 HydrophobicContact CG1-CD 4.47Å; N9-K50 PolarHBondContact OD1-NZ 3.3Å; H47-K50 PolarHBondContact O-N 2.86Å; K50-G54 PolarHBondContact O-N 2.93Å |
| 51 | L | 93.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 177.5 | -177.4 | 59.8 | 0 | 0 | 0 | 111.8 | W12 L15 A39 M42 V43 H47 G48 E49 L55 L101 M104 | W12-L51 HydrophobicContact CE3-CD1 3.75Å; W12-L51 HydrophobicContact CZ3-CD1 3.68Å; L15-L51 HydrophobicContact CD1-CD1 3.77Å; A39-L51 HydrophobicContact CB-CD2 4.27Å; M42-L51 HydrophobicContact CB-CD2 4.37Å; M42-L51 HydrophobicContact CE-CB 4.23Å; M42-L51 HydrophobicContact SD-CD1 4.16Å; V43-L51 HydrophobicContact CG2-CD2 3.87Å; H47-L51 PolarHBondContact O-N 3.44Å; G48-L51 PolarHBondContact O-N 3.18Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.14Å; L51-L55 VanDerWaalsContact O-CB 3.31Å; L51-L55 WeakPolarHBondContact O-CB 3.33Å; L51-L55 PolarHBondContact O-N 3.33Å; L51-L101 HydrophobicContact CD1-CD2 4.16Å; L51-L101 HydrophobicContact CD2-CD2 4.08Å; L51-L101 HydrophobicContact CG-CD2 4.34Å; L51-M104 HydrophobicContact CB-SD 4.14Å; L51-M104 HydrophobicContact CD2-SD 3.86Å; L51-M104 HydrophobicContact CG-SD 3.73Å |
| 52 | Y | 95.4 | Very high | 93.8 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 8% | 0.078 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.9 | -46.2 | 179.2 | -170.8 | -90.7 | 0 | 0 | 0 | 112.3 | G48 E49 L55 R56 M104 Y108 V109 V114 E115 L120 | G48-Y52 WeakPolarHBondContact O-CB 3.34Å; G48-Y52 PolarHBondContact O-N 3.32Å; E49-Y52 PolarHBondContact O-N 3.47Å; Y52-L55 PolarHBondContact O-N 3.15Å; Y52-R56 PolarHBondContact O-N 2.97Å; Y52-M104 HydrophobicContact CD2-CE 3.85Å; Y52-M104 HydrophobicContact CD2-SD 4.15Å; Y52-Y108 HydrophobicContact CD1-CE1 4.46Å; Y52-Y108 HydrophobicContact CD2-CD1 4.25Å; Y52-Y108 HydrophobicContact CD2-CE1 4.13Å; Y52-Y108 HydrophobicContact CG-CD1 4.34Å; Y52-Y108 AromaticContact CG-CE1 3.83Å; Y52-Y108 HydrophobicContact CG-CE1 3.83Å; Y52-V109 HydrophobicContact CD2-CG2 4.29Å; Y52-V109 HydrophobicContact CE2-CG2 4.09Å; Y52-V114 HydrophobicContact CD2-CG2 4.3Å; Y52-V114 HydrophobicContact CE1-CB 4.33Å; Y52-V114 HydrophobicContact CE1-CG2 4.26Å; Y52-V114 HydrophobicContact CE2-CB 4.49Å; Y52-V114 HydrophobicContact CE2-CG2 3.8Å; Y52-E115 WeakPolarHBondContact CE2-O 3.34Å; Y52-E115 PolarHBondContact OH-N 3.27Å; Y52-E115 PolarHBondContact OH-O 2.65Å; Y52-L120 HydrophobicContact CE1-CD2 4.11Å; Y52-L120 HydrophobicContact CE2-CD2 4.05Å |
| 53 | T | 94.5 | Very high | 94.1 | Very high | 60 Ų | 60 | 55.3 Ų | 55.3 | 37% | 0.368 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.9 | -44 | 178.8 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | E49 L55 R56 E57 | E49-T53 WeakPolarHBondContact O-CB 3.49Å; E49-T53 PolarHBondContact O-N 2.93Å; E49-T53 PolarHBondContact O-OG1 2.96Å; T53-L55 PolarHBondContact O-N 3.49Å; T53-R56 WeakPolarHBondContact O-CB 3.45Å; T53-R56 PolarHBondContact O-N 3.05Å; T53-E57 WeakPolarHBondContact O-CG 3.38Å; T53-E57 PolarHBondContact O-N 3.08Å |
| 54 | G | 94.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W12 K50 R56 E57 V58 | W12-G54 VanDerWaalsContact CH2-CA 3.47Å; W12-G54 WeakPolarHBondContact CH2-O 3.43Å; K50-G54 PolarHBondContact O-N 2.93Å; G54-R56 VanDerWaalsContact C-N 3.33Å; G54-R56 PolarHBondContact O-N 3.16Å; G54-E57 PolarHBondContact O-N 2.81Å; G54-V58 VanDerWaalsContact O-CG2 3.25Å; G54-V58 WeakPolarHBondContact O-CG2 3.49Å; G54-V58 PolarHBondContact O-N 3.15Å |
| 55 | L | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.8 | -49.1 | 173.3 | 167.9 | 69.6 | 0 | 0 | 0 | 110.7 | W12 I19 L51 Y52 T53 E57 V58 V59 I97 L101 M104 V117 L120 | W12-L55 VanDerWaalsContact CH2-N 3.34Å; I19-L55 HydrophobicContact CD1-CD1 3.9Å; L51-L55 VanDerWaalsContact O-CB 3.31Å; L51-L55 WeakPolarHBondContact O-CB 3.33Å; L51-L55 PolarHBondContact O-N 3.33Å; Y52-L55 PolarHBondContact O-N 3.15Å; T53-L55 PolarHBondContact O-N 3.49Å; L55-E57 VanDerWaalsContact C-N 3.3Å; L55-E57 PolarHBondContact O-N 3.4Å; L55-V58 PolarHBondContact O-N 2.83Å; L55-V59 HydrophobicContact CD1-CG2 3.79Å; L55-V59 HydrophobicContact CG-CG2 4.41Å; L55-V59 WeakPolarHBondContact O-CB 3.25Å; L55-V59 WeakPolarHBondContact O-CG2 3.43Å; L55-V59 PolarHBondContact O-N 3.26Å; L55-I97 HydrophobicContact CD1-CG2 3.56Å; L55-L101 HydrophobicContact CD1-CD1 4.02Å; L55-L101 HydrophobicContact CD2-CD1 3.7Å; L55-L101 HydrophobicContact CG-CD1 4.27Å; L55-M104 HydrophobicContact CD2-CE 4Å; L55-V117 HydrophobicContact CD2-CB 4.35Å; L55-V117 HydrophobicContact CD2-CG1 3.88Å; L55-V117 HydrophobicContact CD2-CG2 3.86Å; L55-L120 HydrophobicContact CD2-CD2 4.16Å |
| 56 | R | 96.8 | Very high | 94.7 | Very high | 140 Ų | 140 | 59 Ų | 59 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.4 | -45.9 | 179 | -176.8 | 177.8 | -178.8 | 173.5 | 1.5 | 111.3 | Y52 T53 G54 T60 L120 I124 | Y52-R56 PolarHBondContact O-N 2.97Å; T53-R56 WeakPolarHBondContact O-CB 3.45Å; T53-R56 PolarHBondContact O-N 3.05Å; G54-R56 VanDerWaalsContact C-N 3.33Å; G54-R56 PolarHBondContact O-N 3.16Å; R56-T60 WeakPolarHBondContact O-CB 3.29Å; R56-T60 PolarHBondContact O-N 3.05Å; R56-T60 PolarHBondContact O-OG1 3.48Å; R56-L120 HydrophobicContact CB-CD2 4.16Å; R56-L120 HydrophobicContact CG-CD1 4.28Å; R56-I124 HydrophobicContact CG-CD1 4.03Å |
| 57 | E | 96.6 | Very high | 95 | Very high | 121 Ų | 121 | 50.3 Ų | 50.3 | 57% | 0.565 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.5 | -49.5 | 178.7 | -72.8 | 172.5 | -177.8 | 0 | 0 | 111.9 | T53 G54 L55 V59 T60 E61 | T53-E57 WeakPolarHBondContact O-CG 3.38Å; T53-E57 PolarHBondContact O-N 3.08Å; G54-E57 PolarHBondContact O-N 2.81Å; L55-E57 VanDerWaalsContact C-N 3.3Å; L55-E57 PolarHBondContact O-N 3.4Å; E57-V59 PolarHBondContact O-N 3.17Å; E57-T60 PolarHBondContact O-N 2.92Å; E57-E61 WeakPolarHBondContact O-CB 3.47Å; E57-E61 PolarHBondContact O-N 3.25Å |
| 58 | V | 96.5 | Very high | 95.3 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | -178.4 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | W12 K16 I19 Q20 G54 L55 H62 | W12-V58 HydrophobicContact CH2-CG2 4.1Å; W12-V58 HydrophobicContact CZ2-CG2 3.91Å; K16-V58 HydrophobicContact CB-CG2 4.4Å; K16-V58 HydrophobicContact CD-CG2 3.87Å; K16-V58 HydrophobicContact CG-CG2 3.69Å; I19-V58 HydrophobicContact CB-CG1 4.29Å; I19-V58 HydrophobicContact CG2-CG1 3.68Å; Q20-V58 HydrophobicContact CG-CG1 3.86Å; G54-V58 VanDerWaalsContact O-CG2 3.25Å; G54-V58 WeakPolarHBondContact O-CG2 3.49Å; G54-V58 PolarHBondContact O-N 3.15Å; L55-V58 PolarHBondContact O-N 2.83Å; V58-H62 PolarHBondContact O-N 2.87Å; V58-H62 VanDerWaalsContact O-N 3.15Å |
| 59 | V | 96.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 175.9 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | L55 E57 H62 L63 M94 I124 | L55-V59 HydrophobicContact CD1-CG2 3.79Å; L55-V59 HydrophobicContact CG-CG2 4.41Å; L55-V59 WeakPolarHBondContact O-CB 3.25Å; L55-V59 WeakPolarHBondContact O-CG2 3.43Å; L55-V59 PolarHBondContact O-N 3.26Å; E57-V59 PolarHBondContact O-N 3.17Å; V59-H62 PolarHBondContact O-N 3.33Å; V59-L63 HydrophobicContact CG1-CD1 3.9Å; V59-L63 HydrophobicContact CG1-CG 4.4Å; V59-L63 WeakPolarHBondContact O-CB 3.42Å; V59-L63 VanDerWaalsContact O-CG 3.3Å; V59-L63 WeakPolarHBondContact O-CG 3.48Å; V59-L63 PolarHBondContact O-N 3.47Å; V59-M94 HydrophobicContact CG1-SD 4.35Å; V59-M94 HydrophobicContact CG2-SD 4.16Å; V59-I124 HydrophobicContact CB-CD1 4.03Å; V59-I124 HydrophobicContact CG1-CB 4.44Å; V59-I124 HydrophobicContact CG1-CD1 3.82Å; V59-I124 HydrophobicContact CG1-CG2 4.38Å |
| 60 | T | 97.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 19% | 0.19 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62 | -46.4 | 177.3 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | R56 E57 H62 L63 I64 I124 Q128 | R56-T60 WeakPolarHBondContact O-CB 3.29Å; R56-T60 PolarHBondContact O-N 3.05Å; R56-T60 PolarHBondContact O-OG1 3.48Å; E57-T60 PolarHBondContact O-N 2.92Å; T60-H62 PolarHBondContact O-N 3.01Å; T60-L63 PolarHBondContact O-N 3.46Å; T60-I64 HydrophobicContact CG2-CD1 3.54Å; T60-I64 HydrophobicContact CG2-CG1 4.2Å; T60-I64 WeakPolarHBondContact O-CB 3.33Å; T60-I64 VanDerWaalsContact O-CG1 3.25Å; T60-I64 WeakPolarHBondContact O-CG1 3.42Å; T60-I64 PolarHBondContact O-N 2.85Å; T60-I124 WeakPolarHBondContact OG1-CG2 3.46Å; T60-Q128 HydrophobicContact CG2-CG 4.32Å |
| 61 | E | 96.3 | Very high | 95.8 | Very high | 92 Ų | 92 | 45.5 Ų | 45.5 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.1 | -45.4 | -179.6 | -171.1 | -177.7 | 179.8 | 0 | 0 | 111.7 | E57 I64 N65 | E57-E61 WeakPolarHBondContact O-CB 3.47Å; E57-E61 PolarHBondContact O-N 3.25Å; E61-I64 PolarHBondContact O-N 2.93Å; E61-N65 VanDerWaalsContact CG-ND2 3.28Å; E61-N65 WeakPolarHBondContact CG-ND2 3.46Å; E61-N65 VanDerWaalsContact O-CB 3.28Å; E61-N65 WeakPolarHBondContact O-CB 3.46Å; E61-N65 PolarHBondContact O-N 3.23Å; E61-N65 PolarHBondContact O-ND2 2.95Å |
| 62 | H | 96.3 | Very high | 95.9 | Very high | 44 Ų | 44 | 47.4 Ų | 47.4 | 20% | 0.204 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 176.4 | 178.1 | 70.7 | 0 | 0 | 0 | 112.4 | V58 V59 T60 I64 K66 V67 | V58-H62 PolarHBondContact O-N 2.87Å; V58-H62 VanDerWaalsContact O-N 3.15Å; V59-H62 PolarHBondContact O-N 3.33Å; T60-H62 PolarHBondContact O-N 3.01Å; H62-I64 VanDerWaalsContact C-N 3.33Å; H62-I64 PolarHBondContact O-N 3.33Å; H62-K66 WeakPolarHBondContact O-CB 3.47Å; H62-K66 PolarHBondContact O-N 2.99Å; H62-K66 VanDerWaalsContact O-N 3.07Å; H62-V67 PolarHBondContact O-N 3.31Å |
| 63 | L | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -65.1 | -37 | -179.8 | -71.7 | 177.5 | 0 | 0 | 0 | 112.2 | V59 T60 V67 R68 I124 F125 V129 | V59-L63 HydrophobicContact CG1-CD1 3.9Å; V59-L63 HydrophobicContact CG1-CG 4.4Å; V59-L63 WeakPolarHBondContact O-CB 3.42Å; V59-L63 VanDerWaalsContact O-CG 3.3Å; V59-L63 WeakPolarHBondContact O-CG 3.48Å; V59-L63 PolarHBondContact O-N 3.47Å; T60-L63 PolarHBondContact O-N 3.46Å; L63-V67 HydrophobicContact CD2-CB 3.98Å; L63-V67 HydrophobicContact CD2-CG1 4.22Å; L63-V67 HydrophobicContact CD2-CG2 3.88Å; L63-R68 VanDerWaalsContact O-CB 3.23Å; L63-R68 WeakPolarHBondContact O-CB 3.23Å; L63-R68 PolarHBondContact O-N 2.92Å; L63-I124 HydrophobicContact CD1-CB 4.02Å; L63-I124 HydrophobicContact CD1-CG2 3.53Å; L63-F125 HydrophobicContact CD1-CB 4.28Å; L63-F125 HydrophobicContact CD2-CD2 3.8Å; L63-F125 HydrophobicContact CD2-CE2 4.36Å; L63-V129 HydrophobicContact CB-CG2 4.18Å; L63-V129 HydrophobicContact CD2-CG2 4.15Å |
| 64 | I | 96.7 | Very high | 95.9 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -73.9 | -53.6 | 177.8 | -67.2 | 177.5 | 0 | 0 | 0 | 111.3 | T60 E61 H62 K66 Q128 | T60-I64 HydrophobicContact CG2-CD1 3.54Å; T60-I64 HydrophobicContact CG2-CG1 4.2Å; T60-I64 WeakPolarHBondContact O-CB 3.33Å; T60-I64 VanDerWaalsContact O-CG1 3.25Å; T60-I64 WeakPolarHBondContact O-CG1 3.42Å; T60-I64 PolarHBondContact O-N 2.85Å; E61-I64 PolarHBondContact O-N 2.93Å; H62-I64 VanDerWaalsContact C-N 3.33Å; H62-I64 PolarHBondContact O-N 3.33Å; I64-K66 PolarHBondContact O-N 3.37Å; I64-Q128 HydrophobicContact CG1-CB 4.31Å |
| 65 | N | 94.9 | Very high | 95.7 | Very high | 105 Ų | 105 | 51.4 Ų | 51.4 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | I | π-helix | trans | -81.3 | -17.7 | -167.2 | -65.9 | -23.2 | 0 | 0 | 0 | 113.4 | E61 | E61-N65 VanDerWaalsContact CG-ND2 3.28Å; E61-N65 WeakPolarHBondContact CG-ND2 3.46Å; E61-N65 VanDerWaalsContact O-CB 3.28Å; E61-N65 WeakPolarHBondContact O-CB 3.46Å; E61-N65 PolarHBondContact O-N 3.23Å; E61-N65 PolarHBondContact O-ND2 2.95Å |
| 66 | K | 94.4 | Very high | 95.3 | Very high | 106 Ų | 106 | 59 Ų | 59 | 46% | 0.461 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -123.2 | -62.9 | -178.7 | -174.4 | 53 | 179.1 | 150.2 | 0 | 113 | H62 I64 E69 D70 | H62-K66 WeakPolarHBondContact O-CB 3.47Å; H62-K66 PolarHBondContact O-N 2.99Å; H62-K66 VanDerWaalsContact O-N 3.07Å; I64-K66 PolarHBondContact O-N 3.37Å; K66-E69 PolarHBondContact O-N 3.09Å; K66-D70 WeakPolarHBondContact CD-OD2 3.32Å; K66-D70 WeakPolarHBondContact CE-OD2 3.29Å; K66-D70 IonicContact NZ-OD1 3.88Å; K66-D70 PolarHBondContact NZ-OD1 3.45Å; K66-D70 IonicContact NZ-OD2 2.76Å; K66-D70 PolarHBondContact NZ-OD2 3.23Å; K66-D70 VanDerWaalsContact O-CG 3.28Å; K66-D70 PolarHBondContact O-N 3.44Å |
| 67 | V | 96.4 | Very high | 94.9 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -65.9 | -47.8 | -169.8 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | H62 L63 E69 D70 V71 A86 F125 V129 | H62-V67 PolarHBondContact O-N 3.31Å; L63-V67 HydrophobicContact CD2-CB 3.98Å; L63-V67 HydrophobicContact CD2-CG1 4.22Å; L63-V67 HydrophobicContact CD2-CG2 3.88Å; V67-E69 PolarHBondContact O-N 3.33Å; V67-D70 PolarHBondContact O-N 2.81Å; V67-V71 WeakPolarHBondContact O-CG2 3.33Å; V67-V71 PolarHBondContact O-N 3.17Å; V67-A86 HydrophobicContact CG1-CB 3.73Å; V67-F125 HydrophobicContact CG1-CE2 4.19Å; V67-V129 HydrophobicContact CG1-CG1 4.33Å; V67-V129 HydrophobicContact CG1-CG2 4.14Å |
| 68 | R | 96.3 | Very high | 94.6 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 6% | 0.064 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -58.4 | -48 | 176.9 | 173 | -166.1 | -70 | 179.1 | -0.8 | 111.7 | L63 D70 V71 L72 Q128 Y132 | L63-R68 VanDerWaalsContact O-CB 3.23Å; L63-R68 WeakPolarHBondContact O-CB 3.23Å; L63-R68 PolarHBondContact O-N 2.92Å; R68-D70 PolarHBondContact O-N 3.35Å; R68-V71 PolarHBondContact O-N 2.71Å; R68-L72 HydrophobicContact CG-CD1 3.93Å; R68-L72 HydrophobicContact CG-CG 4.34Å; R68-L72 WeakPolarHBondContact O-CG 3.3Å; R68-L72 PolarHBondContact O-N 3.36Å; R68-Q128 PolarHBondContact NE-O 2.78Å; R68-Q128 VanDerWaalsContact NH2-CA 3.3Å; R68-Q128 PolarHBondContact NH2-O 2.93Å; R68-Y132 HydrophobicContact CG-CD1 3.81Å; R68-Y132 HydrophobicContact CG-CE1 4.1Å; R68-Y132 HydrophobicContact CG-CG 4.31Å; R68-Y132 VanDerWaalsContact CZ-CE2 3.4Å |
| 69 | E | 95.7 | Very high | 94.6 | Very high | 86 Ų | 86 | 56.8 Ų | 56.8 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 179.7 | -69.4 | -61 | 132.8 | 0 | 0 | 111.6 | K66 V67 V71 L72 N73 | K66-E69 PolarHBondContact O-N 3.09Å; V67-E69 PolarHBondContact O-N 3.33Å; E69-V71 VanDerWaalsContact C-N 3.32Å; E69-V71 PolarHBondContact O-N 2.95Å; E69-L72 PolarHBondContact O-N 3.03Å; E69-N73 WeakPolarHBondContact O-CB 3.46Å; E69-N73 VanDerWaalsContact O-CG 3.22Å; E69-N73 PolarHBondContact O-N 3.35Å; E69-N73 PolarHBondContact O-ND2 2.85Å |
| 70 | D | 94.6 | Very high | 94.5 | Very high | 64 Ų | 64 | 58 Ų | 58 | 34% | 0.342 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 175.8 | -69.8 | -17.8 | 0 | 0 | 0 | 111.5 | K66 V67 R68 S74 | K66-D70 WeakPolarHBondContact CD-OD2 3.32Å; K66-D70 WeakPolarHBondContact CE-OD2 3.29Å; K66-D70 IonicContact NZ-OD1 3.88Å; K66-D70 PolarHBondContact NZ-OD1 3.45Å; K66-D70 IonicContact NZ-OD2 2.76Å; K66-D70 PolarHBondContact NZ-OD2 3.23Å; K66-D70 VanDerWaalsContact O-CG 3.28Å; K66-D70 PolarHBondContact O-N 3.44Å; V67-D70 PolarHBondContact O-N 2.81Å; R68-D70 PolarHBondContact O-N 3.35Å; D70-S74 PolarHBondContact O-N 3.49Å |
| 71 | V | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 176.3 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | V67 R68 E69 N73 S74 L75 F79 T82 L83 A86 V129 I135 | V67-V71 WeakPolarHBondContact O-CG2 3.33Å; V67-V71 PolarHBondContact O-N 3.17Å; R68-V71 PolarHBondContact O-N 2.71Å; E69-V71 VanDerWaalsContact C-N 3.32Å; E69-V71 PolarHBondContact O-N 2.95Å; V71-N73 VanDerWaalsContact C-N 3.35Å; V71-N73 PolarHBondContact O-N 3.35Å; V71-S74 PolarHBondContact O-N 2.88Å; V71-S74 VanDerWaalsContact O-N 3.09Å; V71-S74 PolarHBondContact O-OG 2.91Å; V71-L75 PolarHBondContact O-N 2.91Å; V71-F79 HydrophobicContact CG1-CD2 4.21Å; V71-F79 HydrophobicContact CG1-CE2 3.61Å; V71-T82 HydrophobicContact CG2-CG2 4.49Å; V71-L83 HydrophobicContact CG1-CD1 4.25Å; V71-L83 HydrophobicContact CG2-CD1 4.06Å; V71-A86 HydrophobicContact CG2-CB 4.49Å; V71-V129 HydrophobicContact CG2-CG1 4.17Å; V71-I135 HydrophobicContact CB-CD1 4.42Å; V71-I135 HydrophobicContact CG1-CD1 3.85Å; V71-I135 HydrophobicContact CG1-CG1 4.28Å; V71-I135 HydrophobicContact CG1-CG2 4.07Å |
| 72 | L | 95 | Very high | 94.4 | Very high | 41 Ų | 41 | 60.6 Ų | 60.6 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 177.2 | -72.9 | 171.5 | 0 | 0 | 0 | 112 | R68 E69 S74 L75 Y132 I135 | R68-L72 HydrophobicContact CG-CD1 3.93Å; R68-L72 HydrophobicContact CG-CG 4.34Å; R68-L72 WeakPolarHBondContact O-CG 3.3Å; R68-L72 PolarHBondContact O-N 3.36Å; E69-L72 PolarHBondContact O-N 3.03Å; L72-S74 PolarHBondContact O-N 3.4Å; L72-L75 HydrophobicContact CD2-CD1 4.07Å; L72-L75 WeakPolarHBondContact O-CD1 3.42Å; L72-L75 VanDerWaalsContact O-CG 3.26Å; L72-L75 WeakPolarHBondContact O-CG 3.39Å; L72-L75 PolarHBondContact O-N 3.38Å; L72-Y132 HydrophobicContact CD1-CD1 4.44Å; L72-Y132 HydrophobicContact CD1-CE1 3.95Å; L72-Y132 HydrophobicContact CD2-CE1 4.5Å; L72-I135 HydrophobicContact CD2-CD1 3.8Å; L72-I135 HydrophobicContact CD2-CG1 3.73Å; L72-I135 HydrophobicContact CG-CD1 4.07Å; L72-I135 HydrophobicContact CG-CG1 4.5Å |
| 73 | N | 94.4 | Very high | 94.4 | Very high | 129 Ų | 129 | 58.7 Ų | 58.7 | 69% | 0.69 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.5 | -23.2 | 177.5 | -70.5 | -38.7 | 0 | 0 | 0 | 112.7 | E69 V71 | E69-N73 WeakPolarHBondContact O-CB 3.46Å; E69-N73 VanDerWaalsContact O-CG 3.22Å; E69-N73 PolarHBondContact O-N 3.35Å; E69-N73 PolarHBondContact O-ND2 2.85Å; V71-N73 VanDerWaalsContact C-N 3.35Å; V71-N73 PolarHBondContact O-N 3.35Å |
| 74 | S | 95.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 60.6 Ų | 60.6 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -3.1 | 179.6 | 75 | 0 | 0 | 0 | 0 | 115.3 | D70 V71 L72 N76 N77 F79 T82 | D70-S74 PolarHBondContact O-N 3.49Å; V71-S74 PolarHBondContact O-N 2.88Å; V71-S74 VanDerWaalsContact O-N 3.09Å; V71-S74 PolarHBondContact O-OG 2.91Å; L72-S74 PolarHBondContact O-N 3.4Å; S74-N76 PolarHBondContact O-N 3.38Å; S74-N76 VanDerWaalsContact O-N 3.1Å; S74-N77 CarbonylContact O-C 3.21Å; S74-N77 VanDerWaalsContact O-C 3.25Å; S74-N77 PolarHBondContact O-N 3.47Å; S74-F79 WeakPolarHBondContact O-CA 3.26Å; S74-F79 WeakPolarHBondContact O-CB 3.47Å; S74-F79 PolarHBondContact O-N 3.04Å; S74-T82 WeakPolarHBondContact CB-OG1 3.33Å; S74-T82 WeakPolarHBondContact OG-CB 3.38Å |
| 75 | L | 91.6 | Very high | 94.3 | Very high | 30 Ų | 30 | 63 Ų | 63 | 16% | 0.157 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -41.9 | -173.9 | -72.9 | 169.3 | 0 | 0 | 0 | 113 | V71 L72 F79 H138 | V71-L75 PolarHBondContact O-N 2.91Å; L72-L75 HydrophobicContact CD2-CD1 4.07Å; L72-L75 WeakPolarHBondContact O-CD1 3.42Å; L72-L75 VanDerWaalsContact O-CG 3.26Å; L72-L75 WeakPolarHBondContact O-CG 3.39Å; L72-L75 PolarHBondContact O-N 3.38Å; L75-F79 HydrophobicContact CD2-CD2 3.74Å; L75-F79 HydrophobicContact CD2-CE2 3.58Å; L75-F79 HydrophobicContact CD2-CZ 4.34Å; L75-F79 HydrophobicContact CG-CD2 4.47Å; L75-H138 HydrophobicContact CD2-CB 4Å; L75-H138 PolarHBondContact O-NE2 3.1Å |
| 76 | N | 87.1 | Confident | 94.4 | Very high | 159 Ų | 159 | 58.8 Ų | 58.8 | 85% | 0.85 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -4.3 | -178.4 | -61.7 | -47.9 | 0 | 0 | 0 | 114.1 | S74 | S74-N76 PolarHBondContact O-N 3.38Å; S74-N76 VanDerWaalsContact O-N 3.1Å |
| 77 | N | 88.4 | Confident | 94.5 | Very high | 113 Ų | 113 | 54 Ų | 54 | 60% | 0.604 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -156.5 | 120.5 | -177.8 | -165 | 10.9 | 0 | 0 | 0 | 112.2 | S74 F79 | S74-N77 CarbonylContact O-C 3.21Å; S74-N77 VanDerWaalsContact O-C 3.25Å; S74-N77 PolarHBondContact O-N 3.47Å; N77-F79 PolarHBondContact O-N 3.46Å |
| 78 | N | 90 | Very high | 94.5 | Very high | 94 Ų | 94 | 56.2 Ų | 56.2 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 23 | -179.1 | -54.6 | -43.4 | 0 | 0 | 0 | 115.3 | L80 Q81 T82 | N78-L80 PolarHBondContact O-N 3.01Å; N78-Q81 HydrophobicContact CB-CB 4.43Å; N78-Q81 WeakPolarHBondContact O-CB 3.31Å; N78-Q81 PolarHBondContact O-N 2.87Å; N78-Q81 VanDerWaalsContact O-N 3.09Å; N78-T82 PolarHBondContact O-N 3.38Å; N78-T82 PolarHBondContact O-OG1 3.09Å |
| 79 | F | 95.7 | Very high | 94.5 | Very high | 10 Ų | 10 | 57.6 Ų | 57.6 | 4% | 0.044 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -47.3 | -56.7 | -177.4 | 174.3 | -109.7 | 0 | 0 | 0 | 114.5 | V71 S74 L75 N77 Q81 T82 L83 I135 H138 L139 | V71-F79 HydrophobicContact CG1-CD2 4.21Å; V71-F79 HydrophobicContact CG1-CE2 3.61Å; S74-F79 WeakPolarHBondContact O-CA 3.26Å; S74-F79 WeakPolarHBondContact O-CB 3.47Å; S74-F79 PolarHBondContact O-N 3.04Å; L75-F79 HydrophobicContact CD2-CD2 3.74Å; L75-F79 HydrophobicContact CD2-CE2 3.58Å; L75-F79 HydrophobicContact CD2-CZ 4.34Å; L75-F79 HydrophobicContact CG-CD2 4.47Å; N77-F79 PolarHBondContact O-N 3.46Å; F79-Q81 VanDerWaalsContact C-N 3.27Å; F79-Q81 PolarHBondContact O-N 3.21Å; F79-T82 PolarHBondContact O-N 3.47Å; F79-L83 HydrophobicContact CE1-CD2 4.23Å; F79-L83 HydrophobicContact CE2-CD2 4.5Å; F79-L83 HydrophobicContact CZ-CD2 3.88Å; F79-L83 WeakPolarHBondContact O-CB 3.42Å; F79-L83 PolarHBondContact O-N 3.34Å; F79-I135 HydrophobicContact CE2-CG2 4.14Å; F79-I135 HydrophobicContact CZ-CG2 3.99Å; F79-H138 AromaticContact CD1-CD2 3.79Å; F79-H138 AromaticContact CE1-CD2 3.91Å; F79-H138 AromaticContact CG-CD2 3.97Å; F79-L139 HydrophobicContact CE1-CB 3.89Å; F79-L139 HydrophobicContact CE1-CD1 3.91Å; F79-L139 HydrophobicContact CZ-CB 4.05Å |
| 80 | L | 95.1 | Very high | 94.5 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 14% | 0.141 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.4 | -34.3 | -178 | -67.3 | -178.4 | 0 | 0 | 0 | 112.3 | N78 N84 L139 T142 L143 M146 A160 | N78-L80 PolarHBondContact O-N 3.01Å; L80-N84 WeakPolarHBondContact O-CB 3.26Å; L80-N84 PolarHBondContact O-N 2.92Å; L80-L139 HydrophobicContact CD2-CD1 3.48Å; L80-L139 VanDerWaalsContact CD2-CD1 3.48Å; L80-T142 HydrophobicContact CD1-CG2 3.93Å; L80-T142 HydrophobicContact CD2-CG2 4.38Å; L80-T142 HydrophobicContact CG-CG2 4.06Å; L80-L143 HydrophobicContact CD1-CD2 4.27Å; L80-L143 HydrophobicContact CD2-CD2 4.32Å; L80-M146 HydrophobicContact CD1-SD 3.59Å; L80-M146 VanDerWaalsContact CD1-SD 3.59Å; L80-A160 HydrophobicContact CD1-CB 4Å |
| 81 | Q | 94.8 | Very high | 94.6 | Very high | 135 Ų | 135 | 52.7 Ų | 52.7 | 63% | 0.631 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -69.1 | -47.5 | 177.4 | -173.9 | -178.4 | 3.2 | 0 | 0 | 110.9 | N78 F79 N84 Q85 | N78-Q81 HydrophobicContact CB-CB 4.43Å; N78-Q81 WeakPolarHBondContact O-CB 3.31Å; N78-Q81 PolarHBondContact O-N 2.87Å; N78-Q81 VanDerWaalsContact O-N 3.09Å; F79-Q81 VanDerWaalsContact C-N 3.27Å; F79-Q81 PolarHBondContact O-N 3.21Å; Q81-N84 PolarHBondContact O-N 3.36Å; Q81-Q85 WeakPolarHBondContact O-CB 3.46Å; Q81-Q85 PolarHBondContact O-N 3.34Å |
| 82 | T | 96.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 26% | 0.264 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 177.2 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | V71 S74 N78 F79 Q85 A86 | V71-T82 HydrophobicContact CG2-CG2 4.49Å; S74-T82 WeakPolarHBondContact CB-OG1 3.33Å; S74-T82 WeakPolarHBondContact OG-CB 3.38Å; N78-T82 PolarHBondContact O-N 3.38Å; N78-T82 PolarHBondContact O-OG1 3.09Å; F79-T82 PolarHBondContact O-N 3.47Å; T82-Q85 PolarHBondContact O-N 3.32Å; T82-A86 WeakPolarHBondContact O-CB 3.36Å; T82-A86 PolarHBondContact O-N 3.39Å |
| 83 | L | 96.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 178.9 | -178.2 | 60.5 | 0 | 0 | 0 | 112 | V71 F79 A86 W87 F125 V129 L139 M167 | V71-L83 HydrophobicContact CG1-CD1 4.25Å; V71-L83 HydrophobicContact CG2-CD1 4.06Å; F79-L83 HydrophobicContact CE1-CD2 4.23Å; F79-L83 HydrophobicContact CE2-CD2 4.5Å; F79-L83 HydrophobicContact CZ-CD2 3.88Å; F79-L83 WeakPolarHBondContact O-CB 3.42Å; F79-L83 PolarHBondContact O-N 3.34Å; L83-A86 PolarHBondContact O-N 2.89Å; L83-W87 WeakPolarHBondContact O-CB 3.37Å; L83-W87 PolarHBondContact O-N 3.29Å; L83-F125 HydrophobicContact CD1-CE1 4.49Å; L83-F125 HydrophobicContact CD1-CZ 4.27Å; L83-V129 HydrophobicContact CD1-CG1 4.21Å; L83-L139 HydrophobicContact CD2-CD1 4.09Å; L83-L139 HydrophobicContact CD2-CD2 4.08Å; L83-M167 HydrophobicContact CD2-CE 4.03Å; L83-M167 HydrophobicContact CG-CE 4.38Å; L83-M167 HydrophobicContact CG-SD 4.36Å |
| 84 | N | 95.9 | Very high | 94.8 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 21% | 0.214 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.2 | -40 | 177.7 | -173.6 | 46.4 | 0 | 0 | 0 | 111.8 | L80 Q81 W87 N88 N163 | L80-N84 WeakPolarHBondContact O-CB 3.26Å; L80-N84 PolarHBondContact O-N 2.92Å; Q81-N84 PolarHBondContact O-N 3.36Å; N84-W87 PolarHBondContact O-N 3.43Å; N84-N88 VanDerWaalsContact O-CG 3.28Å; N84-N88 PolarHBondContact O-N 2.98Å; N84-N88 PolarHBondContact O-ND2 3.42Å; N84-N163 PolarHBondContact ND2-ND2 2.89Å |
| 85 | Q | 95.8 | Very high | 94.8 | Very high | 96 Ų | 96 | 50.9 Ų | 50.9 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 175.3 | -174.4 | 60.1 | 52.1 | 0 | 0 | 111.2 | Q81 T82 W87 N88 D89 | Q81-Q85 WeakPolarHBondContact O-CB 3.46Å; Q81-Q85 PolarHBondContact O-N 3.34Å; T82-Q85 PolarHBondContact O-N 3.32Å; Q85-W87 VanDerWaalsContact C-N 3.27Å; Q85-W87 PolarHBondContact O-N 3.32Å; Q85-N88 PolarHBondContact O-N 3.35Å; Q85-D89 VanDerWaalsContact NE2-CG 3.32Å; Q85-D89 PolarHBondContact NE2-OD1 3.48Å; Q85-D89 PolarHBondContact NE2-OD2 2.9Å; Q85-D89 WeakPolarHBondContact O-CB 3.44Å; Q85-D89 PolarHBondContact O-N 2.83Å |
| 86 | A | 96.2 | Very high | 94.9 | Very high | 16 Ų | 16 | 51 Ų | 51 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.4 | -40.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V67 V71 T82 L83 H90 | V67-A86 HydrophobicContact CG1-CB 3.73Å; V71-A86 HydrophobicContact CG2-CB 4.49Å; T82-A86 WeakPolarHBondContact O-CB 3.36Å; T82-A86 PolarHBondContact O-N 3.39Å; L83-A86 PolarHBondContact O-N 2.89Å; A86-H90 VanDerWaalsContact O-CB 3.29Å; A86-H90 WeakPolarHBondContact O-CB 3.3Å; A86-H90 PolarHBondContact O-N 3.49Å |
| 87 | W | 97.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 2% | 0.023 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.8 | -49.9 | 175.8 | 171.4 | -116.4 | 0 | 0 | 0 | 112.5 | L83 N84 Q85 D89 H90 Q91 L122 F125 M167 I170 L171 | L83-W87 WeakPolarHBondContact O-CB 3.37Å; L83-W87 PolarHBondContact O-N 3.29Å; N84-W87 PolarHBondContact O-N 3.43Å; Q85-W87 VanDerWaalsContact C-N 3.27Å; Q85-W87 PolarHBondContact O-N 3.32Å; W87-D89 VanDerWaalsContact C-N 3.3Å; W87-D89 PolarHBondContact O-N 3.23Å; W87-H90 PolarHBondContact O-N 3.45Å; W87-Q91 HydrophobicContact CD2-CG 3.96Å; W87-Q91 VanDerWaalsContact CE2-OE1 3.29Å; W87-Q91 HydrophobicContact CE3-CG 4.17Å; W87-Q91 HydrophobicContact CH2-CG 3.93Å; W87-Q91 HydrophobicContact CZ2-CG 3.64Å; W87-Q91 HydrophobicContact CZ3-CG 4.15Å; W87-Q91 WeakPolarHBondContact O-CG 3.32Å; W87-Q91 PolarHBondContact O-N 2.75Å; W87-L122 HydrophobicContact CH2-CD2 3.55Å; W87-L122 HydrophobicContact CZ3-CD2 3.85Å; W87-F125 HydrophobicContact CB-CE1 4.3Å; W87-F125 HydrophobicContact CB-CZ 3.97Å; W87-F125 HydrophobicContact CD2-CE1 4.38Å; W87-F125 AromaticContact CE3-CD1 3.6Å; W87-F125 HydrophobicContact CE3-CD1 3.6Å; W87-F125 HydrophobicContact CE3-CD2 4.38Å; W87-F125 AromaticContact CE3-CE1 3.6Å; W87-F125 HydrophobicContact CE3-CE1 3.6Å; W87-F125 HydrophobicContact CE3-CE2 4.38Å; W87-F125 HydrophobicContact CE3-CG 4.01Å; W87-F125 HydrophobicContact CE3-CZ 4.02Å; W87-F125 HydrophobicContact CZ3-CB 4.44Å; W87-F125 AromaticContact CZ3-CD1 3.87Å; W87-F125 HydrophobicContact CZ3-CD1 3.87Å; W87-F125 HydrophobicContact CZ3-CE1 4.33Å; W87-F125 HydrophobicContact CZ3-CG 4.14Å; W87-M167 HydrophobicContact CB-CG 4.47Å; W87-M167 HydrophobicContact CB-SD 3.94Å; W87-M167 HydrophobicContact CD2-CB 4.41Å; W87-M167 HydrophobicContact CD2-CG 3.64Å; W87-M167 HydrophobicContact CD2-SD 4.16Å; W87-M167 HydrophobicContact CE3-CG 4.19Å; W87-M167 HydrophobicContact CG-CB 4.28Å; W87-M167 HydrophobicContact CG-CG 3.75Å; W87-M167 HydrophobicContact CG-SD 3.87Å; W87-M167 HydrophobicContact CZ2-CG 4.24Å; W87-I170 HydrophobicContact CH2-CB 4.4Å; W87-I170 HydrophobicContact CH2-CG2 3.84Å; W87-I170 HydrophobicContact CZ2-CB 3.91Å; W87-I170 HydrophobicContact CZ2-CD1 4.19Å; W87-I170 HydrophobicContact CZ2-CG2 3.63Å; W87-L171 HydrophobicContact CE3-CD2 4.43Å; W87-L171 HydrophobicContact CH2-CD2 3.63Å; W87-L171 HydrophobicContact CH2-CG 4.14Å; W87-L171 HydrophobicContact CZ3-CD2 3.51Å; W87-L171 HydrophobicContact CZ3-CG 4.29Å |
| 88 | N | 96.6 | Very high | 95.7 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 33% | 0.326 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.3 | -40.6 | 178.8 | -70.4 | -40.2 | 0 | 0 | 0 | 112 | N84 Q85 Q91 T92 | N84-N88 VanDerWaalsContact O-CG 3.28Å; N84-N88 PolarHBondContact O-N 2.98Å; N84-N88 PolarHBondContact O-ND2 3.42Å; Q85-N88 PolarHBondContact O-N 3.35Å; N88-Q91 PolarHBondContact O-N 3.07Å; N88-T92 WeakPolarHBondContact O-CB 3.36Å; N88-T92 PolarHBondContact O-N 3.13Å; N88-T92 PolarHBondContact O-OG1 3.4Å |
| 89 | D | 96 | Very high | 95.9 | Very high | 47 Ų | 47 | 41.2 Ų | 41.2 | 25% | 0.251 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.2 | -45.8 | 176.4 | -67.5 | -28.1 | 0 | 0 | 0 | 111.1 | K25 Q85 W87 T92 A93 | K25-D89 WeakPolarHBondContact CE-OD1 3.46Å; K25-D89 WeakPolarHBondContact CE-OD2 3.27Å; K25-D89 IonicContact NZ-OD1 3.87Å; K25-D89 PolarHBondContact NZ-OD1 2.99Å; K25-D89 IonicContact NZ-OD2 3.67Å; K25-D89 PolarHBondContact NZ-OD2 3.29Å; Q85-D89 VanDerWaalsContact NE2-CG 3.32Å; Q85-D89 PolarHBondContact NE2-OD1 3.48Å; Q85-D89 PolarHBondContact NE2-OD2 2.9Å; Q85-D89 WeakPolarHBondContact O-CB 3.44Å; Q85-D89 PolarHBondContact O-N 2.83Å; W87-D89 VanDerWaalsContact C-N 3.3Å; W87-D89 PolarHBondContact O-N 3.23Å; D89-T92 PolarHBondContact O-N 3.24Å; D89-A93 WeakPolarHBondContact O-CB 3.33Å; D89-A93 PolarHBondContact O-N 3.04Å |
| 90 | H | 97.1 | Very high | 95.8 | Very high | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.6 | -176.1 | 64.7 | 0 | 0 | 0 | 112.3 | A86 W87 T92 A93 M94 G121 F125 | A86-H90 VanDerWaalsContact O-CB 3.29Å; A86-H90 WeakPolarHBondContact O-CB 3.3Å; A86-H90 PolarHBondContact O-N 3.49Å; W87-H90 PolarHBondContact O-N 3.45Å; H90-T92 VanDerWaalsContact C-N 3.32Å; H90-T92 PolarHBondContact O-N 3.4Å; H90-A93 PolarHBondContact O-N 3.1Å; H90-M94 WeakPolarHBondContact O-CB 3.48Å; H90-M94 WeakPolarHBondContact O-CG 3.42Å; H90-M94 PolarHBondContact O-N 3.07Å; H90-G121 PolarHBondContact NE2-O 3.05Å; H90-F125 HydrophobicContact CB-CD2 3.94Å; H90-F125 HydrophobicContact CB-CE2 4.05Å; H90-F125 AromaticContact CD2-CD2 3.54Å; H90-F125 AromaticContact CD2-CG 3.85Å; H90-F125 AromaticContact CG-CD2 3.7Å |
| 91 | Q | 96.3 | Very high | 95.8 | Very high | 38 Ų | 38 | 39.8 Ų | 39.8 | 18% | 0.178 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -45.3 | 175.5 | -72.3 | -169.1 | -77.5 | 0 | 0 | 111.5 | W87 N88 M94 V95 Y118 | W87-Q91 HydrophobicContact CD2-CG 3.96Å; W87-Q91 VanDerWaalsContact CE2-OE1 3.29Å; W87-Q91 HydrophobicContact CE3-CG 4.17Å; W87-Q91 HydrophobicContact CH2-CG 3.93Å; W87-Q91 HydrophobicContact CZ2-CG 3.64Å; W87-Q91 HydrophobicContact CZ3-CG 4.15Å; W87-Q91 WeakPolarHBondContact O-CG 3.32Å; W87-Q91 PolarHBondContact O-N 2.75Å; N88-Q91 PolarHBondContact O-N 3.07Å; Q91-M94 PolarHBondContact O-N 2.91Å; Q91-V95 WeakPolarHBondContact O-CG2 3.47Å; Q91-V95 PolarHBondContact O-N 3.27Å; Q91-Y118 PolarHBondContact NE2-OH 2.95Å |
| 92 | T | 95.6 | Very high | 95.8 | Very high | 85 Ų | 85 | 36.4 Ų | 36.4 | 52% | 0.521 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.8 | -44 | 179.4 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | N88 D89 H90 V95 M96 | N88-T92 WeakPolarHBondContact O-CB 3.36Å; N88-T92 PolarHBondContact O-N 3.13Å; N88-T92 PolarHBondContact O-OG1 3.4Å; D89-T92 PolarHBondContact O-N 3.24Å; H90-T92 VanDerWaalsContact C-N 3.32Å; H90-T92 PolarHBondContact O-N 3.4Å; T92-V95 PolarHBondContact O-N 3.32Å; T92-M96 HydrophobicContact CG2-CE 4.18Å; T92-M96 PolarHBondContact O-N 3.49Å |
| 93 | A | 96.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.9 | -46.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | I22 D89 H90 V95 M96 I97 | I22-A93 HydrophobicContact CG2-CB 3.97Å; D89-A93 WeakPolarHBondContact O-CB 3.33Å; D89-A93 PolarHBondContact O-N 3.04Å; H90-A93 PolarHBondContact O-N 3.1Å; A93-V95 VanDerWaalsContact C-N 3.35Å; A93-V95 PolarHBondContact O-N 2.91Å; A93-M96 PolarHBondContact O-N 3.38Å; A93-I97 WeakPolarHBondContact O-CD1 3.25Å; A93-I97 VanDerWaalsContact O-CG1 3.26Å; A93-I97 WeakPolarHBondContact O-CG1 3.36Å; A93-I97 PolarHBondContact O-N 3.1Å |
| 94 | M | 96.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68 | -30.6 | -178.1 | -71.9 | -53.6 | -48.8 | 0 | 0 | 113.5 | V59 H90 Q91 I97 R98 V117 Y118 | V59-M94 HydrophobicContact CG1-SD 4.35Å; V59-M94 HydrophobicContact CG2-SD 4.16Å; H90-M94 WeakPolarHBondContact O-CB 3.48Å; H90-M94 WeakPolarHBondContact O-CG 3.42Å; H90-M94 PolarHBondContact O-N 3.07Å; Q91-M94 PolarHBondContact O-N 2.91Å; M94-I97 HydrophobicContact CE-CG2 4.49Å; M94-I97 HydrophobicContact SD-CD1 3.92Å; M94-R98 VanDerWaalsContact O-CB 3.23Å; M94-R98 WeakPolarHBondContact O-CB 3.42Å; M94-R98 PolarHBondContact O-N 2.93Å; M94-V117 HydrophobicContact CE-CG1 3.8Å; M94-V117 WeakPolarHBondContact CE-O 3.29Å; M94-Y118 HydrophobicContact CB-CD2 3.87Å; M94-Y118 HydrophobicContact CB-CE2 4.06Å |
| 95 | V | 95.8 | Very high | 95.3 | Very high | 50 Ų | 50 | 36 Ų | 36 | 30% | 0.303 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.5 | -48.8 | 170.6 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | Q91 T92 A93 I97 R98 D99 Y118 | Q91-V95 WeakPolarHBondContact O-CG2 3.47Å; Q91-V95 PolarHBondContact O-N 3.27Å; T92-V95 PolarHBondContact O-N 3.32Å; A93-V95 VanDerWaalsContact C-N 3.35Å; A93-V95 PolarHBondContact O-N 2.91Å; V95-I97 PolarHBondContact O-N 2.88Å; V95-R98 WeakPolarHBondContact O-CB 3.4Å; V95-R98 PolarHBondContact O-N 3.31Å; V95-D99 VanDerWaalsContact O-CG 3.22Å; V95-D99 PolarHBondContact O-N 2.84Å; V95-Y118 HydrophobicContact CG2-CD2 4.29Å; V95-Y118 HydrophobicContact CG2-CE2 3.79Å |
| 96 | M | 94.7 | Very high | 95.1 | Very high | 33 Ų | 33 | 38.5 Ų | 38.5 | 16% | 0.163 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 178.4 | -71.6 | -172.5 | -82.3 | 0 | 0 | 112.2 | I22 N27 F32 T92 A93 D99 I100 | I22-M96 HydrophobicContact CD1-CB 4.33Å; I22-M96 HydrophobicContact CG2-CB 4.04Å; I22-M96 HydrophobicContact CG2-CE 3.67Å; I22-M96 HydrophobicContact CG2-SD 4.31Å; N27-M96 HydrophobicContact CB-SD 4.43Å; N27-M96 PolarHBondContact ND2-SD 2.85Å; F32-M96 HydrophobicContact CE1-CB 4.01Å; F32-M96 HydrophobicContact CE1-CG 4.32Å; F32-M96 HydrophobicContact CZ-CB 4.27Å; F32-M96 HydrophobicContact CZ-CG 4.27Å; F32-M96 HydrophobicContact CZ-SD 4.01Å; T92-M96 HydrophobicContact CG2-CE 4.18Å; T92-M96 PolarHBondContact O-N 3.49Å; A93-M96 PolarHBondContact O-N 3.38Å; M96-D99 PolarHBondContact O-N 2.97Å; M96-I100 WeakPolarHBondContact O-CG1 3.4Å; M96-I100 PolarHBondContact O-N 3.07Å; M96-I100 VanDerWaalsContact O-N 3.14Å |
| 97 | I | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.9 | -42.2 | 178.6 | -65.7 | 162.1 | 0 | 0 | 0 | 110.9 | I19 I22 L55 A93 M94 V95 D99 I100 L101 V117 | I19-I97 HydrophobicContact CG1-CG1 4.39Å; I19-I97 HydrophobicContact CG1-CG2 4.39Å; I19-I97 HydrophobicContact CG2-CD1 3.87Å; I19-I97 HydrophobicContact CG2-CG1 4.34Å; I22-I97 HydrophobicContact CD1-CG1 4.3Å; I22-I97 HydrophobicContact CG2-CD1 4.4Å; I22-I97 HydrophobicContact CG2-CG1 4.13Å; L55-I97 HydrophobicContact CD1-CG2 3.56Å; A93-I97 WeakPolarHBondContact O-CD1 3.25Å; A93-I97 VanDerWaalsContact O-CG1 3.26Å; A93-I97 WeakPolarHBondContact O-CG1 3.36Å; A93-I97 PolarHBondContact O-N 3.1Å; M94-I97 HydrophobicContact CE-CG2 4.49Å; M94-I97 HydrophobicContact SD-CD1 3.92Å; V95-I97 PolarHBondContact O-N 2.88Å; I97-D99 VanDerWaalsContact C-N 3.3Å; I97-D99 PolarHBondContact O-N 3.36Å; I97-I100 PolarHBondContact O-N 3.24Å; I97-L101 HydrophobicContact CG2-CD1 3.83Å; I97-L101 HydrophobicContact CG2-CG 4.45Å; I97-L101 WeakPolarHBondContact O-CB 3.19Å; I97-L101 WeakPolarHBondContact O-CG 3.06Å; I97-L101 PolarHBondContact O-N 2.85Å; I97-V117 HydrophobicContact CG2-CG1 4.01Å |
| 98 | R | 95.6 | Very high | 94.7 | Very high | 90 Ų | 90 | 40.5 Ų | 40.5 | 34% | 0.34 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.8 | -43.4 | 173.6 | 179 | -152.6 | 65.4 | -163.6 | -1.2 | 111.3 | M94 V95 I100 L101 M102 V117 | M94-R98 VanDerWaalsContact O-CB 3.23Å; M94-R98 WeakPolarHBondContact O-CB 3.42Å; M94-R98 PolarHBondContact O-N 2.93Å; V95-R98 WeakPolarHBondContact O-CB 3.4Å; V95-R98 PolarHBondContact O-N 3.31Å; R98-I100 VanDerWaalsContact C-N 3.35Å; R98-I100 PolarHBondContact O-N 3.05Å; R98-L101 CarbonylContact O-C 3.59Å; R98-L101 VanDerWaalsContact O-C 3.29Å; R98-L101 PolarHBondContact O-N 3.27Å; R98-L101 VanDerWaalsContact O-N 3.1Å; R98-M102 WeakPolarHBondContact O-CA 3.31Å; R98-M102 PolarHBondContact O-N 2.67Å; R98-V117 HydrophobicContact CB-CB 4.39Å; R98-V117 HydrophobicContact CB-CG1 4.04Å |
| 99 | D | 93.9 | Very high | 94.5 | Very high | 71 Ų | 71 | 38.1 Ų | 38.1 | 38% | 0.38 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.4 | -39.1 | -178.6 | -66.4 | -14.4 | 0 | 0 | 0 | 111.8 | V95 M96 I97 L101 | V95-D99 VanDerWaalsContact O-CG 3.22Å; V95-D99 PolarHBondContact O-N 2.84Å; M96-D99 PolarHBondContact O-N 2.97Å; I97-D99 VanDerWaalsContact C-N 3.3Å; I97-D99 PolarHBondContact O-N 3.36Å; D99-L101 VanDerWaalsContact C-N 3.3Å; D99-L101 PolarHBondContact O-N 2.95Å |
| 100 | I | 94.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 171.7 | -67.9 | 165.8 | 0 | 0 | 0 | 111.3 | L15 I22 F32 L35 Y36 M96 I97 R98 | L15-I100 HydrophobicContact CD2-CG2 4.25Å; I22-I100 HydrophobicContact CD1-CD1 3.41Å; I22-I100 VanDerWaalsContact CD1-CD1 3.41Å; F32-I100 HydrophobicContact CD1-CD1 3.87Å; F32-I100 HydrophobicContact CD1-CG1 3.56Å; F32-I100 HydrophobicContact CE1-CD1 3.74Å; F32-I100 HydrophobicContact CE1-CG1 3.87Å; L35-I100 HydrophobicContact CB-CD1 4.4Å; L35-I100 HydrophobicContact CB-CG1 4.27Å; L35-I100 HydrophobicContact CB-CG2 3.76Å; L35-I100 HydrophobicContact CD1-CD1 3.9Å; Y36-I100 WeakPolarHBondContact CD2-O 3.39Å; M96-I100 WeakPolarHBondContact O-CG1 3.4Å; M96-I100 PolarHBondContact O-N 3.07Å; M96-I100 VanDerWaalsContact O-N 3.14Å; I97-I100 PolarHBondContact O-N 3.24Å; R98-I100 VanDerWaalsContact C-N 3.35Å; R98-I100 PolarHBondContact O-N 3.05Å |
| 101 | L | 95.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 16.9 | -173.7 | -58.9 | -179.3 | 0 | 0 | 0 | 113.4 | A39 L51 L55 I97 R98 D99 Y103 M104 D105 V117 | A39-L101 HydrophobicContact CB-CD2 3.63Å; L51-L101 HydrophobicContact CD1-CD2 4.16Å; L51-L101 HydrophobicContact CD2-CD2 4.08Å; L51-L101 HydrophobicContact CG-CD2 4.34Å; L55-L101 HydrophobicContact CD1-CD1 4.02Å; L55-L101 HydrophobicContact CD2-CD1 3.7Å; L55-L101 HydrophobicContact CG-CD1 4.27Å; I97-L101 HydrophobicContact CG2-CD1 3.83Å; I97-L101 HydrophobicContact CG2-CG 4.45Å; I97-L101 WeakPolarHBondContact O-CB 3.19Å; I97-L101 WeakPolarHBondContact O-CG 3.06Å; I97-L101 PolarHBondContact O-N 2.85Å; R98-L101 CarbonylContact O-C 3.59Å; R98-L101 VanDerWaalsContact O-C 3.29Å; R98-L101 PolarHBondContact O-N 3.27Å; R98-L101 VanDerWaalsContact O-N 3.1Å; D99-L101 VanDerWaalsContact C-N 3.3Å; D99-L101 PolarHBondContact O-N 2.95Å; L101-Y103 PolarHBondContact O-N 3.41Å; L101-M104 HydrophobicContact CB-CB 4.44Å; L101-M104 HydrophobicContact CB-CE 4.19Å; L101-M104 HydrophobicContact CD1-CE 3.94Å; L101-M104 WeakPolarHBondContact O-CA 3.22Å; L101-M104 VanDerWaalsContact O-CB 3.24Å; L101-M104 WeakPolarHBondContact O-CB 3.25Å; L101-M104 PolarHBondContact O-N 3.01Å; L101-D105 PolarHBondContact O-N 3.25Å; L101-V117 HydrophobicContact CB-CG2 4.02Å; L101-V117 HydrophobicContact CD1-CG1 4.44Å; L101-V117 HydrophobicContact CD1-CG2 4.22Å |
| 102 | M | 93.4 | Very high | 93.7 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 32% | 0.315 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.7 | -27.7 | -171.2 | 69.1 | 179.5 | -59.2 | 0 | 0 | 113.8 | Y36 R98 R106 | Y36-M102 HydrophobicContact CD2-CG 3.68Å; Y36-M102 HydrophobicContact CD2-SD 4.09Å; Y36-M102 HydrophobicContact CE2-CG 3.18Å; Y36-M102 HydrophobicContact CE2-SD 3.67Å; R98-M102 WeakPolarHBondContact O-CA 3.31Å; R98-M102 PolarHBondContact O-N 2.67Å; M102-R106 VanDerWaalsContact CE-NH2 3.33Å; M102-R106 WeakPolarHBondContact O-CG 3.38Å; M102-R106 PolarHBondContact O-N 2.83Å |
| 103 | Y | 93.4 | Very high | 93.5 | Very high | 49 Ų | 49 | 55 Ų | 55 | 19% | 0.192 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.9 | -30.9 | 176.5 | -169.8 | -107.7 | 0 | 0 | 0 | 112.4 | Y40 V43 L101 R106 V107 | Y40-Y103 AromaticContact CD2-CD1 3.47Å; Y40-Y103 HydrophobicContact CD2-CD1 3.47Å; Y40-Y103 VanDerWaalsContact CD2-CD1 3.47Å; Y40-Y103 AromaticContact CD2-CD2 3.61Å; Y40-Y103 HydrophobicContact CD2-CD2 3.61Å; Y40-Y103 AromaticContact CD2-CE1 3.62Å; Y40-Y103 HydrophobicContact CD2-CE1 3.62Å; Y40-Y103 AromaticContact CD2-CE2 3.77Å; Y40-Y103 HydrophobicContact CD2-CE2 3.77Å; Y40-Y103 AromaticContact CD2-CG 3.46Å; Y40-Y103 HydrophobicContact CD2-CG 3.46Å; Y40-Y103 VanDerWaalsContact CD2-CG 3.46Å; Y40-Y103 AromaticContact CD2-CZ 3.77Å; Y40-Y103 HydrophobicContact CE2-CD1 4.02Å; Y40-Y103 AromaticContact CE2-CD2 3.8Å; Y40-Y103 HydrophobicContact CE2-CD2 3.8Å; Y40-Y103 AromaticContact CE2-CE1 3.69Å; Y40-Y103 HydrophobicContact CE2-CE1 3.69Å; Y40-Y103 AromaticContact CE2-CE2 3.46Å; Y40-Y103 HydrophobicContact CE2-CE2 3.46Å; Y40-Y103 VanDerWaalsContact CE2-CE2 3.46Å; Y40-Y103 HydrophobicContact CE2-CG 4.07Å; Y40-Y103 AromaticContact CE2-CZ 3.39Å; Y40-Y103 HydrophobicContact CG-CD1 4.19Å; Y40-Y103 HydrophobicContact CG-CE1 4.43Å; Y40-Y103 HydrophobicContact CG-CG 4.42Å; V43-Y103 HydrophobicContact CB-CD1 3.79Å; V43-Y103 HydrophobicContact CB-CE1 4.06Å; V43-Y103 HydrophobicContact CG1-CD1 3.74Å; V43-Y103 HydrophobicContact CG1-CE1 3.77Å; L101-Y103 PolarHBondContact O-N 3.41Å; Y103-R106 PolarHBondContact O-N 3.44Å; Y103-V107 HydrophobicContact CD1-CG2 4.3Å; Y103-V107 HydrophobicContact CD2-CG2 4.15Å; Y103-V107 HydrophobicContact CE1-CB 4.47Å; Y103-V107 HydrophobicContact CE1-CG2 3.87Å; Y103-V107 HydrophobicContact CE2-CG2 3.68Å; Y103-V107 HydrophobicContact CG-CG2 4.43Å; Y103-V107 PolarHBondContact O-N 3.38Å |
| 104 | M | 93.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 172.8 | -170.7 | 177.3 | 68 | 0 | 0 | 110.7 | V43 L51 Y52 L55 L101 R106 V107 Y108 V109 V117 | V43-M104 HydrophobicContact CG2-CB 3.95Å; V43-M104 HydrophobicContact CG2-CG 4.19Å; L51-M104 HydrophobicContact CB-SD 4.14Å; L51-M104 HydrophobicContact CD2-SD 3.86Å; L51-M104 HydrophobicContact CG-SD 3.73Å; Y52-M104 HydrophobicContact CD2-CE 3.85Å; Y52-M104 HydrophobicContact CD2-SD 4.15Å; L55-M104 HydrophobicContact CD2-CE 4Å; L101-M104 HydrophobicContact CB-CB 4.44Å; L101-M104 HydrophobicContact CB-CE 4.19Å; L101-M104 HydrophobicContact CD1-CE 3.94Å; L101-M104 WeakPolarHBondContact O-CA 3.22Å; L101-M104 VanDerWaalsContact O-CB 3.24Å; L101-M104 WeakPolarHBondContact O-CB 3.25Å; L101-M104 PolarHBondContact O-N 3.01Å; M104-R106 VanDerWaalsContact C-N 3.3Å; M104-R106 PolarHBondContact O-N 2.91Å; M104-V107 PolarHBondContact O-N 3.13Å; M104-Y108 HydrophobicContact CG-CD1 4.22Å; M104-Y108 HydrophobicContact CG-CG 4.4Å; M104-Y108 PolarHBondContact O-N 2.89Å; M104-V109 PolarHBondContact O-N 3.33Å; M104-V117 HydrophobicContact CE-CG2 3.18Å |
| 105 | D | 92.8 | Very high | 93.2 | Very high | 27 Ų | 27 | 61.1 Ų | 61.1 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -60.5 | -38.6 | 175.1 | -82.9 | -18.1 | 0 | 0 | 0 | 112.3 | L101 N116 V117 | L101-D105 PolarHBondContact O-N 3.25Å; D105-N116 WeakPolarHBondContact OD1-CA 3.27Å; D105-N116 WeakPolarHBondContact OD1-CB 3.46Å; D105-V117 WeakPolarHBondContact OD1-CG2 3.32Å; D105-V117 PolarHBondContact OD1-N 2.87Å |
| 106 | R | 91.5 | Very high | 93.1 | Very high | 149 Ų | 149 | 61.2 Ų | 61.2 | 56% | 0.562 | 29% | 0.293 | S | S | * | . | I | π-helix | trans | -74.7 | -33.5 | -179.2 | -72.1 | 177.5 | -177.7 | -173.6 | 0.7 | 113.9 | M102 Y103 M104 Q110 | M102-R106 VanDerWaalsContact CE-NH2 3.33Å; M102-R106 WeakPolarHBondContact O-CG 3.38Å; M102-R106 PolarHBondContact O-N 2.83Å; Y103-R106 PolarHBondContact O-N 3.44Å; M104-R106 VanDerWaalsContact C-N 3.3Å; M104-R106 PolarHBondContact O-N 2.91Å; R106-Q110 VanDerWaalsContact O-CD 3.27Å; R106-Q110 PolarHBondContact O-OE1 3.39Å; R106-Q110 VanDerWaalsContact O-OE1 3.11Å |
| 107 | V | 92.6 | Very high | 93.1 | Very high | 33 Ų | 33 | 59.6 Ų | 59.6 | 20% | 0.2 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -111.3 | -65.1 | -170.7 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | V43 Y103 M104 Q111 | V43-V107 HydrophobicContact CG1-CB 4.05Å; V43-V107 HydrophobicContact CG1-CG1 4.23Å; Y103-V107 HydrophobicContact CD1-CG2 4.3Å; Y103-V107 HydrophobicContact CD2-CG2 4.15Å; Y103-V107 HydrophobicContact CE1-CB 4.47Å; Y103-V107 HydrophobicContact CE1-CG2 3.87Å; Y103-V107 HydrophobicContact CE2-CG2 3.68Å; Y103-V107 HydrophobicContact CG-CG2 4.43Å; Y103-V107 PolarHBondContact O-N 3.38Å; M104-V107 PolarHBondContact O-N 3.13Å; V107-Q111 VanDerWaalsContact O-CB 3.3Å; V107-Q111 WeakPolarHBondContact O-CB 3.07Å; V107-Q111 WeakPolarHBondContact O-CG 3.27Å; V107-Q111 PolarHBondContact O-N 2.88Å |
| 108 | Y | 92.4 | Very high | 93.1 | Very high | 31 Ų | 31 | 61.9 Ų | 61.9 | 12% | 0.122 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -68.1 | -47.3 | -172.1 | 177.7 | -95 | 0 | 0 | 0 | 112 | G48 E49 Y52 M104 Q110 Q111 N112 V114 | G48-Y108 VanDerWaalsContact C-CE2 3.48Å; E49-Y108 VanDerWaalsContact CA-CZ 3.43Å; E49-Y108 VanDerWaalsContact CA-OH 3.25Å; E49-Y108 WeakPolarHBondContact CA-OH 3.38Å; E49-Y108 HydrophobicContact CB-CE2 3.91Å; E49-Y108 WeakPolarHBondContact CB-OH 3.46Å; Y52-Y108 HydrophobicContact CD1-CE1 4.46Å; Y52-Y108 HydrophobicContact CD2-CD1 4.25Å; Y52-Y108 HydrophobicContact CD2-CE1 4.13Å; Y52-Y108 HydrophobicContact CG-CD1 4.34Å; Y52-Y108 AromaticContact CG-CE1 3.83Å; Y52-Y108 HydrophobicContact CG-CE1 3.83Å; M104-Y108 HydrophobicContact CG-CD1 4.22Å; M104-Y108 HydrophobicContact CG-CG 4.4Å; M104-Y108 PolarHBondContact O-N 2.89Å; Y108-Q110 PolarHBondContact O-N 2.99Å; Y108-Q111 PolarHBondContact O-N 3.21Å; Y108-N112 WeakPolarHBondContact CD2-ND2 3.31Å; Y108-N112 WeakPolarHBondContact CE2-ND2 3.39Å; Y108-N112 WeakPolarHBondContact O-CB 3.46Å; Y108-N112 PolarHBondContact O-N 2.96Å; Y108-N112 PolarHBondContact O-ND2 3.32Å; Y108-V114 HydrophobicContact CD1-CG2 4.47Å; Y108-V114 HydrophobicContact CE1-CG2 4.16Å |
| 109 | V | 91.9 | Very high | 93.1 | Very high | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -61.5 | -45.8 | -177.7 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | Y52 M104 N112 N113 V114 N116 | Y52-V109 HydrophobicContact CD2-CG2 4.29Å; Y52-V109 HydrophobicContact CE2-CG2 4.09Å; M104-V109 PolarHBondContact O-N 3.33Å; V109-N112 PolarHBondContact O-N 3.49Å; V109-N113 WeakPolarHBondContact O-CA 3.14Å; V109-N113 PolarHBondContact O-N 2.9Å; V109-V114 HydrophobicContact CB-CG2 4.25Å; V109-V114 HydrophobicContact CG1-CG2 4.26Å; V109-V114 WeakPolarHBondContact CG1-O 3.45Å; V109-V114 HydrophobicContact CG2-CG2 4.15Å; V109-V114 PolarHBondContact O-N 2.99Å; V109-N116 HydrophobicContact CG1-CB 4.28Å |
| 110 | Q | 89.6 | Confident | 93.2 | Very high | 149 Ų | 149 | 56 Ų | 56 | 70% | 0.696 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.7 | -42.4 | 176.9 | -67.8 | -172.3 | -2.9 | 0 | 0 | 112.9 | R106 Y108 N112 | R106-Q110 VanDerWaalsContact O-CD 3.27Å; R106-Q110 PolarHBondContact O-OE1 3.39Å; R106-Q110 VanDerWaalsContact O-OE1 3.11Å; Y108-Q110 PolarHBondContact O-N 2.99Å; Q110-N112 VanDerWaalsContact C-N 3.33Å; Q110-N112 PolarHBondContact O-N 3.42Å |
| 111 | Q | 91.7 | Very high | 93.3 | Very high | 148 Ų | 148 | 55.9 Ų | 55.9 | 69% | 0.692 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -68.4 | -31.7 | -178.9 | -75.8 | 173.2 | -1.2 | 0 | 0 | 113.2 | V107 Y108 | V107-Q111 VanDerWaalsContact O-CB 3.3Å; V107-Q111 WeakPolarHBondContact O-CB 3.07Å; V107-Q111 WeakPolarHBondContact O-CG 3.27Å; V107-Q111 PolarHBondContact O-N 2.88Å; Y108-Q111 PolarHBondContact O-N 3.21Å |
| 112 | N | 91.7 | Very high | 93.4 | Very high | 81 Ų | 81 | 56 Ų | 56 | 43% | 0.433 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -104.2 | 0.7 | -175.1 | -64.2 | -85.4 | 0 | 0 | 0 | 113.3 | Y108 V109 Q110 V114 | Y108-N112 WeakPolarHBondContact CD2-ND2 3.31Å; Y108-N112 WeakPolarHBondContact CE2-ND2 3.39Å; Y108-N112 WeakPolarHBondContact O-CB 3.46Å; Y108-N112 PolarHBondContact O-N 2.96Å; Y108-N112 PolarHBondContact O-ND2 3.32Å; V109-N112 PolarHBondContact O-N 3.49Å; Q110-N112 VanDerWaalsContact C-N 3.33Å; Q110-N112 PolarHBondContact O-N 3.42Å; N112-V114 VanDerWaalsContact C-N 3.26Å; N112-V114 HydrophobicContact CB-CG1 4.34Å; N112-V114 PolarHBondContact O-N 3.32Å |
| 113 | N | 90.5 | Very high | 93.5 | Very high | 156 Ų | 156 | 54.5 Ų | 54.5 | 83% | 0.834 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 44.9 | -179.8 | -164.5 | 55.8 | 0 | 0 | 0 | 112.9 | V109 | V109-N113 WeakPolarHBondContact O-CA 3.14Å; V109-N113 PolarHBondContact O-N 2.9Å |
| 114 | V | 93.1 | Very high | 93.7 | Very high | 54 Ų | 54 | 52.5 Ų | 52.5 | 33% | 0.327 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -103.7 | 170.7 | 174.6 | -64 | 0 | 0 | 0 | 0 | 110.2 | Y52 Y108 V109 N112 | Y52-V114 HydrophobicContact CD2-CG2 4.3Å; Y52-V114 HydrophobicContact CE1-CB 4.33Å; Y52-V114 HydrophobicContact CE1-CG2 4.26Å; Y52-V114 HydrophobicContact CE2-CB 4.49Å; Y52-V114 HydrophobicContact CE2-CG2 3.8Å; Y108-V114 HydrophobicContact CD1-CG2 4.47Å; Y108-V114 HydrophobicContact CE1-CG2 4.16Å; V109-V114 HydrophobicContact CB-CG2 4.25Å; V109-V114 HydrophobicContact CG1-CG2 4.26Å; V109-V114 WeakPolarHBondContact CG1-O 3.45Å; V109-V114 HydrophobicContact CG2-CG2 4.15Å; V109-V114 PolarHBondContact O-N 2.99Å; N112-V114 VanDerWaalsContact C-N 3.26Å; N112-V114 HydrophobicContact CB-CG1 4.34Å; N112-V114 PolarHBondContact O-N 3.32Å |
| 115 | E | 93.5 | Very high | 93.9 | Very high | 79 Ų | 79 | 52.4 Ų | 52.4 | 37% | 0.369 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 143.2 | 178.3 | -69.5 | -65.3 | 161.8 | 0 | 0 | 111.7 | Y52 N119 I123 | Y52-E115 WeakPolarHBondContact CE2-O 3.34Å; Y52-E115 PolarHBondContact OH-N 3.27Å; Y52-E115 PolarHBondContact OH-O 2.65Å; E115-N119 HydrophobicContact CB-CB 4.27Å; E115-N119 WeakPolarHBondContact OE2-CB 3.43Å; E115-N119 PolarHBondContact OE2-ND2 3.24Å; E115-N119 VanDerWaalsContact OE2-ND2 3.14Å; E115-I123 HydrophobicContact CB-CD1 4.38Å; E115-I123 HydrophobicContact CG-CD1 3.71Å |
| 116 | N | 94.9 | Very high | 94.1 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 160.9 | 172.8 | 71.7 | 60.2 | 0 | 0 | 0 | 111.3 | D105 V109 Y118 N119 L120 | D105-N116 WeakPolarHBondContact OD1-CA 3.27Å; D105-N116 WeakPolarHBondContact OD1-CB 3.46Å; V109-N116 HydrophobicContact CG1-CB 4.28Å; N116-Y118 VanDerWaalsContact C-N 3.27Å; N116-Y118 PolarHBondContact O-N 2.9Å; N116-Y118 PolarHBondContact OD1-N 3.44Å; N116-Y118 VanDerWaalsContact OD1-N 3.09Å; N116-N119 VanDerWaalsContact ND2-CG 3.31Å; N116-N119 PolarHBondContact ND2-ND2 3.43Å; N116-N119 VanDerWaalsContact ND2-ND2 3.17Å; N116-N119 PolarHBondContact O-N 2.69Å; N116-N119 PolarHBondContact OD1-N 3.4Å; N116-L120 WeakPolarHBondContact O-CB 3.3Å; N116-L120 PolarHBondContact O-N 3.45Å |
| 117 | V | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53.9 | -43.6 | -174.8 | 167.4 | 0 | 0 | 0 | 0 | 112.5 | L55 M94 I97 R98 L101 M104 D105 G121 | L55-V117 HydrophobicContact CD2-CB 4.35Å; L55-V117 HydrophobicContact CD2-CG1 3.88Å; L55-V117 HydrophobicContact CD2-CG2 3.86Å; M94-V117 HydrophobicContact CE-CG1 3.8Å; M94-V117 WeakPolarHBondContact CE-O 3.29Å; I97-V117 HydrophobicContact CG2-CG1 4.01Å; R98-V117 HydrophobicContact CB-CB 4.39Å; R98-V117 HydrophobicContact CB-CG1 4.04Å; L101-V117 HydrophobicContact CB-CG2 4.02Å; L101-V117 HydrophobicContact CD1-CG1 4.44Å; L101-V117 HydrophobicContact CD1-CG2 4.22Å; M104-V117 HydrophobicContact CE-CG2 3.18Å; D105-V117 WeakPolarHBondContact OD1-CG2 3.32Å; D105-V117 PolarHBondContact OD1-N 2.87Å; V117-G121 PolarHBondContact O-N 3.44Å; V117-G121 VanDerWaalsContact O-N 3.13Å |
| 118 | Y | 95.5 | Very high | 94.6 | Very high | 47 Ų | 47 | 50.5 Ų | 50.5 | 18% | 0.184 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.4 | -50.6 | -178.5 | -171.3 | -100.5 | 0 | 0 | 0 | 111.2 | Q91 M94 V95 N116 L120 G121 L122 | Q91-Y118 PolarHBondContact NE2-OH 2.95Å; M94-Y118 HydrophobicContact CB-CD2 3.87Å; M94-Y118 HydrophobicContact CB-CE2 4.06Å; V95-Y118 HydrophobicContact CG2-CD2 4.29Å; V95-Y118 HydrophobicContact CG2-CE2 3.79Å; N116-Y118 VanDerWaalsContact C-N 3.27Å; N116-Y118 PolarHBondContact O-N 2.9Å; N116-Y118 PolarHBondContact OD1-N 3.44Å; N116-Y118 VanDerWaalsContact OD1-N 3.09Å; Y118-L120 VanDerWaalsContact C-N 3.33Å; Y118-L120 PolarHBondContact O-N 2.96Å; Y118-G121 WeakPolarHBondContact O-CA 3.35Å; Y118-G121 PolarHBondContact O-N 2.66Å; Y118-L122 HydrophobicContact CD1-CD1 4.11Å; Y118-L122 HydrophobicContact CD1-CG 4.24Å; Y118-L122 HydrophobicContact CE1-CD1 3.75Å; Y118-L122 HydrophobicContact CE1-CD2 4.06Å; Y118-L122 HydrophobicContact CE1-CG 4.07Å; Y118-L122 WeakPolarHBondContact O-CG 3.49Å; Y118-L122 PolarHBondContact O-N 2.92Å |
| 119 | N | 95.3 | Very high | 94.8 | Very high | 30 Ų | 30 | 49 Ų | 49 | 16% | 0.16 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -41.3 | 177.7 | -74.2 | 6.3 | 0 | 0 | 0 | 112.2 | E115 N116 G121 L122 I123 L173 | E115-N119 HydrophobicContact CB-CB 4.27Å; E115-N119 WeakPolarHBondContact OE2-CB 3.43Å; E115-N119 PolarHBondContact OE2-ND2 3.24Å; E115-N119 VanDerWaalsContact OE2-ND2 3.14Å; N116-N119 VanDerWaalsContact ND2-CG 3.31Å; N116-N119 PolarHBondContact ND2-ND2 3.43Å; N116-N119 VanDerWaalsContact ND2-ND2 3.17Å; N116-N119 PolarHBondContact O-N 2.69Å; N116-N119 PolarHBondContact OD1-N 3.4Å; N119-G121 VanDerWaalsContact C-N 3.29Å; N119-G121 PolarHBondContact O-N 2.81Å; N119-L122 WeakPolarHBondContact O-CB 3.26Å; N119-L122 PolarHBondContact O-N 3.47Å; N119-L122 VanDerWaalsContact O-N 3.1Å; N119-I123 WeakPolarHBondContact O-CG1 3.46Å; N119-I123 PolarHBondContact O-N 3.07Å; N119-L173 HydrophobicContact CB-CD2 4.05Å |
| 120 | L | 96 | Very high | 95 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.1 | -46.2 | 173.7 | 175.6 | 66.1 | 0 | 0 | 0 | 110.5 | Y52 L55 R56 N116 Y118 L122 I123 I124 | Y52-L120 HydrophobicContact CE1-CD2 4.11Å; Y52-L120 HydrophobicContact CE2-CD2 4.05Å; L55-L120 HydrophobicContact CD2-CD2 4.16Å; R56-L120 HydrophobicContact CB-CD2 4.16Å; R56-L120 HydrophobicContact CG-CD1 4.28Å; N116-L120 WeakPolarHBondContact O-CB 3.3Å; N116-L120 PolarHBondContact O-N 3.45Å; Y118-L120 VanDerWaalsContact C-N 3.33Å; Y118-L120 PolarHBondContact O-N 2.96Å; L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 3.32Å; L120-I123 PolarHBondContact O-N 2.96Å; L120-I124 HydrophobicContact CD1-CD1 4.08Å; L120-I124 HydrophobicContact CD1-CG1 4.3Å; L120-I124 HydrophobicContact CG-CD1 3.91Å; L120-I124 VanDerWaalsContact O-CG1 3.23Å; L120-I124 WeakPolarHBondContact O-CG1 3.4Å; L120-I124 PolarHBondContact O-N 3.26Å |
| 121 | G | 96.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | H90 V117 Y118 N119 F125 | H90-G121 PolarHBondContact NE2-O 3.05Å; V117-G121 PolarHBondContact O-N 3.44Å; V117-G121 VanDerWaalsContact O-N 3.13Å; Y118-G121 WeakPolarHBondContact O-CA 3.35Å; Y118-G121 PolarHBondContact O-N 2.66Å; N119-G121 VanDerWaalsContact C-N 3.29Å; N119-G121 PolarHBondContact O-N 2.81Å; G121-F125 PolarHBondContact O-N 3.35Å |
| 122 | L | 96.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.1 | -43.5 | 176.8 | -56.6 | -166.5 | 0 | 0 | 0 | 112 | W87 Y118 N119 L120 I124 F125 R126 I170 L171 L173 | W87-L122 HydrophobicContact CH2-CD2 3.55Å; W87-L122 HydrophobicContact CZ3-CD2 3.85Å; Y118-L122 HydrophobicContact CD1-CD1 4.11Å; Y118-L122 HydrophobicContact CD1-CG 4.24Å; Y118-L122 HydrophobicContact CE1-CD1 3.75Å; Y118-L122 HydrophobicContact CE1-CD2 4.06Å; Y118-L122 HydrophobicContact CE1-CG 4.07Å; Y118-L122 WeakPolarHBondContact O-CG 3.49Å; Y118-L122 PolarHBondContact O-N 2.92Å; N119-L122 WeakPolarHBondContact O-CB 3.26Å; N119-L122 PolarHBondContact O-N 3.47Å; N119-L122 VanDerWaalsContact O-N 3.1Å; L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 3.32Å; L122-I124 PolarHBondContact O-N 3.4Å; L122-F125 PolarHBondContact O-N 2.91Å; L122-R126 WeakPolarHBondContact O-CB 3.38Å; L122-R126 PolarHBondContact O-N 2.97Å; L122-I170 HydrophobicContact CD1-CG2 3.74Å; L122-L171 HydrophobicContact CB-CD2 4.36Å; L122-L171 WeakPolarHBondContact O-CD2 3.3Å; L122-L173 HydrophobicContact CB-CD2 3.93Å; L122-L173 HydrophobicContact CD1-CD2 3.76Å; L122-L173 HydrophobicContact CG-CD2 4.36Å |
| 123 | I | 96.3 | Very high | 95.4 | Very high | 32 Ų | 32 | 40.7 Ų | 40.7 | 16% | 0.164 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -45.9 | 176.7 | -71.4 | 164.8 | 0 | 0 | 0 | 110.7 | E115 N119 L120 F125 R126 D127 L173 | E115-I123 HydrophobicContact CB-CD1 4.38Å; E115-I123 HydrophobicContact CG-CD1 3.71Å; N119-I123 WeakPolarHBondContact O-CG1 3.46Å; N119-I123 PolarHBondContact O-N 3.07Å; L120-I123 PolarHBondContact O-N 2.96Å; I123-F125 VanDerWaalsContact C-N 3.34Å; I123-F125 PolarHBondContact O-N 3.44Å; I123-R126 WeakPolarHBondContact O-CB 3.4Å; I123-R126 PolarHBondContact O-N 2.99Å; I123-D127 WeakPolarHBondContact O-CB 3.29Å; I123-D127 PolarHBondContact O-N 3.27Å; I123-L173 HydrophobicContact CD1-CD1 3.88Å; I123-L173 HydrophobicContact CG1-CD1 3.88Å |
| 124 | I | 97.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | 179.2 | -57.5 | 162.1 | 0 | 0 | 0 | 110 | R56 V59 T60 L63 L120 L122 D127 Q128 | R56-I124 HydrophobicContact CG-CD1 4.03Å; V59-I124 HydrophobicContact CB-CD1 4.03Å; V59-I124 HydrophobicContact CG1-CB 4.44Å; V59-I124 HydrophobicContact CG1-CD1 3.82Å; V59-I124 HydrophobicContact CG1-CG2 4.38Å; T60-I124 WeakPolarHBondContact OG1-CG2 3.46Å; L63-I124 HydrophobicContact CD1-CB 4.02Å; L63-I124 HydrophobicContact CD1-CG2 3.53Å; L120-I124 HydrophobicContact CD1-CD1 4.08Å; L120-I124 HydrophobicContact CD1-CG1 4.3Å; L120-I124 HydrophobicContact CG-CD1 3.91Å; L120-I124 VanDerWaalsContact O-CG1 3.23Å; L120-I124 WeakPolarHBondContact O-CG1 3.4Å; L120-I124 PolarHBondContact O-N 3.26Å; L122-I124 PolarHBondContact O-N 3.4Å; I124-D127 PolarHBondContact O-N 2.67Å; I124-Q128 HydrophobicContact CG2-CB 4.35Å; I124-Q128 HydrophobicContact CG2-CG 3.75Å; I124-Q128 WeakPolarHBondContact O-CA 3.5Å; I124-Q128 WeakPolarHBondContact O-CB 3.28Å; I124-Q128 WeakPolarHBondContact O-CG 3.38Å; I124-Q128 PolarHBondContact O-N 2.82Å |
| 125 | F | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 175.8 | -168.1 | -86.7 | 0 | 0 | 0 | 112.2 | L63 V67 L83 W87 H90 G121 L122 I123 V129 V130 M167 L171 | L63-F125 HydrophobicContact CD1-CB 4.28Å; L63-F125 HydrophobicContact CD2-CD2 3.8Å; L63-F125 HydrophobicContact CD2-CE2 4.36Å; V67-F125 HydrophobicContact CG1-CE2 4.19Å; L83-F125 HydrophobicContact CD1-CE1 4.49Å; L83-F125 HydrophobicContact CD1-CZ 4.27Å; W87-F125 HydrophobicContact CB-CE1 4.3Å; W87-F125 HydrophobicContact CB-CZ 3.97Å; W87-F125 HydrophobicContact CD2-CE1 4.38Å; W87-F125 AromaticContact CE3-CD1 3.6Å; W87-F125 HydrophobicContact CE3-CD1 3.6Å; W87-F125 HydrophobicContact CE3-CD2 4.38Å; W87-F125 AromaticContact CE3-CE1 3.6Å; W87-F125 HydrophobicContact CE3-CE1 3.6Å; W87-F125 HydrophobicContact CE3-CE2 4.38Å; W87-F125 HydrophobicContact CE3-CG 4.01Å; W87-F125 HydrophobicContact CE3-CZ 4.02Å; W87-F125 HydrophobicContact CZ3-CB 4.44Å; W87-F125 AromaticContact CZ3-CD1 3.87Å; W87-F125 HydrophobicContact CZ3-CD1 3.87Å; W87-F125 HydrophobicContact CZ3-CE1 4.33Å; W87-F125 HydrophobicContact CZ3-CG 4.14Å; H90-F125 HydrophobicContact CB-CD2 3.94Å; H90-F125 HydrophobicContact CB-CE2 4.05Å; H90-F125 AromaticContact CD2-CD2 3.54Å; H90-F125 AromaticContact CD2-CG 3.85Å; H90-F125 AromaticContact CG-CD2 3.7Å; G121-F125 PolarHBondContact O-N 3.35Å; L122-F125 PolarHBondContact O-N 2.91Å; I123-F125 VanDerWaalsContact C-N 3.34Å; I123-F125 PolarHBondContact O-N 3.44Å; F125-V129 HydrophobicContact CD1-CB 4.46Å; F125-V129 HydrophobicContact CD2-CB 4.43Å; F125-V129 HydrophobicContact CD2-CG2 4.11Å; F125-V129 HydrophobicContact CE1-CB 4.41Å; F125-V129 HydrophobicContact CE1-CG1 4.47Å; F125-V129 HydrophobicContact CE2-CB 4.37Å; F125-V129 HydrophobicContact CE2-CG1 4.39Å; F125-V129 HydrophobicContact CE2-CG2 4.23Å; F125-V129 HydrophobicContact CG-CB 4.48Å; F125-V129 HydrophobicContact CG-CG2 4.48Å; F125-V129 HydrophobicContact CZ-CB 4.36Å; F125-V129 HydrophobicContact CZ-CG1 4.15Å; F125-V129 WeakPolarHBondContact O-CA 3.48Å; F125-V129 VanDerWaalsContact O-CB 3.29Å; F125-V129 WeakPolarHBondContact O-CB 3.44Å; F125-V129 PolarHBondContact O-N 3.43Å; F125-V130 HydrophobicContact CD1-CG2 3.85Å; F125-V130 HydrophobicContact CE1-CG2 3.59Å; F125-V130 PolarHBondContact O-N 3.07Å; F125-M167 HydrophobicContact CE1-SD 4.04Å; F125-L171 HydrophobicContact CB-CD2 4.49Å; F125-L171 HydrophobicContact CD1-CD1 4.4Å; F125-L171 HydrophobicContact CD1-CD2 4.12Å |
| 126 | R | 96.9 | Very high | 95.8 | Very high | 48 Ų | 48 | 34.2 Ų | 34.2 | 18% | 0.181 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -55.8 | -54.4 | 174.9 | -176.1 | -167.9 | 66.9 | -158 | -2.4 | 110.9 | L122 I123 V130 R131 L171 V178 | L122-R126 WeakPolarHBondContact O-CB 3.38Å; L122-R126 PolarHBondContact O-N 2.97Å; I123-R126 WeakPolarHBondContact O-CB 3.4Å; I123-R126 PolarHBondContact O-N 2.99Å; R126-V130 PolarHBondContact O-N 3.36Å; R126-R131 HydrophobicContact CG-CG 4.3Å; R126-R131 WeakPolarHBondContact O-CB 3.36Å; R126-R131 PolarHBondContact O-N 3.48Å; R126-L171 HydrophobicContact CB-CB 4.41Å; R126-L171 HydrophobicContact CB-CD1 4.47Å; R126-L171 HydrophobicContact CB-CD2 4.09Å; R126-L171 HydrophobicContact CG-CB 4.44Å; R126-V178 HydrophobicContact CG-CG2 4.3Å |
| 127 | D | 96.4 | Very high | 95.8 | Very high | 63 Ų | 63 | 35.1 Ų | 35.1 | 34% | 0.337 | 18% | 0.179 | S | C | . | . | I | π-helix | trans | -78.7 | -35.3 | -169.4 | -65.1 | -17.6 | 0 | 0 | 0 | 112.3 | I123 I124 | I123-D127 WeakPolarHBondContact O-CB 3.29Å; I123-D127 PolarHBondContact O-N 3.27Å; I124-D127 PolarHBondContact O-N 2.67Å |
| 128 | Q | 96.9 | Very high | 95.9 | Very high | 58 Ų | 58 | 37.9 Ų | 37.9 | 27% | 0.271 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -96.6 | -18.2 | -174.7 | -54.8 | -58.8 | -34.8 | 0 | 0 | 113.6 | T60 I64 R68 I124 Y132 | T60-Q128 HydrophobicContact CG2-CG 4.32Å; I64-Q128 HydrophobicContact CG1-CB 4.31Å; R68-Q128 PolarHBondContact NE-O 2.78Å; R68-Q128 VanDerWaalsContact NH2-CA 3.3Å; R68-Q128 PolarHBondContact NH2-O 2.93Å; I124-Q128 HydrophobicContact CG2-CB 4.35Å; I124-Q128 HydrophobicContact CG2-CG 3.75Å; I124-Q128 WeakPolarHBondContact O-CA 3.5Å; I124-Q128 WeakPolarHBondContact O-CB 3.28Å; I124-Q128 WeakPolarHBondContact O-CG 3.38Å; I124-Q128 PolarHBondContact O-N 2.82Å; Q128-Y132 WeakPolarHBondContact O-CB 3.29Å |
| 129 | V | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -117 | -65.8 | 179.2 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | L63 V67 V71 L83 F125 Y132 I135 | L63-V129 HydrophobicContact CB-CG2 4.18Å; L63-V129 HydrophobicContact CD2-CG2 4.15Å; V67-V129 HydrophobicContact CG1-CG1 4.33Å; V67-V129 HydrophobicContact CG1-CG2 4.14Å; V71-V129 HydrophobicContact CG2-CG1 4.17Å; L83-V129 HydrophobicContact CD1-CG1 4.21Å; F125-V129 HydrophobicContact CD1-CB 4.46Å; F125-V129 HydrophobicContact CD2-CB 4.43Å; F125-V129 HydrophobicContact CD2-CG2 4.11Å; F125-V129 HydrophobicContact CE1-CB 4.41Å; F125-V129 HydrophobicContact CE1-CG1 4.47Å; F125-V129 HydrophobicContact CE2-CB 4.37Å; F125-V129 HydrophobicContact CE2-CG1 4.39Å; F125-V129 HydrophobicContact CE2-CG2 4.23Å; F125-V129 HydrophobicContact CG-CB 4.48Å; F125-V129 HydrophobicContact CG-CG2 4.48Å; F125-V129 HydrophobicContact CZ-CB 4.36Å; F125-V129 HydrophobicContact CZ-CG1 4.15Å; F125-V129 WeakPolarHBondContact O-CA 3.48Å; F125-V129 VanDerWaalsContact O-CB 3.29Å; F125-V129 WeakPolarHBondContact O-CB 3.44Å; F125-V129 PolarHBondContact O-N 3.43Å; V129-Y132 PolarHBondContact O-N 3.45Å; V129-I135 VanDerWaalsContact O-CD1 3.32Å; V129-I135 WeakPolarHBondContact O-CD1 3.48Å |
| 130 | V | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -67.2 | -44.7 | -170.6 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | F125 R126 Y132 R136 L139 M167 L168 L171 | F125-V130 HydrophobicContact CD1-CG2 3.85Å; F125-V130 HydrophobicContact CE1-CG2 3.59Å; F125-V130 PolarHBondContact O-N 3.07Å; R126-V130 PolarHBondContact O-N 3.36Å; V130-Y132 VanDerWaalsContact C-N 3.31Å; V130-R136 WeakPolarHBondContact O-CA 3.43Å; V130-R136 WeakPolarHBondContact O-CB 3.4Å; V130-R136 PolarHBondContact O-N 3.38Å; V130-R136 VanDerWaalsContact O-N 3.08Å; V130-L139 HydrophobicContact CG1-CD2 4.23Å; V130-M167 HydrophobicContact CG2-CE 4Å; V130-M167 HydrophobicContact CG2-SD 4.22Å; V130-L168 HydrophobicContact CG1-CD2 4Å; V130-L171 HydrophobicContact CB-CD1 4.26Å; V130-L171 HydrophobicContact CG1-CD1 4.45Å; V130-L171 HydrophobicContact CG2-CD1 3.72Å |
| 131 | R | 95.6 | Very high | 95.9 | Very high | 70 Ų | 70 | 41.4 Ų | 41.4 | 26% | 0.264 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 9.1 | 179.9 | -67.1 | -173.6 | 164.9 | -169.7 | -14 | 113.8 | R126 E181 D182 | R126-R131 HydrophobicContact CG-CG 4.3Å; R126-R131 WeakPolarHBondContact O-CB 3.36Å; R126-R131 PolarHBondContact O-N 3.48Å; R131-E181 IonicContact CZ-OE2 2.81Å; R131-E181 IonicContact NH1-OE2 3.49Å; R131-E181 IonicContact NH2-OE2 2.89Å; R131-E181 PolarHBondContact NH2-OE2 3.13Å; R131-D182 IonicContact CZ-OD1 2.78Å; R131-D182 IonicContact CZ-OD2 2.85Å; R131-D182 IonicContact NE-OD1 3.71Å; R131-D182 IonicContact NE-OD2 3.77Å; R131-D182 PolarHBondContact NE-OD2 2.93Å; R131-D182 IonicContact NH2-OD1 3.61Å; R131-D182 PolarHBondContact NH2-OD1 3.33Å; R131-D182 IonicContact NH2-OD2 2.86Å; R131-D182 PolarHBondContact NH2-OD2 3.47Å |
| 132 | Y | 95.6 | Very high | 95.9 | Very high | 90 Ų | 90 | 42.9 Ų | 42.9 | 35% | 0.353 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -81.2 | 126.8 | -179.8 | 178.4 | -98.1 | 0 | 0 | 0 | 112.3 | R68 L72 Q128 V129 V130 C134 I135 | R68-Y132 HydrophobicContact CG-CD1 3.81Å; R68-Y132 HydrophobicContact CG-CE1 4.1Å; R68-Y132 HydrophobicContact CG-CG 4.31Å; R68-Y132 VanDerWaalsContact CZ-CE2 3.4Å; L72-Y132 HydrophobicContact CD1-CD1 4.44Å; L72-Y132 HydrophobicContact CD1-CE1 3.95Å; L72-Y132 HydrophobicContact CD2-CE1 4.5Å; Q128-Y132 WeakPolarHBondContact O-CB 3.29Å; V129-Y132 PolarHBondContact O-N 3.45Å; V130-Y132 VanDerWaalsContact C-N 3.31Å; Y132-C134 PolarHBondContact O-N 2.84Å; Y132-I135 HydrophobicContact CD1-CD1 4.18Å; Y132-I135 WeakPolarHBondContact O-CB 3.4Å; Y132-I135 PolarHBondContact O-N 2.83Å |
| 133 | G | 91 | Very high | 95.9 | Very high | 54 Ų | 54 | 42.7 Ų | 42.7 | 56% | 0.557 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | -124.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 134 | C | 94.2 | Very high | 95.9 | Very high | 68 Ų | 68 | 41.7 Ų | 41.7 | 46% | 0.459 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.1 | -179.7 | 59.8 | 0 | 0 | 0 | 0 | 114.7 | Y132 R136 D137 H138 | Y132-C134 PolarHBondContact O-N 2.84Å; C134-R136 PolarHBondContact O-N 3.46Å; C134-D137 PolarHBondContact O-N 3.27Å; C134-H138 VanDerWaalsContact O-CB 3.24Å; C134-H138 WeakPolarHBondContact O-CB 3.26Å; C134-H138 PolarHBondContact O-N 2.88Å |
| 135 | I | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | -173.3 | -65 | 173.1 | 0 | 0 | 0 | 110.8 | V71 L72 F79 V129 Y132 H138 L139 | V71-I135 HydrophobicContact CB-CD1 4.42Å; V71-I135 HydrophobicContact CG1-CD1 3.85Å; V71-I135 HydrophobicContact CG1-CG1 4.28Å; V71-I135 HydrophobicContact CG1-CG2 4.07Å; L72-I135 HydrophobicContact CD2-CD1 3.8Å; L72-I135 HydrophobicContact CD2-CG1 3.73Å; L72-I135 HydrophobicContact CG-CD1 4.07Å; L72-I135 HydrophobicContact CG-CG1 4.5Å; F79-I135 HydrophobicContact CE2-CG2 4.14Å; F79-I135 HydrophobicContact CZ-CG2 3.99Å; V129-I135 VanDerWaalsContact O-CD1 3.32Å; V129-I135 WeakPolarHBondContact O-CD1 3.48Å; Y132-I135 HydrophobicContact CD1-CD1 4.18Å; Y132-I135 WeakPolarHBondContact O-CB 3.4Å; Y132-I135 PolarHBondContact O-N 2.83Å; I135-H138 PolarHBondContact O-N 3.49Å; I135-L139 VanDerWaalsContact O-CB 3.3Å; I135-L139 WeakPolarHBondContact O-CB 3.03Å; I135-L139 PolarHBondContact O-N 3.25Å |
| 136 | R | 94.9 | Very high | 95.7 | Very high | 85 Ų | 85 | 45.5 Ų | 45.5 | 32% | 0.321 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.5 | -52 | 178.7 | -175.7 | -168.2 | 63.9 | -164.4 | -7 | 111.7 | V130 C134 H138 L139 R140 D182 | V130-R136 WeakPolarHBondContact O-CA 3.43Å; V130-R136 WeakPolarHBondContact O-CB 3.4Å; V130-R136 PolarHBondContact O-N 3.38Å; V130-R136 VanDerWaalsContact O-N 3.08Å; C134-R136 PolarHBondContact O-N 3.46Å; R136-H138 VanDerWaalsContact C-N 3.3Å; R136-H138 PolarHBondContact O-N 3.3Å; R136-L139 PolarHBondContact O-N 2.95Å; R136-R140 WeakPolarHBondContact O-CB 3.12Å; R136-R140 PolarHBondContact O-N 3.48Å; R136-D182 WeakPolarHBondContact CD-OD1 3.46Å; R136-D182 HydrophobicContact CG-CB 4.2Å |
| 137 | D | 94.9 | Very high | 95.6 | Very high | 71 Ų | 71 | 43.2 Ų | 43.2 | 38% | 0.38 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.2 | -34.8 | -174.7 | -59.8 | -20.5 | 0 | 0 | 0 | 110.3 | C134 R140 Q141 | C134-D137 PolarHBondContact O-N 3.27Å; D137-R140 IonicContact OD1-NH1 3.57Å; D137-Q141 WeakPolarHBondContact O-CB 3.33Å; D137-Q141 PolarHBondContact O-N 3.31Å |
| 138 | H | 96.1 | Very high | 95.6 | Very high | 58 Ų | 58 | 41.4 Ų | 41.4 | 27% | 0.269 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.8 | -41.4 | 173.6 | -169.4 | 79.9 | 0 | 0 | 0 | 112.9 | L75 F79 C134 I135 R136 Q141 T142 | L75-H138 HydrophobicContact CD2-CB 4Å; L75-H138 PolarHBondContact O-NE2 3.1Å; F79-H138 AromaticContact CD1-CD2 3.79Å; F79-H138 AromaticContact CE1-CD2 3.91Å; F79-H138 AromaticContact CG-CD2 3.97Å; C134-H138 VanDerWaalsContact O-CB 3.24Å; C134-H138 WeakPolarHBondContact O-CB 3.26Å; C134-H138 PolarHBondContact O-N 2.88Å; I135-H138 PolarHBondContact O-N 3.49Å; R136-H138 VanDerWaalsContact C-N 3.3Å; R136-H138 PolarHBondContact O-N 3.3Å; H138-Q141 PolarHBondContact O-N 3.46Å; H138-T142 VanDerWaalsContact O-CB 3.3Å; H138-T142 WeakPolarHBondContact O-CB 3.21Å; H138-T142 PolarHBondContact O-N 2.97Å; H138-T142 PolarHBondContact O-OG1 3.27Å |
| 139 | L | 96.2 | Very high | 95.4 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -50.8 | 173.2 | 174.4 | 61.6 | 0 | 0 | 0 | 110.6 | F79 L80 L83 V130 I135 R136 Q141 T142 L143 A164 M167 L168 | F79-L139 HydrophobicContact CE1-CB 3.89Å; F79-L139 HydrophobicContact CE1-CD1 3.91Å; F79-L139 HydrophobicContact CZ-CB 4.05Å; L80-L139 HydrophobicContact CD2-CD1 3.48Å; L80-L139 VanDerWaalsContact CD2-CD1 3.48Å; L83-L139 HydrophobicContact CD2-CD1 4.09Å; L83-L139 HydrophobicContact CD2-CD2 4.08Å; V130-L139 HydrophobicContact CG1-CD2 4.23Å; I135-L139 VanDerWaalsContact O-CB 3.3Å; I135-L139 WeakPolarHBondContact O-CB 3.03Å; I135-L139 PolarHBondContact O-N 3.25Å; R136-L139 PolarHBondContact O-N 2.95Å; L139-Q141 PolarHBondContact O-N 3.43Å; L139-T142 PolarHBondContact O-N 3.06Å; L139-L143 HydrophobicContact CD1-CD1 3.97Å; L139-L143 HydrophobicContact CD1-CG 4.11Å; L139-L143 HydrophobicContact CG-CD1 4.18Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.47Å; L139-L143 PolarHBondContact O-N 3.46Å; L139-A164 HydrophobicContact CD1-CB 4.28Å; L139-M167 HydrophobicContact CD2-CE 3.99Å; L139-L168 HydrophobicContact CD2-CD2 4.24Å |
| 140 | R | 95.7 | Very high | 95.3 | Very high | 59 Ų | 59 | 44.4 Ų | 44.4 | 22% | 0.223 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.3 | -56.1 | 175.3 | 178.6 | -170.4 | -65.1 | 168.7 | -7.9 | 110.7 | R136 D137 T142 L143 L144 E181 D182 P186 | R136-R140 WeakPolarHBondContact O-CB 3.12Å; R136-R140 PolarHBondContact O-N 3.48Å; D137-R140 IonicContact OD1-NH1 3.57Å; R140-T142 VanDerWaalsContact C-N 3.32Å; R140-T142 PolarHBondContact O-N 3.48Å; R140-L143 PolarHBondContact O-N 2.69Å; R140-L144 HydrophobicContact CG-CD1 3.85Å; R140-L144 HydrophobicContact CG-CG 4.33Å; R140-L144 WeakPolarHBondContact O-CB 3.16Å; R140-L144 VanDerWaalsContact O-CG 3.26Å; R140-L144 WeakPolarHBondContact O-CG 3.39Å; R140-L144 PolarHBondContact O-N 3.15Å; R140-E181 PolarHBondContact NH2-O 2.92Å; R140-E181 VanDerWaalsContact NH2-O 3.16Å; R140-D182 PolarHBondContact NE-O 3.18Å; R140-P186 HydrophobicContact CG-CB 4.17Å; R140-P186 HydrophobicContact CG-CG 4.4Å |
| 141 | Q | 96 | Very high | 95.2 | Very high | 96 Ų | 96 | 45 Ų | 45 | 45% | 0.449 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.4 | -43.2 | -177.2 | -172 | 59.4 | 43.4 | 0 | 0 | 111.9 | D137 H138 L139 L143 L144 D145 | D137-Q141 WeakPolarHBondContact O-CB 3.33Å; D137-Q141 PolarHBondContact O-N 3.31Å; H138-Q141 PolarHBondContact O-N 3.46Å; L139-Q141 PolarHBondContact O-N 3.43Å; Q141-L143 PolarHBondContact O-N 3.2Å; Q141-L144 PolarHBondContact O-N 3.04Å; Q141-D145 PolarHBondContact NE2-OD1 3.22Å; Q141-D145 PolarHBondContact NE2-OD2 3.3Å; Q141-D145 WeakPolarHBondContact O-CB 3.17Å; Q141-D145 VanDerWaalsContact O-CG 3.29Å; Q141-D145 PolarHBondContact O-N 3.07Å |
| 142 | T | 95.7 | Very high | 94.9 | Very high | 32 Ų | 32 | 49.1 Ų | 49.1 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -47 | 178.2 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | L80 H138 L139 R140 M146 | L80-T142 HydrophobicContact CD1-CG2 3.93Å; L80-T142 HydrophobicContact CD2-CG2 4.38Å; L80-T142 HydrophobicContact CG-CG2 4.06Å; H138-T142 VanDerWaalsContact O-CB 3.3Å; H138-T142 WeakPolarHBondContact O-CB 3.21Å; H138-T142 PolarHBondContact O-N 2.97Å; H138-T142 PolarHBondContact O-OG1 3.27Å; L139-T142 PolarHBondContact O-N 3.06Å; R140-T142 VanDerWaalsContact C-N 3.32Å; R140-T142 PolarHBondContact O-N 3.48Å; T142-M146 HydrophobicContact CG2-SD 4.38Å; T142-M146 VanDerWaalsContact O-CG 3.27Å; T142-M146 WeakPolarHBondContact O-CG 3.29Å; T142-M146 PolarHBondContact O-N 2.96Å |
| 143 | L | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 178.9 | -65.1 | 176.5 | 0 | 0 | 0 | 111.7 | L80 L139 R140 Q141 M146 I147 I161 A164 F183 | L80-L143 HydrophobicContact CD1-CD2 4.27Å; L80-L143 HydrophobicContact CD2-CD2 4.32Å; L139-L143 HydrophobicContact CD1-CD1 3.97Å; L139-L143 HydrophobicContact CD1-CG 4.11Å; L139-L143 HydrophobicContact CG-CD1 4.18Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.47Å; L139-L143 PolarHBondContact O-N 3.46Å; R140-L143 PolarHBondContact O-N 2.69Å; Q141-L143 PolarHBondContact O-N 3.2Å; L143-M146 PolarHBondContact O-N 2.92Å; L143-I147 WeakPolarHBondContact O-CG1 3.43Å; L143-I147 PolarHBondContact O-N 3.49Å; L143-I147 VanDerWaalsContact O-N 3.1Å; L143-I161 HydrophobicContact CD2-CB 4.4Å; L143-I161 HydrophobicContact CD2-CG1 4.24Å; L143-I161 HydrophobicContact CD2-CG2 4.42Å; L143-A164 HydrophobicContact CD1-CB 3.98Å; L143-A164 HydrophobicContact CD2-CB 3.87Å; L143-A164 HydrophobicContact CG-CB 4.5Å; L143-F183 HydrophobicContact CB-CD2 3.98Å; L143-F183 HydrophobicContact CB-CE2 3.66Å; L143-F183 HydrophobicContact CD1-CD2 3.76Å; L143-F183 HydrophobicContact CD1-CE2 4.08Å; L143-F183 HydrophobicContact CD1-CG 4.49Å |
| 144 | L | 96.6 | Very high | 94.8 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 177.4 | -68.8 | -176.5 | 0 | 0 | 0 | 112 | R140 Q141 M146 I147 A148 F183 P186 F187 M190 | R140-L144 HydrophobicContact CG-CD1 3.85Å; R140-L144 HydrophobicContact CG-CG 4.33Å; R140-L144 WeakPolarHBondContact O-CB 3.16Å; R140-L144 VanDerWaalsContact O-CG 3.26Å; R140-L144 WeakPolarHBondContact O-CG 3.39Å; R140-L144 PolarHBondContact O-N 3.15Å; Q141-L144 PolarHBondContact O-N 3.04Å; L144-M146 PolarHBondContact O-N 3.28Å; L144-I147 PolarHBondContact O-N 3.41Å; L144-A148 WeakPolarHBondContact O-CB 3.31Å; L144-A148 PolarHBondContact O-N 2.88Å; L144-F183 HydrophobicContact CD2-CE2 4.16Å; L144-P186 HydrophobicContact CD1-CB 4.16Å; L144-F187 VanDerWaalsContact CD2-CA 3.46Å; L144-F187 HydrophobicContact CD2-CB 3.69Å; L144-F187 HydrophobicContact CD2-CD2 4.23Å; L144-F187 HydrophobicContact CD2-CG 4.48Å; L144-M190 HydrophobicContact CB-CE 4.14Å; L144-M190 HydrophobicContact CB-SD 3.73Å; L144-M190 HydrophobicContact CD1-SD 4.43Å; L144-M190 HydrophobicContact CD2-CE 3.87Å; L144-M190 HydrophobicContact CD2-SD 4.2Å; L144-M190 HydrophobicContact CG-SD 4.33Å |
| 145 | D | 95.6 | Very high | 94.7 | Very high | 73 Ų | 73 | 53.5 Ų | 53.5 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 177.9 | -75.2 | -26.6 | 0 | 0 | 0 | 112.5 | Q141 A148 R149 | Q141-D145 PolarHBondContact NE2-OD1 3.22Å; Q141-D145 PolarHBondContact NE2-OD2 3.3Å; Q141-D145 WeakPolarHBondContact O-CB 3.17Å; Q141-D145 VanDerWaalsContact O-CG 3.29Å; Q141-D145 PolarHBondContact O-N 3.07Å; D145-A148 PolarHBondContact O-N 2.95Å; D145-R149 WeakPolarHBondContact O-CB 3.46Å; D145-R149 WeakPolarHBondContact O-CG 3.47Å; D145-R149 PolarHBondContact O-N 3.1Å; D145-R149 PolarHBondContact O-NE 3.4Å |
| 146 | M | 95.4 | Very high | 94.5 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 172 | -72.6 | 176.8 | 73 | 0 | 0 | 111 | L80 T142 L143 L144 A148 R149 E150 V156 D157 A160 I161 | L80-M146 HydrophobicContact CD1-SD 3.59Å; L80-M146 VanDerWaalsContact CD1-SD 3.59Å; T142-M146 HydrophobicContact CG2-SD 4.38Å; T142-M146 VanDerWaalsContact O-CG 3.27Å; T142-M146 WeakPolarHBondContact O-CG 3.29Å; T142-M146 PolarHBondContact O-N 2.96Å; L143-M146 PolarHBondContact O-N 2.92Å; L144-M146 PolarHBondContact O-N 3.28Å; M146-A148 PolarHBondContact O-N 3.49Å; M146-R149 PolarHBondContact O-N 3.02Å; M146-E150 PolarHBondContact O-N 3.28Å; M146-V156 HydrophobicContact CE-CB 4.25Å; M146-V156 WeakPolarHBondContact O-CG1 3.25Å; M146-D157 HydrophobicContact CE-CB 4.17Å; M146-D157 WeakPolarHBondContact CE-O 3.43Å; M146-A160 HydrophobicContact CE-CB 4.44Å; M146-I161 HydrophobicContact CB-CD1 4Å; M146-I161 HydrophobicContact CB-CG1 4.39Å; M146-I161 HydrophobicContact CE-CD1 4.17Å; M146-I161 HydrophobicContact CE-CG1 3.85Å; M146-I161 HydrophobicContact SD-CG1 4.2Å |
| 147 | I | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 178.1 | -65.2 | 167.6 | 0 | 0 | 0 | 111.3 | L143 L144 R149 E150 R151 I161 F183 F187 L230 | L143-I147 WeakPolarHBondContact O-CG1 3.43Å; L143-I147 PolarHBondContact O-N 3.49Å; L143-I147 VanDerWaalsContact O-N 3.1Å; L144-I147 PolarHBondContact O-N 3.41Å; I147-R149 VanDerWaalsContact C-N 3.34Å; I147-R149 PolarHBondContact O-N 2.98Å; I147-E150 WeakPolarHBondContact O-CB 3.43Å; I147-E150 PolarHBondContact O-N 3.29Å; I147-R151 PolarHBondContact O-N 3.47Å; I147-I161 HydrophobicContact CG1-CD1 4.14Å; I147-F183 HydrophobicContact CD1-CE2 4.15Å; I147-F183 HydrophobicContact CD1-CZ 3.74Å; I147-F187 HydrophobicContact CD1-CD2 3.89Å; I147-F187 HydrophobicContact CD1-CE2 3.97Å; I147-F187 HydrophobicContact CG2-CE2 3.98Å; I147-L230 HydrophobicContact CD1-CD2 4.43Å |
| 148 | A | 94.8 | Very high | 94.3 | Very high | 25 Ų | 25 | 56.8 Ų | 56.8 | 21% | 0.207 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L144 D145 M146 K152 | L144-A148 WeakPolarHBondContact O-CB 3.31Å; L144-A148 PolarHBondContact O-N 2.88Å; D145-A148 PolarHBondContact O-N 2.95Å; M146-A148 PolarHBondContact O-N 3.49Å; A148-K152 WeakPolarHBondContact O-CG 3.35Å |
| 149 | R | 94.3 | Very high | 94.2 | Very high | 103 Ų | 103 | 55.1 Ų | 55.1 | 39% | 0.389 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.2 | -40.8 | 173.9 | -74.1 | -175 | -60.6 | 136.2 | -8.6 | 112 | D145 M146 I147 R151 K152 G153 E154 V156 | D145-R149 WeakPolarHBondContact O-CB 3.46Å; D145-R149 WeakPolarHBondContact O-CG 3.47Å; D145-R149 PolarHBondContact O-N 3.1Å; D145-R149 PolarHBondContact O-NE 3.4Å; M146-R149 PolarHBondContact O-N 3.02Å; I147-R149 VanDerWaalsContact C-N 3.34Å; I147-R149 PolarHBondContact O-N 2.98Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-R151 PolarHBondContact O-N 3.37Å; R149-K152 WeakPolarHBondContact O-CA 3.44Å; R149-K152 WeakPolarHBondContact O-CB 3.45Å; R149-K152 PolarHBondContact O-N 3.42Å; R149-G153 PolarHBondContact O-N 2.84Å; R149-E154 HydrophobicContact CB-CB 4.06Å; R149-E154 HydrophobicContact CB-CG 4.32Å; R149-E154 VanDerWaalsContact CD-OE2 3.29Å; R149-E154 WeakPolarHBondContact CD-OE2 3.5Å; R149-E154 IonicContact NH1-OE2 3.87Å; R149-E154 WeakPolarHBondContact O-CB 3.41Å; R149-E154 PolarHBondContact O-N 3.07Å; R149-E154 VanDerWaalsContact O-N 3.1Å; R149-V156 HydrophobicContact CB-CG1 4.32Å |
| 150 | E | 94.4 | Very high | 94.1 | Very high | 19 Ų | 19 | 55.7 Ų | 55.7 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 174.6 | -170.1 | -168.9 | -149.6 | 0 | 0 | 112.1 | M146 I147 K152 G153 V156 R158 R225 | M146-E150 PolarHBondContact O-N 3.28Å; I147-E150 WeakPolarHBondContact O-CB 3.43Å; I147-E150 PolarHBondContact O-N 3.29Å; E150-K152 PolarHBondContact O-N 3.3Å; E150-K152 VanDerWaalsContact O-N 3.15Å; E150-G153 WeakPolarHBondContact O-CA 3.4Å; E150-G153 PolarHBondContact O-N 3.42Å; E150-V156 HydrophobicContact CB-CG1 4.34Å; E150-V156 HydrophobicContact CB-CG2 3.78Å; E150-V156 HydrophobicContact CG-CG2 3.98Å; E150-R158 IonicContact OE1-CZ 3.89Å; E150-R158 IonicContact OE1-NE 2.9Å; E150-R158 PolarHBondContact OE1-NE 3.1Å; E150-R158 IonicContact OE1-NH2 3.68Å; E150-R158 PolarHBondContact OE1-NH2 3.45Å; E150-R225 IonicContact OE2-CZ 3.8Å; E150-R225 IonicContact OE2-NE 2.69Å; E150-R225 PolarHBondContact OE2-NE 2.83Å; E150-R225 IonicContact OE2-NH2 3.95Å |
| 151 | R | 93.3 | Very high | 94.1 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 5% | 0.045 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -22.3 | 175.8 | -77.1 | -179.9 | 173.7 | 150 | 5.7 | 113.7 | I147 R149 G153 S191 F194 E222 | I147-R151 PolarHBondContact O-N 3.47Å; R149-R151 VanDerWaalsContact C-N 3.34Å; R149-R151 PolarHBondContact O-N 3.37Å; R151-G153 VanDerWaalsContact C-N 3.34Å; R151-S191 PolarHBondContact NH1-OG 3.31Å; R151-S191 PolarHBondContact NH2-OG 3.34Å; R151-F194 HydrophobicContact CB-CE2 4.33Å; R151-F194 HydrophobicContact CB-CZ 4.05Å; R151-E222 IonicContact CZ-OE1 3.04Å; R151-E222 IonicContact CZ-OE2 3.24Å; R151-E222 IonicContact NE-OE1 2.84Å; R151-E222 PolarHBondContact NE-OE1 3.26Å; R151-E222 IonicContact NE-OE2 2.67Å; R151-E222 IonicContact NH2-OE1 2.64Å; R151-E222 PolarHBondContact NH2-OE1 3.5Å; R151-E222 VanDerWaalsContact NH2-OE1 3.1Å; R151-E222 IonicContact NH2-OE2 3.9Å; R151-E222 PolarHBondContact NH2-OE2 3.03Å |
| 152 | K | 90.9 | Very high | 94.1 | Very high | 157 Ų | 157 | 54 Ų | 54 | 68% | 0.683 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -0.3 | 174.1 | -64.5 | 174 | -175 | 174.9 | 0 | 113.1 | A148 R149 E150 | A148-K152 WeakPolarHBondContact O-CG 3.35Å; R149-K152 WeakPolarHBondContact O-CA 3.44Å; R149-K152 WeakPolarHBondContact O-CB 3.45Å; R149-K152 PolarHBondContact O-N 3.42Å; E150-K152 PolarHBondContact O-N 3.3Å; E150-K152 VanDerWaalsContact O-N 3.15Å |
| 153 | G | 89.9 | Confident | 94.2 | Very high | 69 Ų | 69 | 54.6 Ų | 54.6 | 71% | 0.711 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91 | 10.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R149 E150 R151 | R149-G153 PolarHBondContact O-N 2.84Å; E150-G153 WeakPolarHBondContact O-CA 3.4Å; E150-G153 PolarHBondContact O-N 3.42Å; R151-G153 VanDerWaalsContact C-N 3.34Å |
| 154 | E | 94.1 | Very high | 94.2 | Very high | 88 Ų | 88 | 55 Ų | 55 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | trans | -77 | 145.3 | 175.2 | -60.9 | 179.2 | -139.3 | 0 | 0 | 111.3 | R149 V156 | R149-E154 HydrophobicContact CB-CB 4.06Å; R149-E154 HydrophobicContact CB-CG 4.32Å; R149-E154 VanDerWaalsContact CD-OE2 3.29Å; R149-E154 WeakPolarHBondContact CD-OE2 3.5Å; R149-E154 IonicContact NH1-OE2 3.87Å; R149-E154 WeakPolarHBondContact O-CB 3.41Å; R149-E154 PolarHBondContact O-N 3.07Å; R149-E154 VanDerWaalsContact O-N 3.1Å; E154-V156 PolarHBondContact O-N 3Å | ||
| 155 | V | 91 | Very high | 94.1 | Very high | 146 Ų | 146 | 54.7 Ų | 54.7 | 89% | 0.885 | 29% | 0.291 | S | S | * | . | trans | -76.9 | 124.8 | 175 | -179 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 156 | V | 93.1 | Very high | 94.1 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 14% | 0.139 | 29% | 0.294 | C | S | . | . | trans | -125.9 | 154.7 | 177.7 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | M146 R149 E150 E154 R158 I161 | M146-V156 HydrophobicContact CE-CB 4.25Å; M146-V156 WeakPolarHBondContact O-CG1 3.25Å; R149-V156 HydrophobicContact CB-CG1 4.32Å; E150-V156 HydrophobicContact CB-CG1 4.34Å; E150-V156 HydrophobicContact CB-CG2 3.78Å; E150-V156 HydrophobicContact CG-CG2 3.98Å; E154-V156 PolarHBondContact O-N 3Å; V156-R158 HydrophobicContact CG2-CG 4.47Å; V156-R158 PolarHBondContact O-N 3.47Å; V156-I161 HydrophobicContact CG2-CD1 4.39Å | ||
| 157 | D | 91.9 | Very high | 94.2 | Very high | 102 Ų | 102 | 55.3 Ų | 55.3 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | trans | -74.2 | 89.3 | 173.9 | -173.8 | -8 | 0 | 0 | 0 | 110.6 | M146 G159 A160 I161 | M146-D157 HydrophobicContact CE-CB 4.17Å; M146-D157 WeakPolarHBondContact CE-O 3.43Å; D157-G159 PolarHBondContact O-N 3.41Å; D157-G159 WeakPolarHBondContact OD1-CA 3.48Å; D157-G159 PolarHBondContact OD1-N 2.87Å; D157-A160 HydrophobicContact CB-CB 4.08Å; D157-A160 PolarHBondContact O-N 3.44Å; D157-A160 PolarHBondContact OD1-N 3.3Å; D157-A160 VanDerWaalsContact OD1-N 3.07Å; D157-I161 PolarHBondContact O-N 3.12Å | ||
| 158 | R | 92.9 | Very high | 94.3 | Very high | 100 Ų | 100 | 55.5 Ų | 55.5 | 38% | 0.377 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58 | -30.1 | 174.4 | -69.8 | -171.2 | 173 | -177.3 | 0.4 | 112.7 | E150 V156 I161 R162 C229 | E150-R158 IonicContact OE1-CZ 3.89Å; E150-R158 IonicContact OE1-NE 2.9Å; E150-R158 PolarHBondContact OE1-NE 3.1Å; E150-R158 IonicContact OE1-NH2 3.68Å; E150-R158 PolarHBondContact OE1-NH2 3.45Å; V156-R158 HydrophobicContact CG2-CG 4.47Å; V156-R158 PolarHBondContact O-N 3.47Å; R158-I161 PolarHBondContact O-N 3.49Å; R158-R162 WeakPolarHBondContact O-CB 3.48Å; R158-R162 PolarHBondContact O-N 3.35Å; R158-C229 WeakPolarHBondContact CB-SG 3.44Å; R158-C229 WeakPolarHBondContact CG-SG 3.38Å |
| 159 | G | 94.4 | Very high | 94.3 | Very high | 23 Ų | 23 | 56.5 Ų | 56.5 | 24% | 0.237 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D157 R162 N163 | D157-G159 PolarHBondContact O-N 3.41Å; D157-G159 WeakPolarHBondContact OD1-CA 3.48Å; D157-G159 PolarHBondContact OD1-N 2.87Å; G159-R162 PolarHBondContact O-N 2.93Å; G159-N163 WeakPolarHBondContact O-CB 3.33Å; G159-N163 PolarHBondContact O-N 3.04Å; G159-N163 PolarHBondContact O-ND2 3.29Å; G159-N163 PolarHBondContact O-OD1 3.12Å |
| 160 | A | 93.8 | Very high | 94.4 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L80 M146 D157 N163 A164 | L80-A160 HydrophobicContact CD1-CB 4Å; M146-A160 HydrophobicContact CE-CB 4.44Å; D157-A160 HydrophobicContact CB-CB 4.08Å; D157-A160 PolarHBondContact O-N 3.44Å; D157-A160 PolarHBondContact OD1-N 3.3Å; D157-A160 VanDerWaalsContact OD1-N 3.07Å; A160-N163 PolarHBondContact O-N 3.14Å; A160-A164 WeakPolarHBondContact O-CB 3.19Å; A160-A164 PolarHBondContact O-N 3.22Å |
| 161 | I | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 175.7 | -58.9 | 171.9 | 0 | 0 | 0 | 110.1 | L143 M146 I147 V156 D157 R158 N163 A164 C165 C229 L230 | L143-I161 HydrophobicContact CD2-CB 4.4Å; L143-I161 HydrophobicContact CD2-CG1 4.24Å; L143-I161 HydrophobicContact CD2-CG2 4.42Å; M146-I161 HydrophobicContact CB-CD1 4Å; M146-I161 HydrophobicContact CB-CG1 4.39Å; M146-I161 HydrophobicContact CE-CD1 4.17Å; M146-I161 HydrophobicContact CE-CG1 3.85Å; M146-I161 HydrophobicContact SD-CG1 4.2Å; I147-I161 HydrophobicContact CG1-CD1 4.14Å; V156-I161 HydrophobicContact CG2-CD1 4.39Å; D157-I161 PolarHBondContact O-N 3.12Å; R158-I161 PolarHBondContact O-N 3.49Å; I161-N163 PolarHBondContact O-N 2.85Å; I161-A164 PolarHBondContact O-N 2.87Å; I161-C165 WeakPolarHBondContact O-CB 3.46Å; I161-C165 PolarHBondContact O-N 3.3Å; I161-C165 PolarHBondContact O-SG 3.37Å; I161-C229 HydrophobicContact CB-CB 4.23Å; I161-C229 HydrophobicContact CG2-CB 3.92Å; I161-L230 HydrophobicContact CG2-CD2 3.97Å |
| 162 | R | 96.5 | Very high | 94.4 | Very high | 119 Ų | 119 | 53.7 Ų | 53.7 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 179.3 | -171.4 | -177 | 66.7 | -168.6 | -1.5 | 112.2 | R158 G159 A164 C165 Q166 C229 | R158-R162 WeakPolarHBondContact O-CB 3.48Å; R158-R162 PolarHBondContact O-N 3.35Å; G159-R162 PolarHBondContact O-N 2.93Å; R162-A164 VanDerWaalsContact C-N 3.34Å; R162-A164 PolarHBondContact O-N 3.23Å; R162-C165 PolarHBondContact O-N 2.95Å; R162-Q166 HydrophobicContact CG-CG 4.45Å; R162-Q166 WeakPolarHBondContact O-CB 3.37Å; R162-Q166 VanDerWaalsContact O-CG 3.27Å; R162-Q166 WeakPolarHBondContact O-CG 3.45Å; R162-Q166 PolarHBondContact O-N 2.93Å; R162-C229 VanDerWaalsContact CA-O 3.24Å; R162-C229 WeakPolarHBondContact CA-O 3.3Å |
| 163 | N | 96.3 | Very high | 94.3 | Very high | 45 Ų | 45 | 48.7 Ų | 48.7 | 24% | 0.241 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | -178.4 | -64.7 | -12.2 | 0 | 0 | 0 | 111.2 | N84 G159 A160 I161 Q166 M167 | N84-N163 PolarHBondContact ND2-ND2 2.89Å; G159-N163 WeakPolarHBondContact O-CB 3.33Å; G159-N163 PolarHBondContact O-N 3.04Å; G159-N163 PolarHBondContact O-ND2 3.29Å; G159-N163 PolarHBondContact O-OD1 3.12Å; A160-N163 PolarHBondContact O-N 3.14Å; I161-N163 PolarHBondContact O-N 2.85Å; N163-Q166 PolarHBondContact O-N 3.01Å; N163-M167 WeakPolarHBondContact O-CB 3.2Å; N163-M167 PolarHBondContact O-N 3.12Å |
| 164 | A | 96.3 | Very high | 94 | Very high | 9 Ų | 9 | 54.9 Ų | 54.9 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L139 L143 A160 I161 R162 M167 L168 | L139-A164 HydrophobicContact CD1-CB 4.28Å; L143-A164 HydrophobicContact CD1-CB 3.98Å; L143-A164 HydrophobicContact CD2-CB 3.87Å; L143-A164 HydrophobicContact CG-CB 4.5Å; A160-A164 WeakPolarHBondContact O-CB 3.19Å; A160-A164 PolarHBondContact O-N 3.22Å; I161-A164 PolarHBondContact O-N 2.87Å; R162-A164 VanDerWaalsContact C-N 3.34Å; R162-A164 PolarHBondContact O-N 3.23Å; A164-M167 WeakPolarHBondContact O-CB 3.5Å; A164-M167 PolarHBondContact O-N 3.38Å; A164-L168 WeakPolarHBondContact O-CG 3.24Å; A164-L168 PolarHBondContact O-N 2.81Å |
| 165 | C | 96.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 176.4 | -66.8 | 0 | 0 | 0 | 0 | 111.8 | I161 R162 M167 L168 M169 Y179 | I161-C165 WeakPolarHBondContact O-CB 3.46Å; I161-C165 PolarHBondContact O-N 3.3Å; I161-C165 PolarHBondContact O-SG 3.37Å; R162-C165 PolarHBondContact O-N 2.95Å; C165-M167 PolarHBondContact O-N 3.39Å; C165-L168 PolarHBondContact O-N 3.49Å; C165-M169 WeakPolarHBondContact O-CG 3.47Å; C165-M169 PolarHBondContact O-N 3.04Å; C165-Y179 HydrophobicContact CB-CD2 4.31Å; C165-Y179 HydrophobicContact CB-CE2 3.7Å |
| 166 | Q | 95.7 | Very high | 93.8 | Very high | 99 Ų | 99 | 48.6 Ų | 48.6 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62 | -41.7 | 175.8 | -74.9 | 175.1 | -10.6 | 0 | 0 | 112.1 | R162 N163 M169 I170 | R162-Q166 HydrophobicContact CG-CG 4.45Å; R162-Q166 WeakPolarHBondContact O-CB 3.37Å; R162-Q166 VanDerWaalsContact O-CG 3.27Å; R162-Q166 WeakPolarHBondContact O-CG 3.45Å; R162-Q166 PolarHBondContact O-N 2.93Å; N163-Q166 PolarHBondContact O-N 3.01Å; Q166-M169 PolarHBondContact O-N 3.41Å; Q166-I170 VanDerWaalsContact O-CG1 3.29Å; Q166-I170 WeakPolarHBondContact O-CG1 3.08Å; Q166-I170 PolarHBondContact O-N 3.34Å |
| 167 | M | 97 | Very high | 93.8 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.4 | -51.2 | 173 | 175.8 | -170.2 | 72 | 0 | 0 | 110.8 | L83 W87 F125 V130 L139 N163 A164 C165 M169 I170 L171 | L83-M167 HydrophobicContact CD2-CE 4.03Å; L83-M167 HydrophobicContact CG-CE 4.38Å; L83-M167 HydrophobicContact CG-SD 4.36Å; W87-M167 HydrophobicContact CB-CG 4.47Å; W87-M167 HydrophobicContact CB-SD 3.94Å; W87-M167 HydrophobicContact CD2-CB 4.41Å; W87-M167 HydrophobicContact CD2-CG 3.64Å; W87-M167 HydrophobicContact CD2-SD 4.16Å; W87-M167 HydrophobicContact CE3-CG 4.19Å; W87-M167 HydrophobicContact CG-CB 4.28Å; W87-M167 HydrophobicContact CG-CG 3.75Å; W87-M167 HydrophobicContact CG-SD 3.87Å; W87-M167 HydrophobicContact CZ2-CG 4.24Å; F125-M167 HydrophobicContact CE1-SD 4.04Å; V130-M167 HydrophobicContact CG2-CE 4Å; V130-M167 HydrophobicContact CG2-SD 4.22Å; L139-M167 HydrophobicContact CD2-CE 3.99Å; N163-M167 WeakPolarHBondContact O-CB 3.2Å; N163-M167 PolarHBondContact O-N 3.12Å; A164-M167 WeakPolarHBondContact O-CB 3.5Å; A164-M167 PolarHBondContact O-N 3.38Å; C165-M167 PolarHBondContact O-N 3.39Å; M167-M169 VanDerWaalsContact C-N 3.26Å; M167-M169 PolarHBondContact O-N 2.87Å; M167-I170 PolarHBondContact O-N 2.89Å; M167-I170 VanDerWaalsContact O-N 3.13Å; M167-L171 HydrophobicContact CG-CD1 3.86Å; M167-L171 HydrophobicContact CG-CG 4.27Å; M167-L171 VanDerWaalsContact O-CG 3.27Å; M167-L171 WeakPolarHBondContact O-CG 3.44Å; M167-L171 PolarHBondContact O-N 3.42Å; M167-L171 HydrophobicContact SD-CD1 4.46Å |
| 168 | L | 96.7 | Very high | 94 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.3 | -35.8 | 179.7 | -67.5 | 174.3 | 0 | 0 | 0 | 112.5 | V130 L139 A164 C165 G172 V178 Y179 D182 F183 | V130-L168 HydrophobicContact CG1-CD2 4Å; L139-L168 HydrophobicContact CD2-CD2 4.24Å; A164-L168 WeakPolarHBondContact O-CG 3.24Å; A164-L168 PolarHBondContact O-N 2.81Å; C165-L168 PolarHBondContact O-N 3.49Å; L168-G172 PolarHBondContact O-N 3Å; L168-V178 HydrophobicContact CB-CG1 4.4Å; L168-V178 HydrophobicContact CD2-CG1 3.85Å; L168-V178 WeakPolarHBondContact O-CB 3.35Å; L168-Y179 HydrophobicContact CB-CD2 4.13Å; L168-D182 HydrophobicContact CD2-CB 4.48Å; L168-F183 HydrophobicContact CD1-CB 3.75Å |
| 169 | M | 95.8 | Very high | 94.2 | Very high | 46 Ų | 46 | 40.4 Ų | 40.4 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -49 | 172.8 | -74 | -65.1 | -67.5 | 0 | 0 | 111.6 | C165 Q166 M167 L171 G172 R176 Y179 D231 | C165-M169 WeakPolarHBondContact O-CG 3.47Å; C165-M169 PolarHBondContact O-N 3.04Å; Q166-M169 PolarHBondContact O-N 3.41Å; M167-M169 VanDerWaalsContact C-N 3.26Å; M167-M169 PolarHBondContact O-N 2.87Å; M169-L171 VanDerWaalsContact C-N 3.3Å; M169-L171 PolarHBondContact O-N 3.09Å; M169-G172 PolarHBondContact O-N 3.33Å; M169-R176 HydrophobicContact CE-CB 4.02Å; M169-R176 HydrophobicContact SD-CB 3.91Å; M169-Y179 HydrophobicContact CG-CD2 4.12Å; M169-Y179 HydrophobicContact CG-CG 3.97Å; M169-Y179 WeakPolarHBondContact SD-CB 3.38Å; M169-Y179 HydrophobicContact SD-CD1 3.65Å; M169-Y179 HydrophobicContact SD-CD2 4.25Å; M169-Y179 HydrophobicContact SD-CE1 4.47Å; M169-Y179 HydrophobicContact SD-CG 3.51Å; M169-Y179 VanDerWaalsContact SD-CG 3.51Å; M169-D231 HydrophobicContact CE-CB 4.49Å; M169-D231 HydrophobicContact CG-CB 4.26Å; M169-D231 HydrophobicContact SD-CB 4.24Å |
| 170 | I | 95.6 | Very high | 94.2 | Very high | 66 Ų | 66 | 43.8 Ų | 43.8 | 34% | 0.338 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.2 | -36.2 | -179.5 | -65.7 | 164 | 0 | 0 | 0 | 111.5 | W87 L122 Q166 M167 G172 L173 | W87-I170 HydrophobicContact CH2-CB 4.4Å; W87-I170 HydrophobicContact CH2-CG2 3.84Å; W87-I170 HydrophobicContact CZ2-CB 3.91Å; W87-I170 HydrophobicContact CZ2-CD1 4.19Å; W87-I170 HydrophobicContact CZ2-CG2 3.63Å; L122-I170 HydrophobicContact CD1-CG2 3.74Å; Q166-I170 VanDerWaalsContact O-CG1 3.29Å; Q166-I170 WeakPolarHBondContact O-CG1 3.08Å; Q166-I170 PolarHBondContact O-N 3.34Å; M167-I170 PolarHBondContact O-N 2.89Å; M167-I170 VanDerWaalsContact O-N 3.13Å; I170-G172 PolarHBondContact O-N 3.45Å; I170-L173 PolarHBondContact O-N 3.47Å |
| 171 | L | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -15 | 176.4 | -67.9 | 175.5 | 0 | 0 | 0 | 113.4 | W87 L122 F125 R126 V130 M167 M169 L173 V178 | W87-L171 HydrophobicContact CE3-CD2 4.43Å; W87-L171 HydrophobicContact CH2-CD2 3.63Å; W87-L171 HydrophobicContact CH2-CG 4.14Å; W87-L171 HydrophobicContact CZ3-CD2 3.51Å; W87-L171 HydrophobicContact CZ3-CG 4.29Å; L122-L171 HydrophobicContact CB-CD2 4.36Å; L122-L171 WeakPolarHBondContact O-CD2 3.3Å; F125-L171 HydrophobicContact CB-CD2 4.49Å; F125-L171 HydrophobicContact CD1-CD1 4.4Å; F125-L171 HydrophobicContact CD1-CD2 4.12Å; R126-L171 HydrophobicContact CB-CB 4.41Å; R126-L171 HydrophobicContact CB-CD1 4.47Å; R126-L171 HydrophobicContact CB-CD2 4.09Å; R126-L171 HydrophobicContact CG-CB 4.44Å; V130-L171 HydrophobicContact CB-CD1 4.26Å; V130-L171 HydrophobicContact CG1-CD1 4.45Å; V130-L171 HydrophobicContact CG2-CD1 3.72Å; M167-L171 HydrophobicContact CG-CD1 3.86Å; M167-L171 HydrophobicContact CG-CG 4.27Å; M167-L171 VanDerWaalsContact O-CG 3.27Å; M167-L171 WeakPolarHBondContact O-CG 3.44Å; M167-L171 PolarHBondContact O-N 3.42Å; M167-L171 HydrophobicContact SD-CD1 4.46Å; M169-L171 VanDerWaalsContact C-N 3.3Å; M169-L171 PolarHBondContact O-N 3.09Å; L171-L173 PolarHBondContact O-N 2.9Å; L171-V178 HydrophobicContact CB-CB 4.43Å; L171-V178 HydrophobicContact CB-CG1 4.02Å; L171-V178 HydrophobicContact CB-CG2 4.45Å |
| 172 | G | 91.8 | Very high | 94.3 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -4.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L168 M169 I170 E174 G175 | L168-G172 PolarHBondContact O-N 3Å; M169-G172 PolarHBondContact O-N 3.33Å; I170-G172 PolarHBondContact O-N 3.45Å; G172-E174 PolarHBondContact O-N 3.1Å; G172-E174 VanDerWaalsContact O-N 3.12Å; G172-G175 CarbonylContact C-O 3.52Å; G172-G175 VanDerWaalsContact C-O 3.31Å; G172-G175 WeakPolarHBondContact CA-O 3.45Å; G172-G175 PolarHBondContact O-N 3.14Å |
| 173 | L | 90.2 | Very high | 94.3 | Very high | 52 Ų | 52 | 42.9 Ų | 42.9 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | -106.1 | -177.4 | -55.8 | 177.4 | 0 | 0 | 0 | 112.1 | N119 L122 I123 I170 L171 G175 | N119-L173 HydrophobicContact CB-CD2 4.05Å; L122-L173 HydrophobicContact CB-CD2 3.93Å; L122-L173 HydrophobicContact CD1-CD2 3.76Å; L122-L173 HydrophobicContact CG-CD2 4.36Å; I123-L173 HydrophobicContact CD1-CD1 3.88Å; I123-L173 HydrophobicContact CG1-CD1 3.88Å; I170-L173 PolarHBondContact O-N 3.47Å; L171-L173 PolarHBondContact O-N 2.9Å; L173-G175 VanDerWaalsContact C-N 3.32Å |
| 174 | E | 83.1 | Confident | 94.3 | Very high | 198 Ų | 198 | 41 Ų | 41 | 93% | 0.925 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -6.8 | 179.2 | -59.7 | -170.8 | 165.7 | 0 | 0 | 113 | G172 | G172-E174 PolarHBondContact O-N 3.1Å; G172-E174 VanDerWaalsContact O-N 3.12Å |
| 175 | G | 88.3 | Confident | 94.4 | Very high | 39 Ų | 39 | 43 Ų | 43 | 40% | 0.402 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -130.5 | -177.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G172 L173 | G172-G175 CarbonylContact C-O 3.52Å; G172-G175 VanDerWaalsContact C-O 3.31Å; G172-G175 WeakPolarHBondContact CA-O 3.45Å; G172-G175 PolarHBondContact O-N 3.14Å; L173-G175 VanDerWaalsContact C-N 3.32Å |
| 176 | R | 93.4 | Very high | 94.5 | Very high | 64 Ų | 64 | 43.9 Ų | 43.9 | 24% | 0.242 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -107.6 | 9.5 | 179.6 | 69.3 | 177.9 | -62.5 | -178.5 | 8.8 | 114.1 | M169 V178 Y179 E180 E184 S233 | M169-R176 HydrophobicContact CE-CB 4.02Å; M169-R176 HydrophobicContact SD-CB 3.91Å; R176-V178 VanDerWaalsContact C-N 3.31Å; R176-V178 PolarHBondContact O-N 3.18Å; R176-Y179 WeakPolarHBondContact O-CB 3.24Å; R176-Y179 PolarHBondContact O-N 2.59Å; R176-Y179 VanDerWaalsContact O-N 3.09Å; R176-E180 WeakPolarHBondContact O-CB 3.48Å; R176-E180 PolarHBondContact O-N 3.4Å; R176-E184 IonicContact CZ-OE1 3.73Å; R176-E184 IonicContact CZ-OE2 3.05Å; R176-E184 IonicContact NE-OE2 2.64Å; R176-E184 IonicContact NH1-OE1 2.91Å; R176-E184 IonicContact NH1-OE2 3.27Å; R176-E184 IonicContact NH2-OE1 3.8Å; R176-E184 PolarHBondContact NH2-OE1 2.99Å; R176-E184 IonicContact NH2-OE2 3.31Å; R176-E184 PolarHBondContact NH2-OE2 3.46Å; R176-S233 PolarHBondContact NH1-O 3.43Å; R176-S233 PolarHBondContact NH1-OG 3.49Å; R176-S233 PolarHBondContact NH2-OG 3.26Å |
| 177 | S | 92.5 | Very high | 94.6 | Very high | 52 Ų | 52 | 39.1 Ų | 39.1 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.3 | -40.8 | -169.1 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | E180 E181 | S177-E180 PolarHBondContact O-N 3.45Å; S177-E181 VanDerWaalsContact O-CB 3.25Å; S177-E181 WeakPolarHBondContact O-CB 3.34Å; S177-E181 VanDerWaalsContact O-CG 3.22Å; S177-E181 WeakPolarHBondContact O-CG 3.44Å; S177-E181 PolarHBondContact O-N 3.39Å |
| 178 | V | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.4 | -45.4 | 178 | 177.4 | 0 | 0 | 0 | 0 | 111 | R126 L168 L171 R176 D182 | R126-V178 HydrophobicContact CG-CG2 4.3Å; L168-V178 HydrophobicContact CB-CG1 4.4Å; L168-V178 HydrophobicContact CD2-CG1 3.85Å; L168-V178 WeakPolarHBondContact O-CB 3.35Å; L171-V178 HydrophobicContact CB-CB 4.43Å; L171-V178 HydrophobicContact CB-CG1 4.02Å; L171-V178 HydrophobicContact CB-CG2 4.45Å; R176-V178 VanDerWaalsContact C-N 3.31Å; R176-V178 PolarHBondContact O-N 3.18Å; V178-D182 WeakPolarHBondContact O-CB 3.34Å; V178-D182 PolarHBondContact O-N 2.99Å |
| 179 | Y | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 174.6 | 177.5 | -103.5 | 0 | 0 | 0 | 112.4 | C165 L168 M169 R176 F183 E184 D231 T234 | C165-Y179 HydrophobicContact CB-CD2 4.31Å; C165-Y179 HydrophobicContact CB-CE2 3.7Å; L168-Y179 HydrophobicContact CB-CD2 4.13Å; M169-Y179 HydrophobicContact CG-CD2 4.12Å; M169-Y179 HydrophobicContact CG-CG 3.97Å; M169-Y179 WeakPolarHBondContact SD-CB 3.38Å; M169-Y179 HydrophobicContact SD-CD1 3.65Å; M169-Y179 HydrophobicContact SD-CD2 4.25Å; M169-Y179 HydrophobicContact SD-CE1 4.47Å; M169-Y179 HydrophobicContact SD-CG 3.51Å; M169-Y179 VanDerWaalsContact SD-CG 3.51Å; R176-Y179 WeakPolarHBondContact O-CB 3.24Å; R176-Y179 PolarHBondContact O-N 2.59Å; R176-Y179 VanDerWaalsContact O-N 3.09Å; Y179-F183 HydrophobicContact CD2-CD1 4.16Å; Y179-F183 AromaticContact CE2-CD1 3.45Å; Y179-F183 HydrophobicContact CE2-CD1 3.45Å; Y179-F183 VanDerWaalsContact CE2-CD1 3.45Å; Y179-F183 AromaticContact CE2-CE1 4Å; Y179-F183 HydrophobicContact CE2-CE1 4Å; Y179-F183 HydrophobicContact CE2-CG 4.39Å; Y179-F183 AromaticContact CZ-CD1 3.74Å; Y179-F183 PolarHBondContact O-N 2.85Å; Y179-F183 VanDerWaalsContact O-N 3.1Å; Y179-E184 HydrophobicContact CD1-CB 4.14Å; Y179-E184 HydrophobicContact CE1-CB 3.84Å; Y179-E184 HydrophobicContact CE1-CG 4.13Å; Y179-E184 PolarHBondContact O-N 3.09Å; Y179-D231 HydrophobicContact CE1-CB 4.16Å; Y179-T234 WeakPolarHBondContact CE1-OG1 3.45Å; Y179-T234 PolarHBondContact OH-OG1 3.06Å |
| 180 | E | 95.8 | Very high | 94.7 | Very high | 95 Ų | 95 | 46.3 Ų | 46.3 | 44% | 0.444 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -65 | -51.8 | -177.6 | -173.3 | 173.9 | 172.3 | 0 | 0 | 112.1 | R176 S177 E184 A185 | R176-E180 WeakPolarHBondContact O-CB 3.48Å; R176-E180 PolarHBondContact O-N 3.4Å; S177-E180 PolarHBondContact O-N 3.45Å; E180-E184 PolarHBondContact O-N 3.23Å; E180-A185 WeakPolarHBondContact O-CB 3.5Å; E180-A185 PolarHBondContact O-N 3.21Å |
| 181 | E | 95.3 | Very high | 94.8 | Very high | 108 Ų | 108 | 43.1 Ų | 43.1 | 51% | 0.505 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -72.6 | -43.7 | -177.9 | -67.3 | 169.9 | -176.8 | 0 | 0 | 112.6 | R131 R140 S177 | R131-E181 IonicContact CZ-OE2 2.81Å; R131-E181 IonicContact NH1-OE2 3.49Å; R131-E181 IonicContact NH2-OE2 2.89Å; R131-E181 PolarHBondContact NH2-OE2 3.13Å; R140-E181 PolarHBondContact NH2-O 2.92Å; R140-E181 VanDerWaalsContact NH2-O 3.16Å; S177-E181 VanDerWaalsContact O-CB 3.25Å; S177-E181 WeakPolarHBondContact O-CB 3.34Å; S177-E181 VanDerWaalsContact O-CG 3.22Å; S177-E181 WeakPolarHBondContact O-CG 3.44Å; S177-E181 PolarHBondContact O-N 3.39Å |
| 182 | D | 95 | Very high | 94.9 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -85.7 | -23.1 | -169.8 | -60.6 | -15.1 | 0 | 0 | 0 | 111.5 | R131 R136 R140 L168 V178 | R131-D182 IonicContact CZ-OD1 2.78Å; R131-D182 IonicContact CZ-OD2 2.85Å; R131-D182 IonicContact NE-OD1 3.71Å; R131-D182 IonicContact NE-OD2 3.77Å; R131-D182 PolarHBondContact NE-OD2 2.93Å; R131-D182 IonicContact NH2-OD1 3.61Å; R131-D182 PolarHBondContact NH2-OD1 3.33Å; R131-D182 IonicContact NH2-OD2 2.86Å; R131-D182 PolarHBondContact NH2-OD2 3.47Å; R136-D182 WeakPolarHBondContact CD-OD1 3.46Å; R136-D182 HydrophobicContact CG-CB 4.2Å; R140-D182 PolarHBondContact NE-O 3.18Å; L168-D182 HydrophobicContact CD2-CB 4.48Å; V178-D182 WeakPolarHBondContact O-CB 3.34Å; V178-D182 PolarHBondContact O-N 2.99Å |
| 183 | F | 97 | Very high | 95.2 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -134.1 | -57.3 | -177.3 | 173.8 | -98.3 | 0 | 0 | 0 | 115.4 | L143 L144 I147 L168 Y179 A185 P186 F187 L230 | L143-F183 HydrophobicContact CB-CD2 3.98Å; L143-F183 HydrophobicContact CB-CE2 3.66Å; L143-F183 HydrophobicContact CD1-CD2 3.76Å; L143-F183 HydrophobicContact CD1-CE2 4.08Å; L143-F183 HydrophobicContact CD1-CG 4.49Å; L144-F183 HydrophobicContact CD2-CE2 4.16Å; I147-F183 HydrophobicContact CD1-CE2 4.15Å; I147-F183 HydrophobicContact CD1-CZ 3.74Å; L168-F183 HydrophobicContact CD1-CB 3.75Å; Y179-F183 HydrophobicContact CD2-CD1 4.16Å; Y179-F183 AromaticContact CE2-CD1 3.45Å; Y179-F183 HydrophobicContact CE2-CD1 3.45Å; Y179-F183 VanDerWaalsContact CE2-CD1 3.45Å; Y179-F183 AromaticContact CE2-CE1 4Å; Y179-F183 HydrophobicContact CE2-CE1 4Å; Y179-F183 HydrophobicContact CE2-CG 4.39Å; Y179-F183 AromaticContact CZ-CD1 3.74Å; Y179-F183 PolarHBondContact O-N 2.85Å; Y179-F183 VanDerWaalsContact O-N 3.1Å; F183-A185 PolarHBondContact O-N 3.32Å; F183-P186 VanDerWaalsContact O-CD 3.31Å; F183-P186 WeakPolarHBondContact O-CD 3.35Å; F183-F187 HydrophobicContact CE1-CB 4.13Å; F183-F187 HydrophobicContact CE1-CG 4.27Å; F183-F187 HydrophobicContact CE2-CB 4.28Å; F183-F187 HydrophobicContact CZ-CB 3.98Å; F183-F187 HydrophobicContact CZ-CD2 4.35Å; F183-F187 HydrophobicContact CZ-CG 4.08Å; F183-F187 VanDerWaalsContact O-CB 3.29Å; F183-F187 WeakPolarHBondContact O-CB 3.42Å; F183-F187 PolarHBondContact O-N 3.45Å; F183-L230 HydrophobicContact CE1-CD2 3.74Å; F183-L230 HydrophobicContact CZ-CD2 3.79Å |
| 184 | E | 97.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -64.7 | -46.8 | -165.8 | -170.2 | -171.2 | -155.6 | 0 | 0 | 113.1 | R176 Y179 E180 F187 L188 T234 | R176-E184 IonicContact CZ-OE1 3.73Å; R176-E184 IonicContact CZ-OE2 3.05Å; R176-E184 IonicContact NE-OE2 2.64Å; R176-E184 IonicContact NH1-OE1 2.91Å; R176-E184 IonicContact NH1-OE2 3.27Å; R176-E184 IonicContact NH2-OE1 3.8Å; R176-E184 PolarHBondContact NH2-OE1 2.99Å; R176-E184 IonicContact NH2-OE2 3.31Å; R176-E184 PolarHBondContact NH2-OE2 3.46Å; Y179-E184 HydrophobicContact CD1-CB 4.14Å; Y179-E184 HydrophobicContact CE1-CB 3.84Å; Y179-E184 HydrophobicContact CE1-CG 4.13Å; Y179-E184 PolarHBondContact O-N 3.09Å; E180-E184 PolarHBondContact O-N 3.23Å; E184-F187 CarbonylContact O-C 3.53Å; E184-F187 WeakPolarHBondContact O-CA 3.47Å; E184-F187 WeakPolarHBondContact O-CB 3.4Å; E184-F187 PolarHBondContact O-N 3.04Å; E184-F187 VanDerWaalsContact O-N 3.13Å; E184-L188 HydrophobicContact CG-CD1 3.95Å; E184-L188 HydrophobicContact CG-CG 4.26Å; E184-L188 VanDerWaalsContact O-CG 3.28Å; E184-L188 WeakPolarHBondContact O-CG 3.43Å; E184-L188 PolarHBondContact O-N 3.35Å; E184-T234 HydrophobicContact CG-CG2 3.99Å; E184-T234 WeakPolarHBondContact OE1-CA 3.42Å; E184-T234 PolarHBondContact OE1-OG1 2.95Å |
| 185 | A | 97.5 | Very high | 96.2 | Very high | 50 Ų | 50 | 38.6 Ų | 38.6 | 41% | 0.413 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.5 | -49.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E180 F183 F187 L188 E189 | E180-A185 WeakPolarHBondContact O-CB 3.5Å; E180-A185 PolarHBondContact O-N 3.21Å; F183-A185 PolarHBondContact O-N 3.32Å; A185-F187 VanDerWaalsContact C-N 3.31Å; A185-F187 PolarHBondContact O-N 3.42Å; A185-L188 PolarHBondContact O-N 2.87Å; A185-E189 PolarHBondContact O-N 3.3Å |
| 186 | P | 97.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 41 Ų | 41 | 14% | 0.143 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.5 | -38.3 | 169.6 | -25.2 | 31.3 | 0 | 0 | 0 | 114.3 | R140 L144 F183 E189 M190 | R140-P186 HydrophobicContact CG-CB 4.17Å; R140-P186 HydrophobicContact CG-CG 4.4Å; L144-P186 HydrophobicContact CD1-CB 4.16Å; F183-P186 VanDerWaalsContact O-CD 3.31Å; F183-P186 WeakPolarHBondContact O-CD 3.35Å; P186-E189 PolarHBondContact O-N 3.3Å; P186-M190 WeakPolarHBondContact O-CB 3.23Å; P186-M190 PolarHBondContact O-N 2.98Å |
| 187 | F | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 176.3 | 162.3 | -107.6 | 0 | 0 | 0 | 112 | L144 I147 F183 E184 A185 M190 S191 L230 T234 I238 | L144-F187 VanDerWaalsContact CD2-CA 3.46Å; L144-F187 HydrophobicContact CD2-CB 3.69Å; L144-F187 HydrophobicContact CD2-CD2 4.23Å; L144-F187 HydrophobicContact CD2-CG 4.48Å; I147-F187 HydrophobicContact CD1-CD2 3.89Å; I147-F187 HydrophobicContact CD1-CE2 3.97Å; I147-F187 HydrophobicContact CG2-CE2 3.98Å; F183-F187 HydrophobicContact CE1-CB 4.13Å; F183-F187 HydrophobicContact CE1-CG 4.27Å; F183-F187 HydrophobicContact CE2-CB 4.28Å; F183-F187 HydrophobicContact CZ-CB 3.98Å; F183-F187 HydrophobicContact CZ-CD2 4.35Å; F183-F187 HydrophobicContact CZ-CG 4.08Å; F183-F187 VanDerWaalsContact O-CB 3.29Å; F183-F187 WeakPolarHBondContact O-CB 3.42Å; F183-F187 PolarHBondContact O-N 3.45Å; E184-F187 CarbonylContact O-C 3.53Å; E184-F187 WeakPolarHBondContact O-CA 3.47Å; E184-F187 WeakPolarHBondContact O-CB 3.4Å; E184-F187 PolarHBondContact O-N 3.04Å; E184-F187 VanDerWaalsContact O-N 3.13Å; A185-F187 VanDerWaalsContact C-N 3.31Å; A185-F187 PolarHBondContact O-N 3.42Å; F187-M190 HydrophobicContact CD2-CE 4.48Å; F187-S191 WeakPolarHBondContact CE2-OG 3.47Å; F187-S191 WeakPolarHBondContact O-CB 3.45Å; F187-S191 PolarHBondContact O-N 2.95Å; F187-S191 PolarHBondContact O-OG 3.27Å; F187-L230 HydrophobicContact CE1-CD1 3.88Å; F187-L230 HydrophobicContact CZ-CD1 3.92Å; F187-T234 HydrophobicContact CD1-CG2 4.16Å; F187-T234 HydrophobicContact CE1-CG2 3.86Å; F187-I238 HydrophobicContact CE1-CB 4.18Å; F187-I238 HydrophobicContact CE1-CD1 3.81Å; F187-I238 HydrophobicContact CE1-CG1 3.98Å; F187-I238 HydrophobicContact CZ-CD1 3.72Å; F187-I238 HydrophobicContact CZ-CG1 3.92Å |
| 188 | L | 98.4 | Very high | 96.9 | Very high | 33 Ų | 33 | 42.4 Ų | 42.4 | 17% | 0.173 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.7 | -37.5 | 177.6 | -66.8 | 169.7 | 0 | 0 | 0 | 111.6 | E184 A185 S191 A192 P237 I238 V241 | E184-L188 HydrophobicContact CG-CD1 3.95Å; E184-L188 HydrophobicContact CG-CG 4.26Å; E184-L188 VanDerWaalsContact O-CG 3.28Å; E184-L188 WeakPolarHBondContact O-CG 3.43Å; E184-L188 PolarHBondContact O-N 3.35Å; A185-L188 PolarHBondContact O-N 2.87Å; L188-S191 PolarHBondContact O-N 3.3Å; L188-A192 WeakPolarHBondContact O-CB 3.26Å; L188-A192 PolarHBondContact O-N 3.44Å; L188-P237 HydrophobicContact CD1-CB 3.72Å; L188-P237 HydrophobicContact CD2-CB 3.9Å; L188-P237 HydrophobicContact CG-CB 4.48Å; L188-I238 HydrophobicContact CD2-CB 3.96Å; L188-I238 HydrophobicContact CD2-CD1 3.99Å; L188-V241 HydrophobicContact CB-CG2 4.37Å; L188-V241 HydrophobicContact CD2-CG2 4.07Å |
| 189 | E | 97.6 | Very high | 96.9 | Very high | 129 Ų | 129 | 42.5 Ų | 42.5 | 60% | 0.603 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -64.1 | -53.3 | 175.4 | -173.9 | 170.7 | -155.4 | 0 | 0 | 111.6 | A185 P186 S191 A192 E193 | A185-E189 PolarHBondContact O-N 3.3Å; P186-E189 PolarHBondContact O-N 3.3Å; E189-S191 PolarHBondContact O-N 3.15Å; E189-A192 WeakPolarHBondContact O-CB 3.48Å; E189-A192 PolarHBondContact O-N 3.45Å; E189-E193 PolarHBondContact O-N 3.5Å; E189-E193 VanDerWaalsContact O-N 3.07Å |
| 190 | M | 96.9 | Very high | 96.8 | Very high | 40 Ų | 40 | 48.2 Ų | 48.2 | 20% | 0.197 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.9 | -37.5 | 175.4 | -176.6 | -164.5 | 68.9 | 0 | 0 | 111.7 | L144 P186 F187 E193 F194 | L144-M190 HydrophobicContact CB-CE 4.14Å; L144-M190 HydrophobicContact CB-SD 3.73Å; L144-M190 HydrophobicContact CD1-SD 4.43Å; L144-M190 HydrophobicContact CD2-CE 3.87Å; L144-M190 HydrophobicContact CD2-SD 4.2Å; L144-M190 HydrophobicContact CG-SD 4.33Å; P186-M190 WeakPolarHBondContact O-CB 3.23Å; P186-M190 PolarHBondContact O-N 2.98Å; F187-M190 HydrophobicContact CD2-CE 4.48Å; M190-E193 PolarHBondContact O-N 3.49Å; M190-F194 WeakPolarHBondContact O-CB 3.47Å; M190-F194 PolarHBondContact O-N 3.23Å |
| 191 | S | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.7 | -38.4 | 176.6 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | R151 F187 L188 E189 F194 F195 I238 | R151-S191 PolarHBondContact NH1-OG 3.31Å; R151-S191 PolarHBondContact NH2-OG 3.34Å; F187-S191 WeakPolarHBondContact CE2-OG 3.47Å; F187-S191 WeakPolarHBondContact O-CB 3.45Å; F187-S191 PolarHBondContact O-N 2.95Å; F187-S191 PolarHBondContact O-OG 3.27Å; L188-S191 PolarHBondContact O-N 3.3Å; E189-S191 PolarHBondContact O-N 3.15Å; S191-F194 PolarHBondContact O-N 3.09Å; S191-F195 WeakPolarHBondContact O-CD2 3.42Å; S191-F195 PolarHBondContact O-N 3.23Å; S191-I238 VanDerWaalsContact CB-CD1 3.5Å |
| 192 | A | 98.1 | Very high | 96.8 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L188 E189 F195 Q196 V241 E245 | L188-A192 WeakPolarHBondContact O-CB 3.26Å; L188-A192 PolarHBondContact O-N 3.44Å; E189-A192 WeakPolarHBondContact O-CB 3.48Å; E189-A192 PolarHBondContact O-N 3.45Å; A192-F195 PolarHBondContact O-N 2.93Å; A192-Q196 VanDerWaalsContact O-CB 3.26Å; A192-Q196 WeakPolarHBondContact O-CB 3.41Å; A192-Q196 PolarHBondContact O-N 3.25Å; A192-V241 HydrophobicContact CB-CG1 3.76Å; A192-E245 HydrophobicContact CB-CG 4.3Å |
| 193 | E | 97.1 | Very high | 96.7 | Very high | 109 Ų | 109 | 46.3 Ų | 46.3 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 176 | -66.8 | -177.4 | 169.9 | 0 | 0 | 112 | E189 M190 Q196 M197 | E189-E193 PolarHBondContact O-N 3.5Å; E189-E193 VanDerWaalsContact O-N 3.07Å; M190-E193 PolarHBondContact O-N 3.49Å; E193-Q196 PolarHBondContact O-N 2.94Å; E193-M197 WeakPolarHBondContact O-CE 3.21Å; E193-M197 PolarHBondContact O-N 3.05Å; E193-M197 VanDerWaalsContact O-N 3.09Å |
| 194 | F | 96.7 | Very high | 96.5 | Very high | 43 Ų | 43 | 50.4 Ų | 50.4 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.8 | -52.8 | 175.9 | 175.2 | -93.9 | 0 | 0 | 0 | 111.7 | R151 M190 S191 Q196 M197 E198 | R151-F194 HydrophobicContact CB-CE2 4.33Å; R151-F194 HydrophobicContact CB-CZ 4.05Å; M190-F194 WeakPolarHBondContact O-CB 3.47Å; M190-F194 PolarHBondContact O-N 3.23Å; S191-F194 PolarHBondContact O-N 3.09Å; F194-Q196 VanDerWaalsContact C-N 3.31Å; F194-Q196 PolarHBondContact O-N 3.14Å; F194-M197 PolarHBondContact O-N 3.02Å; F194-E198 WeakPolarHBondContact O-CB 3.42Å; F194-E198 PolarHBondContact O-N 2.85Å |
| 195 | F | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70 | -28.2 | -179 | -70 | -54.8 | 0 | 0 | 0 | 112.8 | S191 A192 E198 S199 R218 E222 V241 V242 E245 L246 | S191-F195 WeakPolarHBondContact O-CD2 3.42Å; S191-F195 PolarHBondContact O-N 3.23Å; A192-F195 PolarHBondContact O-N 2.93Å; F195-E198 PolarHBondContact O-N 3.41Å; F195-S199 VanDerWaalsContact O-CB 3.29Å; F195-S199 WeakPolarHBondContact O-CB 3.4Å; F195-S199 PolarHBondContact O-N 2.89Å; F195-S199 PolarHBondContact O-OG 2.93Å; F195-R218 HydrophobicContact CE1-CB 4.22Å; F195-R218 HydrophobicContact CE1-CG 4.23Å; F195-E222 HydrophobicContact CE2-CG 4.2Å; F195-E222 HydrophobicContact CZ-CG 3.75Å; F195-E222 WeakPolarHBondContact CZ-OE1 3.41Å; F195-V241 HydrophobicContact CD2-CG1 4.4Å; F195-V242 HydrophobicContact CD2-CG2 3.94Å; F195-V242 HydrophobicContact CE1-CG2 4.45Å; F195-V242 HydrophobicContact CE2-CG2 3.44Å; F195-V242 VanDerWaalsContact CE2-CG2 3.44Å; F195-V242 HydrophobicContact CZ-CG2 3.74Å; F195-E245 HydrophobicContact CB-CB 3.72Å; F195-E245 HydrophobicContact CB-CG 4.26Å; F195-L246 HydrophobicContact CB-CD2 3.98Å; F195-L246 HydrophobicContact CB-CG 4.22Å; F195-L246 HydrophobicContact CD1-CD1 3.92Å; F195-L246 HydrophobicContact CD1-CD2 4.25Å; F195-L246 HydrophobicContact CD1-CG 4.23Å; F195-L246 HydrophobicContact CE1-CD1 4.42Å; F195-L246 HydrophobicContact CG-CG 4.44Å; F195-L246 VanDerWaalsContact O-CD2 3.31Å; F195-L246 WeakPolarHBondContact O-CD2 3.47Å |
| 196 | Q | 97.3 | Very high | 96.2 | Very high | 90 Ų | 90 | 55 Ų | 55 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.8 | -50 | 171.9 | -175 | -179.9 | 19.3 | 0 | 0 | 110.9 | A192 E193 F194 S199 Q200 | A192-Q196 VanDerWaalsContact O-CB 3.26Å; A192-Q196 WeakPolarHBondContact O-CB 3.41Å; A192-Q196 PolarHBondContact O-N 3.25Å; E193-Q196 PolarHBondContact O-N 2.94Å; F194-Q196 VanDerWaalsContact C-N 3.31Å; F194-Q196 PolarHBondContact O-N 3.14Å; Q196-S199 PolarHBondContact O-N 3.44Å; Q196-S199 PolarHBondContact O-OG 3.45Å; Q196-Q200 PolarHBondContact O-N 3.03Å |
| 197 | M | 95.8 | Very high | 96 | Very high | 124 Ų | 124 | 56.2 Ų | 56.2 | 61% | 0.611 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 176.5 | -70.5 | -176.6 | -80.9 | 0 | 0 | 111.8 | E193 F194 S199 Q200 K201 | E193-M197 WeakPolarHBondContact O-CE 3.21Å; E193-M197 PolarHBondContact O-N 3.05Å; E193-M197 VanDerWaalsContact O-N 3.09Å; F194-M197 PolarHBondContact O-N 3.02Å; M197-S199 PolarHBondContact O-N 3.32Å; M197-Q200 PolarHBondContact O-N 2.91Å; M197-K201 PolarHBondContact O-N 2.6Å |
| 198 | E | 95.3 | Very high | 95.8 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.2 | -38.8 | -179.8 | -173.5 | 165.8 | -115.5 | 0 | 0 | 112.3 | F194 F195 Q200 K201 F202 R218 | F194-E198 WeakPolarHBondContact O-CB 3.42Å; F194-E198 PolarHBondContact O-N 2.85Å; F195-E198 PolarHBondContact O-N 3.41Å; E198-Q200 VanDerWaalsContact C-N 3.32Å; E198-Q200 PolarHBondContact O-N 2.78Å; E198-K201 PolarHBondContact O-N 2.94Å; E198-F202 HydrophobicContact CG-CD1 3.91Å; E198-F202 HydrophobicContact CG-CD2 4.1Å; E198-F202 HydrophobicContact CG-CE1 3.53Å; E198-F202 HydrophobicContact CG-CE2 3.71Å; E198-F202 HydrophobicContact CG-CG 4.19Å; E198-F202 HydrophobicContact CG-CZ 3.42Å; E198-F202 VanDerWaalsContact CG-CZ 3.42Å; E198-F202 WeakPolarHBondContact O-CB 3.38Å; E198-F202 WeakPolarHBondContact O-CG 3.29Å; E198-F202 PolarHBondContact O-N 3.19Å; E198-F202 WeakPolarHBondContact OE1-CZ 3.48Å; E198-R218 IonicContact OE1-CZ 2.74Å; E198-R218 IonicContact OE1-NE 3.35Å; E198-R218 PolarHBondContact OE1-NE 3Å; E198-R218 IonicContact OE1-NH2 3.49Å; E198-R218 PolarHBondContact OE1-NH2 3.47Å; E198-R218 IonicContact OE2-CZ 3.39Å; E198-R218 IonicContact OE2-NE 2.73Å; E198-R218 PolarHBondContact OE2-NE 3.18Å; E198-R218 IonicContact OE2-NH2 3.88Å |
| 199 | S | 95.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 177.3 | 71.6 | 0 | 0 | 0 | 0 | 112.2 | F195 Q196 M197 F202 L203 H250 | F195-S199 VanDerWaalsContact O-CB 3.29Å; F195-S199 WeakPolarHBondContact O-CB 3.4Å; F195-S199 PolarHBondContact O-N 2.89Å; F195-S199 PolarHBondContact O-OG 2.93Å; Q196-S199 PolarHBondContact O-N 3.44Å; Q196-S199 PolarHBondContact O-OG 3.45Å; M197-S199 PolarHBondContact O-N 3.32Å; S199-F202 PolarHBondContact O-N 2.92Å; S199-L203 WeakPolarHBondContact O-CB 3.38Å; S199-L203 VanDerWaalsContact O-CG 3.25Å; S199-L203 WeakPolarHBondContact O-CG 3.48Å; S199-L203 PolarHBondContact O-N 3.45Å; S199-H250 VanDerWaalsContact CB-NE2 3.3Å; S199-H250 WeakPolarHBondContact CB-NE2 3.46Å; S199-H250 PolarHBondContact OG-NE2 2.79Å |
| 200 | Q | 94.9 | Very high | 95.4 | Very high | 120 Ų | 120 | 52.1 Ų | 52.1 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.8 | -44.6 | 179.7 | -66.1 | 179.2 | 2 | 0 | 0 | 111.1 | Q196 M197 E198 L203 A204 | Q196-Q200 PolarHBondContact O-N 3.03Å; M197-Q200 PolarHBondContact O-N 2.91Å; E198-Q200 VanDerWaalsContact C-N 3.32Å; E198-Q200 PolarHBondContact O-N 2.78Å; Q200-L203 PolarHBondContact O-N 2.62Å; Q200-A204 WeakPolarHBondContact O-CB 3.33Å; Q200-A204 PolarHBondContact O-N 2.81Å; Q200-A204 VanDerWaalsContact O-N 3.07Å |
| 201 | K | 95.3 | Very high | 95.3 | Very high | 117 Ų | 117 | 50.2 Ų | 50.2 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 175.4 | -175.5 | 179 | -179.7 | -179.7 | 0 | 111.3 | M197 E198 L203 A204 E205 | M197-K201 PolarHBondContact O-N 2.6Å; E198-K201 PolarHBondContact O-N 2.94Å; K201-L203 PolarHBondContact O-N 3.1Å; K201-A204 PolarHBondContact O-N 3.04Å; K201-E205 VanDerWaalsContact CE-CD 3.48Å; K201-E205 WeakPolarHBondContact CE-OE1 3.24Å; K201-E205 WeakPolarHBondContact CE-OE2 3.48Å; K201-E205 HydrophobicContact CG-CG 4.41Å; K201-E205 WeakPolarHBondContact CG-OE1 3.37Å; K201-E205 WeakPolarHBondContact O-CB 3.3Å; K201-E205 WeakPolarHBondContact O-CG 3.39Å; K201-E205 PolarHBondContact O-N 3.36Å |
| 202 | F | 95.4 | Very high | 95.1 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | -179.3 | -76.9 | 5.7 | 0 | 0 | 0 | 112 | E198 S199 A204 N206 Y211 K214 | E198-F202 HydrophobicContact CG-CD1 3.91Å; E198-F202 HydrophobicContact CG-CD2 4.1Å; E198-F202 HydrophobicContact CG-CE1 3.53Å; E198-F202 HydrophobicContact CG-CE2 3.71Å; E198-F202 HydrophobicContact CG-CG 4.19Å; E198-F202 HydrophobicContact CG-CZ 3.42Å; E198-F202 VanDerWaalsContact CG-CZ 3.42Å; E198-F202 WeakPolarHBondContact O-CB 3.38Å; E198-F202 WeakPolarHBondContact O-CG 3.29Å; E198-F202 PolarHBondContact O-N 3.19Å; E198-F202 WeakPolarHBondContact OE1-CZ 3.48Å; S199-F202 PolarHBondContact O-N 2.92Å; F202-A204 VanDerWaalsContact C-N 3.33Å; F202-A204 PolarHBondContact O-N 3.3Å; F202-N206 WeakPolarHBondContact CA-ND2 3.48Å; F202-N206 VanDerWaalsContact O-CB 3.27Å; F202-N206 WeakPolarHBondContact O-CB 3.39Å; F202-N206 PolarHBondContact O-N 2.75Å; F202-N206 VanDerWaalsContact O-N 3.14Å; F202-N206 PolarHBondContact O-ND2 3.34Å; F202-Y211 HydrophobicContact CB-CD2 3.5Å; F202-Y211 VanDerWaalsContact CB-CD2 3.5Å; F202-Y211 HydrophobicContact CB-CE2 3.47Å; F202-Y211 VanDerWaalsContact CB-CE2 3.47Å; F202-Y211 HydrophobicContact CD2-CE2 4.48Å; F202-K214 HydrophobicContact CD1-CD 4.16Å; F202-K214 HydrophobicContact CD2-CB 3.91Å; F202-K214 HydrophobicContact CD2-CD 4.16Å; F202-K214 HydrophobicContact CE1-CD 3.99Å; F202-K214 HydrophobicContact CE2-CB 3.56Å; F202-K214 HydrophobicContact CE2-CD 4Å; F202-K214 HydrophobicContact CE2-CG 4.34Å; F202-K214 HydrophobicContact CG-CD 4.24Å; F202-K214 HydrophobicContact CZ-CB 4.13Å; F202-K214 HydrophobicContact CZ-CD 3.9Å; F202-K214 HydrophobicContact CZ-CG 4.48Å |
| 203 | L | 94 | Very high | 94.9 | Very high | 36 Ų | 36 | 55.7 Ų | 55.7 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.4 | -35.4 | 176.8 | -71.3 | 168.7 | 0 | 0 | 0 | 112.7 | S199 Q200 K201 Y211 H250 T253 I254 M257 | S199-L203 WeakPolarHBondContact O-CB 3.38Å; S199-L203 VanDerWaalsContact O-CG 3.25Å; S199-L203 WeakPolarHBondContact O-CG 3.48Å; S199-L203 PolarHBondContact O-N 3.45Å; Q200-L203 PolarHBondContact O-N 2.62Å; K201-L203 PolarHBondContact O-N 3.1Å; L203-Y211 HydrophobicContact CD2-CD2 3.89Å; L203-Y211 HydrophobicContact CD2-CE2 3.66Å; L203-Y211 HydrophobicContact CG-CD2 4.16Å; L203-Y211 HydrophobicContact CG-CE2 3.63Å; L203-H250 HydrophobicContact CD1-CB 4.15Å; L203-T253 HydrophobicContact CD1-CG2 4.49Å; L203-T253 HydrophobicContact CD2-CG2 4.26Å; L203-I254 HydrophobicContact CD2-CG1 3.98Å; L203-M257 HydrophobicContact CD2-CE 3.67Å |
| 204 | A | 93.4 | Very high | 94.9 | Very high | 87 Ų | 87 | 53.8 Ų | 53.8 | 72% | 0.719 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -75.1 | -35.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q200 K201 F202 | Q200-A204 WeakPolarHBondContact O-CB 3.33Å; Q200-A204 PolarHBondContact O-N 2.81Å; Q200-A204 VanDerWaalsContact O-N 3.07Å; K201-A204 PolarHBondContact O-N 3.04Å; F202-A204 VanDerWaalsContact C-N 3.33Å; F202-A204 PolarHBondContact O-N 3.3Å |
| 205 | E | 93.8 | Very high | 94.8 | Very high | 123 Ų | 123 | 51.8 Ų | 51.8 | 58% | 0.575 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -101.4 | -10.8 | -169.2 | -65.7 | 174.9 | 178.1 | 0 | 0 | 114.3 | K201 | K201-E205 VanDerWaalsContact CE-CD 3.48Å; K201-E205 WeakPolarHBondContact CE-OE1 3.24Å; K201-E205 WeakPolarHBondContact CE-OE2 3.48Å; K201-E205 HydrophobicContact CG-CG 4.41Å; K201-E205 WeakPolarHBondContact CG-OE1 3.37Å; K201-E205 WeakPolarHBondContact O-CB 3.3Å; K201-E205 WeakPolarHBondContact O-CG 3.39Å; K201-E205 PolarHBondContact O-N 3.36Å |
| 206 | N | 93.5 | Very high | 94.7 | Very high | 29 Ų | 29 | 56 Ų | 56 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -132.3 | 152.3 | -166.9 | -53.3 | -94.3 | 0 | 0 | 0 | 112.6 | F202 V210 K214 | F202-N206 WeakPolarHBondContact CA-ND2 3.48Å; F202-N206 VanDerWaalsContact O-CB 3.27Å; F202-N206 WeakPolarHBondContact O-CB 3.39Å; F202-N206 PolarHBondContact O-N 2.75Å; F202-N206 VanDerWaalsContact O-N 3.14Å; F202-N206 PolarHBondContact O-ND2 3.34Å; N206-V210 HydrophobicContact CB-CB 4.07Å; N206-V210 HydrophobicContact CB-CG1 3.9Å; N206-V210 WeakPolarHBondContact OD1-CG1 3.27Å; N206-K214 PolarHBondContact OD1-NZ 3.33Å |
| 207 | S | 93.9 | Very high | 94.6 | Very high | 49 Ų | 49 | 53.7 Ų | 53.7 | 34% | 0.343 | 28% | 0.282 | S | S | . | . | trans | -72.8 | 161.1 | 167.1 | 66 | 0 | 0 | 0 | 0 | 111.2 | S209 V210 Y211 | S207-S209 VanDerWaalsContact C-N 3.29Å; S207-S209 PolarHBondContact O-N 2.72Å; S207-V210 PolarHBondContact O-N 3.23Å; S207-V210 VanDerWaalsContact O-N 3.07Å; S207-V210 WeakPolarHBondContact OG-CG2 3.46Å; S207-Y211 WeakPolarHBondContact O-CB 3.41Å; S207-Y211 PolarHBondContact O-N 2.87Å | ||
| 208 | A | 93.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.6 | -42.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | V210 Y211 I212 I254 M257 S260 M265 M277 | A208-V210 PolarHBondContact O-N 3.14Å; A208-Y211 WeakPolarHBondContact O-CB 3.33Å; A208-Y211 PolarHBondContact O-N 2.68Å; A208-I212 WeakPolarHBondContact O-CD1 3.39Å; A208-I212 WeakPolarHBondContact O-CG1 3.37Å; A208-I212 PolarHBondContact O-N 2.71Å; A208-I254 HydrophobicContact CB-CG2 4.4Å; A208-M257 HydrophobicContact CB-CB 4.42Å; A208-M257 HydrophobicContact CB-SD 3.96Å; A208-M257 PolarHBondContact N-SD 2.98Å; A208-S260 WeakPolarHBondContact CB-O 3.36Å; A208-S260 PolarHBondContact N-OG 3.11Å; A208-S260 VanDerWaalsContact N-OG 3.14Å; A208-M265 HydrophobicContact CB-CE 3.97Å; A208-M277 HydrophobicContact CB-CE 4.32Å |
| 209 | S | 91.9 | Very high | 94.7 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 178.5 | -45.6 | 0 | 0 | 0 | 0 | 112.5 | S207 K213 M265 D273 | S207-S209 VanDerWaalsContact C-N 3.29Å; S207-S209 PolarHBondContact O-N 2.72Å; S209-K213 WeakPolarHBondContact O-CG 3.42Å; S209-K213 PolarHBondContact O-N 3.42Å; S209-M265 WeakPolarHBondContact OG-CE 3.36Å; S209-D273 PolarHBondContact OG-OD2 2.85Å |
| 210 | V | 94.3 | Very high | 94.7 | Very high | 61 Ų | 61 | 52.1 Ų | 52.1 | 37% | 0.37 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.8 | -40.6 | 178.1 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | N206 S207 A208 I212 K213 K214 | N206-V210 HydrophobicContact CB-CB 4.07Å; N206-V210 HydrophobicContact CB-CG1 3.9Å; N206-V210 WeakPolarHBondContact OD1-CG1 3.27Å; S207-V210 PolarHBondContact O-N 3.23Å; S207-V210 VanDerWaalsContact O-N 3.07Å; S207-V210 WeakPolarHBondContact OG-CG2 3.46Å; A208-V210 PolarHBondContact O-N 3.14Å; V210-I212 PolarHBondContact O-N 2.96Å; V210-K213 PolarHBondContact O-N 3.04Å; V210-K214 HydrophobicContact CG1-CD 4.35Å; V210-K214 WeakPolarHBondContact O-CG 3.46Å; V210-K214 PolarHBondContact O-N 2.85Å |
| 211 | Y | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.6 | -52.5 | 173.3 | -176.3 | -83.5 | 0 | 0 | 0 | 110.9 | F202 L203 S207 A208 K213 K214 V215 L246 I254 | F202-Y211 HydrophobicContact CB-CD2 3.5Å; F202-Y211 VanDerWaalsContact CB-CD2 3.5Å; F202-Y211 HydrophobicContact CB-CE2 3.47Å; F202-Y211 VanDerWaalsContact CB-CE2 3.47Å; F202-Y211 HydrophobicContact CD2-CE2 4.48Å; L203-Y211 HydrophobicContact CD2-CD2 3.89Å; L203-Y211 HydrophobicContact CD2-CE2 3.66Å; L203-Y211 HydrophobicContact CG-CD2 4.16Å; L203-Y211 HydrophobicContact CG-CE2 3.63Å; S207-Y211 WeakPolarHBondContact O-CB 3.41Å; S207-Y211 PolarHBondContact O-N 2.87Å; A208-Y211 WeakPolarHBondContact O-CB 3.33Å; A208-Y211 PolarHBondContact O-N 2.68Å; Y211-K213 VanDerWaalsContact C-N 3.33Å; Y211-K213 PolarHBondContact O-N 3.41Å; Y211-K214 PolarHBondContact O-N 3.05Å; Y211-K214 VanDerWaalsContact O-N 3.11Å; Y211-V215 HydrophobicContact CD1-CG2 3.81Å; Y211-V215 HydrophobicContact CE1-CG2 3.4Å; Y211-V215 VanDerWaalsContact CE1-CG2 3.4Å; Y211-V215 WeakPolarHBondContact O-CG2 3.45Å; Y211-V215 PolarHBondContact O-N 3.32Å; Y211-L246 WeakPolarHBondContact CE1-O 3.36Å; Y211-L246 PolarHBondContact OH-O 2.71Å; Y211-I254 HydrophobicContact CD1-CD1 3.88Å; Y211-I254 HydrophobicContact CD1-CG1 4.08Å; Y211-I254 HydrophobicContact CE1-CD1 3.35Å; Y211-I254 HydrophobicContact CE1-CG1 3.92Å |
| 212 | I | 94.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.7 | -46.6 | -179.8 | -71.1 | 160.2 | 0 | 0 | 0 | 111.5 | A208 V210 K214 V215 E216 C276 M277 L280 | A208-I212 WeakPolarHBondContact O-CD1 3.39Å; A208-I212 WeakPolarHBondContact O-CG1 3.37Å; A208-I212 PolarHBondContact O-N 2.71Å; V210-I212 PolarHBondContact O-N 2.96Å; I212-K214 VanDerWaalsContact C-N 3.35Å; I212-K214 PolarHBondContact O-N 3.17Å; I212-V215 PolarHBondContact O-N 2.86Å; I212-E216 PolarHBondContact O-N 2.74Å; I212-C276 HydrophobicContact CG2-CB 3.93Å; I212-M277 HydrophobicContact CD1-CB 3.7Å; I212-M277 HydrophobicContact CD1-CE 3.81Å; I212-M277 HydrophobicContact CD1-CG 3.99Å; I212-L280 HydrophobicContact CB-CD2 4.17Å; I212-L280 HydrophobicContact CG1-CD2 3.8Å; I212-L280 HydrophobicContact CG2-CB 4.25Å; I212-L280 HydrophobicContact CG2-CD2 4.02Å |
| 213 | K | 94.1 | Very high | 94.9 | Very high | 123 Ų | 123 | 45.4 Ų | 45.4 | 54% | 0.535 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 178.3 | -72 | 179.1 | -179.8 | -178.7 | 0 | 112.4 | S209 V210 Y211 E216 A217 | S209-K213 WeakPolarHBondContact O-CG 3.42Å; S209-K213 PolarHBondContact O-N 3.42Å; V210-K213 PolarHBondContact O-N 3.04Å; Y211-K213 VanDerWaalsContact C-N 3.33Å; Y211-K213 PolarHBondContact O-N 3.41Å; K213-E216 PolarHBondContact O-N 3.03Å; K213-A217 WeakPolarHBondContact O-CB 3.49Å; K213-A217 PolarHBondContact O-N 3.31Å |
| 214 | K | 95.3 | Very high | 94.9 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 176.2 | -74.9 | -177.1 | 168.5 | -179.7 | 0 | 112.1 | F202 N206 V210 Y211 I212 A217 R218 | F202-K214 HydrophobicContact CD1-CD 4.16Å; F202-K214 HydrophobicContact CD2-CB 3.91Å; F202-K214 HydrophobicContact CD2-CD 4.16Å; F202-K214 HydrophobicContact CE1-CD 3.99Å; F202-K214 HydrophobicContact CE2-CB 3.56Å; F202-K214 HydrophobicContact CE2-CD 4Å; F202-K214 HydrophobicContact CE2-CG 4.34Å; F202-K214 HydrophobicContact CG-CD 4.24Å; F202-K214 HydrophobicContact CZ-CB 4.13Å; F202-K214 HydrophobicContact CZ-CD 3.9Å; F202-K214 HydrophobicContact CZ-CG 4.48Å; N206-K214 PolarHBondContact OD1-NZ 3.33Å; V210-K214 HydrophobicContact CG1-CD 4.35Å; V210-K214 WeakPolarHBondContact O-CG 3.46Å; V210-K214 PolarHBondContact O-N 2.85Å; Y211-K214 PolarHBondContact O-N 3.05Å; Y211-K214 VanDerWaalsContact O-N 3.11Å; I212-K214 VanDerWaalsContact C-N 3.35Å; I212-K214 PolarHBondContact O-N 3.17Å; K214-A217 PolarHBondContact O-N 3.28Å; K214-R218 WeakPolarHBondContact O-CG 3.38Å; K214-R218 PolarHBondContact O-N 3.33Å |
| 215 | V | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 174.9 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | Y211 I212 A217 R218 I219 L246 I247 L280 | Y211-V215 HydrophobicContact CD1-CG2 3.81Å; Y211-V215 HydrophobicContact CE1-CG2 3.4Å; Y211-V215 VanDerWaalsContact CE1-CG2 3.4Å; Y211-V215 WeakPolarHBondContact O-CG2 3.45Å; Y211-V215 PolarHBondContact O-N 3.32Å; I212-V215 PolarHBondContact O-N 2.86Å; V215-A217 VanDerWaalsContact C-N 3.33Å; V215-A217 PolarHBondContact O-N 3.02Å; V215-R218 PolarHBondContact O-N 2.87Å; V215-I219 HydrophobicContact CG1-CD1 4.13Å; V215-I219 WeakPolarHBondContact O-CG1 3.46Å; V215-I219 PolarHBondContact O-N 2.92Å; V215-L246 HydrophobicContact CB-CD1 4.43Å; V215-L246 HydrophobicContact CG1-CB 3.88Å; V215-L246 HydrophobicContact CG1-CD1 4.11Å; V215-L246 HydrophobicContact CG2-CB 3.85Å; V215-L246 HydrophobicContact CG2-CD1 4.09Å; V215-I247 HydrophobicContact CG1-CD1 4.15Å; V215-I247 HydrophobicContact CG1-CG1 3.84Å; V215-L280 HydrophobicContact CB-CD1 4.32Å; V215-L280 HydrophobicContact CB-CD2 4.46Å; V215-L280 HydrophobicContact CG1-CD1 3.8Å; V215-L280 HydrophobicContact CG1-CD2 4.47Å |
| 216 | E | 94.8 | Very high | 95.2 | Very high | 89 Ų | 89 | 39.2 Ų | 39.2 | 42% | 0.416 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61 | -42.3 | 176.2 | -174.1 | 170.6 | -145.9 | 0 | 0 | 111.9 | I212 K213 I219 N220 | I212-E216 PolarHBondContact O-N 2.74Å; K213-E216 PolarHBondContact O-N 3.03Å; E216-I219 PolarHBondContact O-N 3.35Å; E216-N220 PolarHBondContact O-N 3.28Å; E216-N220 VanDerWaalsContact O-N 3.11Å; E216-N220 PolarHBondContact O-ND2 3.07Å |
| 217 | A | 95.5 | Very high | 95.2 | Very high | 41 Ų | 41 | 44.4 Ų | 44.4 | 34% | 0.339 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K213 K214 V215 I219 N220 E221 | K213-A217 WeakPolarHBondContact O-CB 3.49Å; K213-A217 PolarHBondContact O-N 3.31Å; K214-A217 PolarHBondContact O-N 3.28Å; V215-A217 VanDerWaalsContact C-N 3.33Å; V215-A217 PolarHBondContact O-N 3.02Å; A217-I219 PolarHBondContact O-N 3.4Å; A217-N220 PolarHBondContact O-N 2.91Å; A217-E221 VanDerWaalsContact O-CG 3.31Å; A217-E221 WeakPolarHBondContact O-CG 3.36Å; A217-E221 PolarHBondContact O-N 3.34Å |
| 218 | R | 96.2 | Very high | 95.2 | Very high | 36 Ų | 36 | 46.4 Ų | 46.4 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 177.4 | -73.2 | -54.1 | -164.1 | -167 | -0.7 | 113 | F195 E198 K214 V215 N220 E221 E222 L246 | F195-R218 HydrophobicContact CE1-CB 4.22Å; F195-R218 HydrophobicContact CE1-CG 4.23Å; E198-R218 IonicContact OE1-CZ 2.74Å; E198-R218 IonicContact OE1-NE 3.35Å; E198-R218 PolarHBondContact OE1-NE 3Å; E198-R218 IonicContact OE1-NH2 3.49Å; E198-R218 PolarHBondContact OE1-NH2 3.47Å; E198-R218 IonicContact OE2-CZ 3.39Å; E198-R218 IonicContact OE2-NE 2.73Å; E198-R218 PolarHBondContact OE2-NE 3.18Å; E198-R218 IonicContact OE2-NH2 3.88Å; K214-R218 WeakPolarHBondContact O-CG 3.38Å; K214-R218 PolarHBondContact O-N 3.33Å; V215-R218 PolarHBondContact O-N 2.87Å; R218-N220 VanDerWaalsContact C-N 3.33Å; R218-N220 PolarHBondContact O-N 3.36Å; R218-E221 VanDerWaalsContact CD-OE2 3.29Å; R218-E221 WeakPolarHBondContact CD-OE2 3.27Å; R218-E221 IonicContact CZ-OE2 3.2Å; R218-E221 IonicContact NE-OE2 2.59Å; R218-E221 IonicContact NH1-OE2 3.2Å; R218-E221 PolarHBondContact NH1-OE2 3.16Å; R218-E221 PolarHBondContact O-N 3.04Å; R218-E222 WeakPolarHBondContact O-CG 3.33Å; R218-E222 PolarHBondContact O-N 3.02Å; R218-L246 HydrophobicContact CB-CD1 4.17Å; R218-L246 HydrophobicContact CG-CD1 4.41Å |
| 219 | I | 96.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59 | -47.4 | 175.1 | -68.9 | 168.5 | 0 | 0 | 0 | 110.3 | V215 E216 A217 E222 I223 V242 E243 I247 L280 | V215-I219 HydrophobicContact CG1-CD1 4.13Å; V215-I219 WeakPolarHBondContact O-CG1 3.46Å; V215-I219 PolarHBondContact O-N 2.92Å; E216-I219 PolarHBondContact O-N 3.35Å; A217-I219 PolarHBondContact O-N 3.4Å; I219-E222 PolarHBondContact O-N 3.33Å; I219-I223 HydrophobicContact CG2-CD1 3.83Å; I219-I223 VanDerWaalsContact O-CG1 3.32Å; I219-I223 WeakPolarHBondContact O-CG1 3.4Å; I219-I223 PolarHBondContact O-N 3.12Å; I219-V242 HydrophobicContact CG1-CB 4.37Å; I219-V242 HydrophobicContact CG1-CG1 3.61Å; I219-E243 HydrophobicContact CD1-CG 4.45Å; I219-I247 HydrophobicContact CD1-CD1 4.44Å; I219-L280 HydrophobicContact CD1-CD1 4.43Å |
| 220 | N | 96.3 | Very high | 95.3 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.9 | -42 | -179.9 | -66.6 | -28 | 0 | 0 | 0 | 112.1 | E216 A217 R218 E222 I223 E224 | E216-N220 PolarHBondContact O-N 3.28Å; E216-N220 VanDerWaalsContact O-N 3.11Å; E216-N220 PolarHBondContact O-ND2 3.07Å; A217-N220 PolarHBondContact O-N 2.91Å; R218-N220 VanDerWaalsContact C-N 3.33Å; R218-N220 PolarHBondContact O-N 3.36Å; N220-E222 VanDerWaalsContact C-N 3.34Å; N220-E222 PolarHBondContact O-N 3.01Å; N220-I223 PolarHBondContact O-N 2.98Å; N220-E224 WeakPolarHBondContact O-CB 3.29Å; N220-E224 WeakPolarHBondContact O-CG 3.47Å; N220-E224 PolarHBondContact O-N 3.08Å |
| 221 | E | 95.6 | Very high | 95.4 | Very high | 73 Ų | 73 | 46.1 Ų | 46.1 | 34% | 0.341 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 176 | -72.8 | 169.8 | -163.4 | 0 | 0 | 112.3 | A217 R218 R225 | A217-E221 VanDerWaalsContact O-CG 3.31Å; A217-E221 WeakPolarHBondContact O-CG 3.36Å; A217-E221 PolarHBondContact O-N 3.34Å; R218-E221 VanDerWaalsContact CD-OE2 3.29Å; R218-E221 WeakPolarHBondContact CD-OE2 3.27Å; R218-E221 IonicContact CZ-OE2 3.2Å; R218-E221 IonicContact NE-OE2 2.59Å; R218-E221 IonicContact NH1-OE2 3.2Å; R218-E221 PolarHBondContact NH1-OE2 3.16Å; R218-E221 PolarHBondContact O-N 3.04Å; E221-R225 WeakPolarHBondContact O-CB 3.3Å; E221-R225 PolarHBondContact O-N 3.41Å |
| 222 | E | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 175.6 | -65.5 | -60.6 | 133.1 | 0 | 0 | 112.3 | R151 F195 R218 I219 N220 R225 V226 I238 V242 | R151-E222 IonicContact CZ-OE1 3.04Å; R151-E222 IonicContact CZ-OE2 3.24Å; R151-E222 IonicContact NE-OE1 2.84Å; R151-E222 PolarHBondContact NE-OE1 3.26Å; R151-E222 IonicContact NE-OE2 2.67Å; R151-E222 IonicContact NH2-OE1 2.64Å; R151-E222 PolarHBondContact NH2-OE1 3.5Å; R151-E222 VanDerWaalsContact NH2-OE1 3.1Å; R151-E222 IonicContact NH2-OE2 3.9Å; R151-E222 PolarHBondContact NH2-OE2 3.03Å; F195-E222 HydrophobicContact CE2-CG 4.2Å; F195-E222 HydrophobicContact CZ-CG 3.75Å; F195-E222 WeakPolarHBondContact CZ-OE1 3.41Å; R218-E222 WeakPolarHBondContact O-CG 3.33Å; R218-E222 PolarHBondContact O-N 3.02Å; I219-E222 PolarHBondContact O-N 3.33Å; N220-E222 VanDerWaalsContact C-N 3.34Å; N220-E222 PolarHBondContact O-N 3.01Å; E222-R225 PolarHBondContact O-N 2.92Å; E222-R225 IonicContact OE1-CZ 2.78Å; E222-R225 IonicContact OE1-NH1 3.35Å; E222-R225 PolarHBondContact OE1-NH1 3.22Å; E222-R225 IonicContact OE1-NH2 3.38Å; E222-R225 IonicContact OE2-CZ 2.67Å; E222-R225 IonicContact OE2-NH1 2.88Å; E222-R225 PolarHBondContact OE2-NH1 3.3Å; E222-V226 WeakPolarHBondContact O-CG2 3.45Å; E222-V226 PolarHBondContact O-N 3.5Å; E222-I238 HydrophobicContact CB-CG1 4.18Å; E222-I238 HydrophobicContact CB-CG2 4.44Å; E222-I238 HydrophobicContact CG-CG1 4.17Å; E222-I238 WeakPolarHBondContact OE2-CG1 3.29Å; E222-V242 HydrophobicContact CG-CG2 3.8Å |
| 223 | I | 96.5 | Very high | 95.4 | Very high | 40 Ų | 40 | 56 Ų | 56 | 21% | 0.205 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 175.1 | -68.7 | 167 | 0 | 0 | 0 | 110.3 | I219 N220 R225 V226 M227 E235 V239 | I219-I223 HydrophobicContact CG2-CD1 3.83Å; I219-I223 VanDerWaalsContact O-CG1 3.32Å; I219-I223 WeakPolarHBondContact O-CG1 3.4Å; I219-I223 PolarHBondContact O-N 3.12Å; N220-I223 PolarHBondContact O-N 2.98Å; I223-R225 VanDerWaalsContact C-N 3.31Å; I223-R225 PolarHBondContact O-N 2.55Å; I223-V226 PolarHBondContact O-N 3.05Å; I223-M227 HydrophobicContact CG2-SD 4.45Å; I223-M227 WeakPolarHBondContact O-CG 3.16Å; I223-M227 PolarHBondContact O-N 2.85Å; I223-E235 HydrophobicContact CG1-CG 4.29Å; I223-V239 HydrophobicContact CD1-CG2 4.17Å; I223-V239 HydrophobicContact CG1-CG2 3.74Å |
| 224 | E | 95.4 | Very high | 95.6 | Very high | 106 Ų | 106 | 50.2 Ų | 50.2 | 50% | 0.495 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 175.9 | -75.4 | -176.9 | -177 | 0 | 0 | 111.4 | N220 V226 M227 H228 | N220-E224 WeakPolarHBondContact O-CB 3.29Å; N220-E224 WeakPolarHBondContact O-CG 3.47Å; N220-E224 PolarHBondContact O-N 3.08Å; E224-V226 VanDerWaalsContact C-N 3.32Å; E224-V226 PolarHBondContact O-N 3.02Å; E224-M227 PolarHBondContact O-N 3.05Å; E224-H228 PolarHBondContact O-N 3.45Å; E224-H228 PolarHBondContact O-ND1 3.1Å |
| 225 | R | 95.1 | Very high | 95.7 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 4% | 0.038 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 176.5 | -177.1 | 179.4 | -59.9 | 92.7 | 5 | 111.7 | E150 E221 E222 I223 M227 H228 C229 | E150-R225 IonicContact OE2-CZ 3.8Å; E150-R225 IonicContact OE2-NE 2.69Å; E150-R225 PolarHBondContact OE2-NE 2.83Å; E150-R225 IonicContact OE2-NH2 3.95Å; E221-R225 WeakPolarHBondContact O-CB 3.3Å; E221-R225 PolarHBondContact O-N 3.41Å; E222-R225 PolarHBondContact O-N 2.92Å; E222-R225 IonicContact OE1-CZ 2.78Å; E222-R225 IonicContact OE1-NH1 3.35Å; E222-R225 PolarHBondContact OE1-NH1 3.22Å; E222-R225 IonicContact OE1-NH2 3.38Å; E222-R225 IonicContact OE2-CZ 2.67Å; E222-R225 IonicContact OE2-NH1 2.88Å; E222-R225 PolarHBondContact OE2-NH1 3.3Å; I223-R225 VanDerWaalsContact C-N 3.31Å; I223-R225 PolarHBondContact O-N 2.55Å; R225-M227 VanDerWaalsContact C-N 3.35Å; R225-H228 PolarHBondContact O-N 2.9Å; R225-C229 WeakPolarHBondContact O-CB 3.41Å; R225-C229 PolarHBondContact O-N 3.07Å |
| 226 | V | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.5 | -49.8 | 177 | 173.4 | 0 | 0 | 0 | 0 | 110.1 | E222 I223 E224 H228 C229 L230 D231 E235 I238 | E222-V226 WeakPolarHBondContact O-CG2 3.45Å; E222-V226 PolarHBondContact O-N 3.5Å; I223-V226 PolarHBondContact O-N 3.05Å; E224-V226 VanDerWaalsContact C-N 3.32Å; E224-V226 PolarHBondContact O-N 3.02Å; V226-H228 VanDerWaalsContact C-N 3.25Å; V226-H228 PolarHBondContact O-N 2.89Å; V226-C229 PolarHBondContact O-N 3.21Å; V226-L230 HydrophobicContact CB-CB 4.5Å; V226-L230 HydrophobicContact CG1-CB 4.37Å; V226-L230 HydrophobicContact CG2-CB 4.46Å; V226-L230 HydrophobicContact CG2-CD1 4.05Å; V226-L230 CarbonylContact O-C 3.42Å; V226-L230 PolarHBondContact O-N 3.04Å; V226-D231 WeakPolarHBondContact CG1-O 3.26Å; V226-E235 HydrophobicContact CB-CB 4.49Å; V226-E235 HydrophobicContact CG1-CB 3.95Å; V226-I238 HydrophobicContact CG2-CG2 3.81Å |
| 227 | M | 94.9 | Very high | 95.9 | Very high | 138 Ų | 138 | 53.6 Ų | 53.6 | 68% | 0.68 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -56.2 | -36.6 | 179 | -73.8 | -178 | 53.6 | 0 | 0 | 114 | I223 E224 R225 | I223-M227 HydrophobicContact CG2-SD 4.45Å; I223-M227 WeakPolarHBondContact O-CG 3.16Å; I223-M227 PolarHBondContact O-N 2.85Å; E224-M227 PolarHBondContact O-N 3.05Å; R225-M227 VanDerWaalsContact C-N 3.35Å |
| 228 | H | 92.9 | Very high | 96 | Very high | 91 Ų | 91 | 51.6 Ų | 51.6 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -90.1 | -32.6 | -175.2 | -68.8 | 90.4 | 0 | 0 | 0 | 113.8 | E224 R225 V226 | E224-H228 PolarHBondContact O-N 3.45Å; E224-H228 PolarHBondContact O-ND1 3.1Å; R225-H228 PolarHBondContact O-N 2.9Å; V226-H228 VanDerWaalsContact C-N 3.25Å; V226-H228 PolarHBondContact O-N 2.89Å |
| 229 | C | 92.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.007 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -129.3 | -22.9 | -163.4 | -47 | 0 | 0 | 0 | 0 | 115.1 | R158 I161 R162 R225 V226 | R158-C229 WeakPolarHBondContact CB-SG 3.44Å; R158-C229 WeakPolarHBondContact CG-SG 3.38Å; I161-C229 HydrophobicContact CB-CB 4.23Å; I161-C229 HydrophobicContact CG2-CB 3.92Å; R162-C229 VanDerWaalsContact CA-O 3.24Å; R162-C229 WeakPolarHBondContact CA-O 3.3Å; R225-C229 WeakPolarHBondContact O-CB 3.41Å; R225-C229 PolarHBondContact O-N 3.07Å; V226-C229 PolarHBondContact O-N 3.21Å |
| 230 | L | 95.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 56.1 Ų | 56.1 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -118.5 | 172.4 | -170.8 | -50.4 | -179.6 | 0 | 0 | 0 | 111 | I147 I161 F183 F187 V226 T234 | I147-L230 HydrophobicContact CD1-CD2 4.43Å; I161-L230 HydrophobicContact CG2-CD2 3.97Å; F183-L230 HydrophobicContact CE1-CD2 3.74Å; F183-L230 HydrophobicContact CZ-CD2 3.79Å; F187-L230 HydrophobicContact CE1-CD1 3.88Å; F187-L230 HydrophobicContact CZ-CD1 3.92Å; V226-L230 HydrophobicContact CB-CB 4.5Å; V226-L230 HydrophobicContact CG1-CB 4.37Å; V226-L230 HydrophobicContact CG2-CB 4.46Å; V226-L230 HydrophobicContact CG2-CD1 4.05Å; V226-L230 CarbonylContact O-C 3.42Å; V226-L230 PolarHBondContact O-N 3.04Å; L230-T234 HydrophobicContact CD1-CG2 4.21Å |
| 231 | D | 95.3 | Very high | 96.3 | Very high | 51 Ų | 51 | 53 Ų | 53 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | trans | -73.5 | 140.5 | 171.8 | -170.8 | -90.7 | 0 | 0 | 0 | 110.3 | M169 Y179 V226 S233 T234 | M169-D231 HydrophobicContact CE-CB 4.49Å; M169-D231 HydrophobicContact CG-CB 4.26Å; M169-D231 HydrophobicContact SD-CB 4.24Å; Y179-D231 HydrophobicContact CE1-CB 4.16Å; V226-D231 WeakPolarHBondContact CG1-O 3.26Å; D231-S233 PolarHBondContact O-N 3.45Å; D231-S233 VanDerWaalsContact O-N 3.07Å; D231-S233 WeakPolarHBondContact OD1-CB 3.35Å; D231-S233 PolarHBondContact OD1-N 3.2Å; D231-S233 PolarHBondContact OD1-OG 3.29Å; D231-T234 VanDerWaalsContact O-CB 3.24Å; D231-T234 WeakPolarHBondContact O-CB 3.36Å; D231-T234 PolarHBondContact O-N 2.81Å; D231-T234 PolarHBondContact O-OG1 2.97Å | ||
| 232 | K | 95.3 | Very high | 96.4 | Very high | 166 Ų | 166 | 49.5 Ų | 49.5 | 72% | 0.722 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -53.2 | -32.5 | -179.4 | -178.8 | 179.1 | 179.2 | -179 | 0 | 112.6 | T234 E235 | K232-T234 PolarHBondContact O-N 3.23Å; K232-T234 VanDerWaalsContact O-N 3.1Å; K232-E235 WeakPolarHBondContact O-CB 3.4Å; K232-E235 PolarHBondContact O-N 3.47Å; K232-E235 VanDerWaalsContact O-N 3.12Å |
| 233 | S | 95.8 | Very high | 96.4 | Very high | 45 Ų | 45 | 50.8 Ų | 50.8 | 32% | 0.315 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -65.8 | -8.9 | 179.1 | 64.8 | 0 | 0 | 0 | 0 | 114.3 | R176 D231 P237 | R176-S233 PolarHBondContact NH1-O 3.43Å; R176-S233 PolarHBondContact NH1-OG 3.49Å; R176-S233 PolarHBondContact NH2-OG 3.26Å; D231-S233 PolarHBondContact O-N 3.45Å; D231-S233 VanDerWaalsContact O-N 3.07Å; D231-S233 WeakPolarHBondContact OD1-CB 3.35Å; D231-S233 PolarHBondContact OD1-N 3.2Å; D231-S233 PolarHBondContact OD1-OG 3.29Å; S233-P237 WeakPolarHBondContact O-CD 3.29Å |
| 234 | T | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -84.4 | -18.9 | 174.7 | -45.4 | 0 | 0 | 0 | 0 | 113.1 | Y179 E184 F187 L230 D231 K232 E236 P237 I238 | Y179-T234 WeakPolarHBondContact CE1-OG1 3.45Å; Y179-T234 PolarHBondContact OH-OG1 3.06Å; E184-T234 HydrophobicContact CG-CG2 3.99Å; E184-T234 WeakPolarHBondContact OE1-CA 3.42Å; E184-T234 PolarHBondContact OE1-OG1 2.95Å; F187-T234 HydrophobicContact CD1-CG2 4.16Å; F187-T234 HydrophobicContact CE1-CG2 3.86Å; L230-T234 HydrophobicContact CD1-CG2 4.21Å; D231-T234 VanDerWaalsContact O-CB 3.24Å; D231-T234 WeakPolarHBondContact O-CB 3.36Å; D231-T234 PolarHBondContact O-N 2.81Å; D231-T234 PolarHBondContact O-OG1 2.97Å; K232-T234 PolarHBondContact O-N 3.23Å; K232-T234 VanDerWaalsContact O-N 3.1Å; T234-E236 PolarHBondContact O-N 3.46Å; T234-P237 VanDerWaalsContact O-CD 3.29Å; T234-P237 WeakPolarHBondContact O-CD 3.36Å; T234-I238 VanDerWaalsContact O-CG2 3.29Å; T234-I238 WeakPolarHBondContact O-CG2 3.49Å; T234-I238 PolarHBondContact O-N 3.11Å |
| 235 | E | 97.7 | Very high | 96.6 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 32% | 0.318 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.7 | -51.6 | -174 | -168.5 | -177 | 127.8 | 0 | 0 | 112.3 | I223 V226 K232 I238 V239 | I223-E235 HydrophobicContact CG1-CG 4.29Å; V226-E235 HydrophobicContact CB-CB 4.49Å; V226-E235 HydrophobicContact CG1-CB 3.95Å; K232-E235 WeakPolarHBondContact O-CB 3.4Å; K232-E235 PolarHBondContact O-N 3.47Å; K232-E235 VanDerWaalsContact O-N 3.12Å; E235-I238 WeakPolarHBondContact O-CG2 3.24Å; E235-V239 WeakPolarHBondContact O-CB 3.21Å; E235-V239 WeakPolarHBondContact O-CG2 3.42Å; E235-V239 PolarHBondContact O-N 3.34Å |
| 236 | E | 97.3 | Very high | 96.7 | Very high | 125 Ų | 125 | 49 Ų | 49 | 58% | 0.584 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.7 | -47.7 | -179.6 | 179 | -175.1 | 175.1 | 0 | 0 | 112.3 | T234 I238 K240 | T234-E236 PolarHBondContact O-N 3.46Å; E236-I238 PolarHBondContact O-N 3.18Å; E236-K240 HydrophobicContact CG-CD 4.31Å; E236-K240 WeakPolarHBondContact O-CB 3.44Å; E236-K240 WeakPolarHBondContact O-CG 3.39Å; E236-K240 PolarHBondContact O-N 3.41Å; E236-K240 VanDerWaalsContact OE1-CE 3.22Å; E236-K240 WeakPolarHBondContact OE1-CE 3.29Å; E236-K240 IonicContact OE1-NZ 3.91Å; E236-K240 PolarHBondContact OE1-NZ 3.27Å |
| 237 | P | 98.1 | Very high | 96.8 | Very high | 37 Ų | 37 | 49 Ų | 49 | 24% | 0.24 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.6 | -48.1 | 174.3 | -27.9 | 32.8 | 0 | 0 | 0 | 114.7 | L188 S233 T234 K240 V241 | L188-P237 HydrophobicContact CD1-CB 3.72Å; L188-P237 HydrophobicContact CD2-CB 3.9Å; L188-P237 HydrophobicContact CG-CB 4.48Å; S233-P237 WeakPolarHBondContact O-CD 3.29Å; T234-P237 VanDerWaalsContact O-CD 3.29Å; T234-P237 WeakPolarHBondContact O-CD 3.36Å; P237-K240 PolarHBondContact O-N 3.41Å; P237-V241 WeakPolarHBondContact O-CG2 3.28Å; P237-V241 PolarHBondContact O-N 3.06Å; P237-V241 VanDerWaalsContact O-N 3.07Å |
| 238 | I | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.5 | -39.9 | -177 | -171.1 | 57.5 | 0 | 0 | 0 | 111.5 | F187 L188 S191 E222 V226 T234 E235 E236 K240 V241 V242 | F187-I238 HydrophobicContact CE1-CB 4.18Å; F187-I238 HydrophobicContact CE1-CD1 3.81Å; F187-I238 HydrophobicContact CE1-CG1 3.98Å; F187-I238 HydrophobicContact CZ-CD1 3.72Å; F187-I238 HydrophobicContact CZ-CG1 3.92Å; L188-I238 HydrophobicContact CD2-CB 3.96Å; L188-I238 HydrophobicContact CD2-CD1 3.99Å; S191-I238 VanDerWaalsContact CB-CD1 3.5Å; E222-I238 HydrophobicContact CB-CG1 4.18Å; E222-I238 HydrophobicContact CB-CG2 4.44Å; E222-I238 HydrophobicContact CG-CG1 4.17Å; E222-I238 WeakPolarHBondContact OE2-CG1 3.29Å; V226-I238 HydrophobicContact CG2-CG2 3.81Å; T234-I238 VanDerWaalsContact O-CG2 3.29Å; T234-I238 WeakPolarHBondContact O-CG2 3.49Å; T234-I238 PolarHBondContact O-N 3.11Å; E235-I238 WeakPolarHBondContact O-CG2 3.24Å; E236-I238 PolarHBondContact O-N 3.18Å; I238-K240 VanDerWaalsContact C-N 3.3Å; I238-K240 PolarHBondContact O-N 3.01Å; I238-V241 HydrophobicContact CD1-CB 4.44Å; I238-V241 WeakPolarHBondContact O-CB 3.22Å; I238-V241 PolarHBondContact O-N 3.43Å; I238-V241 VanDerWaalsContact O-N 3.08Å; I238-V242 WeakPolarHBondContact O-CG2 3.49Å; I238-V242 PolarHBondContact O-N 2.86Å |
| 239 | V | 97.9 | Very high | 97 | Very high | 17 Ų | 17 | 45.1 Ų | 45.1 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 110.3 | I223 E235 V241 V242 E243 | I223-V239 HydrophobicContact CD1-CG2 4.17Å; I223-V239 HydrophobicContact CG1-CG2 3.74Å; E235-V239 WeakPolarHBondContact O-CB 3.21Å; E235-V239 WeakPolarHBondContact O-CG2 3.42Å; E235-V239 PolarHBondContact O-N 3.34Å; V239-V241 VanDerWaalsContact C-N 3.29Å; V239-V241 PolarHBondContact O-N 3.38Å; V239-V242 PolarHBondContact O-N 3.27Å; V239-E243 HydrophobicContact CG1-CG 4.15Å; V239-E243 WeakPolarHBondContact O-CB 3.31Å; V239-E243 VanDerWaalsContact O-CG 3.31Å; V239-E243 WeakPolarHBondContact O-CG 3.42Å; V239-E243 PolarHBondContact O-N 3Å |
| 240 | K | 97.9 | Very high | 97.2 | Very high | 115 Ų | 115 | 46.6 Ų | 46.6 | 50% | 0.5 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.9 | -36.6 | 174.1 | -77.3 | 177.9 | -175.9 | 168.6 | 0 | 112.8 | E236 P237 I238 R244 | E236-K240 HydrophobicContact CG-CD 4.31Å; E236-K240 WeakPolarHBondContact O-CB 3.44Å; E236-K240 WeakPolarHBondContact O-CG 3.39Å; E236-K240 PolarHBondContact O-N 3.41Å; E236-K240 VanDerWaalsContact OE1-CE 3.22Å; E236-K240 WeakPolarHBondContact OE1-CE 3.29Å; E236-K240 IonicContact OE1-NZ 3.91Å; E236-K240 PolarHBondContact OE1-NZ 3.27Å; P237-K240 PolarHBondContact O-N 3.41Å; I238-K240 VanDerWaalsContact C-N 3.3Å; I238-K240 PolarHBondContact O-N 3.01Å; K240-R244 WeakPolarHBondContact O-CB 3.3Å; K240-R244 PolarHBondContact O-N 3.43Å |
| 241 | V | 98.4 | Very high | 97.1 | Very high | 11 Ų | 11 | 47 Ų | 47 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -48.2 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | L188 A192 F195 P237 I238 V239 E243 R244 E245 | L188-V241 HydrophobicContact CB-CG2 4.37Å; L188-V241 HydrophobicContact CD2-CG2 4.07Å; A192-V241 HydrophobicContact CB-CG1 3.76Å; F195-V241 HydrophobicContact CD2-CG1 4.4Å; P237-V241 WeakPolarHBondContact O-CG2 3.28Å; P237-V241 PolarHBondContact O-N 3.06Å; P237-V241 VanDerWaalsContact O-N 3.07Å; I238-V241 HydrophobicContact CD1-CB 4.44Å; I238-V241 WeakPolarHBondContact O-CB 3.22Å; I238-V241 PolarHBondContact O-N 3.43Å; I238-V241 VanDerWaalsContact O-N 3.08Å; V239-V241 VanDerWaalsContact C-N 3.29Å; V239-V241 PolarHBondContact O-N 3.38Å; V241-E243 PolarHBondContact O-N 2.92Å; V241-R244 PolarHBondContact O-N 3.23Å; V241-E245 HydrophobicContact CG1-CG 4.32Å; V241-E245 WeakPolarHBondContact O-CB 3.36Å; V241-E245 WeakPolarHBondContact O-CG 3.2Å; V241-E245 PolarHBondContact O-N 3.29Å |
| 242 | V | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -48.7 | 177.1 | -177.4 | 0 | 0 | 0 | 0 | 111 | F195 I219 E222 I238 V239 R244 E245 L246 | F195-V242 HydrophobicContact CD2-CG2 3.94Å; F195-V242 HydrophobicContact CE1-CG2 4.45Å; F195-V242 HydrophobicContact CE2-CG2 3.44Å; F195-V242 VanDerWaalsContact CE2-CG2 3.44Å; F195-V242 HydrophobicContact CZ-CG2 3.74Å; I219-V242 HydrophobicContact CG1-CB 4.37Å; I219-V242 HydrophobicContact CG1-CG1 3.61Å; E222-V242 HydrophobicContact CG-CG2 3.8Å; I238-V242 WeakPolarHBondContact O-CG2 3.49Å; I238-V242 PolarHBondContact O-N 2.86Å; V239-V242 PolarHBondContact O-N 3.27Å; V242-R244 VanDerWaalsContact C-N 3.32Å; V242-R244 PolarHBondContact O-N 2.99Å; V242-E245 PolarHBondContact O-N 3.42Å; V242-L246 HydrophobicContact CG1-CD1 3.69Å; V242-L246 HydrophobicContact CG1-CG 4.18Å; V242-L246 VanDerWaalsContact O-CB 3.3Å; V242-L246 WeakPolarHBondContact O-CB 3.28Å; V242-L246 PolarHBondContact O-N 3.27Å |
| 243 | E | 97.8 | Very high | 97.1 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -35.2 | -179.9 | -71.5 | 177.8 | 164.1 | 0 | 0 | 112.3 | I219 V239 V241 I247 S248 R283 V284 | I219-E243 HydrophobicContact CD1-CG 4.45Å; V239-E243 HydrophobicContact CG1-CG 4.15Å; V239-E243 WeakPolarHBondContact O-CB 3.31Å; V239-E243 VanDerWaalsContact O-CG 3.31Å; V239-E243 WeakPolarHBondContact O-CG 3.42Å; V239-E243 PolarHBondContact O-N 3Å; V241-E243 PolarHBondContact O-N 2.92Å; E243-I247 HydrophobicContact CB-CD1 4.3Å; E243-I247 HydrophobicContact CG-CD1 4.09Å; E243-I247 WeakPolarHBondContact O-CA 3.4Å; E243-I247 VanDerWaalsContact O-CB 3.28Å; E243-I247 WeakPolarHBondContact O-CB 3.46Å; E243-I247 PolarHBondContact O-N 3.04Å; E243-S248 PolarHBondContact O-N 3.44Å; E243-S248 PolarHBondContact O-OG 3.46Å; E243-R283 WeakPolarHBondContact OE1-CB 3.43Å; E243-R283 WeakPolarHBondContact OE1-CD 3.23Å; E243-R283 IonicContact OE1-CZ 3.5Å; E243-R283 IonicContact OE1-NH1 3.6Å; E243-R283 PolarHBondContact OE1-NH1 2.9Å; E243-V284 HydrophobicContact CB-CG1 3.94Å |
| 244 | R | 97.8 | Very high | 97.1 | Very high | 115 Ų | 115 | 44.4 Ų | 44.4 | 43% | 0.434 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.1 | -52.4 | 175.1 | -173.9 | -174.8 | 72.4 | -158.4 | -0.8 | 111.4 | K240 V241 V242 S248 K249 | K240-R244 WeakPolarHBondContact O-CB 3.3Å; K240-R244 PolarHBondContact O-N 3.43Å; V241-R244 PolarHBondContact O-N 3.23Å; V242-R244 VanDerWaalsContact C-N 3.32Å; V242-R244 PolarHBondContact O-N 2.99Å; R244-S248 PolarHBondContact O-N 2.9Å; R244-K249 WeakPolarHBondContact O-CG 3.41Å; R244-K249 PolarHBondContact O-N 3.14Å; R244-K249 VanDerWaalsContact O-N 3.15Å |
| 245 | E | 98 | Very high | 97 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -76 | -39.2 | -171.8 | -63.8 | -53.8 | 139.5 | 0 | 0 | 113 | A192 F195 V241 V242 K249 H250 | A192-E245 HydrophobicContact CB-CG 4.3Å; F195-E245 HydrophobicContact CB-CB 3.72Å; F195-E245 HydrophobicContact CB-CG 4.26Å; V241-E245 HydrophobicContact CG1-CG 4.32Å; V241-E245 WeakPolarHBondContact O-CB 3.36Å; V241-E245 WeakPolarHBondContact O-CG 3.2Å; V241-E245 PolarHBondContact O-N 3.29Å; V242-E245 PolarHBondContact O-N 3.42Å; E245-K249 WeakPolarHBondContact OE1-CE 3.41Å; E245-K249 IonicContact OE1-NZ 2.83Å; E245-K249 PolarHBondContact OE1-NZ 3.43Å; E245-K249 WeakPolarHBondContact OE2-CD 3.4Å; E245-K249 WeakPolarHBondContact OE2-CE 3.47Å; E245-K249 IonicContact OE2-NZ 3.86Å; E245-K249 PolarHBondContact OE2-NZ 3.23Å; E245-H250 PolarHBondContact O-CD2 3.07Å; E245-H250 PolarHBondContact O-NE2 2.85Å |
| 246 | L | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -94.4 | -22.3 | -176 | -58.3 | -171.6 | 0 | 0 | 0 | 113.9 | F195 Y211 V215 R218 V242 | F195-L246 HydrophobicContact CB-CD2 3.98Å; F195-L246 HydrophobicContact CB-CG 4.22Å; F195-L246 HydrophobicContact CD1-CD1 3.92Å; F195-L246 HydrophobicContact CD1-CD2 4.25Å; F195-L246 HydrophobicContact CD1-CG 4.23Å; F195-L246 HydrophobicContact CE1-CD1 4.42Å; F195-L246 HydrophobicContact CG-CG 4.44Å; F195-L246 VanDerWaalsContact O-CD2 3.31Å; F195-L246 WeakPolarHBondContact O-CD2 3.47Å; Y211-L246 WeakPolarHBondContact CE1-O 3.36Å; Y211-L246 PolarHBondContact OH-O 2.71Å; V215-L246 HydrophobicContact CB-CD1 4.43Å; V215-L246 HydrophobicContact CG1-CB 3.88Å; V215-L246 HydrophobicContact CG1-CD1 4.11Å; V215-L246 HydrophobicContact CG2-CB 3.85Å; V215-L246 HydrophobicContact CG2-CD1 4.09Å; R218-L246 HydrophobicContact CB-CD1 4.17Å; R218-L246 HydrophobicContact CG-CD1 4.41Å; V242-L246 HydrophobicContact CG1-CD1 3.69Å; V242-L246 HydrophobicContact CG1-CG 4.18Å; V242-L246 VanDerWaalsContact O-CB 3.3Å; V242-L246 WeakPolarHBondContact O-CB 3.28Å; V242-L246 PolarHBondContact O-N 3.27Å |
| 247 | I | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -64 | -176.4 | -46.9 | 168.9 | 0 | 0 | 0 | 110.6 | V215 I219 E243 K249 H250 M251 L280 V284 | V215-I247 HydrophobicContact CG1-CD1 4.15Å; V215-I247 HydrophobicContact CG1-CG1 3.84Å; I219-I247 HydrophobicContact CD1-CD1 4.44Å; E243-I247 HydrophobicContact CB-CD1 4.3Å; E243-I247 HydrophobicContact CG-CD1 4.09Å; E243-I247 WeakPolarHBondContact O-CA 3.4Å; E243-I247 VanDerWaalsContact O-CB 3.28Å; E243-I247 WeakPolarHBondContact O-CB 3.46Å; E243-I247 PolarHBondContact O-N 3.04Å; I247-K249 PolarHBondContact O-N 2.85Å; I247-H250 CarbonylContact O-C 3.51Å; I247-H250 PolarHBondContact O-N 3.45Å; I247-M251 HydrophobicContact CG2-CG 4.43Å; I247-M251 WeakPolarHBondContact O-CG 3.36Å; I247-M251 PolarHBondContact O-N 3.33Å; I247-L280 HydrophobicContact CD1-CD1 3.46Å; I247-L280 VanDerWaalsContact CD1-CD1 3.46Å; I247-L280 HydrophobicContact CD1-CD2 4.47Å; I247-L280 HydrophobicContact CD1-CG 3.77Å; I247-L280 HydrophobicContact CG1-CD1 4.05Å; I247-L280 HydrophobicContact CG1-CD2 4.26Å; I247-L280 HydrophobicContact CG1-CG 4.09Å; I247-L280 HydrophobicContact CG2-CG 4.41Å; I247-V284 HydrophobicContact CB-CG1 4.08Å; I247-V284 HydrophobicContact CD1-CG1 4.29Å; I247-V284 HydrophobicContact CG2-CG1 4.08Å; I247-V284 HydrophobicContact CG2-CG2 3.74Å |
| 248 | S | 96.9 | Very high | 96.3 | Very high | 40 Ų | 40 | 49 Ų | 49 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -59.9 | -42.8 | -167.1 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | E243 R244 H250 M251 V284 | E243-S248 PolarHBondContact O-N 3.44Å; E243-S248 PolarHBondContact O-OG 3.46Å; R244-S248 PolarHBondContact O-N 2.9Å; S248-H250 PolarHBondContact O-N 2.81Å; S248-M251 WeakPolarHBondContact O-CE 3.21Å; S248-V284 WeakPolarHBondContact OG-CG1 3.44Å |
| 249 | K | 96.6 | Very high | 95.9 | Very high | 109 Ų | 109 | 54.6 Ų | 54.6 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -68.2 | -22 | 178.9 | -72.8 | -177.7 | -177.8 | 177.2 | 0 | 113.7 | R244 E245 I247 | R244-K249 WeakPolarHBondContact O-CG 3.41Å; R244-K249 PolarHBondContact O-N 3.14Å; R244-K249 VanDerWaalsContact O-N 3.15Å; E245-K249 WeakPolarHBondContact OE1-CE 3.41Å; E245-K249 IonicContact OE1-NZ 2.83Å; E245-K249 PolarHBondContact OE1-NZ 3.43Å; E245-K249 WeakPolarHBondContact OE2-CD 3.4Å; E245-K249 WeakPolarHBondContact OE2-CE 3.47Å; E245-K249 IonicContact OE2-NZ 3.86Å; E245-K249 PolarHBondContact OE2-NZ 3.23Å; I247-K249 PolarHBondContact O-N 2.85Å |
| 250 | H | 95.8 | Very high | 95.7 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -120.3 | 8.3 | -168.6 | -56.5 | -56.9 | 0 | 0 | 0 | 114 | S199 L203 E245 I247 S248 K252 T253 I254 | S199-H250 VanDerWaalsContact CB-NE2 3.3Å; S199-H250 WeakPolarHBondContact CB-NE2 3.46Å; S199-H250 PolarHBondContact OG-NE2 2.79Å; L203-H250 HydrophobicContact CD1-CB 4.15Å; E245-H250 PolarHBondContact O-CD2 3.07Å; E245-H250 PolarHBondContact O-NE2 2.85Å; I247-H250 CarbonylContact O-C 3.51Å; I247-H250 PolarHBondContact O-N 3.45Å; S248-H250 PolarHBondContact O-N 2.81Å; H250-K252 VanDerWaalsContact C-N 3.33Å; H250-K252 PolarHBondContact O-N 2.94Å; H250-T253 WeakPolarHBondContact O-CB 3.45Å; H250-T253 PolarHBondContact O-N 3.01Å; H250-T253 VanDerWaalsContact O-N 3.09Å; H250-I254 HydrophobicContact CB-CD1 3.92Å; H250-I254 HydrophobicContact CB-CG1 4.25Å; H250-I254 WeakPolarHBondContact O-CG1 3.32Å; H250-I254 PolarHBondContact O-N 3.36Å |
| 251 | M | 94.9 | Very high | 95.5 | Very high | 28 Ų | 28 | 49 Ų | 49 | 14% | 0.138 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -50.1 | -49.2 | -174.8 | -69.6 | -171.9 | -73.5 | 0 | 0 | 113.1 | I247 S248 I254 V255 F281 V284 G287 T290 | I247-M251 HydrophobicContact CG2-CG 4.43Å; I247-M251 WeakPolarHBondContact O-CG 3.36Å; I247-M251 PolarHBondContact O-N 3.33Å; S248-M251 WeakPolarHBondContact O-CE 3.21Å; M251-I254 PolarHBondContact O-N 3.34Å; M251-V255 WeakPolarHBondContact O-CB 3.31Å; M251-V255 VanDerWaalsContact O-CG2 3.28Å; M251-V255 WeakPolarHBondContact O-CG2 3.36Å; M251-V255 PolarHBondContact O-N 3.27Å; M251-F281 HydrophobicContact CB-CE1 3.76Å; M251-F281 HydrophobicContact CB-CZ 4.33Å; M251-F281 HydrophobicContact CG-CD1 4.43Å; M251-F281 HydrophobicContact CG-CE1 3.94Å; M251-F281 HydrophobicContact CG-CZ 4.5Å; M251-V284 HydrophobicContact SD-CG2 3.73Å; M251-G287 VanDerWaalsContact SD-CA 3.53Å; M251-T290 HydrophobicContact CB-CG2 4.27Å |
| 252 | K | 94.8 | Very high | 95.4 | Very high | 132 Ų | 132 | 48.5 Ų | 48.5 | 57% | 0.574 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63.6 | -49.2 | 178.7 | -71 | -171.1 | 175.7 | -172.9 | 0 | 111.5 | H250 I254 V255 E256 T290 | H250-K252 VanDerWaalsContact C-N 3.33Å; H250-K252 PolarHBondContact O-N 2.94Å; K252-I254 VanDerWaalsContact C-N 3.29Å; K252-I254 PolarHBondContact O-N 3.49Å; K252-V255 PolarHBondContact O-N 2.94Å; K252-E256 VanDerWaalsContact O-CB 3.29Å; K252-E256 WeakPolarHBondContact O-CB 3.45Å; K252-E256 WeakPolarHBondContact O-CG 3.08Å; K252-E256 PolarHBondContact O-N 3.11Å; K252-T290 HydrophobicContact CG-CG2 4.07Å |
| 253 | T | 95 | Very high | 95.3 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 45% | 0.454 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.2 | -42.2 | 179.1 | -47 | 0 | 0 | 0 | 0 | 112.2 | L203 H250 M257 | L203-T253 HydrophobicContact CD1-CG2 4.49Å; L203-T253 HydrophobicContact CD2-CG2 4.26Å; H250-T253 WeakPolarHBondContact O-CB 3.45Å; H250-T253 PolarHBondContact O-N 3.01Å; H250-T253 VanDerWaalsContact O-N 3.09Å; T253-M257 WeakPolarHBondContact O-CA 3.45Å; T253-M257 WeakPolarHBondContact O-CB 3.46Å; T253-M257 PolarHBondContact O-N 3.42Å |
| 254 | I | 94.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.9 | -45.2 | 179.4 | -62.9 | 160.1 | 0 | 0 | 0 | 111.1 | L203 A208 Y211 H250 M251 K252 M257 M277 F281 | L203-I254 HydrophobicContact CD2-CG1 3.98Å; A208-I254 HydrophobicContact CB-CG2 4.4Å; Y211-I254 HydrophobicContact CD1-CD1 3.88Å; Y211-I254 HydrophobicContact CD1-CG1 4.08Å; Y211-I254 HydrophobicContact CE1-CD1 3.35Å; Y211-I254 HydrophobicContact CE1-CG1 3.92Å; H250-I254 HydrophobicContact CB-CD1 3.92Å; H250-I254 HydrophobicContact CB-CG1 4.25Å; H250-I254 WeakPolarHBondContact O-CG1 3.32Å; H250-I254 PolarHBondContact O-N 3.36Å; M251-I254 PolarHBondContact O-N 3.34Å; K252-I254 VanDerWaalsContact C-N 3.29Å; K252-I254 PolarHBondContact O-N 3.49Å; I254-M257 WeakPolarHBondContact O-CB 3.49Å; I254-M277 HydrophobicContact CG2-CE 4.26Å; I254-F281 HydrophobicContact CB-CZ 4.13Å; I254-F281 HydrophobicContact CG2-CE2 4.09Å; I254-F281 HydrophobicContact CG2-CZ 4.08Å |
| 255 | V | 95.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.5 | -39.9 | -178.8 | 166.9 | 0 | 0 | 0 | 0 | 111.6 | M251 K252 G261 L262 M277 F281 C294 | M251-V255 WeakPolarHBondContact O-CB 3.31Å; M251-V255 VanDerWaalsContact O-CG2 3.28Å; M251-V255 WeakPolarHBondContact O-CG2 3.36Å; M251-V255 PolarHBondContact O-N 3.27Å; K252-V255 PolarHBondContact O-N 2.94Å; V255-G261 CarbonylContact O-C 3.31Å; V255-G261 WeakPolarHBondContact O-CA 3.44Å; V255-L262 HydrophobicContact CG1-CB 3.87Å; V255-L262 HydrophobicContact CG1-CD2 4.04Å; V255-L262 PolarHBondContact O-N 3Å; V255-M277 HydrophobicContact CG2-SD 4.31Å; V255-F281 HydrophobicContact CG2-CD1 4.28Å; V255-F281 HydrophobicContact CG2-CE1 3.38Å; V255-F281 HydrophobicContact CG2-CZ 3.55Å; V255-C294 HydrophobicContact CG1-CB 3.33Å; V255-C294 WeakPolarHBondContact CG1-SG 3.49Å |
| 256 | E | 94.8 | Very high | 95.2 | Very high | 132 Ų | 132 | 46.1 Ų | 46.1 | 62% | 0.617 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 4.9 | -176.6 | -61.5 | 175.2 | 169.2 | 0 | 0 | 112.8 | K252 E258 | K252-E256 VanDerWaalsContact O-CB 3.29Å; K252-E256 WeakPolarHBondContact O-CB 3.45Å; K252-E256 WeakPolarHBondContact O-CG 3.08Å; K252-E256 PolarHBondContact O-N 3.11Å; E256-E258 PolarHBondContact O-N 3.28Å |
| 257 | M | 93.8 | Very high | 95.1 | Very high | 32 Ų | 32 | 51.4 Ų | 51.4 | 16% | 0.158 | 25% | 0.254 | C | S | . | . | trans | -54.7 | 128.5 | -176.5 | -167.7 | 174.5 | -77.7 | 0 | 0 | 111.5 | L203 A208 T253 I254 N259 S260 G261 | L203-M257 HydrophobicContact CD2-CE 3.67Å; A208-M257 HydrophobicContact CB-CB 4.42Å; A208-M257 HydrophobicContact CB-SD 3.96Å; A208-M257 PolarHBondContact N-SD 2.98Å; T253-M257 WeakPolarHBondContact O-CA 3.45Å; T253-M257 WeakPolarHBondContact O-CB 3.46Å; T253-M257 PolarHBondContact O-N 3.42Å; I254-M257 WeakPolarHBondContact O-CB 3.49Å; M257-N259 PolarHBondContact O-N 3.47Å; M257-S260 WeakPolarHBondContact CG-OG 3.22Å; M257-S260 PolarHBondContact O-N 3.3Å; M257-S260 PolarHBondContact SD-OG 3.4Å; M257-G261 WeakPolarHBondContact O-CA 3.49Å; M257-G261 PolarHBondContact O-N 2.63Å | ||
| 258 | E | 89.6 | Confident | 95 | Very high | 162 Ų | 162 | 56.1 Ų | 56.1 | 76% | 0.757 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 137.4 | -177.5 | -153.8 | -172.6 | 153.8 | 0 | 0 | 110.9 | E256 S260 | E256-E258 PolarHBondContact O-N 3.28Å; E258-S260 PolarHBondContact O-N 3.27Å; E258-S260 PolarHBondContact O-OG 3.47Å |
| 259 | N | 89.6 | Confident | 94.9 | Very high | 117 Ų | 117 | 55.1 Ų | 55.1 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 8.6 | 176.7 | -56.7 | -49.4 | 0 | 0 | 0 | 116.6 | M257 H264 | M257-N259 PolarHBondContact O-N 3.47Å; N259-H264 VanDerWaalsContact C-CG 3.43Å; N259-H264 PolarHBondContact O-CD2 2.97Å; N259-H264 VanDerWaalsContact O-CD2 3.27Å; N259-H264 PolarHBondContact O-CE1 3.25Å; N259-H264 VanDerWaalsContact O-CE1 3.25Å; N259-H264 VanDerWaalsContact O-CG 3.27Å; N259-H264 PolarHBondContact O-ND1 2.88Å; N259-H264 PolarHBondContact O-NE2 3.27Å |
| 260 | S | 93.8 | Very high | 94.8 | Very high | 13 Ų | 13 | 54 Ų | 54 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -149.4 | -17 | 178.1 | 63.7 | 0 | 0 | 0 | 0 | 115.2 | A208 M257 E258 M265 | A208-S260 WeakPolarHBondContact CB-O 3.36Å; A208-S260 PolarHBondContact N-OG 3.11Å; A208-S260 VanDerWaalsContact N-OG 3.14Å; M257-S260 WeakPolarHBondContact CG-OG 3.22Å; M257-S260 PolarHBondContact O-N 3.3Å; M257-S260 PolarHBondContact SD-OG 3.4Å; E258-S260 PolarHBondContact O-N 3.27Å; E258-S260 PolarHBondContact O-OG 3.47Å; S260-M265 WeakPolarHBondContact O-CE 3.4Å |
| 261 | G | 94.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -68.1 | -172.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | V255 M257 V263 H264 M265 | V255-G261 CarbonylContact O-C 3.31Å; V255-G261 WeakPolarHBondContact O-CA 3.44Å; M257-G261 WeakPolarHBondContact O-CA 3.49Å; M257-G261 PolarHBondContact O-N 2.63Å; G261-V263 VanDerWaalsContact C-N 3.34Å; G261-V263 PolarHBondContact O-N 3.17Å; G261-H264 WeakPolarHBondContact O-CB 3.46Å; G261-H264 PolarHBondContact O-N 3.11Å; G261-M265 WeakPolarHBondContact O-CG 3.42Å; G261-M265 PolarHBondContact O-N 3.17Å |
| 262 | L | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54 | -47 | -170.5 | -177.6 | 71.8 | 0 | 0 | 0 | 112.7 | V255 H264 M265 L266 L274 M277 M291 C294 M295 | V255-L262 HydrophobicContact CG1-CB 3.87Å; V255-L262 HydrophobicContact CG1-CD2 4.04Å; V255-L262 PolarHBondContact O-N 3Å; L262-H264 VanDerWaalsContact C-N 3.31Å; L262-H264 PolarHBondContact O-N 2.99Å; L262-M265 PolarHBondContact O-N 3.4Å; L262-L266 HydrophobicContact CD2-CD1 4.47Å; L262-L266 HydrophobicContact CG-CD1 4.01Å; L262-L266 HydrophobicContact CG-CG 4.43Å; L262-L266 VanDerWaalsContact O-CG 3.32Å; L262-L266 WeakPolarHBondContact O-CG 3.24Å; L262-L266 PolarHBondContact O-N 2.91Å; L262-L274 HydrophobicContact CD1-CD2 3.45Å; L262-L274 VanDerWaalsContact CD1-CD2 3.45Å; L262-M277 HydrophobicContact CB-SD 4.08Å; L262-M277 HydrophobicContact CD1-SD 3.84Å; L262-M291 HydrophobicContact CD1-CG 3.72Å; L262-M291 HydrophobicContact CD1-SD 4.05Å; L262-M291 HydrophobicContact CD2-CG 3.64Å; L262-M291 WeakPolarHBondContact CD2-O 3.28Å; L262-M291 HydrophobicContact CG-CG 4.29Å; L262-C294 HydrophobicContact CD2-CB 3.81Å; L262-M295 HydrophobicContact CD2-CB 4.09Å |
| 263 | V | 96.8 | Very high | 94.8 | Very high | 42 Ų | 42 | 55 Ų | 55 | 26% | 0.255 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | -179.6 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | G261 L266 K267 Y298 | G261-V263 VanDerWaalsContact C-N 3.34Å; G261-V263 PolarHBondContact O-N 3.17Å; V263-L266 PolarHBondContact O-N 3.43Å; V263-K267 HydrophobicContact CG1-CD 4.04Å; V263-K267 HydrophobicContact CG1-CG 4.35Å; V263-K267 WeakPolarHBondContact O-CB 3.49Å; V263-K267 VanDerWaalsContact O-CG 3.31Å; V263-K267 WeakPolarHBondContact O-CG 3.41Å; V263-K267 PolarHBondContact O-N 2.86Å; V263-Y298 HydrophobicContact CG1-CD2 3.63Å; V263-Y298 HydrophobicContact CG1-CE2 3.98Å; V263-Y298 HydrophobicContact CG1-CG 4.1Å; V263-Y298 HydrophobicContact CG2-CG 4.4Å |
| 264 | H | 96.4 | Very high | 94.9 | Very high | 54 Ų | 54 | 51.5 Ų | 51.5 | 25% | 0.25 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.4 | -42 | 176.8 | 176.7 | -88.5 | 0 | 0 | 0 | 111.3 | N259 G261 L262 K267 N268 | N259-H264 VanDerWaalsContact C-CG 3.43Å; N259-H264 PolarHBondContact O-CD2 2.97Å; N259-H264 VanDerWaalsContact O-CD2 3.27Å; N259-H264 PolarHBondContact O-CE1 3.25Å; N259-H264 VanDerWaalsContact O-CE1 3.25Å; N259-H264 VanDerWaalsContact O-CG 3.27Å; N259-H264 PolarHBondContact O-ND1 2.88Å; N259-H264 PolarHBondContact O-NE2 3.27Å; G261-H264 WeakPolarHBondContact O-CB 3.46Å; G261-H264 PolarHBondContact O-N 3.11Å; L262-H264 VanDerWaalsContact C-N 3.31Å; L262-H264 PolarHBondContact O-N 2.99Å; H264-K267 PolarHBondContact O-N 3.2Å; H264-N268 PolarHBondContact CD2-ND2 2.99Å; H264-N268 VanDerWaalsContact CD2-ND2 3.26Å; H264-N268 PolarHBondContact CE1-ND2 3.33Å; H264-N268 PolarHBondContact NE2-ND2 3.49Å; H264-N268 PolarHBondContact O-N 3.09Å; H264-N268 PolarHBondContact O-ND2 3.1Å |
| 265 | M | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 175.5 | -62 | 179.1 | -175.1 | 0 | 0 | 111.8 | A208 S209 S260 G261 L262 N268 G269 K270 D273 L274 M277 | A208-M265 HydrophobicContact CB-CE 3.97Å; S209-M265 WeakPolarHBondContact OG-CE 3.36Å; S260-M265 WeakPolarHBondContact O-CE 3.4Å; G261-M265 WeakPolarHBondContact O-CG 3.42Å; G261-M265 PolarHBondContact O-N 3.17Å; L262-M265 PolarHBondContact O-N 3.4Å; M265-N268 PolarHBondContact O-N 3.37Å; M265-G269 PolarHBondContact O-N 3.42Å; M265-K270 HydrophobicContact CB-CB 4.29Å; M265-K270 PolarHBondContact O-N 3.13Å; M265-D273 HydrophobicContact CE-CB 4.05Å; M265-D273 HydrophobicContact CG-CB 4.28Å; M265-D273 HydrophobicContact SD-CB 3.76Å; M265-L274 HydrophobicContact CB-CD2 3.62Å; M265-L274 HydrophobicContact CB-CG 3.86Å; M265-L274 HydrophobicContact SD-CD2 4.16Å; M265-M277 HydrophobicContact CE-CE 3.53Å; M265-M277 HydrophobicContact SD-CE 3.8Å |
| 266 | L | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62 | -48.6 | 175.2 | -70.3 | 169.8 | 0 | 0 | 0 | 111.3 | L262 V263 N268 G269 L274 M295 Y298 R329 F333 F338 | L262-L266 HydrophobicContact CD2-CD1 4.47Å; L262-L266 HydrophobicContact CG-CD1 4.01Å; L262-L266 HydrophobicContact CG-CG 4.43Å; L262-L266 VanDerWaalsContact O-CG 3.32Å; L262-L266 WeakPolarHBondContact O-CG 3.24Å; L262-L266 PolarHBondContact O-N 2.91Å; V263-L266 PolarHBondContact O-N 3.43Å; L266-N268 VanDerWaalsContact C-N 3.31Å; L266-N268 PolarHBondContact O-N 3.48Å; L266-G269 PolarHBondContact O-N 3.23Å; L266-L274 HydrophobicContact CD2-CD1 3.93Å; L266-L274 HydrophobicContact CD2-CD2 4.24Å; L266-L274 HydrophobicContact CG-CD2 4.29Å; L266-M295 HydrophobicContact CD1-CB 4.33Å; L266-M295 HydrophobicContact CD1-CG 4.04Å; L266-Y298 HydrophobicContact CB-CD1 4.2Å; L266-Y298 HydrophobicContact CB-CE1 3.89Å; L266-Y298 HydrophobicContact CD1-CD1 3.81Å; L266-Y298 HydrophobicContact CD1-CE1 4.35Å; L266-R329 PolarHBondContact O-NH2 3.05Å; L266-F333 HydrophobicContact CB-CE2 4.38Å; L266-F333 HydrophobicContact CD2-CD2 3.44Å; L266-F333 VanDerWaalsContact CD2-CD2 3.44Å; L266-F333 HydrophobicContact CD2-CE2 3.58Å; L266-F333 HydrophobicContact CD2-CG 4.11Å; L266-F333 HydrophobicContact CD2-CZ 4.36Å; L266-F333 WeakPolarHBondContact O-CZ 3.5Å; L266-F338 HydrophobicContact CD2-CZ 4.43Å |
| 267 | K | 95.5 | Very high | 95 | Very high | 111 Ų | 111 | 47.9 Ų | 47.9 | 48% | 0.483 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.8 | -37.4 | 179.3 | -80.9 | 178.2 | 179 | -179.7 | 0 | 113.3 | V263 H264 Y298 R329 | V263-K267 HydrophobicContact CG1-CD 4.04Å; V263-K267 HydrophobicContact CG1-CG 4.35Å; V263-K267 WeakPolarHBondContact O-CB 3.49Å; V263-K267 VanDerWaalsContact O-CG 3.31Å; V263-K267 WeakPolarHBondContact O-CG 3.41Å; V263-K267 PolarHBondContact O-N 2.86Å; H264-K267 PolarHBondContact O-N 3.2Å; K267-Y298 HydrophobicContact CD-CE2 4.3Å; K267-Y298 VanDerWaalsContact CE-CE2 3.48Å; K267-Y298 HydrophobicContact CG-CE2 3.84Å; K267-Y298 VanDerWaalsContact CG-OH 3.24Å; K267-Y298 WeakPolarHBondContact CG-OH 3.36Å; K267-R329 PolarHBondContact O-NH2 3.49Å |
| 268 | N | 95.8 | Very high | 95.2 | Very high | 98 Ų | 98 | 47.7 Ų | 47.7 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -98.2 | 0.9 | -178.6 | -63.8 | -65.2 | 0 | 0 | 0 | 113.9 | H264 M265 L266 K270 | H264-N268 PolarHBondContact CD2-ND2 2.99Å; H264-N268 VanDerWaalsContact CD2-ND2 3.26Å; H264-N268 PolarHBondContact CE1-ND2 3.33Å; H264-N268 PolarHBondContact NE2-ND2 3.49Å; H264-N268 PolarHBondContact O-N 3.09Å; H264-N268 PolarHBondContact O-ND2 3.1Å; M265-N268 PolarHBondContact O-N 3.37Å; L266-N268 VanDerWaalsContact C-N 3.31Å; L266-N268 PolarHBondContact O-N 3.48Å; N268-K270 HydrophobicContact CB-CG 4.2Å; N268-K270 PolarHBondContact O-N 3.36Å |
| 269 | G | 94.9 | Very high | 95.5 | Very high | 19 Ų | 19 | 46.1 Ų | 46.1 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 30.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | M265 L266 T271 | M265-G269 PolarHBondContact O-N 3.42Å; L266-G269 PolarHBondContact O-N 3.23Å; G269-T271 PolarHBondContact O-N 3.4Å |
| 270 | K | 95.2 | Very high | 95.8 | Very high | 87 Ų | 87 | 41 Ų | 41 | 38% | 0.378 | 21% | 0.208 | S | C | . | . | trans | -77.2 | 78.4 | -178.9 | -61.8 | -163.7 | 178.1 | -170.5 | 0 | 111.8 | M265 N268 E272 D273 L274 | M265-K270 HydrophobicContact CB-CB 4.29Å; M265-K270 PolarHBondContact O-N 3.13Å; N268-K270 HydrophobicContact CB-CG 4.2Å; N268-K270 PolarHBondContact O-N 3.36Å; K270-E272 PolarHBondContact O-N 2.94Å; K270-D273 HydrophobicContact CB-CB 4.08Å; K270-D273 VanDerWaalsContact CD-OD2 3.25Å; K270-D273 WeakPolarHBondContact CD-OD2 3.47Å; K270-D273 IonicContact NZ-OD2 3.73Å; K270-D273 PolarHBondContact O-N 3.38Å; K270-L274 VanDerWaalsContact O-CG 3.3Å; K270-L274 WeakPolarHBondContact O-CG 3.36Å; K270-L274 PolarHBondContact O-N 3.24Å; K270-L274 VanDerWaalsContact O-N 3.12Å | ||
| 271 | T | 95.4 | Very high | 95.9 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 17% | 0.172 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.4 | -33.5 | -171.7 | 44.6 | 0 | 0 | 0 | 0 | 114.8 | G269 A275 F333 E336 S337 | G269-T271 PolarHBondContact O-N 3.4Å; T271-A275 WeakPolarHBondContact O-CB 3.44Å; T271-A275 PolarHBondContact O-N 3.07Å; T271-F333 HydrophobicContact CG2-CD1 3.78Å; T271-F333 HydrophobicContact CG2-CE1 3.97Å; T271-E336 HydrophobicContact CG2-CB 4.42Å; T271-E336 WeakPolarHBondContact CG2-OE2 3.31Å; T271-S337 VanDerWaalsContact CA-OG 3.26Å; T271-S337 WeakPolarHBondContact CA-OG 3.47Å; T271-S337 WeakPolarHBondContact CB-OG 3.42Å; T271-S337 PolarHBondContact O-OG 2.85Å |
| 272 | E | 95 | Very high | 96 | Very high | 158 Ų | 158 | 43.3 Ų | 43.3 | 74% | 0.738 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -66.3 | -47 | 175.5 | -64.5 | 178.7 | -178.1 | 0 | 0 | 111.8 | K270 L274 A275 C276 | K270-E272 PolarHBondContact O-N 2.94Å; E272-L274 VanDerWaalsContact C-N 3.31Å; E272-L274 PolarHBondContact O-N 3.36Å; E272-A275 WeakPolarHBondContact O-CB 3.24Å; E272-A275 PolarHBondContact O-N 2.88Å; E272-C276 PolarHBondContact O-N 3.03Å |
| 273 | D | 94.3 | Very high | 96 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 14% | 0.139 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | 177.6 | -73.5 | -12.6 | 0 | 0 | 0 | 111.4 | S209 M265 K270 A275 C276 M277 | S209-D273 PolarHBondContact OG-OD2 2.85Å; M265-D273 HydrophobicContact CE-CB 4.05Å; M265-D273 HydrophobicContact CG-CB 4.28Å; M265-D273 HydrophobicContact SD-CB 3.76Å; K270-D273 HydrophobicContact CB-CB 4.08Å; K270-D273 VanDerWaalsContact CD-OD2 3.25Å; K270-D273 WeakPolarHBondContact CD-OD2 3.47Å; K270-D273 IonicContact NZ-OD2 3.73Å; K270-D273 PolarHBondContact O-N 3.38Å; D273-A275 VanDerWaalsContact C-N 3.31Å; D273-A275 PolarHBondContact O-N 3.39Å; D273-C276 PolarHBondContact O-N 3.26Å; D273-M277 PolarHBondContact O-N 2.88Å |
| 274 | L | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -38.9 | 173.3 | -72 | 171.3 | 0 | 0 | 0 | 112 | L262 M265 L266 K270 E272 M277 Y278 F333 F338 | L262-L274 HydrophobicContact CD1-CD2 3.45Å; L262-L274 VanDerWaalsContact CD1-CD2 3.45Å; M265-L274 HydrophobicContact CB-CD2 3.62Å; M265-L274 HydrophobicContact CB-CG 3.86Å; M265-L274 HydrophobicContact SD-CD2 4.16Å; L266-L274 HydrophobicContact CD2-CD1 3.93Å; L266-L274 HydrophobicContact CD2-CD2 4.24Å; L266-L274 HydrophobicContact CG-CD2 4.29Å; K270-L274 VanDerWaalsContact O-CG 3.3Å; K270-L274 WeakPolarHBondContact O-CG 3.36Å; K270-L274 PolarHBondContact O-N 3.24Å; K270-L274 VanDerWaalsContact O-N 3.12Å; E272-L274 VanDerWaalsContact C-N 3.31Å; E272-L274 PolarHBondContact O-N 3.36Å; L274-M277 PolarHBondContact O-N 3.49Å; L274-Y278 WeakPolarHBondContact O-CB 3.42Å; L274-Y278 PolarHBondContact O-N 3.41Å; L274-F333 HydrophobicContact CD1-CD1 3.97Å; L274-F333 HydrophobicContact CD1-CE1 4.21Å; L274-F333 HydrophobicContact CD1-CG 4.29Å; L274-F338 HydrophobicContact CB-CE1 4.12Å; L274-F338 HydrophobicContact CD2-CE1 4.31Å; L274-F338 HydrophobicContact CD2-CZ 4.25Å |
| 275 | A | 96.7 | Very high | 95.8 | Very high | 20 Ų | 20 | 49.4 Ų | 49.4 | 17% | 0.165 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T271 E272 D273 Y278 K279 S337 | T271-A275 WeakPolarHBondContact O-CB 3.44Å; T271-A275 PolarHBondContact O-N 3.07Å; E272-A275 WeakPolarHBondContact O-CB 3.24Å; E272-A275 PolarHBondContact O-N 2.88Å; D273-A275 VanDerWaalsContact C-N 3.31Å; D273-A275 PolarHBondContact O-N 3.39Å; A275-Y278 PolarHBondContact O-N 3.02Å; A275-K279 WeakPolarHBondContact O-CG 3.46Å; A275-K279 PolarHBondContact O-N 3Å; A275-S337 WeakPolarHBondContact CA-O 3.4Å |
| 276 | C | 95.3 | Very high | 95.8 | Very high | 36 Ų | 36 | 54.6 Ų | 54.6 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 173.2 | -70.5 | 0 | 0 | 0 | 0 | 111.4 | I212 E272 D273 Y278 K279 L280 | I212-C276 HydrophobicContact CG2-CB 3.93Å; E272-C276 PolarHBondContact O-N 3.03Å; D273-C276 PolarHBondContact O-N 3.26Å; C276-Y278 PolarHBondContact O-N 2.87Å; C276-K279 PolarHBondContact O-N 3.26Å; C276-L280 PolarHBondContact O-N 3.25Å |
| 277 | M | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -45.1 | 176.1 | -171.1 | 177.3 | -76.7 | 0 | 0 | 111.5 | A208 I212 I254 V255 L262 M265 D273 L274 K279 L280 F281 M291 | A208-M277 HydrophobicContact CB-CE 4.32Å; I212-M277 HydrophobicContact CD1-CB 3.7Å; I212-M277 HydrophobicContact CD1-CE 3.81Å; I212-M277 HydrophobicContact CD1-CG 3.99Å; I254-M277 HydrophobicContact CG2-CE 4.26Å; V255-M277 HydrophobicContact CG2-SD 4.31Å; L262-M277 HydrophobicContact CB-SD 4.08Å; L262-M277 HydrophobicContact CD1-SD 3.84Å; M265-M277 HydrophobicContact CE-CE 3.53Å; M265-M277 HydrophobicContact SD-CE 3.8Å; D273-M277 PolarHBondContact O-N 2.88Å; L274-M277 PolarHBondContact O-N 3.49Å; M277-K279 PolarHBondContact O-N 3.4Å; M277-L280 PolarHBondContact O-N 3.19Å; M277-F281 HydrophobicContact CG-CD2 3.89Å; M277-F281 HydrophobicContact CG-CE2 3.93Å; M277-F281 WeakPolarHBondContact O-CB 3.42Å; M277-F281 VanDerWaalsContact O-CD2 3.24Å; M277-F281 WeakPolarHBondContact O-CD2 3.46Å; M277-F281 PolarHBondContact O-N 2.91Å; M277-M291 HydrophobicContact CB-SD 4.34Å; M277-M291 HydrophobicContact CG-SD 3.77Å; M277-M291 HydrophobicContact SD-CG 4.45Å; M277-M291 HydrophobicContact SD-SD 3.99Å |
| 278 | Y | 97.4 | Very high | 95.8 | Very high | 28 Ų | 28 | 51 Ų | 51 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.3 | -50.1 | 176.1 | 173.8 | -96.6 | 0 | 0 | 0 | 112.1 | L274 A275 C276 L280 F281 S282 L288 M291 F338 N339 D341 F344 | L274-Y278 WeakPolarHBondContact O-CB 3.42Å; L274-Y278 PolarHBondContact O-N 3.41Å; A275-Y278 PolarHBondContact O-N 3.02Å; C276-Y278 PolarHBondContact O-N 2.87Å; Y278-L280 PolarHBondContact O-N 3.3Å; Y278-F281 PolarHBondContact O-N 2.72Å; Y278-S282 WeakPolarHBondContact O-CB 3.25Å; Y278-S282 PolarHBondContact O-N 3.02Å; Y278-L288 HydrophobicContact CD2-CD2 3.61Å; Y278-L288 HydrophobicContact CE2-CD1 4.09Å; Y278-L288 HydrophobicContact CE2-CD2 3.6Å; Y278-L288 HydrophobicContact CG-CD2 4.45Å; Y278-M291 HydrophobicContact CD2-CE 3.85Å; Y278-M291 HydrophobicContact CG-CE 4.4Å; Y278-F338 HydrophobicContact CD2-CB 4.2Å; Y278-F338 HydrophobicContact CD2-CD1 4.13Å; Y278-F338 HydrophobicContact CE2-CB 4.41Å; Y278-F338 HydrophobicContact CG-CD1 4.37Å; Y278-N339 HydrophobicContact CE1-CB 3.95Å; Y278-D341 HydrophobicContact CE2-CB 3.99Å; Y278-F344 HydrophobicContact CD2-CE2 4.41Å; Y278-F344 HydrophobicContact CE2-CE2 4.36Å |
| 279 | K | 95.9 | Very high | 95.8 | Very high | 130 Ų | 130 | 51.5 Ų | 51.5 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59 | -47.3 | 178.5 | -73.9 | 175.2 | -178.3 | -179.9 | 0 | 111.4 | A275 C276 M277 S282 | A275-K279 WeakPolarHBondContact O-CG 3.46Å; A275-K279 PolarHBondContact O-N 3Å; C276-K279 PolarHBondContact O-N 3.26Å; M277-K279 PolarHBondContact O-N 3.4Å; K279-S282 PolarHBondContact O-N 3.46Å; K279-S282 PolarHBondContact O-OG 3.22Å |
| 280 | L | 95.6 | Very high | 96 | Very high | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 179.4 | -171.6 | 72 | 0 | 0 | 0 | 111.9 | I212 V215 I219 I247 C276 M277 Y278 S282 R283 | I212-L280 HydrophobicContact CB-CD2 4.17Å; I212-L280 HydrophobicContact CG1-CD2 3.8Å; I212-L280 HydrophobicContact CG2-CB 4.25Å; I212-L280 HydrophobicContact CG2-CD2 4.02Å; V215-L280 HydrophobicContact CB-CD1 4.32Å; V215-L280 HydrophobicContact CB-CD2 4.46Å; V215-L280 HydrophobicContact CG1-CD1 3.8Å; V215-L280 HydrophobicContact CG1-CD2 4.47Å; I219-L280 HydrophobicContact CD1-CD1 4.43Å; I247-L280 HydrophobicContact CD1-CD1 3.46Å; I247-L280 VanDerWaalsContact CD1-CD1 3.46Å; I247-L280 HydrophobicContact CD1-CD2 4.47Å; I247-L280 HydrophobicContact CD1-CG 3.77Å; I247-L280 HydrophobicContact CG1-CD1 4.05Å; I247-L280 HydrophobicContact CG1-CD2 4.26Å; I247-L280 HydrophobicContact CG1-CG 4.09Å; I247-L280 HydrophobicContact CG2-CG 4.41Å; C276-L280 PolarHBondContact O-N 3.25Å; M277-L280 PolarHBondContact O-N 3.19Å; Y278-L280 PolarHBondContact O-N 3.3Å; L280-S282 VanDerWaalsContact C-N 3.28Å; L280-S282 PolarHBondContact O-N 2.77Å; L280-R283 WeakPolarHBondContact O-CB 3.16Å; L280-R283 PolarHBondContact O-N 3.36Å |
| 281 | F | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73.9 | -19 | -177.2 | -82.5 | -119.1 | 0 | 0 | 0 | 112.9 | M251 I254 V255 M277 Y278 R283 G287 L288 | M251-F281 HydrophobicContact CB-CE1 3.76Å; M251-F281 HydrophobicContact CB-CZ 4.33Å; M251-F281 HydrophobicContact CG-CD1 4.43Å; M251-F281 HydrophobicContact CG-CE1 3.94Å; M251-F281 HydrophobicContact CG-CZ 4.5Å; I254-F281 HydrophobicContact CB-CZ 4.13Å; I254-F281 HydrophobicContact CG2-CE2 4.09Å; I254-F281 HydrophobicContact CG2-CZ 4.08Å; V255-F281 HydrophobicContact CG2-CD1 4.28Å; V255-F281 HydrophobicContact CG2-CE1 3.38Å; V255-F281 HydrophobicContact CG2-CZ 3.55Å; M277-F281 HydrophobicContact CG-CD2 3.89Å; M277-F281 HydrophobicContact CG-CE2 3.93Å; M277-F281 WeakPolarHBondContact O-CB 3.42Å; M277-F281 VanDerWaalsContact O-CD2 3.24Å; M277-F281 WeakPolarHBondContact O-CD2 3.46Å; M277-F281 PolarHBondContact O-N 2.91Å; Y278-F281 PolarHBondContact O-N 2.72Å; F281-R283 PolarHBondContact O-N 2.64Å; F281-G287 WeakPolarHBondContact CD1-O 3.24Å; F281-G287 WeakPolarHBondContact O-CA 3.3Å; F281-L288 HydrophobicContact CB-CD2 4.36Å |
| 282 | S | 96.9 | Very high | 96.1 | Very high | 65 Ų | 65 | 46.3 Ų | 46.3 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.5 | -20.1 | 173.1 | 74.4 | 0 | 0 | 0 | 0 | 113.6 | Y278 K279 L280 | Y278-S282 WeakPolarHBondContact O-CB 3.25Å; Y278-S282 PolarHBondContact O-N 3.02Å; K279-S282 PolarHBondContact O-N 3.46Å; K279-S282 PolarHBondContact O-OG 3.22Å; L280-S282 VanDerWaalsContact C-N 3.28Å; L280-S282 PolarHBondContact O-N 2.77Å |
| 283 | R | 95.4 | Very high | 96.2 | Very high | 108 Ų | 108 | 43.9 Ų | 43.9 | 41% | 0.408 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -27.7 | 178.9 | -68.7 | 177 | 159.2 | -87.3 | 0.3 | 113.7 | E243 L280 F281 | E243-R283 WeakPolarHBondContact OE1-CB 3.43Å; E243-R283 WeakPolarHBondContact OE1-CD 3.23Å; E243-R283 IonicContact OE1-CZ 3.5Å; E243-R283 IonicContact OE1-NH1 3.6Å; E243-R283 PolarHBondContact OE1-NH1 2.9Å; L280-R283 WeakPolarHBondContact O-CB 3.16Å; L280-R283 PolarHBondContact O-N 3.36Å; F281-R283 PolarHBondContact O-N 2.64Å |
| 284 | V | 95.9 | Very high | 96.4 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -113.1 | 144 | -171.9 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | E243 I247 S248 M251 N286 G287 | E243-V284 HydrophobicContact CB-CG1 3.94Å; I247-V284 HydrophobicContact CB-CG1 4.08Å; I247-V284 HydrophobicContact CD1-CG1 4.29Å; I247-V284 HydrophobicContact CG2-CG1 4.08Å; I247-V284 HydrophobicContact CG2-CG2 3.74Å; S248-V284 WeakPolarHBondContact OG-CG1 3.44Å; M251-V284 HydrophobicContact SD-CG2 3.73Å; V284-N286 PolarHBondContact O-N 3.46Å; V284-G287 PolarHBondContact O-N 3.23Å |
| 285 | P | 94.2 | Very high | 96.5 | Very high | 105 Ų | 105 | 43.5 Ų | 43.5 | 68% | 0.682 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 139.7 | 172 | -23.1 | 33 | 0 | 0 | 0 | 111.5 | G287 | P285-G287 PolarHBondContact O-N 3.05Å; P285-G287 VanDerWaalsContact O-N 3.1Å |
| 286 | N | 94.9 | Very high | 96.5 | Very high | 110 Ų | 110 | 43.3 Ų | 43.3 | 59% | 0.588 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | 2.6 | -177.5 | -53.7 | -60.9 | 0 | 0 | 0 | 116.3 | V284 K289 T290 | V284-N286 PolarHBondContact O-N 3.46Å; N286-K289 PolarHBondContact O-N 2.89Å; N286-T290 PolarHBondContact O-N 3.33Å; N286-T290 PolarHBondContact O-OG1 3.02Å |
| 287 | G | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -58.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | M251 F281 V284 P285 K289 T290 M291 | M251-G287 VanDerWaalsContact SD-CA 3.53Å; F281-G287 WeakPolarHBondContact CD1-O 3.24Å; F281-G287 WeakPolarHBondContact O-CA 3.3Å; V284-G287 PolarHBondContact O-N 3.23Å; P285-G287 PolarHBondContact O-N 3.05Å; P285-G287 VanDerWaalsContact O-N 3.1Å; G287-K289 PolarHBondContact O-N 2.85Å; G287-T290 WeakPolarHBondContact O-CB 3.27Å; G287-T290 PolarHBondContact O-N 2.83Å; G287-T290 VanDerWaalsContact O-N 3.11Å; G287-M291 PolarHBondContact O-N 3.47Å; G287-M291 VanDerWaalsContact O-N 3.09Å |
| 288 | L | 96.9 | Very high | 96.7 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 18% | 0.183 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.5 | -35.6 | 177.8 | -63.3 | -173.9 | 0 | 0 | 0 | 112.8 | Y278 F281 M291 C292 F344 | Y278-L288 HydrophobicContact CD2-CD2 3.61Å; Y278-L288 HydrophobicContact CE2-CD1 4.09Å; Y278-L288 HydrophobicContact CE2-CD2 3.6Å; Y278-L288 HydrophobicContact CG-CD2 4.45Å; F281-L288 HydrophobicContact CB-CD2 4.36Å; L288-M291 PolarHBondContact O-N 2.86Å; L288-C292 VanDerWaalsContact O-CB 3.24Å; L288-C292 WeakPolarHBondContact O-CB 3.36Å; L288-C292 PolarHBondContact O-N 3.44Å; L288-F344 HydrophobicContact CB-CE2 4.25Å; L288-F344 HydrophobicContact CD2-CE2 4.38Å |
| 289 | K | 96.8 | Very high | 96.7 | Very high | 108 Ų | 108 | 44.5 Ų | 44.5 | 47% | 0.47 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 176.4 | -175 | -179.4 | 174.8 | -173.7 | 0 | 111.7 | N286 G287 M291 C292 E293 | N286-K289 PolarHBondContact O-N 2.89Å; G287-K289 PolarHBondContact O-N 2.85Å; K289-M291 VanDerWaalsContact C-N 3.33Å; K289-M291 PolarHBondContact O-N 3.32Å; K289-C292 WeakPolarHBondContact O-CB 3.2Å; K289-C292 PolarHBondContact O-N 2.82Å; K289-C292 VanDerWaalsContact O-N 3.17Å; K289-E293 WeakPolarHBondContact CE-OE1 3.35Å; K289-E293 WeakPolarHBondContact O-CG 3.19Å; K289-E293 PolarHBondContact O-N 3.41Å |
| 290 | T | 97.3 | Very high | 96.8 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 13% | 0.129 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 177.9 | -55 | 0 | 0 | 0 | 0 | 111.2 | M251 K252 N286 G287 C292 E293 C294 | M251-T290 HydrophobicContact CB-CG2 4.27Å; K252-T290 HydrophobicContact CG-CG2 4.07Å; N286-T290 PolarHBondContact O-N 3.33Å; N286-T290 PolarHBondContact O-OG1 3.02Å; G287-T290 WeakPolarHBondContact O-CB 3.27Å; G287-T290 PolarHBondContact O-N 2.83Å; G287-T290 VanDerWaalsContact O-N 3.11Å; T290-C292 VanDerWaalsContact C-N 3.34Å; T290-C292 PolarHBondContact O-N 3.39Å; T290-E293 PolarHBondContact O-N 3.36Å; T290-C294 PolarHBondContact O-N 3.09Å |
| 291 | M | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -40.6 | 177 | -165.1 | 174.7 | 82.6 | 0 | 0 | 111.5 | L262 M277 Y278 G287 L288 K289 C294 M295 F338 F344 | L262-M291 HydrophobicContact CD1-CG 3.72Å; L262-M291 HydrophobicContact CD1-SD 4.05Å; L262-M291 HydrophobicContact CD2-CG 3.64Å; L262-M291 WeakPolarHBondContact CD2-O 3.28Å; L262-M291 HydrophobicContact CG-CG 4.29Å; M277-M291 HydrophobicContact CB-SD 4.34Å; M277-M291 HydrophobicContact CG-SD 3.77Å; M277-M291 HydrophobicContact SD-CG 4.45Å; M277-M291 HydrophobicContact SD-SD 3.99Å; Y278-M291 HydrophobicContact CD2-CE 3.85Å; Y278-M291 HydrophobicContact CG-CE 4.4Å; G287-M291 PolarHBondContact O-N 3.47Å; G287-M291 VanDerWaalsContact O-N 3.09Å; L288-M291 PolarHBondContact O-N 2.86Å; K289-M291 VanDerWaalsContact C-N 3.33Å; K289-M291 PolarHBondContact O-N 3.32Å; M291-C294 PolarHBondContact O-N 3.46Å; M291-M295 WeakPolarHBondContact O-CB 3.13Å; M291-M295 PolarHBondContact O-N 2.88Å; M291-F338 HydrophobicContact CE-CD1 3.71Å; M291-F338 HydrophobicContact CE-CE1 3.57Å; M291-F338 HydrophobicContact CE-CZ 4.4Å; M291-F344 HydrophobicContact CB-CZ 4.14Å; M291-F344 HydrophobicContact CE-CE1 3.62Å; M291-F344 HydrophobicContact CE-CE2 4.03Å; M291-F344 HydrophobicContact CE-CZ 3.2Å; M291-F344 HydrophobicContact CG-CE1 4.48Å; M291-F344 HydrophobicContact CG-CZ 4.26Å |
| 292 | C | 97.2 | Very high | 96.7 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 179 | -154.8 | 0 | 0 | 0 | 0 | 112.7 | L288 K289 T290 M295 S296 L343 F344 T347 | L288-C292 VanDerWaalsContact O-CB 3.24Å; L288-C292 WeakPolarHBondContact O-CB 3.36Å; L288-C292 PolarHBondContact O-N 3.44Å; K289-C292 WeakPolarHBondContact O-CB 3.2Å; K289-C292 PolarHBondContact O-N 2.82Å; K289-C292 VanDerWaalsContact O-N 3.17Å; T290-C292 VanDerWaalsContact C-N 3.34Å; T290-C292 PolarHBondContact O-N 3.39Å; C292-M295 PolarHBondContact O-N 3.43Å; C292-S296 VanDerWaalsContact O-CB 3.3Å; C292-S296 WeakPolarHBondContact O-CB 3.49Å; C292-S296 PolarHBondContact O-N 3.01Å; C292-L343 HydrophobicContact CB-CD2 4.16Å; C292-L343 HydrophobicContact CB-CG 4.33Å; C292-F344 HydrophobicContact CB-CE1 4.11Å; C292-F344 HydrophobicContact CB-CE2 4.37Å; C292-F344 HydrophobicContact CB-CZ 3.95Å; C292-T347 VanDerWaalsContact SG-CB 3.51Å; C292-T347 PolarHBondContact SG-OG1 2.96Å |
| 293 | E | 97.3 | Very high | 96.6 | Very high | 107 Ų | 107 | 47.9 Ų | 47.9 | 50% | 0.5 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.1 | -74.2 | 172.1 | 179.3 | 0 | 0 | 111.8 | K289 T290 S296 S297 | K289-E293 WeakPolarHBondContact CE-OE1 3.35Å; K289-E293 WeakPolarHBondContact O-CG 3.19Å; K289-E293 PolarHBondContact O-N 3.41Å; T290-E293 PolarHBondContact O-N 3.36Å; E293-S296 PolarHBondContact O-N 3.46Å; E293-S297 PolarHBondContact O-N 2.67Å |
| 294 | C | 97.4 | Very high | 96.5 | Very high | 18 Ų | 18 | 46.6 Ų | 46.6 | 12% | 0.122 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 112 | V255 L262 T290 M291 S296 S297 Y298 | V255-C294 HydrophobicContact CG1-CB 3.33Å; V255-C294 WeakPolarHBondContact CG1-SG 3.49Å; L262-C294 HydrophobicContact CD2-CB 3.81Å; T290-C294 PolarHBondContact O-N 3.09Å; M291-C294 PolarHBondContact O-N 3.46Å; C294-S296 VanDerWaalsContact C-N 3.31Å; C294-S296 PolarHBondContact O-N 3.32Å; C294-S297 PolarHBondContact O-N 2.98Å; C294-Y298 PolarHBondContact O-N 2.99Å; C294-Y298 VanDerWaalsContact O-N 3.13Å |
| 295 | M | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 174.4 | -179.3 | -166.6 | 66.4 | 0 | 0 | 111.3 | L262 L266 M291 C292 Y298 L299 F330 F338 F344 T347 I348 | L262-M295 HydrophobicContact CD2-CB 4.09Å; L266-M295 HydrophobicContact CD1-CB 4.33Å; L266-M295 HydrophobicContact CD1-CG 4.04Å; M291-M295 WeakPolarHBondContact O-CB 3.13Å; M291-M295 PolarHBondContact O-N 2.88Å; C292-M295 PolarHBondContact O-N 3.43Å; M295-Y298 PolarHBondContact O-N 3.49Å; M295-L299 WeakPolarHBondContact O-CB 3.43Å; M295-L299 PolarHBondContact O-N 2.93Å; M295-F330 HydrophobicContact CG-CD1 4.44Å; M295-F330 HydrophobicContact CG-CE1 3.75Å; M295-F330 HydrophobicContact SD-CD1 4.22Å; M295-F330 HydrophobicContact SD-CE1 4.11Å; M295-F338 HydrophobicContact SD-CE2 3.82Å; M295-F344 HydrophobicContact CE-CD1 3.57Å; M295-F344 HydrophobicContact CE-CE1 4.17Å; M295-F344 HydrophobicContact CE-CG 4.44Å; M295-F344 HydrophobicContact SD-CD1 3.66Å; M295-F344 HydrophobicContact SD-CE1 4.11Å; M295-T347 HydrophobicContact CE-CG2 4.27Å; M295-I348 HydrophobicContact CE-CD1 4.26Å; M295-I348 HydrophobicContact CE-CG1 3.75Å; M295-I348 HydrophobicContact SD-CD1 4.31Å; M295-I348 HydrophobicContact SD-CG1 4.24Å |
| 296 | S | 98.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 11% | 0.112 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | -179.5 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | C292 E293 C294 Y298 L299 R300 D351 | C292-S296 VanDerWaalsContact O-CB 3.3Å; C292-S296 WeakPolarHBondContact O-CB 3.49Å; C292-S296 PolarHBondContact O-N 3.01Å; E293-S296 PolarHBondContact O-N 3.46Å; C294-S296 VanDerWaalsContact C-N 3.31Å; C294-S296 PolarHBondContact O-N 3.32Å; S296-Y298 VanDerWaalsContact C-N 3.33Å; S296-Y298 PolarHBondContact O-N 3.43Å; S296-L299 PolarHBondContact O-N 2.67Å; S296-R300 WeakPolarHBondContact O-CB 3.32Å; S296-R300 VanDerWaalsContact O-CG 3.28Å; S296-R300 WeakPolarHBondContact O-CG 3.35Å; S296-R300 PolarHBondContact O-N 3.36Å; S296-D351 WeakPolarHBondContact CA-OD2 3.36Å; S296-D351 VanDerWaalsContact CB-OD2 3.23Å; S296-D351 WeakPolarHBondContact CB-OD2 3.37Å; S296-D351 PolarHBondContact OG-OD1 3.38Å; S296-D351 PolarHBondContact OG-OD2 2.97Å |
| 297 | S | 97.6 | Very high | 95.9 | Very high | 80 Ų | 80 | 42 Ų | 42 | 56% | 0.559 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -56 | -49.1 | 175.4 | -172.7 | 0 | 0 | 0 | 0 | 111.4 | E293 C294 R300 E301 | E293-S297 PolarHBondContact O-N 2.67Å; C294-S297 PolarHBondContact O-N 2.98Å; S297-R300 PolarHBondContact O-N 2.99Å; S297-E301 PolarHBondContact O-N 3.07Å |
| 298 | Y | 97.3 | Very high | 95.2 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 177.9 | 172.6 | -109.2 | 0 | 0 | 0 | 112.9 | V263 L266 K267 C294 M295 S296 R300 E301 Q302 F330 | V263-Y298 HydrophobicContact CG1-CD2 3.63Å; V263-Y298 HydrophobicContact CG1-CE2 3.98Å; V263-Y298 HydrophobicContact CG1-CG 4.1Å; V263-Y298 HydrophobicContact CG2-CG 4.4Å; L266-Y298 HydrophobicContact CB-CD1 4.2Å; L266-Y298 HydrophobicContact CB-CE1 3.89Å; L266-Y298 HydrophobicContact CD1-CD1 3.81Å; L266-Y298 HydrophobicContact CD1-CE1 4.35Å; K267-Y298 HydrophobicContact CD-CE2 4.3Å; K267-Y298 VanDerWaalsContact CE-CE2 3.48Å; K267-Y298 HydrophobicContact CG-CE2 3.84Å; K267-Y298 VanDerWaalsContact CG-OH 3.24Å; K267-Y298 WeakPolarHBondContact CG-OH 3.36Å; C294-Y298 PolarHBondContact O-N 2.99Å; C294-Y298 VanDerWaalsContact O-N 3.13Å; M295-Y298 PolarHBondContact O-N 3.49Å; S296-Y298 VanDerWaalsContact C-N 3.33Å; S296-Y298 PolarHBondContact O-N 3.43Å; Y298-R300 VanDerWaalsContact C-N 3.34Å; Y298-R300 PolarHBondContact O-N 2.95Å; Y298-E301 WeakPolarHBondContact O-CB 3.34Å; Y298-E301 PolarHBondContact O-N 3.12Å; Y298-Q302 HydrophobicContact CD2-CG 4.12Å; Y298-Q302 HydrophobicContact CE1-CG 4.05Å; Y298-Q302 HydrophobicContact CE2-CG 3.6Å; Y298-Q302 WeakPolarHBondContact O-CG 3.36Å; Y298-Q302 PolarHBondContact O-N 3.4Å; Y298-F330 AromaticContact CD1-CZ 3.99Å; Y298-F330 HydrophobicContact CD1-CZ 3.99Å; Y298-F330 HydrophobicContact CE1-CZ 4.01Å |
| 299 | L | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 178.8 | 175.1 | 56.4 | 0 | 0 | 0 | 111.4 | M295 S296 Q302 G303 L326 F330 I348 D351 F352 F355 | M295-L299 WeakPolarHBondContact O-CB 3.43Å; M295-L299 PolarHBondContact O-N 2.93Å; S296-L299 PolarHBondContact O-N 2.67Å; L299-Q302 PolarHBondContact O-N 2.69Å; L299-G303 PolarHBondContact O-N 3.25Å; L299-L326 HydrophobicContact CD1-CD1 4.36Å; L299-L326 HydrophobicContact CD1-CD2 4Å; L299-L326 HydrophobicContact CD1-CG 4.15Å; L299-F330 HydrophobicContact CB-CE1 3.86Å; L299-F330 HydrophobicContact CB-CZ 3.81Å; L299-F330 HydrophobicContact CD1-CD1 4.28Å; L299-F330 HydrophobicContact CD1-CD2 3.83Å; L299-F330 HydrophobicContact CD1-CE1 4.07Å; L299-F330 HydrophobicContact CD1-CE2 3.61Å; L299-F330 HydrophobicContact CD1-CG 4.16Å; L299-F330 HydrophobicContact CD1-CZ 3.72Å; L299-F330 HydrophobicContact CD2-CD1 4.02Å; L299-F330 HydrophobicContact CD2-CE1 4.06Å; L299-F330 HydrophobicContact CD2-CG 4.44Å; L299-F330 HydrophobicContact CG-CE1 4.2Å; L299-F330 HydrophobicContact CG-CZ 4.2Å; L299-I348 HydrophobicContact CD2-CB 4.32Å; L299-I348 HydrophobicContact CD2-CG1 4.18Å; L299-I348 HydrophobicContact CD2-CG2 4.18Å; L299-D351 HydrophobicContact CD2-CB 3.75Å; L299-D351 HydrophobicContact CG-CB 4.06Å; L299-F352 HydrophobicContact CD1-CE2 3.97Å; L299-F352 HydrophobicContact CD1-CZ 4.5Å; L299-F352 HydrophobicContact CD2-CD2 4.37Å; L299-F352 HydrophobicContact CD2-CE2 4.26Å; L299-F355 HydrophobicContact CD1-CE1 4.19Å; L299-F355 HydrophobicContact CG-CE1 4.2Å |
| 300 | R | 97.3 | Very high | 91.3 | Very high | 90 Ų | 90 | 52.8 Ų | 52.8 | 34% | 0.34 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 175.2 | -74.3 | -179.5 | -176.8 | -147.4 | -5 | 112.3 | S296 S297 Y298 K304 D351 Y354 | S296-R300 WeakPolarHBondContact O-CB 3.32Å; S296-R300 VanDerWaalsContact O-CG 3.28Å; S296-R300 WeakPolarHBondContact O-CG 3.35Å; S296-R300 PolarHBondContact O-N 3.36Å; S297-R300 PolarHBondContact O-N 2.99Å; Y298-R300 VanDerWaalsContact C-N 3.34Å; Y298-R300 PolarHBondContact O-N 2.95Å; R300-K304 VanDerWaalsContact O-CB 3.27Å; R300-K304 WeakPolarHBondContact O-CB 3.3Å; R300-K304 WeakPolarHBondContact O-CG 3.38Å; R300-K304 PolarHBondContact O-N 3.48Å; R300-D351 HydrophobicContact CG-CB 4.15Å; R300-D351 IonicContact CZ-OD1 3.68Å; R300-D351 VanDerWaalsContact CZ-OD1 3.27Å; R300-D351 IonicContact NE-OD1 2.62Å; R300-D351 PolarHBondContact NE-OD1 3.46Å; R300-D351 IonicContact NH2-OD1 2.78Å; R300-D351 PolarHBondContact NH2-OD1 3.02Å; R300-Y354 HydrophobicContact CG-CD1 4.09Å; R300-Y354 HydrophobicContact CG-CE1 4.42Å |
| 301 | E | 95.8 | Very high | 89 | Confident | 121 Ų | 121 | 53.5 Ų | 53.5 | 57% | 0.565 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.4 | -48.9 | 176.3 | -171.1 | -171.5 | 170 | 0 | 0 | 111.3 | S297 Y298 K304 A305 | S297-E301 PolarHBondContact O-N 3.07Å; Y298-E301 WeakPolarHBondContact O-CB 3.34Å; Y298-E301 PolarHBondContact O-N 3.12Å; E301-K304 PolarHBondContact O-N 3.33Å; E301-A305 PolarHBondContact O-N 3.46Å |
| 302 | Q | 95.6 | Very high | 86.5 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 176.7 | -66 | -61.8 | -62.2 | 0 | 0 | 111.9 | Y298 L299 A305 L306 L326 | Y298-Q302 HydrophobicContact CD2-CG 4.12Å; Y298-Q302 HydrophobicContact CE1-CG 4.05Å; Y298-Q302 HydrophobicContact CE2-CG 3.6Å; Y298-Q302 WeakPolarHBondContact O-CG 3.36Å; Y298-Q302 PolarHBondContact O-N 3.4Å; L299-Q302 PolarHBondContact O-N 2.69Å; Q302-A305 PolarHBondContact O-N 3.47Å; Q302-L306 PolarHBondContact O-N 3.43Å; Q302-L306 VanDerWaalsContact O-N 3.16Å; Q302-L326 HydrophobicContact CB-CD1 4.38Å; Q302-L326 HydrophobicContact CB-CD2 4.33Å |
| 303 | G | 94.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | L299 A305 L306 V307 | L299-G303 PolarHBondContact O-N 3.25Å; G303-A305 PolarHBondContact O-N 2.95Å; G303-L306 WeakPolarHBondContact O-CB 3.44Å; G303-L306 PolarHBondContact O-N 3.08Å; G303-V307 WeakPolarHBondContact O-CG1 3.45Å; G303-V307 WeakPolarHBondContact O-CG2 3.18Å; G303-V307 PolarHBondContact O-N 3.11Å |
| 304 | K | 93.5 | Very high | 83.1 | Confident | 82 Ų | 82 | 64.7 Ų | 64.7 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.1 | -48.7 | 173.8 | -78.9 | 178.2 | -172.5 | -174 | 0 | 111.7 | R300 E301 L306 V307 S308 Y354 L358 | R300-K304 VanDerWaalsContact O-CB 3.27Å; R300-K304 WeakPolarHBondContact O-CB 3.3Å; R300-K304 WeakPolarHBondContact O-CG 3.38Å; R300-K304 PolarHBondContact O-N 3.48Å; E301-K304 PolarHBondContact O-N 3.33Å; K304-L306 PolarHBondContact O-N 3Å; K304-V307 WeakPolarHBondContact O-CG2 2.84Å; K304-V307 PolarHBondContact O-N 3.48Å; K304-S308 WeakPolarHBondContact O-CB 3.46Å; K304-S308 PolarHBondContact O-N 2.86Å; K304-S308 PolarHBondContact O-OG 2.88Å; K304-Y354 WeakPolarHBondContact CE-OH 3.44Å; K304-Y354 PolarHBondContact NZ-OH 3.45Å; K304-L358 HydrophobicContact CD-CD1 4.44Å; K304-L358 HydrophobicContact CG-CD1 3.78Å |
| 305 | A | 91.6 | Very high | 82.3 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 55% | 0.554 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -57.7 | -37 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E301 Q302 G303 | E301-A305 PolarHBondContact O-N 3.46Å; Q302-A305 PolarHBondContact O-N 3.47Å; G303-A305 PolarHBondContact O-N 2.95Å |
| 306 | L | 90.3 | Very high | 81.7 | Confident | 58 Ų | 58 | 68.7 Ų | 68.7 | 30% | 0.304 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 174.1 | -67.9 | 174.2 | 0 | 0 | 0 | 111.8 | Q302 G303 K304 K314 L323 L326 | Q302-L306 PolarHBondContact O-N 3.43Å; Q302-L306 VanDerWaalsContact O-N 3.16Å; G303-L306 WeakPolarHBondContact O-CB 3.44Å; G303-L306 PolarHBondContact O-N 3.08Å; K304-L306 PolarHBondContact O-N 3Å; L306-K314 PolarHBondContact O-NZ 3.39Å; L306-L323 HydrophobicContact CB-CD2 4.24Å; L306-L323 HydrophobicContact CD1-CD2 4.04Å; L306-L326 HydrophobicContact CD1-CB 4.16Å; L306-L326 HydrophobicContact CD1-CD2 3.7Å |
| 307 | V | 89.1 | Confident | 81.1 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.018 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -84.5 | -19.2 | -172.7 | -55.6 | 0 | 0 | 0 | 0 | 115.3 | G303 K304 Y319 L323 F355 L358 N359 | G303-V307 WeakPolarHBondContact O-CG1 3.45Å; G303-V307 WeakPolarHBondContact O-CG2 3.18Å; G303-V307 PolarHBondContact O-N 3.11Å; K304-V307 WeakPolarHBondContact O-CG2 2.84Å; K304-V307 PolarHBondContact O-N 3.48Å; V307-Y319 HydrophobicContact CB-CE2 4.34Å; V307-Y319 HydrophobicContact CG1-CE2 4.39Å; V307-Y319 VanDerWaalsContact CG1-OH 3.31Å; V307-Y319 WeakPolarHBondContact CG1-OH 3.37Å; V307-L323 HydrophobicContact CG1-CD2 4.12Å; V307-F355 HydrophobicContact CG1-CD2 4.08Å; V307-F355 HydrophobicContact CG2-CB 4.23Å; V307-F355 WeakPolarHBondContact CG2-O 3.45Å; V307-L358 HydrophobicContact CG2-CB 4.3Å; V307-N359 HydrophobicContact CB-CB 4.24Å; V307-N359 PolarHBondContact O-ND2 3.28Å |
| 308 | S | 81.9 | Confident | 80.6 | Confident | 53 Ų | 53 | 70.5 Ų | 70.5 | 37% | 0.371 | 38% | 0.378 | S | S | . | . | trans | -59.6 | 139.6 | -177.3 | -73.4 | 0 | 0 | 0 | 0 | 112.3 | K304 E310 K314 | K304-S308 WeakPolarHBondContact O-CB 3.46Å; K304-S308 PolarHBondContact O-N 2.86Å; K304-S308 PolarHBondContact O-OG 2.88Å; S308-E310 PolarHBondContact O-N 3.25Å; S308-E310 VanDerWaalsContact O-N 3.09Å; S308-K314 PolarHBondContact O-NZ 3.35Å | ||
| 309 | E | 63.4 | Low | 80.3 | Confident | 130 Ų | 130 | 70.8 Ų | 70.8 | 61% | 0.607 | 38% | 0.379 | S | S | * | . | trans | -76.9 | 25.8 | -175.6 | -65.5 | -168.1 | 153 | 0 | 0 | 114.6 | G311 | E309-G311 PolarHBondContact O-N 3.42Š| ||
| 310 | E | 49.8 | Very low | 80.1 | Confident | 187 Ų | 187 | 70.8 Ų | 70.8 | 87% | 0.874 | 38% | 0.379 | S | S | * | . | trans | -81.9 | 39.6 | -176.7 | -67.7 | -169.2 | 160.3 | 0 | 0 | 114.3 | S308 | S308-E310 PolarHBondContact O-N 3.25Å; S308-E310 VanDerWaalsContact O-N 3.09Å | ||
| 311 | G | 48.1 | Very low | 79.9 | Confident | 36 Ų | 36 | 69.8 Ų | 69.8 | 37% | 0.371 | 38% | 0.378 | S | S | . | . | trans | -173.4 | 103.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113 | E309 G313 K314 | E309-G311 PolarHBondContact O-N 3.42Å; G311-G313 PolarHBondContact O-N 3.27Å; G311-K314 PolarHBondContact O-N 2.97Å | ||
| 312 | E | 44.3 | Very low | 79.8 | Confident | 203 Ų | 203 | 65 Ų | 65 | 95% | 0.949 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 106.5 | 156.9 | -71 | -175.2 | 157.6 | 0 | 0 | 108 | ||
| 313 | G | 56.1 | Low | 79.8 | Confident | 61 Ų | 61 | 62 Ų | 62 | 63% | 0.629 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 119.9 | 6.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | G311 N315 | G311-G313 PolarHBondContact O-N 3.27Å; G313-N315 PolarHBondContact O-N 2.77Å; G313-N315 VanDerWaalsContact O-N 3.17Å |
| 314 | K | 66.8 | Low | 79.8 | Confident | 83 Ų | 83 | 62.4 Ų | 62.4 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | trans | -57.5 | 122.9 | 168.4 | -82.5 | -174.2 | 177.7 | 173.6 | 0 | 110 | L306 S308 G311 P316 | L306-K314 PolarHBondContact O-NZ 3.39Å; S308-K314 PolarHBondContact O-NZ 3.35Å; G311-K314 PolarHBondContact O-N 2.97Å; K314-P316 WeakPolarHBondContact O-CD 3.43Å | ||
| 315 | N | 81.9 | Confident | 79.9 | Confident | 73 Ų | 73 | 62.7 Ų | 62.7 | 39% | 0.39 | 36% | 0.355 | S | S | . | . | trans | -64.6 | 123.5 | 175.7 | 177.2 | -3.1 | 0 | 0 | 0 | 109.3 | G313 V317 D318 Y319 | G313-N315 PolarHBondContact O-N 2.77Å; G313-N315 VanDerWaalsContact O-N 3.17Å; N315-V317 PolarHBondContact O-N 2.79Å; N315-V317 VanDerWaalsContact O-N 3.1Å; N315-V317 WeakPolarHBondContact OD1-CB 3.42Å; N315-V317 PolarHBondContact OD1-N 3.44Å; N315-D318 HydrophobicContact CB-CB 4.2Å; N315-D318 WeakPolarHBondContact CB-OD2 3.32Å; N315-D318 PolarHBondContact ND2-OD2 3.44Å; N315-D318 PolarHBondContact O-N 3.49Å; N315-D318 VanDerWaalsContact O-N 3.13Å; N315-Y319 PolarHBondContact O-N 2.89Å | ||
| 316 | P | 84.8 | Confident | 80.2 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 19% | 0.188 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -53.6 | -31.6 | 177.9 | -28.2 | 35.5 | 0 | 0 | 0 | 113.6 | K314 I320 Y365 L368 | K314-P316 WeakPolarHBondContact O-CD 3.43Å; P316-I320 WeakPolarHBondContact O-CG1 3.45Å; P316-I320 PolarHBondContact O-N 2.94Å; P316-Y365 HydrophobicContact CB-CD1 3.76Å; P316-Y365 HydrophobicContact CB-CE1 4.36Å; P316-Y365 HydrophobicContact CB-CG 3.98Å; P316-Y365 HydrophobicContact CG-CD1 3.74Å; P316-Y365 HydrophobicContact CG-CE1 3.88Å; P316-Y365 HydrophobicContact CG-CG 4.39Å; P316-L368 HydrophobicContact CB-CB 3.96Å; P316-L368 HydrophobicContact CB-CD1 4.01Å; P316-L368 HydrophobicContact CG-CB 4.48Å; P316-L368 HydrophobicContact CG-CD1 3.68Å |
| 317 | V | 85.5 | Confident | 80.5 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 18% | 0.176 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.4 | -47.9 | 179.8 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | N315 Y319 I320 Q321 F369 D372 | N315-V317 PolarHBondContact O-N 2.79Å; N315-V317 VanDerWaalsContact O-N 3.1Å; N315-V317 WeakPolarHBondContact OD1-CB 3.42Å; N315-V317 PolarHBondContact OD1-N 3.44Å; V317-Y319 VanDerWaalsContact C-N 3.32Å; V317-Y319 PolarHBondContact O-N 2.92Å; V317-I320 PolarHBondContact O-N 2.93Å; V317-Q321 WeakPolarHBondContact O-CB 3.19Å; V317-Q321 PolarHBondContact O-N 2.85Å; V317-F369 HydrophobicContact CB-CD2 4.43Å; V317-F369 HydrophobicContact CG1-CD2 4Å; V317-F369 HydrophobicContact CG1-CE2 4.2Å; V317-D372 HydrophobicContact CG2-CB 4.18Å |
| 318 | D | 87.2 | Confident | 80.8 | Confident | 104 Ų | 104 | 60.6 Ų | 60.6 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.9 | -34.9 | -178.9 | -58.6 | -31.5 | 0 | 0 | 0 | 111.2 | N315 Q321 G322 | N315-D318 HydrophobicContact CB-CB 4.2Å; N315-D318 WeakPolarHBondContact CB-OD2 3.32Å; N315-D318 PolarHBondContact ND2-OD2 3.44Å; N315-D318 PolarHBondContact O-N 3.49Å; N315-D318 VanDerWaalsContact O-N 3.13Å; D318-Q321 PolarHBondContact O-N 3.37Å; D318-G322 PolarHBondContact O-N 2.83Å |
| 319 | Y | 90.9 | Very high | 81.5 | Confident | 14 Ų | 14 | 62 Ų | 62 | 6% | 0.055 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.5 | -53.7 | 173.4 | 178.1 | -84.1 | 0 | 0 | 0 | 112.1 | V307 N315 V317 G322 L323 S362 Y365 | V307-Y319 HydrophobicContact CB-CE2 4.34Å; V307-Y319 HydrophobicContact CG1-CE2 4.39Å; V307-Y319 VanDerWaalsContact CG1-OH 3.31Å; V307-Y319 WeakPolarHBondContact CG1-OH 3.37Å; N315-Y319 PolarHBondContact O-N 2.89Å; V317-Y319 VanDerWaalsContact C-N 3.32Å; V317-Y319 PolarHBondContact O-N 2.92Å; Y319-G322 PolarHBondContact O-N 3.1Å; Y319-L323 HydrophobicContact CD1-CD1 3.97Å; Y319-L323 HydrophobicContact CE1-CD1 3.5Å; Y319-L323 VanDerWaalsContact CE1-CD1 3.5Å; Y319-L323 PolarHBondContact O-N 3.33Å; Y319-S362 PolarHBondContact OH-OG 2.88Å; Y319-Y365 AromaticContact CD1-CD2 3.76Å; Y319-Y365 HydrophobicContact CD1-CD2 3.76Å; Y319-Y365 HydrophobicContact CD1-CG 4.47Å; Y319-Y365 AromaticContact CD2-CD2 3.99Å; Y319-Y365 HydrophobicContact CD2-CD2 3.99Å; Y319-Y365 HydrophobicContact CD2-CE2 4.21Å; Y319-Y365 HydrophobicContact CE1-CD2 4.05Å; Y319-Y365 HydrophobicContact CE2-CD2 4.23Å; Y319-Y365 HydrophobicContact CE2-CE2 4.46Å; Y319-Y365 AromaticContact CG-CD2 3.74Å; Y319-Y365 HydrophobicContact CG-CD2 3.74Å; Y319-Y365 HydrophobicContact CG-CE2 4.34Å |
| 320 | I | 93.7 | Very high | 83.2 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.3 | -38.5 | -178.9 | -63.7 | -65.2 | 0 | 0 | 0 | 110.4 | P316 V317 G322 L323 L324 L366 F369 L396 | P316-I320 WeakPolarHBondContact O-CG1 3.45Å; P316-I320 PolarHBondContact O-N 2.94Å; V317-I320 PolarHBondContact O-N 2.93Å; I320-G322 PolarHBondContact O-N 3.05Å; I320-L323 HydrophobicContact CD1-CD1 4.47Å; I320-L323 PolarHBondContact O-N 3.06Å; I320-L324 HydrophobicContact CG2-CD1 4.22Å; I320-L324 HydrophobicContact CG2-CG 4.31Å; I320-L324 WeakPolarHBondContact O-CG 3.39Å; I320-L324 PolarHBondContact O-N 3.24Å; I320-L366 HydrophobicContact CD1-CB 3.94Å; I320-L366 HydrophobicContact CD1-CD1 4.12Å; I320-L366 HydrophobicContact CG2-CD1 4.09Å; I320-F369 HydrophobicContact CB-CB 3.96Å; I320-F369 HydrophobicContact CB-CD1 4.48Å; I320-F369 HydrophobicContact CB-CD2 3.77Å; I320-F369 HydrophobicContact CB-CE2 4.37Å; I320-F369 HydrophobicContact CB-CG 3.83Å; I320-F369 HydrophobicContact CG1-CB 3.9Å; I320-F369 HydrophobicContact CG1-CG 4.32Å; I320-F369 HydrophobicContact CG2-CB 4.05Å; I320-F369 HydrophobicContact CG2-CD1 3.73Å; I320-F369 HydrophobicContact CG2-CD2 3.79Å; I320-F369 HydrophobicContact CG2-CE1 4.07Å; I320-F369 HydrophobicContact CG2-CE2 4.12Å; I320-F369 HydrophobicContact CG2-CG 3.58Å; I320-F369 HydrophobicContact CG2-CZ 4.25Å; I320-L396 HydrophobicContact CG2-CD1 4.06Å |
| 321 | Q | 92.4 | Very high | 85.4 | Confident | 69 Ų | 69 | 49.7 Ų | 49.7 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 177.1 | -170.1 | 60.1 | 53 | 0 | 0 | 111.8 | V317 D318 L323 L324 D325 | V317-Q321 WeakPolarHBondContact O-CB 3.19Å; V317-Q321 PolarHBondContact O-N 2.85Å; D318-Q321 PolarHBondContact O-N 3.37Å; Q321-L323 VanDerWaalsContact C-N 3.28Å; Q321-L323 PolarHBondContact O-N 3Å; Q321-L324 WeakPolarHBondContact O-CB 3.36Å; Q321-L324 PolarHBondContact O-N 3.2Å; Q321-L324 VanDerWaalsContact O-N 3.09Å; Q321-D325 PolarHBondContact NE2-OD1 3.06Å; Q321-D325 PolarHBondContact O-N 3.16Å |
| 322 | G | 93.9 | Very high | 87.7 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 21% | 0.206 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.4 | -36.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D318 Y319 I320 L326 | D318-G322 PolarHBondContact O-N 2.83Å; Y319-G322 PolarHBondContact O-N 3.1Å; I320-G322 PolarHBondContact O-N 3.05Å; G322-L326 WeakPolarHBondContact O-CB 3.25Å; G322-L326 PolarHBondContact O-N 2.78Å |
| 323 | L | 95.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.6 | -39.5 | 174.3 | -68.9 | 173.1 | 0 | 0 | 0 | 112.4 | L306 V307 Y319 I320 Q321 K327 F355 L356 L396 | L306-L323 HydrophobicContact CB-CD2 4.24Å; L306-L323 HydrophobicContact CD1-CD2 4.04Å; V307-L323 HydrophobicContact CG1-CD2 4.12Å; Y319-L323 HydrophobicContact CD1-CD1 3.97Å; Y319-L323 HydrophobicContact CE1-CD1 3.5Å; Y319-L323 VanDerWaalsContact CE1-CD1 3.5Å; Y319-L323 PolarHBondContact O-N 3.33Å; I320-L323 HydrophobicContact CD1-CD1 4.47Å; I320-L323 PolarHBondContact O-N 3.06Å; Q321-L323 VanDerWaalsContact C-N 3.28Å; Q321-L323 PolarHBondContact O-N 3Å; L323-K327 WeakPolarHBondContact O-CB 3.48Å; L323-K327 PolarHBondContact O-N 3.01Å; L323-F355 HydrophobicContact CD2-CD2 4.26Å; L323-F355 HydrophobicContact CD2-CE2 3.75Å; L323-L356 HydrophobicContact CD1-CD1 3.79Å; L323-L396 HydrophobicContact CB-CD1 3.92Å; L323-L396 HydrophobicContact CB-CD2 4.39Å |
| 324 | L | 95.5 | Very high | 92.3 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 175.5 | -69.1 | -179.2 | 0 | 0 | 0 | 111.9 | I320 Q321 K327 S328 F369 K392 L396 | I320-L324 HydrophobicContact CG2-CD1 4.22Å; I320-L324 HydrophobicContact CG2-CG 4.31Å; I320-L324 WeakPolarHBondContact O-CG 3.39Å; I320-L324 PolarHBondContact O-N 3.24Å; Q321-L324 WeakPolarHBondContact O-CB 3.36Å; Q321-L324 PolarHBondContact O-N 3.2Å; Q321-L324 VanDerWaalsContact O-N 3.09Å; L324-K327 PolarHBondContact O-N 3.32Å; L324-S328 WeakPolarHBondContact O-CB 3.5Å; L324-S328 PolarHBondContact O-N 2.72Å; L324-S328 PolarHBondContact O-OG 2.78Å; L324-F369 HydrophobicContact CD1-CE1 4.11Å; L324-F369 HydrophobicContact CD1-CZ 3.83Å; L324-K392 HydrophobicContact CD1-CB 4.45Å; L324-K392 HydrophobicContact CD2-CB 3.93Å; L324-K392 WeakPolarHBondContact CD2-O 3.31Å; L324-L396 HydrophobicContact CD2-CD1 3.47Å; L324-L396 VanDerWaalsContact CD2-CD1 3.47Å; L324-L396 HydrophobicContact CD2-CG 3.71Å; L324-L396 HydrophobicContact CG-CD1 3.89Å |
| 325 | D | 95.5 | Very high | 93.7 | Very high | 87 Ų | 87 | 42.7 Ų | 42.7 | 47% | 0.465 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.8 | -43.4 | 178.5 | -64.9 | -18.9 | 0 | 0 | 0 | 110.7 | Q321 K327 S328 R329 | Q321-D325 PolarHBondContact NE2-OD1 3.06Å; Q321-D325 PolarHBondContact O-N 3.16Å; D325-K327 VanDerWaalsContact C-N 3.32Å; D325-K327 PolarHBondContact O-N 3.09Å; D325-S328 PolarHBondContact O-N 3.07Å; D325-R329 WeakPolarHBondContact O-CB 3.47Å; D325-R329 PolarHBondContact O-N 3.45Å |
| 326 | L | 96.9 | Very high | 94.4 | Very high | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 173.3 | -175 | 63 | 0 | 0 | 0 | 111.2 | L299 Q302 L306 G322 R329 F330 F352 F355 | L299-L326 HydrophobicContact CD1-CD1 4.36Å; L299-L326 HydrophobicContact CD1-CD2 4Å; L299-L326 HydrophobicContact CD1-CG 4.15Å; Q302-L326 HydrophobicContact CB-CD1 4.38Å; Q302-L326 HydrophobicContact CB-CD2 4.33Å; L306-L326 HydrophobicContact CD1-CB 4.16Å; L306-L326 HydrophobicContact CD1-CD2 3.7Å; G322-L326 WeakPolarHBondContact O-CB 3.25Å; G322-L326 PolarHBondContact O-N 2.78Å; L326-R329 PolarHBondContact O-N 2.95Å; L326-F330 HydrophobicContact CD1-CD2 3.86Å; L326-F330 HydrophobicContact CD1-CE2 3.65Å; L326-F330 HydrophobicContact CG-CD2 4.35Å; L326-F330 HydrophobicContact CG-CE2 4.49Å; L326-F330 WeakPolarHBondContact O-CD2 3.46Å; L326-F330 PolarHBondContact O-N 2.72Å; L326-F330 VanDerWaalsContact O-N 3.1Å; L326-F352 HydrophobicContact CB-CZ 4.29Å; L326-F352 HydrophobicContact CD2-CZ 4.27Å; L326-F352 HydrophobicContact CG-CZ 4.01Å; L326-F355 HydrophobicContact CD2-CZ 4.33Å |
| 327 | K | 96.9 | Very high | 95 | Very high | 26 Ų | 26 | 42.9 Ų | 42.9 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 177.8 | -177.2 | 57.4 | 167.9 | 67 | 0 | 111.4 | L323 L324 D325 R329 F330 D331 F352 F399 | L323-K327 WeakPolarHBondContact O-CB 3.48Å; L323-K327 PolarHBondContact O-N 3.01Å; L324-K327 PolarHBondContact O-N 3.32Å; D325-K327 VanDerWaalsContact C-N 3.32Å; D325-K327 PolarHBondContact O-N 3.09Å; K327-R329 VanDerWaalsContact C-N 3.26Å; K327-R329 PolarHBondContact O-N 2.83Å; K327-F330 PolarHBondContact O-N 3.34Å; K327-D331 IonicContact NZ-OD1 3.6Å; K327-D331 PolarHBondContact NZ-OD1 2.97Å; K327-D331 IonicContact NZ-OD2 2.84Å; K327-D331 PolarHBondContact NZ-OD2 3.15Å; K327-D331 WeakPolarHBondContact O-CB 3.21Å; K327-D331 VanDerWaalsContact O-CG 3.31Å; K327-D331 PolarHBondContact O-N 2.97Å; K327-F352 HydrophobicContact CB-CE1 3.68Å; K327-F352 HydrophobicContact CB-CE2 4.36Å; K327-F352 HydrophobicContact CB-CZ 3.58Å; K327-F352 HydrophobicContact CD-CD1 4.36Å; K327-F352 HydrophobicContact CD-CD2 4.01Å; K327-F352 HydrophobicContact CD-CE1 4.1Å; K327-F352 HydrophobicContact CD-CE2 3.72Å; K327-F352 HydrophobicContact CD-CG 4.34Å; K327-F352 HydrophobicContact CD-CZ 3.79Å; K327-F352 HydrophobicContact CG-CE1 4.37Å; K327-F352 HydrophobicContact CG-CZ 4.27Å; K327-F399 HydrophobicContact CD-CE2 4.45Å |
| 328 | S | 96.3 | Very high | 95.6 | Very high | 45 Ų | 45 | 41.5 Ų | 41.5 | 32% | 0.315 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.4 | -39.8 | 178.6 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | L324 D325 R332 | L324-S328 WeakPolarHBondContact O-CB 3.5Å; L324-S328 PolarHBondContact O-N 2.72Å; L324-S328 PolarHBondContact O-OG 2.78Å; D325-S328 PolarHBondContact O-N 3.07Å; S328-R332 PolarHBondContact O-N 2.67Å |
| 329 | R | 96.9 | Very high | 96 | Very high | 83 Ų | 83 | 42.5 Ų | 42.5 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.2 | -46.4 | 176.9 | -177.3 | -177.8 | -178.2 | 161.4 | 9.8 | 112.6 | L266 K267 D325 L326 K327 R332 F333 | L266-R329 PolarHBondContact O-NH2 3.05Å; K267-R329 PolarHBondContact O-NH2 3.49Å; D325-R329 WeakPolarHBondContact O-CB 3.47Å; D325-R329 PolarHBondContact O-N 3.45Å; L326-R329 PolarHBondContact O-N 2.95Å; K327-R329 VanDerWaalsContact C-N 3.26Å; K327-R329 PolarHBondContact O-N 2.83Å; R329-R332 WeakPolarHBondContact O-CB 3.48Å; R329-R332 PolarHBondContact O-N 3.02Å; R329-F333 HydrophobicContact CG-CD2 4.42Å; R329-F333 HydrophobicContact CG-CE2 3.69Å; R329-F333 HydrophobicContact CG-CZ 3.79Å; R329-F333 WeakPolarHBondContact O-CD2 3.26Å; R329-F333 WeakPolarHBondContact O-CG 3.37Å; R329-F333 PolarHBondContact O-N 3.35Å; R329-F333 VanDerWaalsContact O-N 3.16Å |
| 330 | F | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.9 | -30.8 | 179.8 | -87.3 | -98.9 | 0 | 0 | 0 | 113.1 | M295 Y298 L299 L326 K327 R332 F333 L334 I348 | M295-F330 HydrophobicContact CG-CD1 4.44Å; M295-F330 HydrophobicContact CG-CE1 3.75Å; M295-F330 HydrophobicContact SD-CD1 4.22Å; M295-F330 HydrophobicContact SD-CE1 4.11Å; Y298-F330 AromaticContact CD1-CZ 3.99Å; Y298-F330 HydrophobicContact CD1-CZ 3.99Å; Y298-F330 HydrophobicContact CE1-CZ 4.01Å; L299-F330 HydrophobicContact CB-CE1 3.86Å; L299-F330 HydrophobicContact CB-CZ 3.81Å; L299-F330 HydrophobicContact CD1-CD1 4.28Å; L299-F330 HydrophobicContact CD1-CD2 3.83Å; L299-F330 HydrophobicContact CD1-CE1 4.07Å; L299-F330 HydrophobicContact CD1-CE2 3.61Å; L299-F330 HydrophobicContact CD1-CG 4.16Å; L299-F330 HydrophobicContact CD1-CZ 3.72Å; L299-F330 HydrophobicContact CD2-CD1 4.02Å; L299-F330 HydrophobicContact CD2-CE1 4.06Å; L299-F330 HydrophobicContact CD2-CG 4.44Å; L299-F330 HydrophobicContact CG-CE1 4.2Å; L299-F330 HydrophobicContact CG-CZ 4.2Å; L326-F330 HydrophobicContact CD1-CD2 3.86Å; L326-F330 HydrophobicContact CD1-CE2 3.65Å; L326-F330 HydrophobicContact CG-CD2 4.35Å; L326-F330 HydrophobicContact CG-CE2 4.49Å; L326-F330 WeakPolarHBondContact O-CD2 3.46Å; L326-F330 PolarHBondContact O-N 2.72Å; L326-F330 VanDerWaalsContact O-N 3.1Å; K327-F330 PolarHBondContact O-N 3.34Å; F330-R332 VanDerWaalsContact C-N 3.31Å; F330-F333 HydrophobicContact CD1-CD2 4.37Å; F330-F333 HydrophobicContact CG-CD2 4.36Å; F330-F333 PolarHBondContact O-N 3.11Å; F330-L334 WeakPolarHBondContact O-CB 3.5Å; F330-L334 PolarHBondContact O-N 3.22Å; F330-I348 HydrophobicContact CB-CD1 4.34Å; F330-I348 HydrophobicContact CB-CG2 4.25Å; F330-I348 HydrophobicContact CD1-CD1 4.29Å; F330-I348 HydrophobicContact CD1-CG1 4.22Å |
| 331 | D | 96.5 | Very high | 96.5 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 31% | 0.31 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 170 | -73.7 | -20.4 | 0 | 0 | 0 | 111.4 | K327 L334 Q335 | K327-D331 IonicContact NZ-OD1 3.6Å; K327-D331 PolarHBondContact NZ-OD1 2.97Å; K327-D331 IonicContact NZ-OD2 2.84Å; K327-D331 PolarHBondContact NZ-OD2 3.15Å; K327-D331 WeakPolarHBondContact O-CB 3.21Å; K327-D331 VanDerWaalsContact O-CG 3.31Å; K327-D331 PolarHBondContact O-N 2.97Å; D331-L334 WeakPolarHBondContact O-CB 3.31Å; D331-L334 PolarHBondContact O-N 2.86Å; D331-Q335 WeakPolarHBondContact O-CB 3.42Å; D331-Q335 PolarHBondContact O-N 3.44Å |
| 332 | R | 97.3 | Very high | 96.7 | Very high | 91 Ų | 91 | 53.5 Ų | 53.5 | 34% | 0.343 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 174 | -169.5 | 176.9 | 70.3 | 96.4 | -5.8 | 111.7 | S328 R329 F330 L334 Q335 E336 | S328-R332 PolarHBondContact O-N 2.67Å; R329-R332 WeakPolarHBondContact O-CB 3.48Å; R329-R332 PolarHBondContact O-N 3.02Å; F330-R332 VanDerWaalsContact C-N 3.31Å; R332-L334 VanDerWaalsContact C-N 3.33Å; R332-L334 PolarHBondContact O-N 3.21Å; R332-Q335 PolarHBondContact O-N 2.69Å; R332-E336 WeakPolarHBondContact CD-OE1 3.43Å; R332-E336 HydrophobicContact CG-CG 4.06Å; R332-E336 WeakPolarHBondContact CG-OE1 3.3Å; R332-E336 WeakPolarHBondContact CG-OE2 3.46Å; R332-E336 IonicContact CZ-OE2 3.09Å; R332-E336 IonicContact NH1-OE2 2.71Å; R332-E336 PolarHBondContact NH1-OE2 3.42Å; R332-E336 WeakPolarHBondContact O-CB 3.42Å; R332-E336 PolarHBondContact O-N 2.96Å |
| 333 | F | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.3 | -61 | -31.5 | 0 | 0 | 0 | 112.4 | L266 T271 L274 R329 F330 Q335 S337 F338 | L266-F333 HydrophobicContact CB-CE2 4.38Å; L266-F333 HydrophobicContact CD2-CD2 3.44Å; L266-F333 VanDerWaalsContact CD2-CD2 3.44Å; L266-F333 HydrophobicContact CD2-CE2 3.58Å; L266-F333 HydrophobicContact CD2-CG 4.11Å; L266-F333 HydrophobicContact CD2-CZ 4.36Å; L266-F333 WeakPolarHBondContact O-CZ 3.5Å; T271-F333 HydrophobicContact CG2-CD1 3.78Å; T271-F333 HydrophobicContact CG2-CE1 3.97Å; L274-F333 HydrophobicContact CD1-CD1 3.97Å; L274-F333 HydrophobicContact CD1-CE1 4.21Å; L274-F333 HydrophobicContact CD1-CG 4.29Å; R329-F333 HydrophobicContact CG-CD2 4.42Å; R329-F333 HydrophobicContact CG-CE2 3.69Å; R329-F333 HydrophobicContact CG-CZ 3.79Å; R329-F333 WeakPolarHBondContact O-CD2 3.26Å; R329-F333 WeakPolarHBondContact O-CG 3.37Å; R329-F333 PolarHBondContact O-N 3.35Å; R329-F333 VanDerWaalsContact O-N 3.16Å; F330-F333 HydrophobicContact CD1-CD2 4.37Å; F330-F333 HydrophobicContact CG-CD2 4.36Å; F330-F333 PolarHBondContact O-N 3.11Å; F333-Q335 VanDerWaalsContact C-N 3.33Å; F333-Q335 PolarHBondContact O-N 3.16Å; F333-S337 WeakPolarHBondContact O-CA 3.44Å; F333-S337 VanDerWaalsContact O-CB 3.3Å; F333-S337 WeakPolarHBondContact O-CB 3.42Å; F333-S337 PolarHBondContact O-N 3.17Å; F333-F338 HydrophobicContact CB-CD2 4.39Å; F333-F338 HydrophobicContact CB-CE2 3.93Å; F333-F338 PolarHBondContact O-N 3.49Å |
| 334 | L | 97.6 | Very high | 97 | Very high | 9 Ų | 9 | 55.7 Ų | 55.7 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 176.8 | -179.9 | 63.5 | 0 | 0 | 0 | 111.9 | F330 D331 R332 F338 N339 N340 F344 K345 I348 | F330-L334 WeakPolarHBondContact O-CB 3.5Å; F330-L334 PolarHBondContact O-N 3.22Å; D331-L334 WeakPolarHBondContact O-CB 3.31Å; D331-L334 PolarHBondContact O-N 2.86Å; R332-L334 VanDerWaalsContact C-N 3.33Å; R332-L334 PolarHBondContact O-N 3.21Å; L334-F338 HydrophobicContact CD1-CB 4.36Å; L334-F338 CarbonylContact O-C 3.52Å; L334-N339 PolarHBondContact O-N 2.88Å; L334-N340 PolarHBondContact O-N 3.44Å; L334-F344 HydrophobicContact CD1-CB 3.74Å; L334-K345 HydrophobicContact CD1-CB 4.26Å; L334-K345 HydrophobicContact CD2-CB 3.8Å; L334-K345 HydrophobicContact CD2-CD 4.41Å; L334-K345 HydrophobicContact CD2-CG 3.91Å; L334-I348 HydrophobicContact CB-CD1 4.27Å |
| 335 | Q | 97.1 | Very high | 97.1 | Very high | 135 Ų | 135 | 61.5 Ų | 61.5 | 63% | 0.631 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -76.3 | -49.2 | -178.1 | -175.5 | 176.7 | -0.2 | 0 | 0 | 112.9 | D331 R332 F333 | D331-Q335 WeakPolarHBondContact O-CB 3.42Å; D331-Q335 PolarHBondContact O-N 3.44Å; R332-Q335 PolarHBondContact O-N 2.69Å; F333-Q335 VanDerWaalsContact C-N 3.33Å; F333-Q335 PolarHBondContact O-N 3.16Å |
| 336 | E | 96.9 | Very high | 97.2 | Very high | 102 Ų | 102 | 62.7 Ų | 62.7 | 48% | 0.477 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -83.2 | -32.9 | -172 | -66.1 | 177.4 | -173.1 | 0 | 0 | 112.9 | T271 R332 | T271-E336 HydrophobicContact CG2-CB 4.42Å; T271-E336 WeakPolarHBondContact CG2-OE2 3.31Å; R332-E336 WeakPolarHBondContact CD-OE1 3.43Å; R332-E336 HydrophobicContact CG-CG 4.06Å; R332-E336 WeakPolarHBondContact CG-OE1 3.3Å; R332-E336 WeakPolarHBondContact CG-OE2 3.46Å; R332-E336 IonicContact CZ-OE2 3.09Å; R332-E336 IonicContact NH1-OE2 2.71Å; R332-E336 PolarHBondContact NH1-OE2 3.42Å; R332-E336 WeakPolarHBondContact O-CB 3.42Å; R332-E336 PolarHBondContact O-N 2.96Å |
| 337 | S | 97.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -36.3 | -170.3 | -55.6 | 0 | 0 | 0 | 0 | 114.2 | T271 A275 F333 | T271-S337 VanDerWaalsContact CA-OG 3.26Å; T271-S337 WeakPolarHBondContact CA-OG 3.47Å; T271-S337 WeakPolarHBondContact CB-OG 3.42Å; T271-S337 PolarHBondContact O-OG 2.85Å; A275-S337 WeakPolarHBondContact CA-O 3.4Å; F333-S337 WeakPolarHBondContact O-CA 3.44Å; F333-S337 VanDerWaalsContact O-CB 3.3Å; F333-S337 WeakPolarHBondContact O-CB 3.42Å; F333-S337 PolarHBondContact O-N 3.17Å |
| 338 | F | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -104.2 | 14.3 | -173.5 | -50.2 | -37.9 | 0 | 0 | 0 | 113.7 | L266 L274 Y278 M291 M295 F333 L334 N340 D341 F344 | L266-F338 HydrophobicContact CD2-CZ 4.43Å; L274-F338 HydrophobicContact CB-CE1 4.12Å; L274-F338 HydrophobicContact CD2-CE1 4.31Å; L274-F338 HydrophobicContact CD2-CZ 4.25Å; Y278-F338 HydrophobicContact CD2-CB 4.2Å; Y278-F338 HydrophobicContact CD2-CD1 4.13Å; Y278-F338 HydrophobicContact CE2-CB 4.41Å; Y278-F338 HydrophobicContact CG-CD1 4.37Å; M291-F338 HydrophobicContact CE-CD1 3.71Å; M291-F338 HydrophobicContact CE-CE1 3.57Å; M291-F338 HydrophobicContact CE-CZ 4.4Å; M295-F338 HydrophobicContact SD-CE2 3.82Å; F333-F338 HydrophobicContact CB-CD2 4.39Å; F333-F338 HydrophobicContact CB-CE2 3.93Å; F333-F338 PolarHBondContact O-N 3.49Å; L334-F338 HydrophobicContact CD1-CB 4.36Å; L334-F338 CarbonylContact O-C 3.52Å; F338-N340 PolarHBondContact O-N 2.98Å; F338-N340 VanDerWaalsContact O-N 3.1Å; F338-D341 WeakPolarHBondContact O-CB 3.4Å; F338-D341 PolarHBondContact O-N 3.42Å; F338-F344 HydrophobicContact CB-CD1 4.48Å; F338-F344 HydrophobicContact CB-CG 4.24Å; F338-F344 HydrophobicContact CD1-CE1 4.48Å; F338-F344 HydrophobicContact CD2-CB 4.36Å; F338-F344 AromaticContact CD2-CD1 3.58Å; F338-F344 HydrophobicContact CD2-CD1 3.58Å; F338-F344 HydrophobicContact CD2-CE1 4.18Å; F338-F344 HydrophobicContact CD2-CG 4.07Å; F338-F344 HydrophobicContact CE1-CE1 4.49Å; F338-F344 AromaticContact CE2-CD1 3.85Å; F338-F344 HydrophobicContact CE2-CD1 3.85Å; F338-F344 HydrophobicContact CE2-CE1 4.19Å; F338-F344 AromaticContact CG-CD1 3.97Å; F338-F344 HydrophobicContact CG-CD1 3.97Å; F338-F344 HydrophobicContact CG-CE1 4.34Å; F338-F344 HydrophobicContact CG-CG 4.23Å; F338-F344 HydrophobicContact CZ-CD1 4.46Å; F338-F344 HydrophobicContact CZ-CE1 4.35Å |
| 339 | N | 96 | Very high | 97.3 | Very high | 125 Ų | 125 | 61.9 Ų | 61.9 | 67% | 0.668 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 35.6 | 176 | -165.2 | 37.2 | 0 | 0 | 0 | 114.4 | Y278 L334 D341 | Y278-N339 HydrophobicContact CE1-CB 3.95Å; L334-N339 PolarHBondContact O-N 2.88Å; N339-D341 PolarHBondContact O-N 3.41Å |
| 340 | N | 96.8 | Very high | 97.4 | Very high | 94 Ų | 94 | 59.4 Ų | 59.4 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 31.8 | -174.1 | -69.8 | -62.2 | 0 | 0 | 0 | 114.7 | L334 F338 R342 | L334-N340 PolarHBondContact O-N 3.44Å; F338-N340 PolarHBondContact O-N 2.98Å; F338-N340 VanDerWaalsContact O-N 3.1Å; N340-R342 PolarHBondContact O-N 3.08Å |
| 341 | D | 97.8 | Very high | 97.4 | Very high | 35 Ų | 35 | 59.5 Ų | 59.5 | 19% | 0.187 | 29% | 0.293 | C | S | . | . | trans | -56.1 | 136 | -178.7 | -178.1 | -83.3 | 0 | 0 | 0 | 112.6 | Y278 F338 N339 L343 F344 K345 | Y278-D341 HydrophobicContact CE2-CB 3.99Å; F338-D341 WeakPolarHBondContact O-CB 3.4Å; F338-D341 PolarHBondContact O-N 3.42Å; N339-D341 PolarHBondContact O-N 3.41Å; D341-L343 PolarHBondContact O-N 3.43Å; D341-L343 WeakPolarHBondContact OD1-CA 3.39Å; D341-L343 WeakPolarHBondContact OD1-CB 3.42Å; D341-L343 PolarHBondContact OD1-N 3.47Å; D341-F344 HydrophobicContact CB-CD2 3.89Å; D341-F344 PolarHBondContact O-N 2.66Å; D341-F344 WeakPolarHBondContact OD1-CD2 3.28Å; D341-F344 PolarHBondContact OD1-N 3.38Å; D341-K345 WeakPolarHBondContact O-CB 3.44Å; D341-K345 PolarHBondContact O-N 2.81Å | ||
| 342 | R | 97 | Very high | 97.4 | Very high | 186 Ų | 186 | 56.8 Ų | 56.8 | 70% | 0.702 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65.9 | -37.2 | -173.4 | -167.7 | 179.2 | 79.9 | 172.1 | 2.1 | 112.4 | N340 K345 Q346 | N340-R342 PolarHBondContact O-N 3.08Å; R342-K345 PolarHBondContact O-N 2.96Å; R342-Q346 HydrophobicContact CG-CG 4.38Å; R342-Q346 WeakPolarHBondContact O-CB 3.34Å; R342-Q346 VanDerWaalsContact O-CG 3.28Å; R342-Q346 WeakPolarHBondContact O-CG 3.09Å; R342-Q346 PolarHBondContact O-N 2.73Å |
| 343 | L | 97.3 | Very high | 97.4 | Very high | 68 Ų | 68 | 56.1 Ų | 56.1 | 36% | 0.356 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 179.5 | 179.8 | 65.3 | 0 | 0 | 0 | 110.2 | C292 D341 Q346 T347 | C292-L343 HydrophobicContact CB-CD2 4.16Å; C292-L343 HydrophobicContact CB-CG 4.33Å; D341-L343 PolarHBondContact O-N 3.43Å; D341-L343 WeakPolarHBondContact OD1-CA 3.39Å; D341-L343 WeakPolarHBondContact OD1-CB 3.42Å; D341-L343 PolarHBondContact OD1-N 3.47Å; L343-Q346 PolarHBondContact O-N 3.46Å; L343-T347 WeakPolarHBondContact O-CB 3.33Å; L343-T347 PolarHBondContact O-N 3.11Å; L343-T347 PolarHBondContact O-OG1 2.89Å |
| 344 | F | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 176.4 | -74.7 | -95.7 | 0 | 0 | 0 | 111.5 | Y278 L288 M291 C292 M295 L334 F338 D341 Q346 T347 I348 | Y278-F344 HydrophobicContact CD2-CE2 4.41Å; Y278-F344 HydrophobicContact CE2-CE2 4.36Å; L288-F344 HydrophobicContact CB-CE2 4.25Å; L288-F344 HydrophobicContact CD2-CE2 4.38Å; M291-F344 HydrophobicContact CB-CZ 4.14Å; M291-F344 HydrophobicContact CE-CE1 3.62Å; M291-F344 HydrophobicContact CE-CE2 4.03Å; M291-F344 HydrophobicContact CE-CZ 3.2Å; M291-F344 HydrophobicContact CG-CE1 4.48Å; M291-F344 HydrophobicContact CG-CZ 4.26Å; C292-F344 HydrophobicContact CB-CE1 4.11Å; C292-F344 HydrophobicContact CB-CE2 4.37Å; C292-F344 HydrophobicContact CB-CZ 3.95Å; M295-F344 HydrophobicContact CE-CD1 3.57Å; M295-F344 HydrophobicContact CE-CE1 4.17Å; M295-F344 HydrophobicContact CE-CG 4.44Å; M295-F344 HydrophobicContact SD-CD1 3.66Å; M295-F344 HydrophobicContact SD-CE1 4.11Å; L334-F344 HydrophobicContact CD1-CB 3.74Å; F338-F344 HydrophobicContact CB-CD1 4.48Å; F338-F344 HydrophobicContact CB-CG 4.24Å; F338-F344 HydrophobicContact CD1-CE1 4.48Å; F338-F344 HydrophobicContact CD2-CB 4.36Å; F338-F344 AromaticContact CD2-CD1 3.58Å; F338-F344 HydrophobicContact CD2-CD1 3.58Å; F338-F344 HydrophobicContact CD2-CE1 4.18Å; F338-F344 HydrophobicContact CD2-CG 4.07Å; F338-F344 HydrophobicContact CE1-CE1 4.49Å; F338-F344 AromaticContact CE2-CD1 3.85Å; F338-F344 HydrophobicContact CE2-CD1 3.85Å; F338-F344 HydrophobicContact CE2-CE1 4.19Å; F338-F344 AromaticContact CG-CD1 3.97Å; F338-F344 HydrophobicContact CG-CD1 3.97Å; F338-F344 HydrophobicContact CG-CE1 4.34Å; F338-F344 HydrophobicContact CG-CG 4.23Å; F338-F344 HydrophobicContact CZ-CD1 4.46Å; F338-F344 HydrophobicContact CZ-CE1 4.35Å; D341-F344 HydrophobicContact CB-CD2 3.89Å; D341-F344 PolarHBondContact O-N 2.66Å; D341-F344 WeakPolarHBondContact OD1-CD2 3.28Å; D341-F344 PolarHBondContact OD1-N 3.38Å; F344-Q346 PolarHBondContact O-N 2.83Å; F344-T347 PolarHBondContact O-N 3.01Å; F344-I348 WeakPolarHBondContact O-CB 3.27Å; F344-I348 VanDerWaalsContact O-CG1 3.25Å; F344-I348 WeakPolarHBondContact O-CG1 3.36Å; F344-I348 PolarHBondContact O-N 3.49Å |
| 345 | K | 97.6 | Very high | 97.2 | Very high | 129 Ų | 129 | 59.9 Ų | 59.9 | 56% | 0.561 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.4 | -46 | 177.9 | -172.8 | 174.1 | -177.6 | 173.5 | 0 | 112.7 | L334 D341 R342 A349 | L334-K345 HydrophobicContact CD1-CB 4.26Å; L334-K345 HydrophobicContact CD2-CB 3.8Å; L334-K345 HydrophobicContact CD2-CD 4.41Å; L334-K345 HydrophobicContact CD2-CG 3.91Å; D341-K345 WeakPolarHBondContact O-CB 3.44Å; D341-K345 PolarHBondContact O-N 2.81Å; R342-K345 PolarHBondContact O-N 2.96Å; K345-A349 WeakPolarHBondContact O-CB 3.37Å; K345-A349 PolarHBondContact O-N 3.33Å; K345-A349 VanDerWaalsContact O-N 3.08Å |
| 346 | Q | 97.6 | Very high | 97 | Very high | 112 Ų | 112 | 53.6 Ų | 53.6 | 52% | 0.523 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.3 | -41 | 178.5 | -74.8 | 176.6 | -12.9 | 0 | 0 | 111.8 | R342 L343 F344 A349 G350 | R342-Q346 HydrophobicContact CG-CG 4.38Å; R342-Q346 WeakPolarHBondContact O-CB 3.34Å; R342-Q346 VanDerWaalsContact O-CG 3.28Å; R342-Q346 WeakPolarHBondContact O-CG 3.09Å; R342-Q346 PolarHBondContact O-N 2.73Å; L343-Q346 PolarHBondContact O-N 3.46Å; F344-Q346 PolarHBondContact O-N 2.83Å; Q346-A349 PolarHBondContact O-N 3.22Å; Q346-G350 PolarHBondContact O-N 2.94Å |
| 347 | T | 98.1 | Very high | 96.8 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 19% | 0.19 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.4 | -46.2 | 179.4 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | C292 M295 L343 F344 A349 G350 D351 | C292-T347 VanDerWaalsContact SG-CB 3.51Å; C292-T347 PolarHBondContact SG-OG1 2.96Å; M295-T347 HydrophobicContact CE-CG2 4.27Å; L343-T347 WeakPolarHBondContact O-CB 3.33Å; L343-T347 PolarHBondContact O-N 3.11Å; L343-T347 PolarHBondContact O-OG1 2.89Å; F344-T347 PolarHBondContact O-N 3.01Å; T347-A349 VanDerWaalsContact C-N 3.35Å; T347-A349 PolarHBondContact O-N 2.98Å; T347-G350 PolarHBondContact O-N 3.2Å; T347-D351 WeakPolarHBondContact O-CB 3.45Å; T347-D351 PolarHBondContact O-N 3.35Å |
| 348 | I | 98.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.8 | -48.8 | 174.7 | -67.1 | 163.7 | 0 | 0 | 0 | 110.1 | M295 L299 F330 L334 F344 G350 D351 F352 | M295-I348 HydrophobicContact CE-CD1 4.26Å; M295-I348 HydrophobicContact CE-CG1 3.75Å; M295-I348 HydrophobicContact SD-CD1 4.31Å; M295-I348 HydrophobicContact SD-CG1 4.24Å; L299-I348 HydrophobicContact CD2-CB 4.32Å; L299-I348 HydrophobicContact CD2-CG1 4.18Å; L299-I348 HydrophobicContact CD2-CG2 4.18Å; F330-I348 HydrophobicContact CB-CD1 4.34Å; F330-I348 HydrophobicContact CB-CG2 4.25Å; F330-I348 HydrophobicContact CD1-CD1 4.29Å; F330-I348 HydrophobicContact CD1-CG1 4.22Å; L334-I348 HydrophobicContact CB-CD1 4.27Å; F344-I348 WeakPolarHBondContact O-CB 3.27Å; F344-I348 VanDerWaalsContact O-CG1 3.25Å; F344-I348 WeakPolarHBondContact O-CG1 3.36Å; F344-I348 PolarHBondContact O-N 3.49Å; I348-G350 PolarHBondContact O-N 3.37Å; I348-D351 PolarHBondContact O-N 3.1Å; I348-F352 HydrophobicContact CG2-CD2 3.89Å; I348-F352 HydrophobicContact CG2-CE2 4Å; I348-F352 WeakPolarHBondContact O-CD2 3.46Å; I348-F352 PolarHBondContact O-N 3.35Å |
| 349 | A | 96.9 | Very high | 96.2 | Very high | 34 Ų | 34 | 55.5 Ų | 55.5 | 28% | 0.281 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K345 Q346 T347 D351 F352 E353 F399 | K345-A349 WeakPolarHBondContact O-CB 3.37Å; K345-A349 PolarHBondContact O-N 3.33Å; K345-A349 VanDerWaalsContact O-N 3.08Å; Q346-A349 PolarHBondContact O-N 3.22Å; T347-A349 VanDerWaalsContact C-N 3.35Å; T347-A349 PolarHBondContact O-N 2.98Å; A349-D351 VanDerWaalsContact C-N 3.34Å; A349-D351 PolarHBondContact O-N 2.89Å; A349-F352 PolarHBondContact O-N 3.3Å; A349-E353 PolarHBondContact O-N 3.28Å; A349-F399 HydrophobicContact CB-CE1 3.82Å; A349-F399 HydrophobicContact CB-CZ 4.22Å |
| 350 | G | 97.6 | Very high | 95.9 | Very high | 31 Ų | 31 | 52.8 Ų | 52.8 | 32% | 0.32 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.3 | -34.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q346 T347 I348 Y354 | Q346-G350 PolarHBondContact O-N 2.94Å; T347-G350 PolarHBondContact O-N 3.2Å; I348-G350 PolarHBondContact O-N 3.37Å; G350-Y354 WeakPolarHBondContact O-CB 3.44Å; G350-Y354 PolarHBondContact O-N 3.43Å |
| 351 | D | 98.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.011 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.5 | -41.9 | 177 | -69.5 | -20.3 | 0 | 0 | 0 | 111.6 | S296 L299 R300 T347 I348 A349 Y354 F355 | S296-D351 WeakPolarHBondContact CA-OD2 3.36Å; S296-D351 VanDerWaalsContact CB-OD2 3.23Å; S296-D351 WeakPolarHBondContact CB-OD2 3.37Å; S296-D351 PolarHBondContact OG-OD1 3.38Å; S296-D351 PolarHBondContact OG-OD2 2.97Å; L299-D351 HydrophobicContact CD2-CB 3.75Å; L299-D351 HydrophobicContact CG-CB 4.06Å; R300-D351 HydrophobicContact CG-CB 4.15Å; R300-D351 IonicContact CZ-OD1 3.68Å; R300-D351 VanDerWaalsContact CZ-OD1 3.27Å; R300-D351 IonicContact NE-OD1 2.62Å; R300-D351 PolarHBondContact NE-OD1 3.46Å; R300-D351 IonicContact NH2-OD1 2.78Å; R300-D351 PolarHBondContact NH2-OD1 3.02Å; T347-D351 WeakPolarHBondContact O-CB 3.45Å; T347-D351 PolarHBondContact O-N 3.35Å; I348-D351 PolarHBondContact O-N 3.1Å; A349-D351 VanDerWaalsContact C-N 3.34Å; A349-D351 PolarHBondContact O-N 2.89Å; D351-Y354 WeakPolarHBondContact O-CB 3.4Å; D351-Y354 PolarHBondContact O-N 3.25Å; D351-Y354 VanDerWaalsContact O-N 3.11Å; D351-F355 VanDerWaalsContact C-CE1 3.47Å; D351-F355 HydrophobicContact CB-CE1 4.37Å; D351-F355 WeakPolarHBondContact O-CD1 3.48Å; D351-F355 WeakPolarHBondContact O-CE1 3.43Å; D351-F355 WeakPolarHBondContact O-CG 3.48Å; D351-F355 PolarHBondContact O-N 2.95Å |
| 352 | F | 97.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 171.6 | -90.7 | -91.3 | 0 | 0 | 0 | 112.3 | L299 L326 K327 I348 A349 Y354 F355 L356 L396 F399 | L299-F352 HydrophobicContact CD1-CE2 3.97Å; L299-F352 HydrophobicContact CD1-CZ 4.5Å; L299-F352 HydrophobicContact CD2-CD2 4.37Å; L299-F352 HydrophobicContact CD2-CE2 4.26Å; L326-F352 HydrophobicContact CB-CZ 4.29Å; L326-F352 HydrophobicContact CD2-CZ 4.27Å; L326-F352 HydrophobicContact CG-CZ 4.01Å; K327-F352 HydrophobicContact CB-CE1 3.68Å; K327-F352 HydrophobicContact CB-CE2 4.36Å; K327-F352 HydrophobicContact CB-CZ 3.58Å; K327-F352 HydrophobicContact CD-CD1 4.36Å; K327-F352 HydrophobicContact CD-CD2 4.01Å; K327-F352 HydrophobicContact CD-CE1 4.1Å; K327-F352 HydrophobicContact CD-CE2 3.72Å; K327-F352 HydrophobicContact CD-CG 4.34Å; K327-F352 HydrophobicContact CD-CZ 3.79Å; K327-F352 HydrophobicContact CG-CE1 4.37Å; K327-F352 HydrophobicContact CG-CZ 4.27Å; I348-F352 HydrophobicContact CG2-CD2 3.89Å; I348-F352 HydrophobicContact CG2-CE2 4Å; I348-F352 WeakPolarHBondContact O-CD2 3.46Å; I348-F352 PolarHBondContact O-N 3.35Å; A349-F352 PolarHBondContact O-N 3.3Å; F352-Y354 VanDerWaalsContact C-N 3.31Å; F352-Y354 PolarHBondContact O-N 2.93Å; F352-F355 VanDerWaalsContact CA-CZ 3.48Å; F352-F355 HydrophobicContact CB-CZ 4.07Å; F352-F355 AromaticContact CD1-CE2 3.7Å; F352-F355 HydrophobicContact CD1-CE2 3.7Å; F352-F355 AromaticContact CD1-CZ 3.42Å; F352-F355 HydrophobicContact CD1-CZ 3.42Å; F352-F355 VanDerWaalsContact CD1-CZ 3.42Å; F352-F355 HydrophobicContact CD2-CE1 4.35Å; F352-F355 AromaticContact CD2-CZ 3.86Å; F352-F355 HydrophobicContact CD2-CZ 3.86Å; F352-F355 HydrophobicContact CE1-CE2 4.01Å; F352-F355 AromaticContact CE1-CZ 3.64Å; F352-F355 HydrophobicContact CE1-CZ 3.64Å; F352-F355 HydrophobicContact CE2-CZ 4.07Å; F352-F355 HydrophobicContact CG-CE1 4.26Å; F352-F355 HydrophobicContact CG-CE2 4.15Å; F352-F355 AromaticContact CG-CZ 3.52Å; F352-F355 HydrophobicContact CG-CZ 3.52Å; F352-F355 AromaticContact CZ-CZ 3.93Å; F352-F355 HydrophobicContact CZ-CZ 3.93Å; F352-L356 WeakPolarHBondContact O-CB 3.17Å; F352-L356 PolarHBondContact O-N 3.33Å; F352-L356 VanDerWaalsContact O-N 3.11Å; F352-L396 HydrophobicContact CD1-CD2 4.12Å; F352-L396 HydrophobicContact CE1-CD2 4.36Å; F352-F399 HydrophobicContact CB-CD2 3.59Å; F352-F399 HydrophobicContact CB-CE2 3.72Å; F352-F399 HydrophobicContact CB-CG 4.07Å; F352-F399 HydrophobicContact CB-CZ 4.33Å; F352-F399 HydrophobicContact CD1-CD2 4.39Å; F352-F399 HydrophobicContact CD1-CE2 4.42Å; F352-F399 HydrophobicContact CG-CD2 4.25Å; F352-F399 HydrophobicContact CG-CE2 4.11Å |
| 353 | E | 96.1 | Very high | 95.1 | Very high | 77 Ų | 77 | 41.7 Ų | 41.7 | 36% | 0.36 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 171.9 | -178.1 | 174.9 | 178.5 | 0 | 0 | 111.3 | A349 N357 F399 Q401 | A349-E353 PolarHBondContact O-N 3.28Å; E353-N357 PolarHBondContact O-ND2 3.3Å; E353-F399 HydrophobicContact CB-CB 4.32Å; E353-Q401 PolarHBondContact OE1-NE2 2.87Å |
| 354 | Y | 95.9 | Very high | 94.9 | Very high | 87 Ų | 87 | 38.8 Ų | 38.8 | 34% | 0.341 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63 | -57.1 | -179.7 | 170.2 | -101.8 | 0 | 0 | 0 | 112.7 | R300 K304 G350 D351 F352 L358 | R300-Y354 HydrophobicContact CG-CD1 4.09Å; R300-Y354 HydrophobicContact CG-CE1 4.42Å; K304-Y354 WeakPolarHBondContact CE-OH 3.44Å; K304-Y354 PolarHBondContact NZ-OH 3.45Å; G350-Y354 WeakPolarHBondContact O-CB 3.44Å; G350-Y354 PolarHBondContact O-N 3.43Å; D351-Y354 WeakPolarHBondContact O-CB 3.4Å; D351-Y354 PolarHBondContact O-N 3.25Å; D351-Y354 VanDerWaalsContact O-N 3.11Å; F352-Y354 VanDerWaalsContact C-N 3.31Å; F352-Y354 PolarHBondContact O-N 2.93Å; Y354-L358 HydrophobicContact CE1-CD1 4.05Å; Y354-L358 HydrophobicContact CE2-CD2 4.38Å |
| 355 | F | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -77.4 | -31.2 | -173.4 | 58.6 | -110.7 | 0 | 0 | 0 | 113.5 | L299 V307 L323 L326 D351 F352 N357 L358 | L299-F355 HydrophobicContact CD1-CE1 4.19Å; L299-F355 HydrophobicContact CG-CE1 4.2Å; V307-F355 HydrophobicContact CG1-CD2 4.08Å; V307-F355 HydrophobicContact CG2-CB 4.23Å; V307-F355 WeakPolarHBondContact CG2-O 3.45Å; L323-F355 HydrophobicContact CD2-CD2 4.26Å; L323-F355 HydrophobicContact CD2-CE2 3.75Å; L326-F355 HydrophobicContact CD2-CZ 4.33Å; D351-F355 VanDerWaalsContact C-CE1 3.47Å; D351-F355 HydrophobicContact CB-CE1 4.37Å; D351-F355 WeakPolarHBondContact O-CD1 3.48Å; D351-F355 WeakPolarHBondContact O-CE1 3.43Å; D351-F355 WeakPolarHBondContact O-CG 3.48Å; D351-F355 PolarHBondContact O-N 2.95Å; F352-F355 VanDerWaalsContact CA-CZ 3.48Å; F352-F355 HydrophobicContact CB-CZ 4.07Å; F352-F355 AromaticContact CD1-CE2 3.7Å; F352-F355 HydrophobicContact CD1-CE2 3.7Å; F352-F355 AromaticContact CD1-CZ 3.42Å; F352-F355 HydrophobicContact CD1-CZ 3.42Å; F352-F355 VanDerWaalsContact CD1-CZ 3.42Å; F352-F355 HydrophobicContact CD2-CE1 4.35Å; F352-F355 AromaticContact CD2-CZ 3.86Å; F352-F355 HydrophobicContact CD2-CZ 3.86Å; F352-F355 HydrophobicContact CE1-CE2 4.01Å; F352-F355 AromaticContact CE1-CZ 3.64Å; F352-F355 HydrophobicContact CE1-CZ 3.64Å; F352-F355 HydrophobicContact CE2-CZ 4.07Å; F352-F355 HydrophobicContact CG-CE1 4.26Å; F352-F355 HydrophobicContact CG-CE2 4.15Å; F352-F355 AromaticContact CG-CZ 3.52Å; F352-F355 HydrophobicContact CG-CZ 3.52Å; F352-F355 AromaticContact CZ-CZ 3.93Å; F352-F355 HydrophobicContact CZ-CZ 3.93Å; F355-N357 PolarHBondContact O-N 3.36Å; F355-L358 HydrophobicContact CB-CD1 4.21Å; F355-L358 WeakPolarHBondContact O-CB 3.44Å; F355-L358 PolarHBondContact O-N 3.04Å; F355-L358 VanDerWaalsContact O-N 3.08Å |
| 356 | L | 94.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.3 | -34.6 | 178.4 | -178.1 | 67.4 | 0 | 0 | 0 | 111.6 | L323 F352 S362 L396 F399 M400 | L323-L356 HydrophobicContact CD1-CD1 3.79Å; F352-L356 WeakPolarHBondContact O-CB 3.17Å; F352-L356 PolarHBondContact O-N 3.33Å; F352-L356 VanDerWaalsContact O-N 3.11Å; L356-S362 WeakPolarHBondContact O-CB 3.34Å; L356-S362 PolarHBondContact O-OG 3.16Å; L356-L396 VanDerWaalsContact CD2-O 3.24Å; L356-L396 WeakPolarHBondContact CD2-O 3.34Å; L356-F399 HydrophobicContact CD2-CB 3.91Å; L356-M400 HydrophobicContact CD2-CB 4.28Å |
| 357 | N | 93.2 | Very high | 94.4 | Very high | 46 Ų | 46 | 28.5 Ų | 28.5 | 25% | 0.246 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 1.9 | -178.8 | -64.2 | -65 | 0 | 0 | 0 | 113.8 | E353 F355 N359 F399 Q401 | E353-N357 PolarHBondContact O-ND2 3.3Å; F355-N357 PolarHBondContact O-N 3.36Å; N357-N359 VanDerWaalsContact C-N 3.33Å; N357-F399 PolarHBondContact ND2-O 3.17Å; N357-Q401 PolarHBondContact OD1-N 3.46Å |
| 358 | L | 92.3 | Very high | 94.1 | Very high | 90 Ų | 90 | 28.3 Ų | 28.3 | 47% | 0.471 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -27.8 | 170.3 | -65.8 | 175.5 | 0 | 0 | 0 | 112.2 | K304 V307 Y354 F355 | K304-L358 HydrophobicContact CD-CD1 4.44Å; K304-L358 HydrophobicContact CG-CD1 3.78Å; V307-L358 HydrophobicContact CG2-CB 4.3Å; Y354-L358 HydrophobicContact CE1-CD1 4.05Å; Y354-L358 HydrophobicContact CE2-CD2 4.38Å; F355-L358 HydrophobicContact CB-CD1 4.21Å; F355-L358 WeakPolarHBondContact O-CB 3.44Å; F355-L358 PolarHBondContact O-N 3.04Å; F355-L358 VanDerWaalsContact O-N 3.08Å |
| 359 | N | 89.9 | Confident | 93.9 | Very high | 10 Ų | 10 | 28.1 Ų | 28.1 | 5% | 0.053 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -102 | 117.2 | 179.5 | -171.7 | -34.8 | 0 | 0 | 0 | 110.6 | V307 N357 R361 S362 | V307-N359 HydrophobicContact CB-CB 4.24Å; V307-N359 PolarHBondContact O-ND2 3.28Å; N357-N359 VanDerWaalsContact C-N 3.33Å; N359-R361 PolarHBondContact O-N 3.46Å; N359-R361 VanDerWaalsContact O-N 3.17Å; N359-R361 WeakPolarHBondContact OD1-CA 3.46Å; N359-R361 VanDerWaalsContact OD1-CB 3.27Å; N359-R361 WeakPolarHBondContact OD1-CB 3.43Å; N359-R361 PolarHBondContact OD1-N 2.93Å; N359-S362 WeakPolarHBondContact O-CB 3.31Å; N359-S362 PolarHBondContact O-N 2.93Å; N359-S362 VanDerWaalsContact O-N 3.16Å; N359-S362 PolarHBondContact O-OG 2.99Å |
| 360 | S | 88.9 | Confident | 93.7 | Very high | 68 Ų | 68 | 26.5 Ų | 26.5 | 48% | 0.476 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.7 | -179.2 | 66.6 | 0 | 0 | 0 | 0 | 114.2 | P363 | S360-P363 WeakPolarHBondContact O-CD 3.49Š|
| 361 | R | 88.9 | Confident | 93.4 | Very high | 77 Ų | 77 | 25.1 Ų | 25.1 | 29% | 0.291 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -9.1 | 177.6 | -55.1 | -173.2 | -178 | -168.6 | -2.5 | 113.7 | N359 P363 E364 Y365 R666 | N359-R361 PolarHBondContact O-N 3.46Å; N359-R361 VanDerWaalsContact O-N 3.17Å; N359-R361 WeakPolarHBondContact OD1-CA 3.46Å; N359-R361 VanDerWaalsContact OD1-CB 3.27Å; N359-R361 WeakPolarHBondContact OD1-CB 3.43Å; N359-R361 PolarHBondContact OD1-N 2.93Å; R361-P363 VanDerWaalsContact C-N 3.3Å; R361-E364 WeakPolarHBondContact O-CB 3.49Å; R361-E364 PolarHBondContact O-N 3.05Å; R361-Y365 HydrophobicContact CB-CD1 4.34Å; R361-Y365 HydrophobicContact CB-CD2 4.29Å; R361-Y365 HydrophobicContact CB-CE1 4.06Å; R361-Y365 HydrophobicContact CB-CE2 4Å; R361-Y365 HydrophobicContact CB-CG 4.47Å; R361-Y365 WeakPolarHBondContact CD-OH 3.47Å; R361-Y365 PolarHBondContact O-N 2.84Å; R361-R666 VanDerWaalsContact NH2-NH1 3.17Å |
| 362 | S | 92.8 | Very high | 93 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -49.3 | -42 | 177.5 | -69.8 | 0 | 0 | 0 | 0 | 113.9 | Y319 L356 N359 Y365 L366 | Y319-S362 PolarHBondContact OH-OG 2.88Å; L356-S362 WeakPolarHBondContact O-CB 3.34Å; L356-S362 PolarHBondContact O-OG 3.16Å; N359-S362 WeakPolarHBondContact O-CB 3.31Å; N359-S362 PolarHBondContact O-N 2.93Å; N359-S362 VanDerWaalsContact O-N 3.16Å; N359-S362 PolarHBondContact O-OG 2.99Å; S362-Y365 PolarHBondContact O-N 3.35Å; S362-L366 WeakPolarHBondContact O-CB 3.48Å; S362-L366 PolarHBondContact O-N 3.33Å |
| 363 | P | 93.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 175.5 | -21.3 | 33.4 | 0 | 0 | 0 | 113.9 | S360 R361 S367 M400 E402 V405 F406 | S360-P363 WeakPolarHBondContact O-CD 3.49Å; R361-P363 VanDerWaalsContact C-N 3.3Å; P363-S367 WeakPolarHBondContact O-CB 3.39Å; P363-S367 PolarHBondContact O-N 3.36Å; P363-M400 HydrophobicContact CB-CE 4.3Å; P363-M400 HydrophobicContact CB-SD 3.67Å; P363-M400 HydrophobicContact CG-CE 4.3Å; P363-M400 HydrophobicContact CG-CG 4.36Å; P363-M400 HydrophobicContact CG-SD 3.68Å; P363-E402 HydrophobicContact CG-CB 4.29Å; P363-V405 HydrophobicContact CB-CB 4.07Å; P363-V405 HydrophobicContact CB-CG1 3.9Å; P363-V405 HydrophobicContact CG-CB 4.26Å; P363-V405 HydrophobicContact CG-CG1 4.21Å; P363-F406 HydrophobicContact CB-CB 3.99Å; P363-F406 WeakPolarHBondContact O-CD2 3.42Å |
| 364 | E | 92.1 | Very high | 92.3 | Very high | 8 Ų | 8 | 25.2 Ų | 25.2 | 4% | 0.037 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.9 | -46.7 | 176.8 | -176.1 | -175.3 | -170.2 | 0 | 0 | 110.4 | R361 L366 S367 L368 Y409 R666 | R361-E364 WeakPolarHBondContact O-CB 3.49Å; R361-E364 PolarHBondContact O-N 3.05Å; E364-L366 PolarHBondContact O-N 2.89Å; E364-S367 WeakPolarHBondContact O-CB 3.45Å; E364-S367 PolarHBondContact O-N 2.83Å; E364-S367 VanDerWaalsContact O-N 3.16Å; E364-L368 HydrophobicContact CG-CD1 4.01Å; E364-L368 HydrophobicContact CG-CG 4.46Å; E364-L368 WeakPolarHBondContact O-CG 3.44Å; E364-L368 PolarHBondContact O-N 2.94Å; E364-Y409 HydrophobicContact CB-CD1 4.47Å; E364-Y409 HydrophobicContact CB-CD2 3.81Å; E364-Y409 HydrophobicContact CB-CE1 4.38Å; E364-Y409 HydrophobicContact CB-CE2 3.71Å; E364-Y409 HydrophobicContact CB-CG 4.21Å; E364-Y409 HydrophobicContact CG-CD1 4.02Å; E364-Y409 HydrophobicContact CG-CD2 4.26Å; E364-Y409 HydrophobicContact CG-CE1 3.93Å; E364-Y409 HydrophobicContact CG-CE2 4.18Å; E364-Y409 HydrophobicContact CG-CG 4.19Å; E364-R666 IonicContact OE1-NE 3.82Å; E364-R666 WeakPolarHBondContact OE2-CD 3.19Å; E364-R666 IonicContact OE2-NE 3.38Å |
| 365 | Y | 93.1 | Very high | 91.8 | Very high | 24 Ų | 24 | 24.6 Ų | 24.6 | 9% | 0.094 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.3 | -41.3 | -176.7 | -69.9 | -5.9 | 0 | 0 | 0 | 112.5 | P316 Y319 R361 S362 S367 L368 F369 | P316-Y365 HydrophobicContact CB-CD1 3.76Å; P316-Y365 HydrophobicContact CB-CE1 4.36Å; P316-Y365 HydrophobicContact CB-CG 3.98Å; P316-Y365 HydrophobicContact CG-CD1 3.74Å; P316-Y365 HydrophobicContact CG-CE1 3.88Å; P316-Y365 HydrophobicContact CG-CG 4.39Å; Y319-Y365 AromaticContact CD1-CD2 3.76Å; Y319-Y365 HydrophobicContact CD1-CD2 3.76Å; Y319-Y365 HydrophobicContact CD1-CG 4.47Å; Y319-Y365 AromaticContact CD2-CD2 3.99Å; Y319-Y365 HydrophobicContact CD2-CD2 3.99Å; Y319-Y365 HydrophobicContact CD2-CE2 4.21Å; Y319-Y365 HydrophobicContact CE1-CD2 4.05Å; Y319-Y365 HydrophobicContact CE2-CD2 4.23Å; Y319-Y365 HydrophobicContact CE2-CE2 4.46Å; Y319-Y365 AromaticContact CG-CD2 3.74Å; Y319-Y365 HydrophobicContact CG-CD2 3.74Å; Y319-Y365 HydrophobicContact CG-CE2 4.34Å; R361-Y365 HydrophobicContact CB-CD1 4.34Å; R361-Y365 HydrophobicContact CB-CD2 4.29Å; R361-Y365 HydrophobicContact CB-CE1 4.06Å; R361-Y365 HydrophobicContact CB-CE2 4Å; R361-Y365 HydrophobicContact CB-CG 4.47Å; R361-Y365 WeakPolarHBondContact CD-OH 3.47Å; R361-Y365 PolarHBondContact O-N 2.84Å; S362-Y365 PolarHBondContact O-N 3.35Å; Y365-S367 VanDerWaalsContact C-N 3.3Å; Y365-S367 PolarHBondContact O-N 3.35Å; Y365-L368 HydrophobicContact CD1-CD1 4.45Å; Y365-L368 PolarHBondContact O-N 3.34Å; Y365-F369 WeakPolarHBondContact O-CB 3.42Å; Y365-F369 PolarHBondContact O-N 3.41Å |
| 366 | L | 95.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 173.7 | -175.3 | 60.2 | 0 | 0 | 0 | 111.4 | I320 S362 E364 F369 I370 A393 F397 M400 F406 | I320-L366 HydrophobicContact CD1-CB 3.94Å; I320-L366 HydrophobicContact CD1-CD1 4.12Å; I320-L366 HydrophobicContact CG2-CD1 4.09Å; S362-L366 WeakPolarHBondContact O-CB 3.48Å; S362-L366 PolarHBondContact O-N 3.33Å; E364-L366 PolarHBondContact O-N 2.89Å; L366-F369 PolarHBondContact O-N 3.26Å; L366-I370 HydrophobicContact CD1-CD1 4.28Å; L366-I370 HydrophobicContact CG-CD1 4.12Å; L366-I370 WeakPolarHBondContact O-CG1 3.36Å; L366-I370 PolarHBondContact O-N 3.13Å; L366-A393 HydrophobicContact CD1-CB 4.09Å; L366-F397 HydrophobicContact CD2-CB 3.91Å; L366-F397 HydrophobicContact CD2-CD2 4.31Å; L366-M400 HydrophobicContact CB-CE 4.08Å; L366-M400 HydrophobicContact CD2-CE 3.65Å; L366-F406 HydrophobicContact CB-CD2 4.25Å; L366-F406 HydrophobicContact CB-CE2 4.22Å; L366-F406 HydrophobicContact CD2-CD2 4.23Å; L366-F406 HydrophobicContact CD2-CE2 4.12Å; L366-F406 HydrophobicContact CG-CD2 4.27Å; L366-F406 HydrophobicContact CG-CE2 3.9Å |
| 367 | S | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66 | -39.9 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 112.7 | P363 E364 Y365 D371 Y410 H413 | P363-S367 WeakPolarHBondContact O-CB 3.39Å; P363-S367 PolarHBondContact O-N 3.36Å; E364-S367 WeakPolarHBondContact O-CB 3.45Å; E364-S367 PolarHBondContact O-N 2.83Å; E364-S367 VanDerWaalsContact O-N 3.16Å; Y365-S367 VanDerWaalsContact C-N 3.3Å; Y365-S367 PolarHBondContact O-N 3.35Å; S367-D371 VanDerWaalsContact O-CB 3.24Å; S367-D371 WeakPolarHBondContact O-CB 3.38Å; S367-D371 PolarHBondContact O-N 3.02Å; S367-Y410 WeakPolarHBondContact OG-CA 3.26Å; S367-Y410 PolarHBondContact OG-N 2.74Å; S367-H413 PolarHBondContact O-ND1 2.97Å; S367-H413 PolarHBondContact OG-CE1 2.87Å; S367-H413 PolarHBondContact OG-ND1 2.92Å |
| 368 | L | 92.1 | Very high | 87.9 | Confident | 26 Ų | 26 | 33.4 Ų | 33.4 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67 | -39.3 | 174.9 | -74.5 | 170.9 | 0 | 0 | 0 | 112.2 | P316 E364 Y365 D371 D372 H413 | P316-L368 HydrophobicContact CB-CB 3.96Å; P316-L368 HydrophobicContact CB-CD1 4.01Å; P316-L368 HydrophobicContact CG-CB 4.48Å; P316-L368 HydrophobicContact CG-CD1 3.68Å; E364-L368 HydrophobicContact CG-CD1 4.01Å; E364-L368 HydrophobicContact CG-CG 4.46Å; E364-L368 WeakPolarHBondContact O-CG 3.44Å; E364-L368 PolarHBondContact O-N 2.94Å; Y365-L368 HydrophobicContact CD1-CD1 4.45Å; Y365-L368 PolarHBondContact O-N 3.34Å; L368-D371 PolarHBondContact O-N 2.89Å; L368-D372 PolarHBondContact O-N 3.37Å; L368-H413 WeakPolarHBondContact CD2-CE1 3.33Å |
| 369 | F | 93 | Very high | 86.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.8 | -48 | 174.7 | 176.7 | -92 | 0 | 0 | 0 | 111.1 | V317 I320 L324 Y365 L366 D371 D372 K373 I389 A393 | V317-F369 HydrophobicContact CB-CD2 4.43Å; V317-F369 HydrophobicContact CG1-CD2 4Å; V317-F369 HydrophobicContact CG1-CE2 4.2Å; I320-F369 HydrophobicContact CB-CB 3.96Å; I320-F369 HydrophobicContact CB-CD1 4.48Å; I320-F369 HydrophobicContact CB-CD2 3.77Å; I320-F369 HydrophobicContact CB-CE2 4.37Å; I320-F369 HydrophobicContact CB-CG 3.83Å; I320-F369 HydrophobicContact CG1-CB 3.9Å; I320-F369 HydrophobicContact CG1-CG 4.32Å; I320-F369 HydrophobicContact CG2-CB 4.05Å; I320-F369 HydrophobicContact CG2-CD1 3.73Å; I320-F369 HydrophobicContact CG2-CD2 3.79Å; I320-F369 HydrophobicContact CG2-CE1 4.07Å; I320-F369 HydrophobicContact CG2-CE2 4.12Å; I320-F369 HydrophobicContact CG2-CG 3.58Å; I320-F369 HydrophobicContact CG2-CZ 4.25Å; L324-F369 HydrophobicContact CD1-CE1 4.11Å; L324-F369 HydrophobicContact CD1-CZ 3.83Å; Y365-F369 WeakPolarHBondContact O-CB 3.42Å; Y365-F369 PolarHBondContact O-N 3.41Å; L366-F369 PolarHBondContact O-N 3.26Å; F369-D371 VanDerWaalsContact C-N 3.34Å; F369-D371 PolarHBondContact O-N 2.86Å; F369-D372 WeakPolarHBondContact O-CB 3.27Å; F369-D372 PolarHBondContact O-N 3.05Å; F369-K373 HydrophobicContact CE1-CG 4.28Å; F369-K373 HydrophobicContact CZ-CG 4.42Å; F369-K373 WeakPolarHBondContact O-CG 3.18Å; F369-K373 PolarHBondContact O-N 3.05Å; F369-K373 VanDerWaalsContact O-N 3.16Å; F369-I389 HydrophobicContact CE1-CG2 3.6Å; F369-I389 HydrophobicContact CZ-CG2 3.69Å; F369-A393 HydrophobicContact CE1-CB 4.36Å |
| 370 | I | 93.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -39.9 | 177.1 | -65.1 | 162.6 | 0 | 0 | 0 | 111 | L366 D372 K373 L374 L390 A393 F406 Y410 M432 | L366-I370 HydrophobicContact CD1-CD1 4.28Å; L366-I370 HydrophobicContact CG-CD1 4.12Å; L366-I370 WeakPolarHBondContact O-CG1 3.36Å; L366-I370 PolarHBondContact O-N 3.13Å; I370-D372 VanDerWaalsContact C-N 3.31Å; I370-D372 PolarHBondContact O-N 2.91Å; I370-K373 PolarHBondContact O-N 3.26Å; I370-L374 HydrophobicContact CG2-CD1 3.64Å; I370-L374 HydrophobicContact CG2-CG 4.35Å; I370-L374 WeakPolarHBondContact O-CB 3.4Å; I370-L374 WeakPolarHBondContact O-CG 3.14Å; I370-L374 PolarHBondContact O-N 3.17Å; I370-L374 VanDerWaalsContact O-N 3.08Å; I370-L390 HydrophobicContact CG1-CD2 4.37Å; I370-L390 HydrophobicContact CG2-CD2 3.89Å; I370-A393 HydrophobicContact CD1-CB 4.41Å; I370-A393 HydrophobicContact CG1-CB 4.25Å; I370-F406 HydrophobicContact CD1-CE2 3.92Å; I370-F406 HydrophobicContact CD1-CZ 3.82Å; I370-Y410 HydrophobicContact CG2-CE2 3.81Å; I370-M432 HydrophobicContact CD1-CE 3.72Å; I370-M432 HydrophobicContact CG2-CE 4.42Å; I370-M432 HydrophobicContact CG2-CG 4.36Å; I370-M432 HydrophobicContact CG2-SD 4.35Å |
| 371 | D | 91.3 | Very high | 84.6 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -36.8 | 175.1 | 179.7 | 57.5 | 0 | 0 | 0 | 112.7 | S367 L368 F369 K375 H413 R417 | S367-D371 VanDerWaalsContact O-CB 3.24Å; S367-D371 WeakPolarHBondContact O-CB 3.38Å; S367-D371 PolarHBondContact O-N 3.02Å; L368-D371 PolarHBondContact O-N 2.89Å; F369-D371 VanDerWaalsContact C-N 3.34Å; F369-D371 PolarHBondContact O-N 2.86Å; D371-K375 VanDerWaalsContact CG-CE 3.4Å; D371-K375 WeakPolarHBondContact O-CD 3.48Å; D371-K375 VanDerWaalsContact O-CG 3.24Å; D371-K375 WeakPolarHBondContact O-CG 3.48Å; D371-K375 PolarHBondContact O-N 3.29Å; D371-K375 WeakPolarHBondContact OD1-CE 3.38Å; D371-K375 IonicContact OD1-NZ 2.95Å; D371-K375 WeakPolarHBondContact OD2-CE 3.45Å; D371-K375 IonicContact OD2-NZ 3.53Å; D371-K375 PolarHBondContact OD2-NZ 3.16Å; D371-H413 HydrophobicContact CB-CB 4Å; D371-R417 VanDerWaalsContact OD1-CD 3.27Å; D371-R417 WeakPolarHBondContact OD1-CD 3.43Å; D371-R417 WeakPolarHBondContact OD1-CG 3.36Å; D371-R417 IonicContact OD1-CZ 2.81Å; D371-R417 IonicContact OD1-NE 3.21Å; D371-R417 IonicContact OD1-NH1 2.79Å; D371-R417 PolarHBondContact OD1-NH1 3.32Å |
| 372 | D | 89.2 | Confident | 84.3 | Confident | 53 Ų | 53 | 42.2 Ų | 42.2 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.3 | -50.6 | 172.8 | -177.8 | 68.7 | 0 | 0 | 0 | 111.2 | V317 L368 F369 I370 L374 K375 V378 | V317-D372 HydrophobicContact CG2-CB 4.18Å; L368-D372 PolarHBondContact O-N 3.37Å; F369-D372 WeakPolarHBondContact O-CB 3.27Å; F369-D372 PolarHBondContact O-N 3.05Å; I370-D372 VanDerWaalsContact C-N 3.31Å; I370-D372 PolarHBondContact O-N 2.91Å; D372-L374 VanDerWaalsContact C-N 3.26Å; D372-L374 PolarHBondContact O-N 3.06Å; D372-K375 PolarHBondContact O-N 2.87Å; D372-V378 WeakPolarHBondContact O-CG2 3.35Å |
| 373 | K | 88.6 | Confident | 83.8 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.4 | -22.3 | -177.4 | -57.6 | -48.4 | 174.6 | -154.8 | 0 | 114.4 | F369 I370 L381 I389 | F369-K373 HydrophobicContact CE1-CG 4.28Å; F369-K373 HydrophobicContact CZ-CG 4.42Å; F369-K373 WeakPolarHBondContact O-CG 3.18Å; F369-K373 PolarHBondContact O-N 3.05Å; F369-K373 VanDerWaalsContact O-N 3.16Å; I370-K373 PolarHBondContact O-N 3.26Å; K373-L381 HydrophobicContact CD-CD1 4.45Å; K373-I389 HydrophobicContact CG-CG2 4.11Å |
| 374 | L | 89.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 3.7 | 179.8 | -68.4 | 173.8 | 0 | 0 | 0 | 114.3 | I370 D372 V386 L390 S423 V424 M432 | I370-L374 HydrophobicContact CG2-CD1 3.64Å; I370-L374 HydrophobicContact CG2-CG 4.35Å; I370-L374 WeakPolarHBondContact O-CB 3.4Å; I370-L374 WeakPolarHBondContact O-CG 3.14Å; I370-L374 PolarHBondContact O-N 3.17Å; I370-L374 VanDerWaalsContact O-N 3.08Å; D372-L374 VanDerWaalsContact C-N 3.26Å; D372-L374 PolarHBondContact O-N 3.06Å; L374-V386 HydrophobicContact CD2-CG1 4.45Å; L374-L390 HydrophobicContact CD2-CD1 4.16Å; L374-S423 WeakPolarHBondContact O-CA 3.47Å; L374-V424 WeakPolarHBondContact O-CG2 3.42Å; L374-V424 PolarHBondContact O-N 2.98Å; L374-M432 HydrophobicContact CD1-CG 4.47Å |
| 375 | K | 86.8 | Confident | 83.2 | Confident | 74 Ų | 74 | 57.9 Ų | 57.9 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -89 | 137.3 | 178.1 | -83.2 | 166.1 | -170.8 | 160.1 | 0 | 113.9 | D371 D372 G377 V378 R417 K422 V424 | D371-K375 VanDerWaalsContact CG-CE 3.4Å; D371-K375 WeakPolarHBondContact O-CD 3.48Å; D371-K375 VanDerWaalsContact O-CG 3.24Å; D371-K375 WeakPolarHBondContact O-CG 3.48Å; D371-K375 PolarHBondContact O-N 3.29Å; D371-K375 WeakPolarHBondContact OD1-CE 3.38Å; D371-K375 IonicContact OD1-NZ 2.95Å; D371-K375 WeakPolarHBondContact OD2-CE 3.45Å; D371-K375 IonicContact OD2-NZ 3.53Å; D371-K375 PolarHBondContact OD2-NZ 3.16Å; D372-K375 PolarHBondContact O-N 2.87Å; K375-G377 PolarHBondContact O-N 3.39Å; K375-V378 WeakPolarHBondContact O-CG2 3.43Å; K375-V378 PolarHBondContact O-N 3.41Å; K375-R417 HydrophobicContact CG-CG 4.46Å; K375-K422 CarbonylContact C-O 3.59Å; K375-K422 WeakPolarHBondContact CA-O 3.39Å; K375-V424 WeakPolarHBondContact O-CG2 3.25Å |
| 376 | K | 73.1 | Confident | 82.9 | Confident | 114 Ų | 114 | 57.3 Ų | 57.3 | 50% | 0.496 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 128.8 | 169.7 | -77.9 | 177.8 | 174 | 151.6 | 0 | 110.3 | N421 K422 S423 | K376-N421 PolarHBondContact NZ-O 3.1Å; K376-N421 PolarHBondContact NZ-OD1 3.46Å; K376-N421 VanDerWaalsContact NZ-OD1 3.11Å; K376-K422 PolarHBondContact N-O 3.28Å; K376-S423 WeakPolarHBondContact CD-O 3.33Å; K376-S423 WeakPolarHBondContact CE-O 3.5Å; K376-S423 WeakPolarHBondContact CG-O 3.47Å |
| 377 | G | 62.2 | Low | 82.6 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 72% | 0.722 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.1 | 6.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K375 K379 | K375-G377 PolarHBondContact O-N 3.39Å; G377-K379 VanDerWaalsContact C-N 3.34Å; G377-K379 PolarHBondContact O-N 3.16Å |
| 378 | V | 63.4 | Low | 82.4 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 30% | 0.303 | 35% | 0.346 | S | S | . | . | trans | -64.5 | 98.3 | 160 | -179.6 | 0 | 0 | 0 | 0 | 107.1 | D372 K375 G380 L381 | D372-V378 WeakPolarHBondContact O-CG2 3.35Å; K375-V378 WeakPolarHBondContact O-CG2 3.43Å; K375-V378 PolarHBondContact O-N 3.41Å; V378-G380 PolarHBondContact O-N 3.1Å; V378-L381 HydrophobicContact CG1-CD1 4.01Å; V378-L381 HydrophobicContact CG1-CG 4.49Å | ||
| 379 | K | 58.9 | Low | 82.3 | Confident | 208 Ų | 208 | 63.4 Ų | 63.4 | 90% | 0.904 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 124.5 | -176.7 | -69 | -175.6 | 177.4 | -176.1 | 0 | 109.4 | G377 | G377-K379 VanDerWaalsContact C-N 3.34Å; G377-K379 PolarHBondContact O-N 3.16Å |
| 380 | G | 66.6 | Low | 82.3 | Confident | 77 Ų | 77 | 63.6 Ų | 63.6 | 79% | 0.794 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.3 | 7.5 | 162 | 0 | 0 | 0 | 0 | 0 | 117.7 | V378 | V378-G380 PolarHBondContact O-N 3.1Š|
| 381 | L | 76.8 | Confident | 82.3 | Confident | 66 Ų | 66 | 67.1 Ų | 67.1 | 35% | 0.346 | 37% | 0.367 | S | S | . | . | trans | -108.3 | 135.2 | 171.5 | -65.4 | 174 | 0 | 0 | 0 | 111 | K373 V378 E385 V386 I389 | K373-L381 HydrophobicContact CD-CD1 4.45Å; V378-L381 HydrophobicContact CG1-CD1 4.01Å; V378-L381 HydrophobicContact CG1-CG 4.49Å; L381-E385 WeakPolarHBondContact CA-OE2 3.24Å; L381-E385 HydrophobicContact CD2-CB 4.15Å; L381-V386 HydrophobicContact CB-CG2 4.06Å; L381-V386 HydrophobicContact CD1-CG2 4.47Å; L381-I389 HydrophobicContact CD1-CD1 4.04Å | ||
| 382 | T | 83.9 | Confident | 82.4 | Confident | 79 Ų | 79 | 71.7 Ų | 71.7 | 49% | 0.485 | 39% | 0.387 | S | S | . | . | trans | -76.7 | 159.6 | 169.3 | 62.3 | 0 | 0 | 0 | 0 | 110.9 | Q384 E385 V386 | T382-Q384 PolarHBondContact O-N 3.43Å; T382-E385 WeakPolarHBondContact CB-OE2 3.44Å; T382-E385 PolarHBondContact N-OE2 2.67Å; T382-E385 PolarHBondContact O-N 3.04Å; T382-E385 VanDerWaalsContact OG1-CD 3.3Å; T382-E385 VanDerWaalsContact OG1-CG 3.24Å; T382-E385 WeakPolarHBondContact OG1-CG 3.32Å; T382-E385 PolarHBondContact OG1-N 2.91Å; T382-E385 PolarHBondContact OG1-OE2 3.37Å; T382-V386 WeakPolarHBondContact O-CG2 3.36Å; T382-V386 PolarHBondContact O-N 3.46Å | ||
| 383 | E | 81.4 | Confident | 82.7 | Confident | 131 Ų | 131 | 69.1 Ų | 69.1 | 61% | 0.612 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57.9 | -35.8 | 176.5 | -66.7 | -173.3 | 160.6 | 0 | 0 | 112.2 | V386 E387 | E383-V386 PolarHBondContact O-N 2.9Å; E383-E387 PolarHBondContact O-N 3.22Å |
| 384 | Q | 86.5 | Confident | 83.1 | Confident | 122 Ų | 122 | 68.1 Ų | 68.1 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -67 | -39.2 | 177.8 | -168.2 | 63.1 | 51.2 | 0 | 0 | 112.9 | T382 E387 T388 | T382-Q384 PolarHBondContact O-N 3.43Å; Q384-E387 PolarHBondContact O-N 3.45Å; Q384-T388 PolarHBondContact O-N 3.13Å; Q384-T388 PolarHBondContact O-OG1 3.43Å |
| 385 | E | 86.7 | Confident | 83.3 | Confident | 89 Ų | 89 | 69.5 Ų | 69.5 | 42% | 0.416 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.8 | -40.4 | 175.7 | -72.7 | 165.9 | 138.1 | 0 | 0 | 110.9 | L381 T382 E387 T388 I389 | L381-E385 WeakPolarHBondContact CA-OE2 3.24Å; L381-E385 HydrophobicContact CD2-CB 4.15Å; T382-E385 WeakPolarHBondContact CB-OE2 3.44Å; T382-E385 PolarHBondContact N-OE2 2.67Å; T382-E385 PolarHBondContact O-N 3.04Å; T382-E385 VanDerWaalsContact OG1-CD 3.3Å; T382-E385 VanDerWaalsContact OG1-CG 3.24Å; T382-E385 WeakPolarHBondContact OG1-CG 3.32Å; T382-E385 PolarHBondContact OG1-N 2.91Å; T382-E385 PolarHBondContact OG1-OE2 3.37Å; E385-E387 VanDerWaalsContact C-N 3.34Å; E385-E387 PolarHBondContact O-N 2.91Å; E385-T388 PolarHBondContact O-N 3.21Å; E385-I389 VanDerWaalsContact O-CG1 3.27Å; E385-I389 WeakPolarHBondContact O-CG1 3.44Å; E385-I389 PolarHBondContact O-N 2.69Å |
| 386 | V | 86 | Confident | 83.7 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.1 | -47.6 | 173.5 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | L374 L381 T382 E383 T388 I389 L390 | L374-V386 HydrophobicContact CD2-CG1 4.45Å; L381-V386 HydrophobicContact CB-CG2 4.06Å; L381-V386 HydrophobicContact CD1-CG2 4.47Å; T382-V386 WeakPolarHBondContact O-CG2 3.36Å; T382-V386 PolarHBondContact O-N 3.46Å; E383-V386 PolarHBondContact O-N 2.9Å; V386-T388 VanDerWaalsContact C-N 3.35Å; V386-T388 PolarHBondContact O-N 3.35Å; V386-I389 PolarHBondContact O-N 3.49Å; V386-L390 HydrophobicContact CG1-CD1 4.17Å; V386-L390 HydrophobicContact CG1-CG 4.34Å; V386-L390 WeakPolarHBondContact O-CG 3.2Å; V386-L390 PolarHBondContact O-N 2.94Å |
| 387 | E | 88.9 | Confident | 84.8 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 28% | 0.28 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 177.8 | -179.1 | 165.6 | -144.1 | 0 | 0 | 112.3 | E383 Q384 E385 I389 L390 D391 N431 K435 | E383-E387 PolarHBondContact O-N 3.22Å; Q384-E387 PolarHBondContact O-N 3.45Å; E385-E387 VanDerWaalsContact C-N 3.34Å; E385-E387 PolarHBondContact O-N 2.91Å; E387-I389 VanDerWaalsContact C-N 3.27Å; E387-I389 PolarHBondContact O-N 2.92Å; E387-L390 WeakPolarHBondContact O-CB 3.46Å; E387-L390 PolarHBondContact O-N 3.33Å; E387-L390 VanDerWaalsContact O-N 3.09Å; E387-D391 PolarHBondContact O-N 3.41Å; E387-N431 PolarHBondContact OE1-ND2 2.94Å; E387-K435 IonicContact OE1-NZ 3.84Å |
| 388 | T | 91.3 | Very high | 86.4 | Confident | 63 Ų | 63 | 62.9 Ų | 62.9 | 39% | 0.387 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60 | -39.3 | 177.8 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | Q384 E385 V386 D391 K392 | Q384-T388 PolarHBondContact O-N 3.13Å; Q384-T388 PolarHBondContact O-OG1 3.43Å; E385-T388 PolarHBondContact O-N 3.21Å; V386-T388 VanDerWaalsContact C-N 3.35Å; V386-T388 PolarHBondContact O-N 3.35Å; T388-D391 PolarHBondContact O-N 3.12Å; T388-K392 WeakPolarHBondContact O-CG 3.48Å; T388-K392 PolarHBondContact O-N 2.83Å; T388-K392 VanDerWaalsContact O-N 3.15Å |
| 389 | I | 90.3 | Very high | 87.9 | Confident | 32 Ų | 32 | 61.7 Ų | 61.7 | 16% | 0.164 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67 | -40.9 | 176 | -68.5 | 164.8 | 0 | 0 | 0 | 110.9 | F369 K373 L381 E385 V386 E387 K392 A393 | F369-I389 HydrophobicContact CE1-CG2 3.6Å; F369-I389 HydrophobicContact CZ-CG2 3.69Å; K373-I389 HydrophobicContact CG-CG2 4.11Å; L381-I389 HydrophobicContact CD1-CD1 4.04Å; E385-I389 VanDerWaalsContact O-CG1 3.27Å; E385-I389 WeakPolarHBondContact O-CG1 3.44Å; E385-I389 PolarHBondContact O-N 2.69Å; V386-I389 PolarHBondContact O-N 3.49Å; E387-I389 VanDerWaalsContact C-N 3.27Å; E387-I389 PolarHBondContact O-N 2.92Å; I389-K392 PolarHBondContact O-N 3.24Å; I389-A393 WeakPolarHBondContact O-CB 3.41Å; I389-A393 PolarHBondContact O-N 2.88Å |
| 390 | L | 92.4 | Very high | 89.5 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 177.1 | -65.4 | 178.7 | 0 | 0 | 0 | 111.6 | I370 L374 V386 E387 K392 A393 M394 M432 | I370-L390 HydrophobicContact CG1-CD2 4.37Å; I370-L390 HydrophobicContact CG2-CD2 3.89Å; L374-L390 HydrophobicContact CD2-CD1 4.16Å; V386-L390 HydrophobicContact CG1-CD1 4.17Å; V386-L390 HydrophobicContact CG1-CG 4.34Å; V386-L390 WeakPolarHBondContact O-CG 3.2Å; V386-L390 PolarHBondContact O-N 2.94Å; E387-L390 WeakPolarHBondContact O-CB 3.46Å; E387-L390 PolarHBondContact O-N 3.33Å; E387-L390 VanDerWaalsContact O-N 3.09Å; L390-K392 VanDerWaalsContact C-N 3.34Å; L390-K392 PolarHBondContact O-N 2.83Å; L390-A393 WeakPolarHBondContact O-CB 3.35Å; L390-A393 PolarHBondContact O-N 2.93Å; L390-M394 VanDerWaalsContact O-CG 3.32Å; L390-M394 WeakPolarHBondContact O-CG 3.3Å; L390-M394 PolarHBondContact O-N 2.81Å; L390-M432 HydrophobicContact CB-SD 4.25Å; L390-M432 HydrophobicContact CD1-CB 4.45Å; L390-M432 HydrophobicContact CD1-SD 4.26Å; L390-M432 HydrophobicContact CD2-SD 3.95Å; L390-M432 HydrophobicContact CG-SD 4.37Å |
| 391 | D | 94.3 | Very high | 90.8 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 40% | 0.396 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 175 | -77.8 | -31 | 0 | 0 | 0 | 112.2 | E387 T388 M394 V395 K435 | E387-D391 PolarHBondContact O-N 3.41Å; T388-D391 PolarHBondContact O-N 3.12Å; D391-M394 PolarHBondContact O-N 3.14Å; D391-V395 PolarHBondContact O-N 3.36Å; D391-K435 WeakPolarHBondContact OD1-CD 3.44Å; D391-K435 WeakPolarHBondContact OD1-CE 3.33Å; D391-K435 IonicContact OD1-NZ 3.13Å; D391-K435 PolarHBondContact OD1-NZ 3.36Å; D391-K435 IonicContact OD2-NZ 3.94Å |
| 392 | K | 94.1 | Very high | 91.5 | Very high | 99 Ų | 99 | 50.2 Ų | 50.2 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63 | -42 | 173.9 | -73 | -176.8 | -179 | -171.7 | 0 | 112 | L324 T388 I389 L390 M394 V395 L396 | L324-K392 HydrophobicContact CD1-CB 4.45Å; L324-K392 HydrophobicContact CD2-CB 3.93Å; L324-K392 WeakPolarHBondContact CD2-O 3.31Å; T388-K392 WeakPolarHBondContact O-CG 3.48Å; T388-K392 PolarHBondContact O-N 2.83Å; T388-K392 VanDerWaalsContact O-N 3.15Å; I389-K392 PolarHBondContact O-N 3.24Å; L390-K392 VanDerWaalsContact C-N 3.34Å; L390-K392 PolarHBondContact O-N 2.83Å; K392-M394 VanDerWaalsContact C-N 3.28Å; K392-M394 PolarHBondContact O-N 3.04Å; K392-V395 WeakPolarHBondContact O-CB 3.26Å; K392-V395 PolarHBondContact O-N 3.49Å; K392-V395 VanDerWaalsContact O-N 3.15Å; K392-L396 PolarHBondContact O-N 3.21Å |
| 393 | A | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -35.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L366 F369 I370 I389 L390 V395 L396 F397 | L366-A393 HydrophobicContact CD1-CB 4.09Å; F369-A393 HydrophobicContact CE1-CB 4.36Å; I370-A393 HydrophobicContact CD1-CB 4.41Å; I370-A393 HydrophobicContact CG1-CB 4.25Å; I389-A393 WeakPolarHBondContact O-CB 3.41Å; I389-A393 PolarHBondContact O-N 2.88Å; L390-A393 WeakPolarHBondContact O-CB 3.35Å; L390-A393 PolarHBondContact O-N 2.93Å; A393-V395 VanDerWaalsContact C-N 3.29Å; A393-V395 PolarHBondContact O-N 2.82Å; A393-L396 PolarHBondContact O-N 3.08Å; A393-L396 VanDerWaalsContact O-N 3.17Å; A393-F397 PolarHBondContact O-N 3.47Å |
| 394 | M | 95.8 | Very high | 92.6 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.1 | -27.7 | 175.6 | -72.8 | -56.1 | -59 | 0 | 0 | 113.1 | L390 D391 K392 F397 R398 M432 K435 L436 E439 | L390-M394 VanDerWaalsContact O-CG 3.32Å; L390-M394 WeakPolarHBondContact O-CG 3.3Å; L390-M394 PolarHBondContact O-N 2.81Å; D391-M394 PolarHBondContact O-N 3.14Å; K392-M394 VanDerWaalsContact C-N 3.28Å; K392-M394 PolarHBondContact O-N 3.04Å; M394-F397 HydrophobicContact CE-CB 4.29Å; M394-F397 HydrophobicContact CE-CD1 3.46Å; M394-F397 VanDerWaalsContact CE-CD1 3.46Å; M394-F397 HydrophobicContact CE-CE1 4.05Å; M394-F397 HydrophobicContact CE-CG 4.08Å; M394-F397 WeakPolarHBondContact O-CB 3.5Å; M394-F397 PolarHBondContact O-N 3.33Å; M394-F397 HydrophobicContact SD-CB 4.23Å; M394-F397 HydrophobicContact SD-CD1 4.3Å; M394-F397 HydrophobicContact SD-CG 4.34Å; M394-R398 PolarHBondContact O-N 2.86Å; M394-M432 HydrophobicContact CG-CE 4.25Å; M394-M432 HydrophobicContact SD-CE 3.36Å; M394-M432 WeakPolarHBondContact SD-CE 3.44Å; M394-M432 HydrophobicContact SD-SD 4.4Å; M394-K435 HydrophobicContact CE-CB 4.34Å; M394-K435 HydrophobicContact CG-CB 4.09Å; M394-K435 HydrophobicContact CG-CD 4.1Å; M394-K435 HydrophobicContact SD-CB 4.37Å; M394-L436 HydrophobicContact CE-CD2 4.04Å; M394-L436 HydrophobicContact SD-CD2 4Å; M394-E439 HydrophobicContact CE-CB 4.29Å; M394-E439 HydrophobicContact CE-CG 3.54Å |
| 395 | V | 94.5 | Very high | 93 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 18% | 0.182 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 170.4 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | D391 K392 A393 R398 F399 | D391-V395 PolarHBondContact O-N 3.36Å; K392-V395 WeakPolarHBondContact O-CB 3.26Å; K392-V395 PolarHBondContact O-N 3.49Å; K392-V395 VanDerWaalsContact O-N 3.15Å; A393-V395 VanDerWaalsContact C-N 3.29Å; A393-V395 PolarHBondContact O-N 2.82Å; V395-R398 PolarHBondContact O-N 3.46Å; V395-F399 HydrophobicContact CG1-CE2 3.72Å; V395-F399 HydrophobicContact CG1-CZ 4.09Å; V395-F399 VanDerWaalsContact O-CD2 3.32Å; V395-F399 WeakPolarHBondContact O-CD2 3.36Å |
| 396 | L | 95.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | 175 | -64.4 | -176.4 | 0 | 0 | 0 | 111.9 | I320 L323 L324 F352 L356 K392 A393 R398 F399 M400 | I320-L396 HydrophobicContact CG2-CD1 4.06Å; L323-L396 HydrophobicContact CB-CD1 3.92Å; L323-L396 HydrophobicContact CB-CD2 4.39Å; L324-L396 HydrophobicContact CD2-CD1 3.47Å; L324-L396 VanDerWaalsContact CD2-CD1 3.47Å; L324-L396 HydrophobicContact CD2-CG 3.71Å; L324-L396 HydrophobicContact CG-CD1 3.89Å; F352-L396 HydrophobicContact CD1-CD2 4.12Å; F352-L396 HydrophobicContact CE1-CD2 4.36Å; L356-L396 VanDerWaalsContact CD2-O 3.24Å; L356-L396 WeakPolarHBondContact CD2-O 3.34Å; K392-L396 PolarHBondContact O-N 3.21Å; A393-L396 PolarHBondContact O-N 3.08Å; A393-L396 VanDerWaalsContact O-N 3.17Å; L396-R398 PolarHBondContact O-N 3.1Å; L396-F399 HydrophobicContact CD2-CD2 4.44Å; L396-F399 PolarHBondContact O-N 3.42Å; L396-F399 VanDerWaalsContact O-N 3.09Å; L396-M400 PolarHBondContact O-N 3.09Å |
| 397 | F | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.1 | -38.8 | 174.9 | 178 | -101.3 | 0 | 0 | 0 | 112.3 | L366 A393 M394 F399 M400 K403 F406 L436 E439 C440 F444 | L366-F397 HydrophobicContact CD2-CB 3.91Å; L366-F397 HydrophobicContact CD2-CD2 4.31Å; A393-F397 PolarHBondContact O-N 3.47Å; M394-F397 HydrophobicContact CE-CB 4.29Å; M394-F397 HydrophobicContact CE-CD1 3.46Å; M394-F397 VanDerWaalsContact CE-CD1 3.46Å; M394-F397 HydrophobicContact CE-CE1 4.05Å; M394-F397 HydrophobicContact CE-CG 4.08Å; M394-F397 WeakPolarHBondContact O-CB 3.5Å; M394-F397 PolarHBondContact O-N 3.33Å; M394-F397 HydrophobicContact SD-CB 4.23Å; M394-F397 HydrophobicContact SD-CD1 4.3Å; M394-F397 HydrophobicContact SD-CG 4.34Å; F397-F399 VanDerWaalsContact C-N 3.29Å; F397-F399 PolarHBondContact O-N 3.37Å; F397-M400 VanDerWaalsContact O-CB 3.27Å; F397-M400 WeakPolarHBondContact O-CB 3.28Å; F397-M400 PolarHBondContact O-N 2.98Å; F397-M400 VanDerWaalsContact O-N 3.1Å; F397-K403 HydrophobicContact CE1-CD 3.86Å; F397-K403 HydrophobicContact CE1-CG 4.42Å; F397-K403 HydrophobicContact CE2-CB 4.03Å; F397-K403 HydrophobicContact CE2-CD 4.26Å; F397-K403 HydrophobicContact CE2-CG 3.93Å; F397-K403 HydrophobicContact CZ-CB 3.94Å; F397-K403 HydrophobicContact CZ-CD 3.65Å; F397-K403 HydrophobicContact CZ-CG 3.82Å; F397-K403 WeakPolarHBondContact O-CE 3.41Å; F397-F406 AromaticContact CD2-CD1 3.95Å; F397-F406 HydrophobicContact CD2-CD1 3.95Å; F397-F406 HydrophobicContact CD2-CD2 4.41Å; F397-F406 HydrophobicContact CD2-CE1 4.13Å; F397-F406 HydrophobicContact CD2-CG 4.1Å; F397-F406 HydrophobicContact CD2-CZ 4.44Å; F397-F406 HydrophobicContact CE2-CB 4.31Å; F397-F406 AromaticContact CE2-CD1 3.43Å; F397-F406 HydrophobicContact CE2-CD1 3.43Å; F397-F406 VanDerWaalsContact CE2-CD1 3.43Å; F397-F406 AromaticContact CE2-CE1 3.86Å; F397-F406 HydrophobicContact CE2-CE1 3.86Å; F397-F406 AromaticContact CE2-CG 3.87Å; F397-F406 HydrophobicContact CE2-CG 3.87Å; F397-F406 HydrophobicContact CZ-CD1 4.42Å; F397-L436 HydrophobicContact CD1-CD2 4.48Å; F397-L436 HydrophobicContact CE1-CD2 4.1Å; F397-L436 HydrophobicContact CE2-CD2 4.18Å; F397-L436 HydrophobicContact CZ-CD2 3.92Å; F397-E439 HydrophobicContact CD1-CB 4.43Å; F397-E439 HydrophobicContact CE1-CB 4.04Å; F397-C440 VanDerWaalsContact CE1-SG 3.56Å; F397-C440 VanDerWaalsContact CZ-SG 3.56Å; F397-F444 HydrophobicContact CZ-CE1 4.46Å; F397-F444 HydrophobicContact CZ-CZ 4.2Å |
| 398 | R | 94.8 | Very high | 94 | Very high | 116 Ų | 116 | 31.1 Ų | 31.1 | 44% | 0.438 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61 | -36.9 | 176.9 | -80.6 | -174 | -109.9 | 126.6 | 1.6 | 113.1 | M394 V395 L396 M400 K403 E439 | M394-R398 PolarHBondContact O-N 2.86Å; V395-R398 PolarHBondContact O-N 3.46Å; L396-R398 PolarHBondContact O-N 3.1Å; R398-M400 PolarHBondContact O-N 2.76Å; R398-K403 PolarHBondContact O-NZ 2.92Å; R398-E439 VanDerWaalsContact CD-OE1 3.23Å; R398-E439 WeakPolarHBondContact CD-OE1 3.45Å; R398-E439 VanDerWaalsContact CD-OE2 3.28Å; R398-E439 WeakPolarHBondContact CD-OE2 3.41Å; R398-E439 HydrophobicContact CG-CG 4.4Å; R398-E439 WeakPolarHBondContact CG-OE2 3.34Å; R398-E439 IonicContact CZ-OE1 3.64Å; R398-E439 IonicContact NE-OE1 3.21Å; R398-E439 PolarHBondContact NE-OE1 3.36Å; R398-E439 IonicContact NE-OE2 2.66Å |
| 399 | F | 94.8 | Very high | 94.1 | Very high | 25 Ų | 25 | 28.8 Ų | 28.8 | 11% | 0.11 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -76.4 | -8.4 | 177.5 | -58.1 | -41.7 | 0 | 0 | 0 | 113.7 | K327 A349 F352 E353 L356 N357 V395 L396 F397 | K327-F399 HydrophobicContact CD-CE2 4.45Å; A349-F399 HydrophobicContact CB-CE1 3.82Å; A349-F399 HydrophobicContact CB-CZ 4.22Å; F352-F399 HydrophobicContact CB-CD2 3.59Å; F352-F399 HydrophobicContact CB-CE2 3.72Å; F352-F399 HydrophobicContact CB-CG 4.07Å; F352-F399 HydrophobicContact CB-CZ 4.33Å; F352-F399 HydrophobicContact CD1-CD2 4.39Å; F352-F399 HydrophobicContact CD1-CE2 4.42Å; F352-F399 HydrophobicContact CG-CD2 4.25Å; F352-F399 HydrophobicContact CG-CE2 4.11Å; E353-F399 HydrophobicContact CB-CB 4.32Å; L356-F399 HydrophobicContact CD2-CB 3.91Å; N357-F399 PolarHBondContact ND2-O 3.17Å; V395-F399 HydrophobicContact CG1-CE2 3.72Å; V395-F399 HydrophobicContact CG1-CZ 4.09Å; V395-F399 VanDerWaalsContact O-CD2 3.32Å; V395-F399 WeakPolarHBondContact O-CD2 3.36Å; L396-F399 HydrophobicContact CD2-CD2 4.44Å; L396-F399 PolarHBondContact O-N 3.42Å; L396-F399 VanDerWaalsContact O-N 3.09Å; F397-F399 VanDerWaalsContact C-N 3.29Å; F397-F399 PolarHBondContact O-N 3.37Å |
| 400 | M | 93.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | trans | -80.5 | 134.9 | 179.9 | -167.8 | 173.5 | -70.4 | 0 | 0 | 111.5 | L356 P363 L366 L396 F397 R398 K403 F406 | L356-M400 HydrophobicContact CD2-CB 4.28Å; P363-M400 HydrophobicContact CB-CE 4.3Å; P363-M400 HydrophobicContact CB-SD 3.67Å; P363-M400 HydrophobicContact CG-CE 4.3Å; P363-M400 HydrophobicContact CG-CG 4.36Å; P363-M400 HydrophobicContact CG-SD 3.68Å; L366-M400 HydrophobicContact CB-CE 4.08Å; L366-M400 HydrophobicContact CD2-CE 3.65Å; L396-M400 PolarHBondContact O-N 3.09Å; F397-M400 VanDerWaalsContact O-CB 3.27Å; F397-M400 WeakPolarHBondContact O-CB 3.28Å; F397-M400 PolarHBondContact O-N 2.98Å; F397-M400 VanDerWaalsContact O-N 3.1Å; R398-M400 PolarHBondContact O-N 2.76Å; M400-K403 PolarHBondContact O-NZ 3.45Å; M400-F406 HydrophobicContact SD-CB 3.99Å | ||
| 401 | Q | 92.3 | Very high | 94.3 | Very high | 69 Ų | 69 | 27.6 Ų | 27.6 | 32% | 0.322 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -85.6 | -43.5 | 175.5 | -70.9 | 177.1 | 6.8 | 0 | 0 | 111.8 | E353 N357 K403 F712 | E353-Q401 PolarHBondContact OE1-NE2 2.87Å; N357-Q401 PolarHBondContact OD1-N 3.46Å; Q401-K403 PolarHBondContact O-N 2.83Å; Q401-K403 VanDerWaalsContact O-N 3.14Å; Q401-F712 WeakPolarHBondContact O-CA 3.37Å |
| 402 | E | 92.9 | Very high | 94.1 | Very high | 39 Ų | 39 | 25.4 Ų | 25.4 | 18% | 0.182 | 11% | 0.112 | C | C | . | . | trans | -88.9 | 63.6 | -177.8 | -56.7 | -158.5 | 109.1 | 0 | 0 | 112.9 | P363 D404 V405 F406 R670 R677 | P363-E402 HydrophobicContact CG-CB 4.29Å; E402-D404 VanDerWaalsContact C-N 3.28Å; E402-D404 PolarHBondContact O-N 3.02Å; E402-V405 HydrophobicContact CB-CB 4.16Å; E402-V405 HydrophobicContact CB-CG2 3.86Å; E402-V405 PolarHBondContact O-N 3.17Å; E402-F406 PolarHBondContact O-N 3.39Å; E402-R670 VanDerWaalsContact CD-NH2 3.27Å; E402-R670 IonicContact OE1-CZ 2.72Å; E402-R670 IonicContact OE1-NH1 3.23Å; E402-R670 IonicContact OE1-NH2 3.89Å; E402-R670 PolarHBondContact OE1-NH2 3.37Å; E402-R670 IonicContact OE2-CZ 3.63Å; E402-R670 VanDerWaalsContact OE2-CZ 3.27Å; E402-R670 IonicContact OE2-NH1 2.66Å; E402-R670 PolarHBondContact OE2-NH1 3Å; E402-R670 IonicContact OE2-NH2 2.67Å; E402-R670 PolarHBondContact OE2-NH2 3.17Å; E402-R677 IonicContact OE1-CZ 3.86Å; E402-R677 IonicContact OE1-NH1 3.91Å; E402-R677 PolarHBondContact OE1-NH1 2.77Å; E402-R677 IonicContact OE1-NH2 3.27Å; E402-R677 PolarHBondContact OE1-NH2 2.82Å | ||
| 403 | K | 95.1 | Very high | 93.9 | Very high | 24 Ų | 24 | 20.9 Ų | 20.9 | 10% | 0.104 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.2 | -25.3 | -177.7 | -62.4 | -178.9 | 171.6 | 74.8 | 0 | 113.1 | F397 R398 M400 Q401 F406 E407 F444 A710 R711 | F397-K403 HydrophobicContact CE1-CD 3.86Å; F397-K403 HydrophobicContact CE1-CG 4.42Å; F397-K403 HydrophobicContact CE2-CB 4.03Å; F397-K403 HydrophobicContact CE2-CD 4.26Å; F397-K403 HydrophobicContact CE2-CG 3.93Å; F397-K403 HydrophobicContact CZ-CB 3.94Å; F397-K403 HydrophobicContact CZ-CD 3.65Å; F397-K403 HydrophobicContact CZ-CG 3.82Å; F397-K403 WeakPolarHBondContact O-CE 3.41Å; R398-K403 PolarHBondContact O-NZ 2.92Å; M400-K403 PolarHBondContact O-NZ 3.45Å; Q401-K403 PolarHBondContact O-N 2.83Å; Q401-K403 VanDerWaalsContact O-N 3.14Å; K403-F406 WeakPolarHBondContact O-CB 3.4Å; K403-F406 PolarHBondContact O-N 3.25Å; K403-E407 PolarHBondContact O-N 2.89Å; K403-F444 HydrophobicContact CB-CE2 4.39Å; K403-A710 WeakPolarHBondContact CD-O 3.34Å; K403-R711 WeakPolarHBondContact CA-O 3.48Å; K403-R711 WeakPolarHBondContact CB-O 3.15Å; K403-R711 PolarHBondContact N-O 3.17Å |
| 404 | D | 93.2 | Very high | 93.7 | Very high | 11 Ų | 11 | 20.9 Ų | 20.9 | 6% | 0.059 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.9 | -36.8 | 173.4 | 60.9 | -20.6 | 0 | 0 | 0 | 113.2 | E402 F406 E407 R408 R677 R711 F712 | E402-D404 VanDerWaalsContact C-N 3.28Å; E402-D404 PolarHBondContact O-N 3.02Å; D404-F406 VanDerWaalsContact C-N 3.35Å; D404-E407 WeakPolarHBondContact O-CB 3.43Å; D404-E407 PolarHBondContact O-N 3.01Å; D404-R408 PolarHBondContact O-N 3.5Å; D404-R408 VanDerWaalsContact O-N 3.09Å; D404-R677 IonicContact OD1-CZ 3.87Å; D404-R677 IonicContact OD1-NE 2.63Å; D404-R677 IonicContact OD1-NH2 2.72Å; D404-R677 PolarHBondContact OD1-NH2 2.9Å; D404-R677 WeakPolarHBondContact OD2-CG 3.26Å; D404-R677 IonicContact OD2-CZ 2.85Å; D404-R677 IonicContact OD2-NE 3.82Å; D404-R677 PolarHBondContact OD2-NE 2.79Å; D404-R677 IonicContact OD2-NH2 2.91Å; D404-R677 PolarHBondContact OD2-NH2 3.43Å; D404-R711 PolarHBondContact N-O 3.01Å; D404-F712 WeakPolarHBondContact OD2-CD1 3.13Å |
| 405 | V | 94.5 | Very high | 93.4 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.024 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 171.1 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | P363 E402 E407 R408 Y409 V673 | P363-V405 HydrophobicContact CB-CB 4.07Å; P363-V405 HydrophobicContact CB-CG1 3.9Å; P363-V405 HydrophobicContact CG-CB 4.26Å; P363-V405 HydrophobicContact CG-CG1 4.21Å; E402-V405 HydrophobicContact CB-CB 4.16Å; E402-V405 HydrophobicContact CB-CG2 3.86Å; E402-V405 PolarHBondContact O-N 3.17Å; V405-E407 PolarHBondContact O-N 2.62Å; V405-R408 WeakPolarHBondContact O-CB 3.41Å; V405-R408 PolarHBondContact O-N 2.65Å; V405-Y409 HydrophobicContact CG1-CD2 3.95Å; V405-Y409 HydrophobicContact CG1-CE2 3.65Å; V405-Y409 VanDerWaalsContact O-CD2 3.25Å; V405-Y409 WeakPolarHBondContact O-CD2 3.24Å; V405-Y409 PolarHBondContact O-N 2.81Å; V405-V673 HydrophobicContact CG2-CG1 3.87Å |
| 406 | F | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.9 | -47.8 | 172.9 | 171 | -87.5 | 0 | 0 | 0 | 111.5 | P363 L366 I370 F397 M400 E402 K403 D404 R408 Y409 Y410 L436 | P363-F406 HydrophobicContact CB-CB 3.99Å; P363-F406 WeakPolarHBondContact O-CD2 3.42Å; L366-F406 HydrophobicContact CB-CD2 4.25Å; L366-F406 HydrophobicContact CB-CE2 4.22Å; L366-F406 HydrophobicContact CD2-CD2 4.23Å; L366-F406 HydrophobicContact CD2-CE2 4.12Å; L366-F406 HydrophobicContact CG-CD2 4.27Å; L366-F406 HydrophobicContact CG-CE2 3.9Å; I370-F406 HydrophobicContact CD1-CE2 3.92Å; I370-F406 HydrophobicContact CD1-CZ 3.82Å; F397-F406 AromaticContact CD2-CD1 3.95Å; F397-F406 HydrophobicContact CD2-CD1 3.95Å; F397-F406 HydrophobicContact CD2-CD2 4.41Å; F397-F406 HydrophobicContact CD2-CE1 4.13Å; F397-F406 HydrophobicContact CD2-CG 4.1Å; F397-F406 HydrophobicContact CD2-CZ 4.44Å; F397-F406 HydrophobicContact CE2-CB 4.31Å; F397-F406 AromaticContact CE2-CD1 3.43Å; F397-F406 HydrophobicContact CE2-CD1 3.43Å; F397-F406 VanDerWaalsContact CE2-CD1 3.43Å; F397-F406 AromaticContact CE2-CE1 3.86Å; F397-F406 HydrophobicContact CE2-CE1 3.86Å; F397-F406 AromaticContact CE2-CG 3.87Å; F397-F406 HydrophobicContact CE2-CG 3.87Å; F397-F406 HydrophobicContact CZ-CD1 4.42Å; M400-F406 HydrophobicContact SD-CB 3.99Å; E402-F406 PolarHBondContact O-N 3.39Å; K403-F406 WeakPolarHBondContact O-CB 3.4Å; K403-F406 PolarHBondContact O-N 3.25Å; D404-F406 VanDerWaalsContact C-N 3.35Å; F406-R408 PolarHBondContact O-N 2.98Å; F406-Y409 PolarHBondContact O-N 2.93Å; F406-Y410 HydrophobicContact CE1-CD2 4.15Å; F406-Y410 HydrophobicContact CE1-CG 4.03Å; F406-Y410 AromaticContact CZ-CD2 3.75Å; F406-Y410 HydrophobicContact CZ-CD2 3.75Å; F406-Y410 HydrophobicContact CZ-CG 4.09Å; F406-Y410 VanDerWaalsContact O-CB 3.29Å; F406-Y410 WeakPolarHBondContact O-CB 3.3Å; F406-Y410 PolarHBondContact O-N 2.97Å; F406-L436 HydrophobicContact CE1-CD1 4.34Å; F406-L436 HydrophobicContact CE1-CD2 3.77Å; F406-L436 HydrophobicContact CZ-CD2 4.43Å |
| 407 | E | 94.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 25 Ų | 25 | 7% | 0.065 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -52 | -45 | 178.7 | -164.9 | -159.9 | 138.3 | 0 | 0 | 111 | K403 D404 V405 Y410 K411 F444 R711 | K403-E407 PolarHBondContact O-N 2.89Å; D404-E407 WeakPolarHBondContact O-CB 3.43Å; D404-E407 PolarHBondContact O-N 3.01Å; V405-E407 PolarHBondContact O-N 2.62Å; E407-Y410 PolarHBondContact O-N 3.09Å; E407-K411 WeakPolarHBondContact O-CB 3.49Å; E407-K411 PolarHBondContact O-N 3.47Å; E407-F444 HydrophobicContact CB-CE1 4.26Å; E407-F444 HydrophobicContact CB-CE2 3.69Å; E407-F444 HydrophobicContact CB-CZ 3.49Å; E407-F444 VanDerWaalsContact CB-CZ 3.49Å; E407-F444 HydrophobicContact CG-CD1 4.46Å; E407-F444 HydrophobicContact CG-CD2 4.3Å; E407-F444 HydrophobicContact CG-CE1 3.99Å; E407-F444 HydrophobicContact CG-CE2 3.83Å; E407-F444 HydrophobicContact CG-CZ 3.66Å; E407-F444 WeakPolarHBondContact OE2-CD2 3.44Å; E407-F444 WeakPolarHBondContact OE2-CE2 3.45Å; E407-R711 IonicContact OE2-CZ 2.83Å; E407-R711 IonicContact OE2-NH2 3.27Å; E407-R711 PolarHBondContact OE2-NH2 3.23Å |
| 408 | R | 92 | Very high | 92.2 | Very high | 40 Ų | 40 | 25.8 Ų | 25.8 | 15% | 0.151 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.2 | -50.5 | -178.9 | -172.5 | 70.1 | -173.5 | -169.5 | 6 | 111.9 | D404 V405 F406 K411 Q412 T669 V673 | D404-R408 PolarHBondContact O-N 3.5Å; D404-R408 VanDerWaalsContact O-N 3.09Å; V405-R408 WeakPolarHBondContact O-CB 3.41Å; V405-R408 PolarHBondContact O-N 2.65Å; F406-R408 PolarHBondContact O-N 2.98Å; R408-K411 PolarHBondContact O-N 3.1Å; R408-Q412 WeakPolarHBondContact O-CG 3.32Å; R408-Q412 PolarHBondContact O-N 3.13Å; R408-T669 HydrophobicContact CG-CG2 3.79Å; R408-V673 HydrophobicContact CB-CG2 4.04Å; R408-V673 HydrophobicContact CG-CG2 4.09Å |
| 409 | Y | 92.8 | Very high | 91.7 | Very high | 14 Ų | 14 | 21.8 Ų | 21.8 | 6% | 0.055 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.8 | -46.2 | 177.2 | -74.6 | -63.5 | 0 | 0 | 0 | 111.6 | E364 V405 F406 K411 Q412 H413 E661 T669 | E364-Y409 HydrophobicContact CB-CD1 4.47Å; E364-Y409 HydrophobicContact CB-CD2 3.81Å; E364-Y409 HydrophobicContact CB-CE1 4.38Å; E364-Y409 HydrophobicContact CB-CE2 3.71Å; E364-Y409 HydrophobicContact CB-CG 4.21Å; E364-Y409 HydrophobicContact CG-CD1 4.02Å; E364-Y409 HydrophobicContact CG-CD2 4.26Å; E364-Y409 HydrophobicContact CG-CE1 3.93Å; E364-Y409 HydrophobicContact CG-CE2 4.18Å; E364-Y409 HydrophobicContact CG-CG 4.19Å; V405-Y409 HydrophobicContact CG1-CD2 3.95Å; V405-Y409 HydrophobicContact CG1-CE2 3.65Å; V405-Y409 VanDerWaalsContact O-CD2 3.25Å; V405-Y409 WeakPolarHBondContact O-CD2 3.24Å; V405-Y409 PolarHBondContact O-N 2.81Å; F406-Y409 PolarHBondContact O-N 2.93Å; Y409-K411 VanDerWaalsContact C-N 3.29Å; Y409-K411 PolarHBondContact O-N 3.09Å; Y409-Q412 WeakPolarHBondContact O-CB 3.45Å; Y409-Q412 PolarHBondContact O-N 2.85Å; Y409-Q412 VanDerWaalsContact O-N 3.16Å; Y409-H413 PolarHBondContact O-CD2 2.84Å; Y409-H413 PolarHBondContact O-N 3.23Å; Y409-E661 HydrophobicContact CE1-CG 4.4Å; Y409-E661 WeakPolarHBondContact CE1-OE2 3.15Å; Y409-T669 HydrophobicContact CE1-CG2 4.02Å; Y409-T669 HydrophobicContact CE2-CG2 4.44Å |
| 410 | Y | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 178.8 | -174.2 | -92.6 | 0 | 0 | 0 | 111.7 | S367 I370 F406 E407 Q412 H413 L414 M432 L436 L448 | S367-Y410 WeakPolarHBondContact OG-CA 3.26Å; S367-Y410 PolarHBondContact OG-N 2.74Å; I370-Y410 HydrophobicContact CG2-CE2 3.81Å; F406-Y410 HydrophobicContact CE1-CD2 4.15Å; F406-Y410 HydrophobicContact CE1-CG 4.03Å; F406-Y410 AromaticContact CZ-CD2 3.75Å; F406-Y410 HydrophobicContact CZ-CD2 3.75Å; F406-Y410 HydrophobicContact CZ-CG 4.09Å; F406-Y410 VanDerWaalsContact O-CB 3.29Å; F406-Y410 WeakPolarHBondContact O-CB 3.3Å; F406-Y410 PolarHBondContact O-N 2.97Å; E407-Y410 PolarHBondContact O-N 3.09Å; Y410-Q412 PolarHBondContact O-N 3.34Å; Y410-H413 PolarHBondContact O-N 3.45Å; Y410-L414 HydrophobicContact CE1-CB 4.43Å; Y410-L414 HydrophobicContact CE1-CD2 4.34Å; Y410-L414 WeakPolarHBondContact O-CB 3.39Å; Y410-L414 PolarHBondContact O-N 2.81Å; Y410-M432 HydrophobicContact CE2-CG 4.21Å; Y410-M432 VanDerWaalsContact OH-CG 3.27Å; Y410-M432 WeakPolarHBondContact OH-CG 3.41Å; Y410-L436 HydrophobicContact CD1-CD1 4.14Å; Y410-L436 HydrophobicContact CE1-CD1 3.91Å; Y410-L448 HydrophobicContact CD1-CD1 3.92Å; Y410-L448 HydrophobicContact CD1-CD2 4.25Å; Y410-L448 HydrophobicContact CE1-CD1 3.99Å |
| 411 | K | 92.8 | Very high | 90.3 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 175.8 | -173.6 | 173.2 | 69.9 | -176.2 | 0 | 112.8 | E407 R408 Y409 H413 A415 L448 M451 | E407-K411 WeakPolarHBondContact O-CB 3.49Å; E407-K411 PolarHBondContact O-N 3.47Å; R408-K411 PolarHBondContact O-N 3.1Å; Y409-K411 VanDerWaalsContact C-N 3.29Å; Y409-K411 PolarHBondContact O-N 3.09Å; K411-H413 VanDerWaalsContact C-N 3.34Å; K411-A415 VanDerWaalsContact O-CB 3.31Å; K411-A415 WeakPolarHBondContact O-CB 3.46Å; K411-A415 PolarHBondContact O-N 3.05Å; K411-L448 HydrophobicContact CB-CD2 3.85Å; K411-L448 HydrophobicContact CD-CD2 4.49Å; K411-L448 HydrophobicContact CG-CD2 3.92Å; K411-M451 HydrophobicContact CG-SD 3.84Å |
| 412 | Q | 89.3 | Confident | 89.7 | Confident | 29 Ų | 29 | 30.2 Ų | 30.2 | 14% | 0.136 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 173.5 | -71.5 | 172.4 | -17.4 | 0 | 0 | 111.7 | R408 Y409 Y410 A415 R416 P492 E661 | R408-Q412 WeakPolarHBondContact O-CG 3.32Å; R408-Q412 PolarHBondContact O-N 3.13Å; Y409-Q412 WeakPolarHBondContact O-CB 3.45Å; Y409-Q412 PolarHBondContact O-N 2.85Å; Y409-Q412 VanDerWaalsContact O-N 3.16Å; Y410-Q412 PolarHBondContact O-N 3.34Å; Q412-A415 PolarHBondContact O-N 2.97Å; Q412-R416 WeakPolarHBondContact O-CG 3.44Å; Q412-R416 PolarHBondContact O-N 2.8Å; Q412-R416 VanDerWaalsContact O-N 3.12Å; Q412-P492 HydrophobicContact CG-CB 3.99Å; Q412-P492 HydrophobicContact CG-CG 4.42Å; Q412-E661 PolarHBondContact NE2-OE1 2.89Å; Q412-E661 PolarHBondContact OE1-OE1 2.79Å; Q412-E661 VanDerWaalsContact OE1-OE1 3.05Å |
| 413 | H | 90.5 | Very high | 89.1 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.1 | -47.4 | -178.1 | -63.7 | 176.5 | 0 | 0 | 0 | 111.2 | S367 L368 D371 Y409 Y410 K411 A415 R416 R417 | S367-H413 PolarHBondContact O-ND1 2.97Å; S367-H413 PolarHBondContact OG-CE1 2.87Å; S367-H413 PolarHBondContact OG-ND1 2.92Å; L368-H413 WeakPolarHBondContact CD2-CE1 3.33Å; D371-H413 HydrophobicContact CB-CB 4Å; Y409-H413 PolarHBondContact O-CD2 2.84Å; Y409-H413 PolarHBondContact O-N 3.23Å; Y410-H413 PolarHBondContact O-N 3.45Å; K411-H413 VanDerWaalsContact C-N 3.34Å; H413-A415 VanDerWaalsContact C-N 3.34Å; H413-A415 PolarHBondContact O-N 3.32Å; H413-R416 PolarHBondContact CD2-NH2 2.73Å; H413-R416 PolarHBondContact NE2-NH2 3.36Å; H413-R416 VanDerWaalsContact NE2-NH2 3.17Å; H413-R416 PolarHBondContact O-N 2.9Å; H413-R417 WeakPolarHBondContact O-CG 3.33Å; H413-R417 PolarHBondContact O-N 3.03Å |
| 414 | L | 92.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57 | -46.3 | 174.2 | 179.5 | 64.1 | 0 | 0 | 0 | 111.3 | Y410 R416 R417 L418 E429 I433 L448 M451 F452 | Y410-L414 HydrophobicContact CE1-CB 4.43Å; Y410-L414 HydrophobicContact CE1-CD2 4.34Å; Y410-L414 WeakPolarHBondContact O-CB 3.39Å; Y410-L414 PolarHBondContact O-N 2.81Å; L414-R416 VanDerWaalsContact C-N 3.31Å; L414-R416 PolarHBondContact O-N 3.36Å; L414-R417 PolarHBondContact O-N 2.87Å; L414-R417 VanDerWaalsContact O-N 3.11Å; L414-L418 HydrophobicContact CD1-CD1 4.07Å; L414-L418 HydrophobicContact CD1-CD2 4.41Å; L414-L418 HydrophobicContact CD1-CG 3.98Å; L414-L418 HydrophobicContact CD2-CD1 4.48Å; L414-L418 HydrophobicContact CG-CD1 3.94Å; L414-L418 HydrophobicContact CG-CG 4.23Å; L414-L418 WeakPolarHBondContact O-CG 3.22Å; L414-L418 PolarHBondContact O-N 2.95Å; L414-E429 WeakPolarHBondContact CD1-OE2 3.47Å; L414-I433 HydrophobicContact CD2-CD1 4.22Å; L414-L448 HydrophobicContact CD2-CB 4.17Å; L414-L448 HydrophobicContact CD2-CD2 3.92Å; L414-M451 HydrophobicContact CB-CE 4.27Å; L414-M451 HydrophobicContact CD2-CE 4.04Å; L414-M451 HydrophobicContact CD2-SD 4.38Å; L414-M451 HydrophobicContact CG-CE 3.97Å; L414-F452 HydrophobicContact CD1-CE2 3.96Å; L414-F452 HydrophobicContact CD1-CZ 4.25Å; L414-F452 HydrophobicContact CD2-CE2 4.19Å |
| 415 | A | 89.7 | Confident | 87.9 | Confident | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.033 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.2 | -45 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K411 Q412 H413 L419 M451 W491 P492 | K411-A415 VanDerWaalsContact O-CB 3.31Å; K411-A415 WeakPolarHBondContact O-CB 3.46Å; K411-A415 PolarHBondContact O-N 3.05Å; Q412-A415 PolarHBondContact O-N 2.97Å; H413-A415 VanDerWaalsContact C-N 3.34Å; H413-A415 PolarHBondContact O-N 3.32Å; A415-L419 WeakPolarHBondContact O-CB 3.44Å; A415-L419 WeakPolarHBondContact O-CD1 3.36Å; A415-L419 WeakPolarHBondContact O-CG 3.44Å; A415-L419 PolarHBondContact O-N 3.33Å; A415-M451 VanDerWaalsContact CA-CE 3.5Å; A415-M451 HydrophobicContact CB-CE 3.62Å; A415-W491 HydrophobicContact CB-CE3 3.82Å; A415-W491 HydrophobicContact CB-CZ3 3.95Å; A415-P492 HydrophobicContact CB-CG 3.5Å; A415-P492 VanDerWaalsContact CB-CG 3.5Å |
| 416 | R | 85.5 | Confident | 87.5 | Confident | 120 Ų | 120 | 35 Ų | 35 | 45% | 0.453 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 176 | -69 | -173.7 | -57.2 | -142.8 | 9.2 | 111.7 | Q412 H413 L414 T420 | Q412-R416 WeakPolarHBondContact O-CG 3.44Å; Q412-R416 PolarHBondContact O-N 2.8Å; Q412-R416 VanDerWaalsContact O-N 3.12Å; H413-R416 PolarHBondContact CD2-NH2 2.73Å; H413-R416 PolarHBondContact NE2-NH2 3.36Å; H413-R416 VanDerWaalsContact NE2-NH2 3.17Å; H413-R416 PolarHBondContact O-N 2.9Å; L414-R416 VanDerWaalsContact C-N 3.31Å; L414-R416 PolarHBondContact O-N 3.36Å; R416-T420 WeakPolarHBondContact O-CB 3.3Å; R416-T420 WeakPolarHBondContact O-CG2 3.49Å; R416-T420 PolarHBondContact O-N 2.96Å; R416-T420 PolarHBondContact O-OG1 2.79Å |
| 417 | R | 88.3 | Confident | 87.1 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -45.5 | -179.7 | -67.5 | -166.5 | -56.1 | -86.7 | 4.3 | 112 | D371 K375 H413 L414 N421 K422 S423 E429 | D371-R417 VanDerWaalsContact OD1-CD 3.27Å; D371-R417 WeakPolarHBondContact OD1-CD 3.43Å; D371-R417 WeakPolarHBondContact OD1-CG 3.36Å; D371-R417 IonicContact OD1-CZ 2.81Å; D371-R417 IonicContact OD1-NE 3.21Å; D371-R417 IonicContact OD1-NH1 2.79Å; D371-R417 PolarHBondContact OD1-NH1 3.32Å; K375-R417 HydrophobicContact CG-CG 4.46Å; H413-R417 WeakPolarHBondContact O-CG 3.33Å; H413-R417 PolarHBondContact O-N 3.03Å; L414-R417 PolarHBondContact O-N 2.87Å; L414-R417 VanDerWaalsContact O-N 3.11Å; R417-N421 PolarHBondContact O-N 3.36Å; R417-K422 PolarHBondContact O-N 2.97Å; R417-S423 WeakPolarHBondContact CB-OG 3.44Å; R417-E429 IonicContact CZ-OE1 2.93Å; R417-E429 IonicContact CZ-OE2 3.55Å; R417-E429 IonicContact NE-OE1 3.76Å; R417-E429 PolarHBondContact NE-OE1 2.76Å; R417-E429 IonicContact NE-OE2 3.84Å; R417-E429 IonicContact NH2-OE1 2.81Å; R417-E429 PolarHBondContact NH2-OE1 3.39Å; R417-E429 IonicContact NH2-OE2 2.82Å; R417-E429 PolarHBondContact NH2-OE2 3.07Å |
| 418 | L | 88 | Confident | 86.9 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -48.6 | 177.7 | -68.2 | 178.8 | 0 | 0 | 0 | 112 | L414 T420 N421 M451 F452 M455 W491 | L414-L418 HydrophobicContact CD1-CD1 4.07Å; L414-L418 HydrophobicContact CD1-CD2 4.41Å; L414-L418 HydrophobicContact CD1-CG 3.98Å; L414-L418 HydrophobicContact CD2-CD1 4.48Å; L414-L418 HydrophobicContact CG-CD1 3.94Å; L414-L418 HydrophobicContact CG-CG 4.23Å; L414-L418 WeakPolarHBondContact O-CG 3.22Å; L414-L418 PolarHBondContact O-N 2.95Å; L418-T420 VanDerWaalsContact C-N 3.34Å; L418-T420 PolarHBondContact O-N 3.47Å; L418-N421 PolarHBondContact O-N 2.93Å; L418-M451 HydrophobicContact CD1-CB 4.12Å; L418-M451 HydrophobicContact CD1-CE 4.19Å; L418-F452 HydrophobicContact CD1-CD2 4.5Å; L418-F452 HydrophobicContact CD1-CE2 4.33Å; L418-F452 HydrophobicContact CD1-CZ 4.48Å; L418-F452 HydrophobicContact CD2-CD1 4.39Å; L418-F452 HydrophobicContact CD2-CE1 3.74Å; L418-F452 HydrophobicContact CD2-CE2 4.36Å; L418-F452 HydrophobicContact CD2-CZ 3.71Å; L418-M455 HydrophobicContact CB-CG 4.31Å; L418-M455 HydrophobicContact CB-SD 4.3Å; L418-M455 HydrophobicContact CD1-CG 4.28Å; L418-W491 HydrophobicContact CB-CH2 4.17Å; L418-W491 HydrophobicContact CB-CZ3 4.48Å; L418-W491 HydrophobicContact CD1-CH2 3.94Å |
| 419 | L | 84.2 | Confident | 86.8 | Confident | 32 Ų | 32 | 38.6 Ų | 38.6 | 17% | 0.168 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.4 | -29.2 | -176.8 | -65.4 | 169.7 | 0 | 0 | 0 | 113 | A415 M455 R484 L486 W491 M532 | A415-L419 WeakPolarHBondContact O-CB 3.44Å; A415-L419 WeakPolarHBondContact O-CD1 3.36Å; A415-L419 WeakPolarHBondContact O-CG 3.44Å; A415-L419 PolarHBondContact O-N 3.33Å; L419-M455 HydrophobicContact CD2-CE 4.18Å; L419-M455 HydrophobicContact CD2-SD 4.45Å; L419-R484 PolarHBondContact O-NH1 3.26Å; L419-L486 HydrophobicContact CD2-CD1 4.1Å; L419-L486 HydrophobicContact CD2-CD2 4.39Å; L419-W491 HydrophobicContact CD1-CE3 4.27Å; L419-W491 HydrophobicContact CD1-CZ3 3.96Å; L419-W491 HydrophobicContact CD2-CH2 4.28Å; L419-W491 HydrophobicContact CD2-CZ3 4.01Å; L419-W491 HydrophobicContact CG-CH2 4.39Å; L419-W491 HydrophobicContact CG-CZ3 3.77Å; L419-M532 HydrophobicContact CD1-CE 3.14Å |
| 420 | T | 79.2 | Confident | 86.8 | Confident | 78 Ų | 78 | 43.2 Ų | 43.2 | 48% | 0.479 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -92.3 | 1.7 | 176.6 | 62.4 | 0 | 0 | 0 | 0 | 113.5 | R416 L418 K422 | R416-T420 WeakPolarHBondContact O-CB 3.3Å; R416-T420 WeakPolarHBondContact O-CG2 3.49Å; R416-T420 PolarHBondContact O-N 2.96Å; R416-T420 PolarHBondContact O-OG1 2.79Å; L418-T420 VanDerWaalsContact C-N 3.34Å; L418-T420 PolarHBondContact O-N 3.47Å; T420-K422 PolarHBondContact O-N 2.9Å; T420-K422 WeakPolarHBondContact OG1-CD 3.43Å; T420-K422 WeakPolarHBondContact OG1-CG 3.49Å |
| 421 | N | 78.8 | Confident | 86.7 | Confident | 95 Ų | 95 | 45.8 Ų | 45.8 | 51% | 0.508 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 41.9 | -174.9 | -165.6 | 2.3 | 0 | 0 | 0 | 113 | K376 R417 L418 | K376-N421 PolarHBondContact NZ-O 3.1Å; K376-N421 PolarHBondContact NZ-OD1 3.46Å; K376-N421 VanDerWaalsContact NZ-OD1 3.11Å; R417-N421 PolarHBondContact O-N 3.36Å; L418-N421 PolarHBondContact O-N 2.93Å |
| 422 | K | 79.5 | Confident | 86.8 | Confident | 100 Ų | 100 | 45.3 Ų | 45.3 | 44% | 0.435 | 23% | 0.231 | S | C | . | . | trans | -103.8 | 4.4 | -176.3 | -74.3 | -172 | -176.2 | 179.7 | 0 | 113.9 | K375 K376 R417 T420 | K375-K422 CarbonylContact C-O 3.59Å; K375-K422 WeakPolarHBondContact CA-O 3.39Å; K376-K422 PolarHBondContact N-O 3.28Å; R417-K422 PolarHBondContact O-N 2.97Å; T420-K422 PolarHBondContact O-N 2.9Å; T420-K422 WeakPolarHBondContact OG1-CD 3.43Å; T420-K422 WeakPolarHBondContact OG1-CG 3.49Å | ||
| 423 | S | 81 | Confident | 87 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -69.3 | 136.2 | 174.6 | -63 | 0 | 0 | 0 | 0 | 111.1 | L374 K376 R417 E429 | L374-S423 WeakPolarHBondContact O-CA 3.47Å; K376-S423 WeakPolarHBondContact CD-O 3.33Å; K376-S423 WeakPolarHBondContact CE-O 3.5Å; K376-S423 WeakPolarHBondContact CG-O 3.47Å; R417-S423 WeakPolarHBondContact CB-OG 3.44Å; S423-E429 VanDerWaalsContact CB-OE1 3.3Å; S423-E429 WeakPolarHBondContact CB-OE1 3.28Å; S423-E429 PolarHBondContact OG-OE1 3.31Å |
| 424 | V | 78.3 | Confident | 87.3 | Confident | 63 Ų | 63 | 47.2 Ų | 47.2 | 38% | 0.382 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -57.5 | -51.6 | 177.8 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L374 K375 | L374-V424 WeakPolarHBondContact O-CG2 3.42Å; L374-V424 PolarHBondContact O-N 2.98Å; K375-V424 WeakPolarHBondContact O-CG2 3.25Å |
| 425 | S | 84.1 | Confident | 87.4 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 15% | 0.154 | 26% | 0.255 | C | S | . | . | trans | -150 | 136.8 | -178 | 172 | 0 | 0 | 0 | 0 | 109.6 | D427 S428 E429 | S425-D427 PolarHBondContact O-N 3.37Å; S425-D427 PolarHBondContact OG-N 3.22Å; S425-S428 PolarHBondContact O-N 3.42Å; S425-E429 WeakPolarHBondContact O-CG 3.42Å; S425-E429 PolarHBondContact O-N 3.48Å | ||
| 426 | D | 85.8 | Confident | 87.7 | Confident | 88 Ų | 88 | 48.7 Ų | 48.7 | 47% | 0.471 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.6 | -30.7 | 175 | -76.8 | 3.4 | 0 | 0 | 0 | 111.2 | E429 K430 | D426-E429 PolarHBondContact O-N 3.49Å; D426-K430 WeakPolarHBondContact O-CG 3.21Å; D426-K430 PolarHBondContact O-N 3.47Å |
| 427 | D | 88.8 | Confident | 88.1 | Confident | 111 Ų | 111 | 46.2 Ų | 46.2 | 59% | 0.594 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -73.1 | -39.3 | 179.8 | -67 | -28.7 | 0 | 0 | 0 | 111.5 | S425 E429 K430 N431 | S425-D427 PolarHBondContact O-N 3.37Å; S425-D427 PolarHBondContact OG-N 3.22Å; D427-E429 VanDerWaalsContact C-N 3.32Å; D427-E429 PolarHBondContact O-N 2.93Å; D427-K430 PolarHBondContact O-N 2.89Å; D427-N431 VanDerWaalsContact O-CB 3.31Å; D427-N431 WeakPolarHBondContact O-CB 3.41Å; D427-N431 PolarHBondContact O-N 3.25Å |
| 428 | S | 89.2 | Confident | 88.3 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 173 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | S425 N431 M432 | S425-S428 PolarHBondContact O-N 3.42Å; S428-N431 PolarHBondContact O-N 2.82Å; S428-M432 PolarHBondContact O-N 3.38Å |
| 429 | E | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.4 | -44.3 | 176.5 | -63.9 | -89 | -159.7 | 0 | 0 | 111.6 | L414 R417 S423 S425 D426 D427 N431 M432 I433 F452 | L414-E429 WeakPolarHBondContact CD1-OE2 3.47Å; R417-E429 IonicContact CZ-OE1 2.93Å; R417-E429 IonicContact CZ-OE2 3.55Å; R417-E429 IonicContact NE-OE1 3.76Å; R417-E429 PolarHBondContact NE-OE1 2.76Å; R417-E429 IonicContact NE-OE2 3.84Å; R417-E429 IonicContact NH2-OE1 2.81Å; R417-E429 PolarHBondContact NH2-OE1 3.39Å; R417-E429 IonicContact NH2-OE2 2.82Å; R417-E429 PolarHBondContact NH2-OE2 3.07Å; S423-E429 VanDerWaalsContact CB-OE1 3.3Å; S423-E429 WeakPolarHBondContact CB-OE1 3.28Å; S423-E429 PolarHBondContact OG-OE1 3.31Å; S425-E429 WeakPolarHBondContact O-CG 3.42Å; S425-E429 PolarHBondContact O-N 3.48Å; D426-E429 PolarHBondContact O-N 3.49Å; D427-E429 VanDerWaalsContact C-N 3.32Å; D427-E429 PolarHBondContact O-N 2.93Å; E429-N431 VanDerWaalsContact C-N 3.34Å; E429-N431 PolarHBondContact O-N 3.33Å; E429-M432 PolarHBondContact O-N 3.05Å; E429-I433 WeakPolarHBondContact O-CG1 3.46Å; E429-I433 PolarHBondContact O-N 2.93Å; E429-F452 HydrophobicContact CB-CE1 4.38Å; E429-F452 HydrophobicContact CB-CE2 4.21Å; E429-F452 HydrophobicContact CB-CZ 3.5Å; E429-F452 VanDerWaalsContact CB-CZ 3.5Å; E429-F452 HydrophobicContact CG-CZ 4.26Å |
| 430 | K | 92.1 | Very high | 88.6 | Confident | 111 Ų | 111 | 53.8 Ų | 53.8 | 48% | 0.483 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 174.9 | -73.3 | 172.2 | -170.8 | 163.8 | 0 | 112 | D426 D427 I433 S434 | D426-K430 WeakPolarHBondContact O-CG 3.21Å; D426-K430 PolarHBondContact O-N 3.47Å; D427-K430 PolarHBondContact O-N 2.89Å; K430-I433 PolarHBondContact O-N 2.88Å; K430-S434 PolarHBondContact O-N 2.82Å |
| 431 | N | 92.6 | Very high | 89.1 | Confident | 55 Ų | 55 | 51.6 Ų | 51.6 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | 175.4 | -175.2 | -33.4 | 0 | 0 | 0 | 110.1 | E387 D427 S428 E429 I433 S434 K435 | E387-N431 PolarHBondContact OE1-ND2 2.94Å; D427-N431 VanDerWaalsContact O-CB 3.31Å; D427-N431 WeakPolarHBondContact O-CB 3.41Å; D427-N431 PolarHBondContact O-N 3.25Å; S428-N431 PolarHBondContact O-N 2.82Å; E429-N431 VanDerWaalsContact C-N 3.34Å; E429-N431 PolarHBondContact O-N 3.33Å; N431-I433 VanDerWaalsContact C-N 3.32Å; N431-I433 PolarHBondContact O-N 3.04Å; N431-S434 WeakPolarHBondContact O-CA 3.23Å; N431-S434 VanDerWaalsContact O-CB 3.25Å; N431-S434 WeakPolarHBondContact O-CB 3.43Å; N431-S434 PolarHBondContact O-N 2.98Å; N431-K435 WeakPolarHBondContact O-CG 3.42Å; N431-K435 PolarHBondContact O-N 3.21Å; N431-K435 WeakPolarHBondContact OD1-CE 3.47Å; N431-K435 PolarHBondContact OD1-NZ 3.12Å |
| 432 | M | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.6 | -43.1 | 175.7 | -173.3 | 63.1 | -155.6 | 0 | 0 | 112.6 | I370 L374 L390 M394 Y410 S428 E429 S434 K435 L436 | I370-M432 HydrophobicContact CD1-CE 3.72Å; I370-M432 HydrophobicContact CG2-CE 4.42Å; I370-M432 HydrophobicContact CG2-CG 4.36Å; I370-M432 HydrophobicContact CG2-SD 4.35Å; L374-M432 HydrophobicContact CD1-CG 4.47Å; L390-M432 HydrophobicContact CB-SD 4.25Å; L390-M432 HydrophobicContact CD1-CB 4.45Å; L390-M432 HydrophobicContact CD1-SD 4.26Å; L390-M432 HydrophobicContact CD2-SD 3.95Å; L390-M432 HydrophobicContact CG-SD 4.37Å; M394-M432 HydrophobicContact CG-CE 4.25Å; M394-M432 HydrophobicContact SD-CE 3.36Å; M394-M432 WeakPolarHBondContact SD-CE 3.44Å; M394-M432 HydrophobicContact SD-SD 4.4Å; Y410-M432 HydrophobicContact CE2-CG 4.21Å; Y410-M432 VanDerWaalsContact OH-CG 3.27Å; Y410-M432 WeakPolarHBondContact OH-CG 3.41Å; S428-M432 PolarHBondContact O-N 3.38Å; E429-M432 PolarHBondContact O-N 3.05Å; M432-S434 VanDerWaalsContact C-N 3.33Å; M432-S434 PolarHBondContact O-N 3.01Å; M432-K435 PolarHBondContact O-N 3.35Å; M432-L436 HydrophobicContact CE-CD1 4.34Å; M432-L436 HydrophobicContact CE-CD2 4.07Å; M432-L436 HydrophobicContact CE-CG 4.02Å; M432-L436 WeakPolarHBondContact O-CG 3.36Å; M432-L436 PolarHBondContact O-N 3.31Å |
| 433 | I | 94.4 | Very high | 90 | Very high | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.036 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 174.3 | -67.9 | 173.1 | 0 | 0 | 0 | 111.1 | L414 E429 K430 N431 K435 L436 K437 T445 L448 E449 F452 | L414-I433 HydrophobicContact CD2-CD1 4.22Å; E429-I433 WeakPolarHBondContact O-CG1 3.46Å; E429-I433 PolarHBondContact O-N 2.93Å; K430-I433 PolarHBondContact O-N 2.88Å; N431-I433 VanDerWaalsContact C-N 3.32Å; N431-I433 PolarHBondContact O-N 3.04Å; I433-K435 VanDerWaalsContact C-N 3.34Å; I433-K435 PolarHBondContact O-N 3.3Å; I433-L436 PolarHBondContact O-N 3.09Å; I433-K437 WeakPolarHBondContact O-CB 3.27Å; I433-K437 PolarHBondContact O-N 2.98Å; I433-T445 HydrophobicContact CG2-CG2 4.06Å; I433-L448 HydrophobicContact CD1-CB 3.95Å; I433-L448 HydrophobicContact CG1-CB 4.32Å; I433-E449 HydrophobicContact CG2-CG 3.87Å; I433-F452 HydrophobicContact CD1-CD2 3.65Å; I433-F452 HydrophobicContact CD1-CE2 3.45Å; I433-F452 VanDerWaalsContact CD1-CE2 3.45Å |
| 434 | S | 95.1 | Very high | 90.4 | Very high | 65 Ų | 65 | 53.8 Ų | 53.8 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 175.3 | -168.8 | 0 | 0 | 0 | 0 | 111.7 | K430 N431 M432 L436 K437 T438 | K430-S434 PolarHBondContact O-N 2.82Å; N431-S434 WeakPolarHBondContact O-CA 3.23Å; N431-S434 VanDerWaalsContact O-CB 3.25Å; N431-S434 WeakPolarHBondContact O-CB 3.43Å; N431-S434 PolarHBondContact O-N 2.98Å; M432-S434 VanDerWaalsContact C-N 3.33Å; M432-S434 PolarHBondContact O-N 3.01Å; S434-L436 PolarHBondContact O-N 3.32Å; S434-K437 WeakPolarHBondContact O-CB 3.33Å; S434-K437 PolarHBondContact O-N 3.4Å; S434-T438 PolarHBondContact O-N 3.19Å; S434-T438 PolarHBondContact O-OG1 2.76Å |
| 435 | K | 95.2 | Very high | 91.1 | Very high | 35 Ų | 35 | 50.8 Ų | 50.8 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 175.1 | -62 | -175.4 | -162.8 | -67.1 | 0 | 111.7 | E387 D391 M394 N431 M432 I433 K437 T438 E439 | E387-K435 IonicContact OE1-NZ 3.84Å; D391-K435 WeakPolarHBondContact OD1-CD 3.44Å; D391-K435 WeakPolarHBondContact OD1-CE 3.33Å; D391-K435 IonicContact OD1-NZ 3.13Å; D391-K435 PolarHBondContact OD1-NZ 3.36Å; D391-K435 IonicContact OD2-NZ 3.94Å; M394-K435 HydrophobicContact CE-CB 4.34Å; M394-K435 HydrophobicContact CG-CB 4.09Å; M394-K435 HydrophobicContact CG-CD 4.1Å; M394-K435 HydrophobicContact SD-CB 4.37Å; N431-K435 WeakPolarHBondContact O-CG 3.42Å; N431-K435 PolarHBondContact O-N 3.21Å; N431-K435 WeakPolarHBondContact OD1-CE 3.47Å; N431-K435 PolarHBondContact OD1-NZ 3.12Å; M432-K435 PolarHBondContact O-N 3.35Å; I433-K435 VanDerWaalsContact C-N 3.34Å; I433-K435 PolarHBondContact O-N 3.3Å; K435-K437 VanDerWaalsContact C-N 3.31Å; K435-K437 PolarHBondContact O-N 3.38Å; K435-T438 PolarHBondContact O-N 3.45Å; K435-E439 PolarHBondContact O-N 3.04Å |
| 436 | L | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 174.8 | -68 | 171.7 | 0 | 0 | 0 | 112.4 | M394 F397 F406 Y410 M432 I433 S434 E439 C440 F444 T445 L448 | M394-L436 HydrophobicContact CE-CD2 4.04Å; M394-L436 HydrophobicContact SD-CD2 4Å; F397-L436 HydrophobicContact CD1-CD2 4.48Å; F397-L436 HydrophobicContact CE1-CD2 4.1Å; F397-L436 HydrophobicContact CE2-CD2 4.18Å; F397-L436 HydrophobicContact CZ-CD2 3.92Å; F406-L436 HydrophobicContact CE1-CD1 4.34Å; F406-L436 HydrophobicContact CE1-CD2 3.77Å; F406-L436 HydrophobicContact CZ-CD2 4.43Å; Y410-L436 HydrophobicContact CD1-CD1 4.14Å; Y410-L436 HydrophobicContact CE1-CD1 3.91Å; M432-L436 HydrophobicContact CE-CD1 4.34Å; M432-L436 HydrophobicContact CE-CD2 4.07Å; M432-L436 HydrophobicContact CE-CG 4.02Å; M432-L436 WeakPolarHBondContact O-CG 3.36Å; M432-L436 PolarHBondContact O-N 3.31Å; I433-L436 PolarHBondContact O-N 3.09Å; S434-L436 PolarHBondContact O-N 3.32Å; L436-E439 PolarHBondContact O-N 3.2Å; L436-C440 PolarHBondContact O-N 2.85Å; L436-F444 HydrophobicContact CB-CD1 4.48Å; L436-F444 HydrophobicContact CB-CE1 4.4Å; L436-F444 HydrophobicContact CD2-CE1 4.37Å; L436-T445 HydrophobicContact CB-CG2 3.89Å; L436-L448 HydrophobicContact CD1-CD1 4.25Å |
| 437 | K | 94.4 | Very high | 91.9 | Very high | 68 Ų | 68 | 52.1 Ų | 52.1 | 30% | 0.296 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 177.9 | -171 | 178.1 | -166.4 | 153.5 | 0 | 112 | I433 S434 K435 E439 G441 C442 T445 E449 | I433-K437 WeakPolarHBondContact O-CB 3.27Å; I433-K437 PolarHBondContact O-N 2.98Å; S434-K437 WeakPolarHBondContact O-CB 3.33Å; S434-K437 PolarHBondContact O-N 3.4Å; K435-K437 VanDerWaalsContact C-N 3.31Å; K435-K437 PolarHBondContact O-N 3.38Å; K437-E439 VanDerWaalsContact C-N 3.32Å; K437-E439 PolarHBondContact O-N 2.78Å; K437-G441 CarbonylContact O-C 3.52Å; K437-G441 WeakPolarHBondContact O-CA 3.34Å; K437-G441 PolarHBondContact O-N 3.38Å; K437-C442 WeakPolarHBondContact CE-SG 3.45Å; K437-T445 HydrophobicContact CB-CG2 3.77Å; K437-T445 HydrophobicContact CG-CG2 4.49Å; K437-E449 WeakPolarHBondContact CD-OE1 3.25Å; K437-E449 IonicContact NZ-OE1 2.65Å; K437-E449 PolarHBondContact NZ-OE1 3.44Å; K437-E449 IonicContact NZ-OE2 2.62Å |
| 438 | T | 92.8 | Very high | 92.2 | Very high | 114 Ų | 114 | 46.9 Ų | 46.9 | 70% | 0.699 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.4 | -40.5 | 176.4 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | S434 K435 | S434-T438 PolarHBondContact O-N 3.19Å; S434-T438 PolarHBondContact O-OG1 2.76Å; K435-T438 PolarHBondContact O-N 3.45Å |
| 439 | E | 89.4 | Confident | 92.5 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -79.2 | -39.8 | -178.1 | -64.8 | -66.7 | 169.1 | 0 | 0 | 113.6 | M394 F397 R398 K435 L436 K437 | M394-E439 HydrophobicContact CE-CB 4.29Å; M394-E439 HydrophobicContact CE-CG 3.54Å; F397-E439 HydrophobicContact CD1-CB 4.43Å; F397-E439 HydrophobicContact CE1-CB 4.04Å; R398-E439 VanDerWaalsContact CD-OE1 3.23Å; R398-E439 WeakPolarHBondContact CD-OE1 3.45Å; R398-E439 VanDerWaalsContact CD-OE2 3.28Å; R398-E439 WeakPolarHBondContact CD-OE2 3.41Å; R398-E439 HydrophobicContact CG-CG 4.4Å; R398-E439 WeakPolarHBondContact CG-OE2 3.34Å; R398-E439 IonicContact CZ-OE1 3.64Å; R398-E439 IonicContact NE-OE1 3.21Å; R398-E439 PolarHBondContact NE-OE1 3.36Å; R398-E439 IonicContact NE-OE2 2.66Å; K435-E439 PolarHBondContact O-N 3.04Å; L436-E439 PolarHBondContact O-N 3.2Å; K437-E439 VanDerWaalsContact C-N 3.32Å; K437-E439 PolarHBondContact O-N 2.78Å |
| 440 | C | 89.7 | Confident | 92.6 | Very high | 20 Ų | 20 | 49 Ų | 49 | 14% | 0.135 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -115.2 | -6.4 | -170.8 | -62.9 | 0 | 0 | 0 | 0 | 114.7 | F397 L436 F444 | F397-C440 VanDerWaalsContact CE1-SG 3.56Å; F397-C440 VanDerWaalsContact CZ-SG 3.56Å; L436-C440 PolarHBondContact O-N 2.85Å; C440-F444 HydrophobicContact CB-CB 3.54Å; C440-F444 HydrophobicContact CB-CD1 3.73Å; C440-F444 HydrophobicContact CB-CD2 3.77Å; C440-F444 HydrophobicContact CB-CE1 4.33Å; C440-F444 HydrophobicContact CB-CE2 4.37Å; C440-F444 HydrophobicContact CB-CG 3.4Å; C440-F444 VanDerWaalsContact CB-CG 3.4Å |
| 441 | G | 89.7 | Confident | 92.8 | Very high | 32 Ų | 32 | 43.7 Ų | 43.7 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | trans | 83.6 | 170.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | K437 Q443 F444 | K437-G441 CarbonylContact O-C 3.52Å; K437-G441 WeakPolarHBondContact O-CA 3.34Å; K437-G441 PolarHBondContact O-N 3.38Å; G441-Q443 VanDerWaalsContact C-N 3.3Å; G441-Q443 PolarHBondContact O-N 3.34Å; G441-F444 WeakPolarHBondContact O-CB 3.49Å; G441-F444 PolarHBondContact O-N 3.26Å | ||
| 442 | C | 89.5 | Confident | 92.7 | Very high | 79 Ų | 79 | 42.1 Ų | 42.1 | 53% | 0.534 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.4 | -30.1 | -173.8 | -52.7 | 0 | 0 | 0 | 0 | 114.5 | K437 F444 T445 S446 | K437-C442 WeakPolarHBondContact CE-SG 3.45Å; C442-F444 VanDerWaalsContact C-N 3.3Å; C442-F444 PolarHBondContact O-N 3.29Å; C442-T445 PolarHBondContact O-N 3.49Å; C442-S446 WeakPolarHBondContact O-CB 3.47Å; C442-S446 PolarHBondContact O-N 2.88Å |
| 443 | Q | 87.3 | Confident | 92.7 | Very high | 162 Ų | 162 | 49.9 Ų | 49.9 | 76% | 0.757 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.4 | -34.6 | -179.1 | -69.2 | -177.5 | -0.3 | 0 | 0 | 111.7 | G441 | G441-Q443 VanDerWaalsContact C-N 3.3Å; G441-Q443 PolarHBondContact O-N 3.34Å |
| 444 | F | 89.1 | Confident | 92.7 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 177.6 | -171.8 | -92.8 | 0 | 0 | 0 | 111.7 | F397 K403 E407 L436 C440 G441 C442 | F397-F444 HydrophobicContact CZ-CE1 4.46Å; F397-F444 HydrophobicContact CZ-CZ 4.2Å; K403-F444 HydrophobicContact CB-CE2 4.39Å; E407-F444 HydrophobicContact CB-CE1 4.26Å; E407-F444 HydrophobicContact CB-CE2 3.69Å; E407-F444 HydrophobicContact CB-CZ 3.49Å; E407-F444 VanDerWaalsContact CB-CZ 3.49Å; E407-F444 HydrophobicContact CG-CD1 4.46Å; E407-F444 HydrophobicContact CG-CD2 4.3Å; E407-F444 HydrophobicContact CG-CE1 3.99Å; E407-F444 HydrophobicContact CG-CE2 3.83Å; E407-F444 HydrophobicContact CG-CZ 3.66Å; E407-F444 WeakPolarHBondContact OE2-CD2 3.44Å; E407-F444 WeakPolarHBondContact OE2-CE2 3.45Å; L436-F444 HydrophobicContact CB-CD1 4.48Å; L436-F444 HydrophobicContact CB-CE1 4.4Å; L436-F444 HydrophobicContact CD2-CE1 4.37Å; C440-F444 HydrophobicContact CB-CB 3.54Å; C440-F444 HydrophobicContact CB-CD1 3.73Å; C440-F444 HydrophobicContact CB-CD2 3.77Å; C440-F444 HydrophobicContact CB-CE1 4.33Å; C440-F444 HydrophobicContact CB-CE2 4.37Å; C440-F444 HydrophobicContact CB-CG 3.4Å; C440-F444 VanDerWaalsContact CB-CG 3.4Å; G441-F444 WeakPolarHBondContact O-CB 3.49Å; G441-F444 PolarHBondContact O-N 3.26Å; C442-F444 VanDerWaalsContact C-N 3.3Å; C442-F444 PolarHBondContact O-N 3.29Å |
| 445 | T | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -92.5 | -12 | -176.2 | 61 | 0 | 0 | 0 | 0 | 114.6 | I433 L436 K437 C442 K447 L448 E449 | I433-T445 HydrophobicContact CG2-CG2 4.06Å; L436-T445 HydrophobicContact CB-CG2 3.89Å; K437-T445 HydrophobicContact CB-CG2 3.77Å; K437-T445 HydrophobicContact CG-CG2 4.49Å; C442-T445 PolarHBondContact O-N 3.49Å; T445-K447 VanDerWaalsContact C-N 3.28Å; T445-K447 PolarHBondContact O-N 3.05Å; T445-K447 VanDerWaalsContact O-N 3.14Å; T445-L448 WeakPolarHBondContact O-CA 3.35Å; T445-L448 WeakPolarHBondContact O-CB 3.4Å; T445-L448 PolarHBondContact O-N 3.3Å; T445-E449 PolarHBondContact O-N 2.74Å; T445-E449 PolarHBondContact OG1-OE1 2.85Å |
| 446 | S | 92.9 | Very high | 92.4 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 39% | 0.392 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -51.7 | -42.6 | -173.3 | 175.8 | 0 | 0 | 0 | 0 | 113.7 | C442 G450 | C442-S446 WeakPolarHBondContact O-CB 3.47Å; C442-S446 PolarHBondContact O-N 2.88Å; S446-G450 PolarHBondContact O-N 2.89Å |
| 447 | K | 93.4 | Very high | 92.4 | Very high | 82 Ų | 82 | 54 Ų | 54 | 36% | 0.357 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68 | -39.5 | 177.7 | -65.2 | 178.2 | -177.7 | 167.3 | 0 | 111.9 | T445 G450 M451 Y490 | T445-K447 VanDerWaalsContact C-N 3.28Å; T445-K447 PolarHBondContact O-N 3.05Å; T445-K447 VanDerWaalsContact O-N 3.14Å; K447-G450 PolarHBondContact O-N 3.35Å; K447-M451 WeakPolarHBondContact O-CG 3.3Å; K447-M451 PolarHBondContact O-N 3.44Å; K447-Y490 HydrophobicContact CB-CD1 4.38Å; K447-Y490 HydrophobicContact CG-CD1 4.05Å |
| 448 | L | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 178.2 | -53.7 | 175.8 | 0 | 0 | 0 | 111.3 | Y410 K411 L414 I433 L436 T445 G450 M451 F452 | Y410-L448 HydrophobicContact CD1-CD1 3.92Å; Y410-L448 HydrophobicContact CD1-CD2 4.25Å; Y410-L448 HydrophobicContact CE1-CD1 3.99Å; K411-L448 HydrophobicContact CB-CD2 3.85Å; K411-L448 HydrophobicContact CD-CD2 4.49Å; K411-L448 HydrophobicContact CG-CD2 3.92Å; L414-L448 HydrophobicContact CD2-CB 4.17Å; L414-L448 HydrophobicContact CD2-CD2 3.92Å; I433-L448 HydrophobicContact CD1-CB 3.95Å; I433-L448 HydrophobicContact CG1-CB 4.32Å; L436-L448 HydrophobicContact CD1-CD1 4.25Å; T445-L448 WeakPolarHBondContact O-CA 3.35Å; T445-L448 WeakPolarHBondContact O-CB 3.4Å; T445-L448 PolarHBondContact O-N 3.3Å; L448-G450 VanDerWaalsContact C-N 3.29Å; L448-G450 PolarHBondContact O-N 3.49Å; L448-M451 HydrophobicContact CD2-SD 4.24Å; L448-M451 WeakPolarHBondContact O-CB 3.17Å; L448-M451 PolarHBondContact O-N 2.95Å; L448-F452 PolarHBondContact O-N 2.89Å |
| 449 | E | 94.6 | Very high | 92.4 | Very high | 61 Ų | 61 | 49.5 Ų | 49.5 | 29% | 0.285 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 173.5 | -66.9 | 176.4 | -168.1 | 0 | 0 | 111.2 | I433 K437 T445 M451 F452 R453 | I433-E449 HydrophobicContact CG2-CG 3.87Å; K437-E449 WeakPolarHBondContact CD-OE1 3.25Å; K437-E449 IonicContact NZ-OE1 2.65Å; K437-E449 PolarHBondContact NZ-OE1 3.44Å; K437-E449 IonicContact NZ-OE2 2.62Å; T445-E449 PolarHBondContact O-N 2.74Å; T445-E449 PolarHBondContact OG1-OE1 2.85Å; E449-M451 VanDerWaalsContact C-N 3.34Å; E449-M451 PolarHBondContact O-N 3.36Å; E449-F452 PolarHBondContact O-N 3.49Å; E449-R453 PolarHBondContact O-N 3.05Å; E449-R453 VanDerWaalsContact O-N 3.1Å |
| 450 | G | 94.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S446 K447 L448 F452 R453 D454 | S446-G450 PolarHBondContact O-N 2.89Å; K447-G450 PolarHBondContact O-N 3.35Å; L448-G450 VanDerWaalsContact C-N 3.29Å; L448-G450 PolarHBondContact O-N 3.49Å; G450-F452 PolarHBondContact O-N 3.16Å; G450-R453 WeakPolarHBondContact O-CB 3.43Å; G450-R453 PolarHBondContact O-N 3.18Å; G450-D454 PolarHBondContact O-N 3.22Å |
| 451 | M | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 176 | -66.4 | 165.4 | 58.4 | 0 | 0 | 112 | K411 L414 A415 L418 K447 L448 E449 D454 M455 W491 | K411-M451 HydrophobicContact CG-SD 3.84Å; L414-M451 HydrophobicContact CB-CE 4.27Å; L414-M451 HydrophobicContact CD2-CE 4.04Å; L414-M451 HydrophobicContact CD2-SD 4.38Å; L414-M451 HydrophobicContact CG-CE 3.97Å; A415-M451 VanDerWaalsContact CA-CE 3.5Å; A415-M451 HydrophobicContact CB-CE 3.62Å; L418-M451 HydrophobicContact CD1-CB 4.12Å; L418-M451 HydrophobicContact CD1-CE 4.19Å; K447-M451 WeakPolarHBondContact O-CG 3.3Å; K447-M451 PolarHBondContact O-N 3.44Å; L448-M451 HydrophobicContact CD2-SD 4.24Å; L448-M451 WeakPolarHBondContact O-CB 3.17Å; L448-M451 PolarHBondContact O-N 2.95Å; E449-M451 VanDerWaalsContact C-N 3.34Å; E449-M451 PolarHBondContact O-N 3.36Å; M451-D454 PolarHBondContact O-N 2.9Å; M451-M455 WeakPolarHBondContact O-CG 3.4Å; M451-M455 PolarHBondContact O-N 3.26Å; M451-M455 VanDerWaalsContact O-N 3.13Å; M451-W491 HydrophobicContact CB-CD2 4.39Å; M451-W491 HydrophobicContact CB-CH2 4.05Å; M451-W491 HydrophobicContact CB-CZ2 3.57Å; M451-W491 HydrophobicContact CE-CD2 4.26Å; M451-W491 HydrophobicContact CE-CE3 3.82Å; M451-W491 HydrophobicContact CE-CH2 4.22Å; M451-W491 HydrophobicContact CE-CZ3 3.8Å; M451-W491 HydrophobicContact CG-CD2 3.82Å; M451-W491 HydrophobicContact CG-CE3 4.33Å; M451-W491 HydrophobicContact CG-CG 4.17Å; M451-W491 HydrophobicContact CG-CH2 4.45Å; M451-W491 HydrophobicContact CG-CZ2 3.95Å; M451-W491 VanDerWaalsContact O-CZ2 3.31Å; M451-W491 WeakPolarHBondContact O-CZ2 3.45Å |
| 452 | F | 92.3 | Very high | 93.2 | Very high | 21 Ų | 21 | 48 Ų | 48 | 9% | 0.092 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 174.2 | -88.9 | -82.5 | 0 | 0 | 0 | 112.3 | L414 L418 E429 I433 L448 E449 G450 D454 M455 S456 | L414-F452 HydrophobicContact CD1-CE2 3.96Å; L414-F452 HydrophobicContact CD1-CZ 4.25Å; L414-F452 HydrophobicContact CD2-CE2 4.19Å; L418-F452 HydrophobicContact CD1-CD2 4.5Å; L418-F452 HydrophobicContact CD1-CE2 4.33Å; L418-F452 HydrophobicContact CD1-CZ 4.48Å; L418-F452 HydrophobicContact CD2-CD1 4.39Å; L418-F452 HydrophobicContact CD2-CE1 3.74Å; L418-F452 HydrophobicContact CD2-CE2 4.36Å; L418-F452 HydrophobicContact CD2-CZ 3.71Å; E429-F452 HydrophobicContact CB-CE1 4.38Å; E429-F452 HydrophobicContact CB-CE2 4.21Å; E429-F452 HydrophobicContact CB-CZ 3.5Å; E429-F452 VanDerWaalsContact CB-CZ 3.5Å; E429-F452 HydrophobicContact CG-CZ 4.26Å; I433-F452 HydrophobicContact CD1-CD2 3.65Å; I433-F452 HydrophobicContact CD1-CE2 3.45Å; I433-F452 VanDerWaalsContact CD1-CE2 3.45Å; L448-F452 PolarHBondContact O-N 2.89Å; E449-F452 PolarHBondContact O-N 3.49Å; G450-F452 PolarHBondContact O-N 3.16Å; F452-D454 VanDerWaalsContact C-N 3.31Å; F452-D454 PolarHBondContact O-N 3.4Å; F452-M455 WeakPolarHBondContact O-CB 3.46Å; F452-M455 PolarHBondContact O-N 3.3Å; F452-M455 VanDerWaalsContact O-N 3.16Å; F452-S456 PolarHBondContact O-N 3.42Å; F452-S456 PolarHBondContact O-OG 3.15Å |
| 453 | R | 94.3 | Very high | 93.4 | Very high | 164 Ų | 164 | 47.7 Ų | 47.7 | 62% | 0.619 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.4 | -43 | 177.1 | -165.7 | -177.1 | -56.7 | -168.5 | 2 | 111.6 | E449 G450 M455 S456 I457 | E449-R453 PolarHBondContact O-N 3.05Å; E449-R453 VanDerWaalsContact O-N 3.1Å; G450-R453 WeakPolarHBondContact O-CB 3.43Å; G450-R453 PolarHBondContact O-N 3.18Å; R453-M455 VanDerWaalsContact C-N 3.3Å; R453-M455 PolarHBondContact O-N 3.04Å; R453-S456 PolarHBondContact O-N 2.87Å; R453-I457 HydrophobicContact CG-CD1 3.79Å; R453-I457 HydrophobicContact CG-CG1 4.4Å; R453-I457 WeakPolarHBondContact O-CB 3.27Å; R453-I457 VanDerWaalsContact O-CG1 3.28Å; R453-I457 WeakPolarHBondContact O-CG1 3Å; R453-I457 PolarHBondContact O-N 3.34Å |
| 454 | D | 94.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.3 | -38 | 176 | -74.8 | -15.8 | 0 | 0 | 0 | 111.9 | G450 M451 F452 S458 T487 W491 | G450-D454 PolarHBondContact O-N 3.22Å; M451-D454 PolarHBondContact O-N 2.9Å; F452-D454 VanDerWaalsContact C-N 3.31Å; F452-D454 PolarHBondContact O-N 3.4Å; D454-S458 WeakPolarHBondContact O-CB 3.37Å; D454-S458 PolarHBondContact O-N 3.15Å; D454-S458 PolarHBondContact O-OG 3.15Å; D454-T487 PolarHBondContact OD1-OG1 2.73Å; D454-T487 VanDerWaalsContact OD2-CB 3.27Å; D454-T487 WeakPolarHBondContact OD2-CB 3.25Å; D454-T487 PolarHBondContact OD2-N 2.64Å; D454-T487 PolarHBondContact OD2-OG1 2.64Å; D454-W491 HydrophobicContact CB-CZ2 4.17Å; D454-W491 PolarHBondContact OD2-NE1 3.18Å |
| 455 | M | 91.9 | Very high | 94.1 | Very high | 17 Ų | 17 | 42.9 Ų | 42.9 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.5 | -47.2 | 174.9 | -67.4 | -66 | 89.5 | 0 | 0 | 112.2 | L418 L419 M451 F452 R453 S458 N459 R484 L486 W491 | L418-M455 HydrophobicContact CB-CG 4.31Å; L418-M455 HydrophobicContact CB-SD 4.3Å; L418-M455 HydrophobicContact CD1-CG 4.28Å; L419-M455 HydrophobicContact CD2-CE 4.18Å; L419-M455 HydrophobicContact CD2-SD 4.45Å; M451-M455 WeakPolarHBondContact O-CG 3.4Å; M451-M455 PolarHBondContact O-N 3.26Å; M451-M455 VanDerWaalsContact O-N 3.13Å; F452-M455 WeakPolarHBondContact O-CB 3.46Å; F452-M455 PolarHBondContact O-N 3.3Å; F452-M455 VanDerWaalsContact O-N 3.16Å; R453-M455 VanDerWaalsContact C-N 3.3Å; R453-M455 PolarHBondContact O-N 3.04Å; M455-S458 PolarHBondContact O-N 3.32Å; M455-N459 VanDerWaalsContact O-CG 3.27Å; M455-N459 PolarHBondContact O-N 3.12Å; M455-N459 PolarHBondContact O-ND2 3.42Å; M455-R484 HydrophobicContact CE-CB 4.1Å; M455-R484 HydrophobicContact CE-CG 4.41Å; M455-L486 HydrophobicContact CE-CD2 3.23Å; M455-W491 HydrophobicContact CE-CH2 3.64Å; M455-W491 HydrophobicContact CE-CZ2 3.65Å; M455-W491 HydrophobicContact CG-CH2 4.07Å; M455-W491 HydrophobicContact CG-CZ2 4.24Å; M455-W491 HydrophobicContact SD-CH2 3.97Å; M455-W491 HydrophobicContact SD-CZ2 4.41Å |
| 456 | S | 92.2 | Very high | 94.1 | Very high | 75 Ų | 75 | 48 Ų | 48 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -48.4 | 177.1 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | F452 R453 S458 N459 T460 | F452-S456 PolarHBondContact O-N 3.42Å; F452-S456 PolarHBondContact O-OG 3.15Å; R453-S456 PolarHBondContact O-N 2.87Å; S456-S458 VanDerWaalsContact C-N 3.32Å; S456-S458 PolarHBondContact O-N 3.37Å; S456-N459 PolarHBondContact O-N 3.05Å; S456-T460 PolarHBondContact O-N 2.89Å; S456-T460 VanDerWaalsContact O-N 3.14Å; S456-T460 PolarHBondContact O-OG1 3.22Å |
| 457 | I | 94.8 | Very high | 94.2 | Very high | 88 Ų | 88 | 51.4 Ų | 51.4 | 45% | 0.451 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 178.8 | -67.9 | 171.2 | 0 | 0 | 0 | 110.9 | R453 N459 T460 T461 | R453-I457 HydrophobicContact CG-CD1 3.79Å; R453-I457 HydrophobicContact CG-CG1 4.4Å; R453-I457 WeakPolarHBondContact O-CB 3.27Å; R453-I457 VanDerWaalsContact O-CG1 3.28Å; R453-I457 WeakPolarHBondContact O-CG1 3Å; R453-I457 PolarHBondContact O-N 3.34Å; I457-N459 VanDerWaalsContact C-N 3.34Å; I457-N459 PolarHBondContact O-N 3.18Å; I457-T460 PolarHBondContact O-N 3.47Å; I457-T461 WeakPolarHBondContact O-CB 3.31Å; I457-T461 PolarHBondContact O-N 2.93Å; I457-T461 PolarHBondContact O-OG1 2.89Å |
| 458 | S | 93.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 177.3 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | D454 M455 S456 T461 M462 V485 | D454-S458 WeakPolarHBondContact O-CB 3.37Å; D454-S458 PolarHBondContact O-N 3.15Å; D454-S458 PolarHBondContact O-OG 3.15Å; M455-S458 PolarHBondContact O-N 3.32Å; S456-S458 VanDerWaalsContact C-N 3.32Å; S456-S458 PolarHBondContact O-N 3.37Å; S458-T461 PolarHBondContact O-N 3.25Å; S458-M462 WeakPolarHBondContact O-CG 3.31Å; S458-M462 PolarHBondContact O-N 3.16Å; S458-V485 PolarHBondContact OG-N 3.06Å; S458-V485 PolarHBondContact OG-O 3.31Å |
| 459 | N | 92.3 | Very high | 94 | Very high | 86 Ų | 86 | 52.5 Ų | 52.5 | 46% | 0.46 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.6 | -48.4 | 177.9 | -68 | -20.4 | 0 | 0 | 0 | 110.9 | M455 S456 I457 T461 M462 D463 | M455-N459 VanDerWaalsContact O-CG 3.27Å; M455-N459 PolarHBondContact O-N 3.12Å; M455-N459 PolarHBondContact O-ND2 3.42Å; S456-N459 PolarHBondContact O-N 3.05Å; I457-N459 VanDerWaalsContact C-N 3.34Å; I457-N459 PolarHBondContact O-N 3.18Å; N459-T461 VanDerWaalsContact C-N 3.33Å; N459-T461 PolarHBondContact O-N 2.97Å; N459-M462 PolarHBondContact O-N 3.26Å; N459-M462 VanDerWaalsContact O-N 3.16Å; N459-D463 PolarHBondContact O-N 2.96Å |
| 460 | T | 95.3 | Very high | 93.8 | Very high | 81 Ų | 81 | 57.3 Ų | 57.3 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 175.4 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | S456 I457 M462 D463 E464 | S456-T460 PolarHBondContact O-N 2.89Å; S456-T460 VanDerWaalsContact O-N 3.14Å; S456-T460 PolarHBondContact O-OG1 3.22Å; I457-T460 PolarHBondContact O-N 3.47Å; T460-M462 VanDerWaalsContact C-N 3.29Å; T460-M462 PolarHBondContact O-N 2.74Å; T460-D463 PolarHBondContact O-N 3.04Å; T460-E464 WeakPolarHBondContact O-CG 3.49Å; T460-E464 PolarHBondContact O-N 3.2Å |
| 461 | T | 95.2 | Very high | 93.7 | Very high | 8 Ų | 8 | 61.4 Ų | 61.4 | 5% | 0.049 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -36.8 | 178.2 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | I457 S458 N459 F465 F516 Y517 | I457-T461 WeakPolarHBondContact O-CB 3.31Å; I457-T461 PolarHBondContact O-N 2.93Å; I457-T461 PolarHBondContact O-OG1 2.89Å; S458-T461 PolarHBondContact O-N 3.25Å; N459-T461 VanDerWaalsContact C-N 3.33Å; N459-T461 PolarHBondContact O-N 2.97Å; T461-F465 WeakPolarHBondContact O-CB 3.31Å; T461-F465 PolarHBondContact O-N 3.14Å; T461-F516 HydrophobicContact CG2-CE1 4.24Å; T461-Y517 HydrophobicContact CG2-CD2 4.07Å; T461-Y517 HydrophobicContact CG2-CE2 4.31Å |
| 462 | M | 95.2 | Very high | 93.5 | Very high | 5 Ų | 5 | 64.7 Ų | 64.7 | 3% | 0.025 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.9 | -35.2 | 175.8 | -74 | -42.8 | -55 | 0 | 0 | 112.9 | S458 N459 T460 F465 R466 V483 F513 | S458-M462 WeakPolarHBondContact O-CG 3.31Å; S458-M462 PolarHBondContact O-N 3.16Å; N459-M462 PolarHBondContact O-N 3.26Å; N459-M462 VanDerWaalsContact O-N 3.16Å; T460-M462 VanDerWaalsContact C-N 3.29Å; T460-M462 PolarHBondContact O-N 2.74Å; M462-F465 HydrophobicContact CE-CB 4.18Å; M462-F465 HydrophobicContact CE-CD1 3.42Å; M462-F465 VanDerWaalsContact CE-CD1 3.42Å; M462-F465 HydrophobicContact CE-CE1 4.17Å; M462-F465 HydrophobicContact CE-CG 4.17Å; M462-F465 PolarHBondContact O-N 3.11Å; M462-R466 WeakPolarHBondContact O-CG 3.45Å; M462-R466 PolarHBondContact O-N 3.05Å; M462-V483 WeakPolarHBondContact CG-O 3.49Å; M462-V483 HydrophobicContact SD-CB 3.79Å; M462-V483 HydrophobicContact SD-CG2 4.38Å; M462-V483 PolarHBondContact SD-N 2.93Å; M462-V483 VanDerWaalsContact SD-N 3.45Å; M462-V483 VanDerWaalsContact SD-O 3.33Å; M462-F513 HydrophobicContact CE-CD2 4.22Å; M462-F513 HydrophobicContact CE-CE2 4.18Å; M462-F513 HydrophobicContact SD-CD2 3.99Å; M462-F513 HydrophobicContact SD-CE2 3.39Å; M462-F513 WeakPolarHBondContact SD-CE2 3.48Å; M462-F513 HydrophobicContact SD-CZ 4.06Å |
| 463 | D | 94.9 | Very high | 93.2 | Very high | 74 Ų | 74 | 66.7 Ų | 66.7 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 174.9 | -67.6 | -28.5 | 0 | 0 | 0 | 111.2 | N459 T460 F465 R466 Q467 | N459-D463 PolarHBondContact O-N 2.96Å; T460-D463 PolarHBondContact O-N 3.04Å; D463-F465 VanDerWaalsContact C-N 3.32Å; D463-F465 PolarHBondContact O-N 2.82Å; D463-R466 PolarHBondContact O-N 3.46Å; D463-R466 IonicContact OD1-NH1 2.82Å; D463-R466 PolarHBondContact OD1-NH1 2.98Å; D463-Q467 WeakPolarHBondContact O-CG 3.37Å; D463-Q467 PolarHBondContact O-N 3.42Å |
| 464 | E | 95.2 | Very high | 92.9 | Very high | 62 Ų | 62 | 62 Ų | 62 | 29% | 0.29 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 171.5 | -67.5 | 174.5 | 157.6 | 0 | 0 | 112 | T460 Q467 H468 F516 K520 | T460-E464 WeakPolarHBondContact O-CG 3.49Å; T460-E464 PolarHBondContact O-N 3.2Å; E464-Q467 PolarHBondContact O-N 2.71Å; E464-H468 WeakPolarHBondContact O-CB 3.41Å; E464-H468 PolarHBondContact O-N 3.19Å; E464-F516 HydrophobicContact CB-CZ 4.15Å; E464-K520 IonicContact OE1-NZ 2.97Å; E464-K520 PolarHBondContact OE1-NZ 3.48Å; E464-K520 IonicContact OE2-NZ 3.65Å; E464-K520 PolarHBondContact OE2-NZ 3.35Å |
| 465 | F | 95.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.009 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 176.2 | 179.5 | -115.9 | 0 | 0 | 0 | 111.8 | T461 M462 D463 Q467 H468 L469 L476 I512 F513 F516 | T461-F465 WeakPolarHBondContact O-CB 3.31Å; T461-F465 PolarHBondContact O-N 3.14Å; M462-F465 HydrophobicContact CE-CB 4.18Å; M462-F465 HydrophobicContact CE-CD1 3.42Å; M462-F465 VanDerWaalsContact CE-CD1 3.42Å; M462-F465 HydrophobicContact CE-CE1 4.17Å; M462-F465 HydrophobicContact CE-CG 4.17Å; M462-F465 PolarHBondContact O-N 3.11Å; D463-F465 VanDerWaalsContact C-N 3.32Å; D463-F465 PolarHBondContact O-N 2.82Å; F465-Q467 VanDerWaalsContact C-N 3.33Å; F465-Q467 PolarHBondContact O-N 3.48Å; F465-H468 WeakPolarHBondContact O-CB 3.34Å; F465-H468 PolarHBondContact O-N 2.92Å; F465-L469 HydrophobicContact CD1-CD1 3.97Å; F465-L469 HydrophobicContact CD1-CG 4.46Å; F465-L469 HydrophobicContact CE1-CD1 3.57Å; F465-L469 HydrophobicContact CE1-CG 4.18Å; F465-L469 HydrophobicContact CE2-CD1 4.46Å; F465-L469 HydrophobicContact CE2-CD2 4.08Å; F465-L469 HydrophobicContact CE2-CG 4.2Å; F465-L469 HydrophobicContact CZ-CD1 3.85Å; F465-L469 HydrophobicContact CZ-CD2 3.94Å; F465-L469 HydrophobicContact CZ-CG 4.05Å; F465-L469 WeakPolarHBondContact O-CG 3.34Å; F465-L469 PolarHBondContact O-N 3.38Å; F465-L476 HydrophobicContact CE1-CD1 4.38Å; F465-L476 HydrophobicContact CZ-CD2 4.18Å; F465-I512 HydrophobicContact CE2-CG2 4.15Å; F465-I512 HydrophobicContact CZ-CG2 4.11Å; F465-F513 HydrophobicContact CB-CD2 4.42Å; F465-F513 HydrophobicContact CB-CE2 4.46Å; F465-F513 AromaticContact CD1-CD2 3.93Å; F465-F513 HydrophobicContact CD1-CD2 3.93Å; F465-F513 AromaticContact CD2-CD2 3.96Å; F465-F513 HydrophobicContact CD2-CD2 3.96Å; F465-F513 HydrophobicContact CE1-CB 4.28Å; F465-F513 HydrophobicContact CE1-CD2 4.06Å; F465-F513 HydrophobicContact CE2-CB 4.14Å; F465-F513 HydrophobicContact CE2-CD2 4.13Å; F465-F513 AromaticContact CG-CD2 3.84Å; F465-F513 HydrophobicContact CG-CD2 3.84Å; F465-F513 HydrophobicContact CG-CE2 4.36Å; F465-F513 HydrophobicContact CZ-CB 3.84Å; F465-F513 HydrophobicContact CZ-CD2 4.15Å; F465-F516 HydrophobicContact CB-CD1 4.08Å; F465-F516 HydrophobicContact CB-CE1 3.69Å; F465-F516 HydrophobicContact CB-CZ 4.07Å; F465-F516 HydrophobicContact CD2-CB 3.94Å; F465-F516 AromaticContact CD2-CD1 3.5Å; F465-F516 HydrophobicContact CD2-CD1 3.5Å; F465-F516 VanDerWaalsContact CD2-CD1 3.5Å; F465-F516 HydrophobicContact CD2-CD2 4.15Å; F465-F516 AromaticContact CD2-CE1 4Å; F465-F516 HydrophobicContact CD2-CE1 4Å; F465-F516 AromaticContact CD2-CG 3.59Å; F465-F516 HydrophobicContact CD2-CG 3.59Å; F465-F516 HydrophobicContact CE2-CB 4.03Å; F465-F516 HydrophobicContact CE2-CD1 4.34Å; F465-F516 HydrophobicContact CE2-CG 4.19Å; F465-F516 HydrophobicContact CG-CD1 4.18Å; F465-F516 HydrophobicContact CG-CE1 4.3Å |
| 466 | R | 93.7 | Very high | 92.4 | Very high | 107 Ų | 107 | 65.8 Ų | 65.8 | 40% | 0.404 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 176.1 | -72.1 | 171.7 | -174.1 | 145.9 | -3.4 | 111.6 | M462 D463 L469 Q470 | M462-R466 WeakPolarHBondContact O-CG 3.45Å; M462-R466 PolarHBondContact O-N 3.05Å; D463-R466 PolarHBondContact O-N 3.46Å; D463-R466 IonicContact OD1-NH1 2.82Å; D463-R466 PolarHBondContact OD1-NH1 2.98Å; R466-L469 PolarHBondContact O-N 3.5Å; R466-Q470 WeakPolarHBondContact O-CG 3.26Å; R466-Q470 PolarHBondContact O-N 2.9Å; R466-Q470 VanDerWaalsContact O-N 3.1Å |
| 467 | Q | 93.8 | Very high | 91.9 | Very high | 128 Ų | 128 | 65 Ų | 65 | 60% | 0.598 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.5 | -41.3 | 174.7 | -69.9 | 173.5 | 16.7 | 0 | 0 | 111.6 | D463 E464 F465 L469 Q470 A471 | D463-Q467 WeakPolarHBondContact O-CG 3.37Å; D463-Q467 PolarHBondContact O-N 3.42Å; E464-Q467 PolarHBondContact O-N 2.71Å; F465-Q467 VanDerWaalsContact C-N 3.33Å; F465-Q467 PolarHBondContact O-N 3.48Å; Q467-L469 PolarHBondContact O-N 3.4Å; Q467-Q470 PolarHBondContact O-N 3.35Å; Q467-A471 WeakPolarHBondContact O-CB 3.43Å; Q467-A471 PolarHBondContact O-N 3.26Å |
| 468 | H | 93 | Very high | 91.4 | Very high | 79 Ų | 79 | 64.7 Ų | 64.7 | 37% | 0.366 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 176.1 | -178.1 | 75 | 0 | 0 | 0 | 112.3 | E464 F465 Q470 A471 T472 F516 | E464-H468 WeakPolarHBondContact O-CB 3.41Å; E464-H468 PolarHBondContact O-N 3.19Å; F465-H468 WeakPolarHBondContact O-CB 3.34Å; F465-H468 PolarHBondContact O-N 2.92Å; H468-Q470 VanDerWaalsContact C-N 3.34Å; H468-Q470 PolarHBondContact O-N 3.17Å; H468-A471 PolarHBondContact O-N 3.05Å; H468-T472 VanDerWaalsContact CE1-CG2 3.44Å; H468-T472 WeakPolarHBondContact CE1-CG2 3.34Å; H468-T472 WeakPolarHBondContact O-CB 3.36Å; H468-T472 WeakPolarHBondContact O-CG2 3.41Å; H468-T472 PolarHBondContact O-N 2.84Å; H468-T472 PolarHBondContact O-OG1 3.29Å; H468-F516 HydrophobicContact CB-CD2 4.1Å; H468-F516 HydrophobicContact CB-CE2 3.83Å; H468-F516 AromaticContact CD2-CD2 3.74Å; H468-F516 AromaticContact CG-CD2 3.81Å; H468-F516 AromaticContact CG-CE2 3.96Å |
| 469 | L | 92.4 | Very high | 91.3 | Very high | 27 Ų | 27 | 66.5 Ų | 66.5 | 14% | 0.141 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.4 | -67.7 | 174.9 | 0 | 0 | 0 | 111.8 | F465 R466 Q467 G473 V474 L476 I512 | F465-L469 HydrophobicContact CD1-CD1 3.97Å; F465-L469 HydrophobicContact CD1-CG 4.46Å; F465-L469 HydrophobicContact CE1-CD1 3.57Å; F465-L469 HydrophobicContact CE1-CG 4.18Å; F465-L469 HydrophobicContact CE2-CD1 4.46Å; F465-L469 HydrophobicContact CE2-CD2 4.08Å; F465-L469 HydrophobicContact CE2-CG 4.2Å; F465-L469 HydrophobicContact CZ-CD1 3.85Å; F465-L469 HydrophobicContact CZ-CD2 3.94Å; F465-L469 HydrophobicContact CZ-CG 4.05Å; F465-L469 WeakPolarHBondContact O-CG 3.34Å; F465-L469 PolarHBondContact O-N 3.38Å; R466-L469 PolarHBondContact O-N 3.5Å; Q467-L469 PolarHBondContact O-N 3.4Å; L469-G473 WeakPolarHBondContact O-CA 3.12Å; L469-G473 PolarHBondContact O-N 2.93Å; L469-V474 HydrophobicContact CD2-CB 4.13Å; L469-V474 HydrophobicContact CD2-CG1 4.24Å; L469-L476 HydrophobicContact CD1-CD1 3.75Å; L469-L476 HydrophobicContact CD1-CD2 4.27Å; L469-L476 HydrophobicContact CD1-CG 3.99Å; L469-L476 HydrophobicContact CD2-CD2 4.06Å; L469-L476 HydrophobicContact CD2-CG 4.42Å; L469-I512 HydrophobicContact CD2-CG2 4.26Å |
| 470 | Q | 90.1 | Very high | 91.3 | Very high | 162 Ų | 162 | 69.5 Ų | 69.5 | 76% | 0.757 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | 176.2 | -70.5 | 174 | 2.8 | 0 | 0 | 112 | R466 Q467 H468 | R466-Q470 WeakPolarHBondContact O-CG 3.26Å; R466-Q470 PolarHBondContact O-N 2.9Å; R466-Q470 VanDerWaalsContact O-N 3.1Å; Q467-Q470 PolarHBondContact O-N 3.35Å; H468-Q470 VanDerWaalsContact C-N 3.34Å; H468-Q470 PolarHBondContact O-N 3.17Å |
| 471 | A | 92.1 | Very high | 91.2 | Very high | 90 Ų | 90 | 67.2 Ų | 67.2 | 74% | 0.744 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -73 | -35.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q467 H468 | Q467-A471 WeakPolarHBondContact O-CB 3.43Å; Q467-A471 PolarHBondContact O-N 3.26Å; H468-A471 PolarHBondContact O-N 3.05Å |
| 472 | T | 90.2 | Very high | 91.1 | Very high | 68 Ų | 68 | 70.7 Ų | 70.7 | 42% | 0.417 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -93.3 | -15.2 | -177.2 | 56.9 | 0 | 0 | 0 | 0 | 113.9 | H468 V474 | H468-T472 VanDerWaalsContact CE1-CG2 3.44Å; H468-T472 WeakPolarHBondContact CE1-CG2 3.34Å; H468-T472 WeakPolarHBondContact O-CB 3.36Å; H468-T472 WeakPolarHBondContact O-CG2 3.41Å; H468-T472 PolarHBondContact O-N 2.84Å; H468-T472 PolarHBondContact O-OG1 3.29Å; T472-V474 PolarHBondContact O-N 3.41Å; T472-V474 WeakPolarHBondContact OG1-CG2 3.39Å |
| 473 | G | 86.4 | Confident | 91 | Very high | 64 Ų | 64 | 71.3 Ų | 71.3 | 66% | 0.66 | 44% | 0.436 | S | S | * | . | trans | 68.5 | 13.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L469 S475 | L469-G473 WeakPolarHBondContact O-CA 3.12Å; L469-G473 PolarHBondContact O-N 2.93Å; G473-S475 PolarHBondContact O-N 3.01Å | ||
| 474 | V | 88.9 | Confident | 90.9 | Very high | 64 Ų | 64 | 72.1 Ų | 72.1 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | trans | -68.4 | 124.2 | 179 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | L469 T472 I512 | L469-V474 HydrophobicContact CD2-CB 4.13Å; L469-V474 HydrophobicContact CD2-CG1 4.24Å; T472-V474 PolarHBondContact O-N 3.41Å; T472-V474 WeakPolarHBondContact OG1-CG2 3.39Å; V474-I512 HydrophobicContact CG1-CD1 3.93Å; V474-I512 HydrophobicContact CG1-CG1 4.45Å; V474-I512 HydrophobicContact CG1-CG2 3.91Å | ||
| 475 | S | 86.8 | Confident | 90.8 | Very high | 86 Ų | 86 | 70.3 Ų | 70.3 | 60% | 0.601 | 43% | 0.427 | S | S | * | . | trans | -89.6 | 137.6 | 179.5 | 180 | 0 | 0 | 0 | 0 | 112.2 | G473 G477 | G473-S475 PolarHBondContact O-N 3.01Å; S475-G477 VanDerWaalsContact C-N 3.29Å; S475-G477 PolarHBondContact OG-N 3.46Å | ||
| 476 | L | 89.1 | Confident | 90.7 | Very high | 24 Ų | 24 | 72.5 Ų | 72.5 | 13% | 0.126 | 44% | 0.438 | C | S | . | . | trans | -87.6 | 10.4 | 172.7 | -59.7 | -177.1 | 0 | 0 | 0 | 113.4 | F465 L469 G478 V479 L481 A509 I512 | F465-L476 HydrophobicContact CE1-CD1 4.38Å; F465-L476 HydrophobicContact CZ-CD2 4.18Å; L469-L476 HydrophobicContact CD1-CD1 3.75Å; L469-L476 HydrophobicContact CD1-CD2 4.27Å; L469-L476 HydrophobicContact CD1-CG 3.99Å; L469-L476 HydrophobicContact CD2-CD2 4.06Å; L469-L476 HydrophobicContact CD2-CG 4.42Å; L476-G478 PolarHBondContact O-N 2.91Å; L476-V479 WeakPolarHBondContact CB-O 3.28Å; L476-V479 PolarHBondContact O-N 3.41Å; L476-L481 HydrophobicContact CD1-CB 4.1Å; L476-A509 HydrophobicContact CB-CB 4.3Å; L476-A509 HydrophobicContact CD2-CB 4.32Å; L476-I512 HydrophobicContact CD2-CB 4.18Å; L476-I512 HydrophobicContact CD2-CD1 3.87Å; L476-I512 HydrophobicContact CD2-CG2 4.04Å | ||
| 477 | G | 82 | Confident | 90.7 | Very high | 57 Ų | 57 | 70.2 Ų | 70.2 | 59% | 0.588 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 34.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | S475 V479 | S475-G477 VanDerWaalsContact C-N 3.29Å; S475-G477 PolarHBondContact OG-N 3.46Å; G477-V479 VanDerWaalsContact C-N 3.33Å; G477-V479 PolarHBondContact O-N 3.44Å |
| 478 | G | 83.4 | Confident | 90.4 | Very high | 83 Ų | 83 | 70.1 Ų | 70.1 | 86% | 0.856 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 5.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L476 | L476-G478 PolarHBondContact O-N 2.91Š|
| 479 | V | 91.8 | Very high | 90.1 | Very high | 40 Ų | 40 | 68.4 Ų | 68.4 | 24% | 0.242 | 45% | 0.449 | C | S | . | . | trans | -91.3 | 123.8 | 174.7 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | L476 G477 A505 A509 | L476-V479 WeakPolarHBondContact CB-O 3.28Å; L476-V479 PolarHBondContact O-N 3.41Å; G477-V479 VanDerWaalsContact C-N 3.33Å; G477-V479 PolarHBondContact O-N 3.44Å; V479-A505 HydrophobicContact CG2-CB 4.1Å; V479-A509 HydrophobicContact CB-CB 4.12Å; V479-A509 HydrophobicContact CG1-CB 4.14Å | ||
| 480 | D | 91.9 | Very high | 89.9 | Confident | 149 Ų | 149 | 71.1 Ų | 71.1 | 80% | 0.797 | 46% | 0.458 | S | S | * | . | trans | -82.9 | 112 | 165.3 | -176.5 | 12.6 | 0 | 0 | 0 | 109.4 | ||||
| 481 | L | 93.4 | Very high | 90 | Very high | 32 Ų | 32 | 63.7 Ų | 63.7 | 17% | 0.168 | 42% | 0.423 | C | S | . | . | trans | -111.8 | 124.2 | -172.7 | -178.3 | 68.3 | 0 | 0 | 0 | 111.3 | L476 V483 A509 F513 | L476-L481 HydrophobicContact CD1-CB 4.1Å; L481-V483 HydrophobicContact CD1-CG2 3.95Å; L481-V483 HydrophobicContact CD2-CG2 3.8Å; L481-V483 HydrophobicContact CG-CG2 3.73Å; L481-A509 HydrophobicContact CD2-CB 4.15Å; L481-A509 WeakPolarHBondContact CD2-O 3.36Å; L481-F513 HydrophobicContact CD2-CB 3.98Å | ||
| 482 | T | 93.1 | Very high | 89.6 | Confident | 81 Ų | 81 | 60.6 Ų | 60.6 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | trans | -119.5 | 120.7 | 166.6 | -62.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 483 | V | 93.4 | Very high | 88.7 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 12% | 0.115 | 39% | 0.39 | C | S | . | . | trans | -111.5 | 141 | 178.9 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | M462 L481 V485 F513 | M462-V483 WeakPolarHBondContact CG-O 3.49Å; M462-V483 HydrophobicContact SD-CB 3.79Å; M462-V483 HydrophobicContact SD-CG2 4.38Å; M462-V483 PolarHBondContact SD-N 2.93Å; M462-V483 VanDerWaalsContact SD-N 3.45Å; M462-V483 VanDerWaalsContact SD-O 3.33Å; L481-V483 HydrophobicContact CD1-CG2 3.95Å; L481-V483 HydrophobicContact CD2-CG2 3.8Å; L481-V483 HydrophobicContact CG-CG2 3.73Å; V483-V485 HydrophobicContact CG1-CG2 4.34Å; V483-F513 HydrophobicContact CB-CD1 4.04Å; V483-F513 HydrophobicContact CB-CD2 4.37Å; V483-F513 HydrophobicContact CB-CE1 3.77Å; V483-F513 HydrophobicContact CB-CE2 4.12Å; V483-F513 HydrophobicContact CB-CG 4.33Å; V483-F513 HydrophobicContact CB-CZ 3.81Å; V483-F513 HydrophobicContact CG1-CD1 3.95Å; V483-F513 HydrophobicContact CG1-CE1 3.49Å; V483-F513 VanDerWaalsContact CG1-CE1 3.49Å; V483-F513 HydrophobicContact CG1-CZ 3.91Å; V483-F513 HydrophobicContact CG2-CB 4.43Å; V483-F513 HydrophobicContact CG2-CD1 3.78Å; V483-F513 HydrophobicContact CG2-CD2 4.13Å; V483-F513 HydrophobicContact CG2-CE1 4.07Å; V483-F513 HydrophobicContact CG2-CE2 4.38Å; V483-F513 HydrophobicContact CG2-CG 3.82Å; V483-F513 HydrophobicContact CG2-CZ 4.35Å | ||
| 484 | R | 92.6 | Very high | 87.8 | Confident | 90 Ų | 90 | 61.4 Ų | 61.4 | 34% | 0.34 | 38% | 0.38 | S | S | . | . | trans | -117.5 | 121.1 | 169.1 | -64.3 | -174.1 | -179.7 | 130.8 | -10.2 | 108.8 | L419 M455 L486 | L419-R484 PolarHBondContact O-NH1 3.26Å; M455-R484 HydrophobicContact CE-CB 4.1Å; M455-R484 HydrophobicContact CE-CG 4.41Å; R484-L486 HydrophobicContact CB-CD2 4.33Å | ||
| 485 | V | 93.6 | Very high | 86.5 | Confident | 24 Ų | 24 | 63.7 Ų | 63.7 | 15% | 0.145 | 40% | 0.399 | C | S | . | . | trans | -97 | 121.7 | -178.6 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | S458 V483 F513 Y517 L526 | S458-V485 PolarHBondContact OG-N 3.06Å; S458-V485 PolarHBondContact OG-O 3.31Å; V483-V485 HydrophobicContact CG1-CG2 4.34Å; V485-F513 HydrophobicContact CG2-CE1 3.99Å; V485-F513 HydrophobicContact CG2-CZ 3.87Å; V485-Y517 HydrophobicContact CB-CE2 4.24Å; V485-Y517 HydrophobicContact CG1-CE1 4.45Å; V485-Y517 HydrophobicContact CG1-CE2 4Å; V485-Y517 HydrophobicContact CG2-CD2 4.12Å; V485-Y517 HydrophobicContact CG2-CE2 3.88Å; V485-L526 HydrophobicContact CG1-CD2 3.87Å | ||
| 486 | L | 93.1 | Very high | 85.5 | Confident | 48 Ų | 48 | 63 Ų | 63 | 25% | 0.251 | 40% | 0.399 | S | S | . | . | trans | -116 | 136.1 | -170.6 | -52.2 | -175.1 | 0 | 0 | 0 | 110.3 | L419 M455 R484 T488 W491 M532 | L419-L486 HydrophobicContact CD2-CD1 4.1Å; L419-L486 HydrophobicContact CD2-CD2 4.39Å; M455-L486 HydrophobicContact CE-CD2 3.23Å; R484-L486 HydrophobicContact CB-CD2 4.33Å; L486-T488 PolarHBondContact O-N 2.9Å; L486-W491 HydrophobicContact CB-CD2 4.28Å; L486-W491 HydrophobicContact CB-CG 4.02Å; L486-W491 HydrophobicContact CD1-CD2 3.85Å; L486-W491 HydrophobicContact CD1-CE3 3.98Å; L486-W491 HydrophobicContact CD1-CG 4.15Å; L486-W491 HydrophobicContact CD1-CZ3 4.45Å; L486-W491 HydrophobicContact CD2-CD2 4.14Å; L486-W491 HydrophobicContact CD2-CH2 4.1Å; L486-W491 HydrophobicContact CD2-CZ2 3.61Å; L486-W491 HydrophobicContact CG-CD2 4.31Å; L486-M532 HydrophobicContact CD1-CE 4.34Å | ||
| 487 | T | 93.5 | Very high | 84.7 | Confident | 59 Ų | 59 | 64 Ų | 64 | 36% | 0.362 | 41% | 0.406 | S | S | . | . | trans | -74.4 | 122.5 | 178.6 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | D454 G489 Y490 | D454-T487 PolarHBondContact OD1-OG1 2.73Å; D454-T487 VanDerWaalsContact OD2-CB 3.27Å; D454-T487 WeakPolarHBondContact OD2-CB 3.25Å; D454-T487 PolarHBondContact OD2-N 2.64Å; D454-T487 PolarHBondContact OD2-OG1 2.64Å; T487-G489 PolarHBondContact O-N 2.94Å; T487-Y490 HydrophobicContact CG2-CD2 3.86Å; T487-Y490 HydrophobicContact CG2-CE2 3.99Å; T487-Y490 HydrophobicContact CG2-CG 4.27Å; T487-Y490 PolarHBondContact O-N 2.81Å | ||
| 488 | T | 88.6 | Confident | 84.4 | Confident | 126 Ų | 126 | 61.9 Ų | 61.9 | 77% | 0.773 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 131.5 | 176.3 | -60.7 | 0 | 0 | 0 | 0 | 109.9 | L486 | L486-T488 PolarHBondContact O-N 2.9Š|
| 489 | G | 85.3 | Confident | 84.4 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 45% | 0.454 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | -22.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | T487 | T487-G489 PolarHBondContact O-N 2.94Š|
| 490 | Y | 89.6 | Confident | 84.3 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 33% | 0.329 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -41.3 | 170 | -67.6 | -10.4 | 0 | 0 | 0 | 111.5 | K447 T487 | K447-Y490 HydrophobicContact CB-CD1 4.38Å; K447-Y490 HydrophobicContact CG-CD1 4.05Å; T487-Y490 HydrophobicContact CG2-CD2 3.86Å; T487-Y490 HydrophobicContact CG2-CE2 3.99Å; T487-Y490 HydrophobicContact CG2-CG 4.27Å; T487-Y490 PolarHBondContact O-N 2.81Å |
| 491 | W | 90.3 | Very high | 84.3 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 2% | 0.023 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -89.9 | 147.8 | -175.5 | -65.7 | 77.3 | 0 | 0 | 0 | 112.4 | A415 L418 L419 M451 D454 M455 L486 T493 | A415-W491 HydrophobicContact CB-CE3 3.82Å; A415-W491 HydrophobicContact CB-CZ3 3.95Å; L418-W491 HydrophobicContact CB-CH2 4.17Å; L418-W491 HydrophobicContact CB-CZ3 4.48Å; L418-W491 HydrophobicContact CD1-CH2 3.94Å; L419-W491 HydrophobicContact CD1-CE3 4.27Å; L419-W491 HydrophobicContact CD1-CZ3 3.96Å; L419-W491 HydrophobicContact CD2-CH2 4.28Å; L419-W491 HydrophobicContact CD2-CZ3 4.01Å; L419-W491 HydrophobicContact CG-CH2 4.39Å; L419-W491 HydrophobicContact CG-CZ3 3.77Å; M451-W491 HydrophobicContact CB-CD2 4.39Å; M451-W491 HydrophobicContact CB-CH2 4.05Å; M451-W491 HydrophobicContact CB-CZ2 3.57Å; M451-W491 HydrophobicContact CE-CD2 4.26Å; M451-W491 HydrophobicContact CE-CE3 3.82Å; M451-W491 HydrophobicContact CE-CH2 4.22Å; M451-W491 HydrophobicContact CE-CZ3 3.8Å; M451-W491 HydrophobicContact CG-CD2 3.82Å; M451-W491 HydrophobicContact CG-CE3 4.33Å; M451-W491 HydrophobicContact CG-CG 4.17Å; M451-W491 HydrophobicContact CG-CH2 4.45Å; M451-W491 HydrophobicContact CG-CZ2 3.95Å; M451-W491 VanDerWaalsContact O-CZ2 3.31Å; M451-W491 WeakPolarHBondContact O-CZ2 3.45Å; D454-W491 HydrophobicContact CB-CZ2 4.17Å; D454-W491 PolarHBondContact OD2-NE1 3.18Å; M455-W491 HydrophobicContact CE-CH2 3.64Å; M455-W491 HydrophobicContact CE-CZ2 3.65Å; M455-W491 HydrophobicContact CG-CH2 4.07Å; M455-W491 HydrophobicContact CG-CZ2 4.24Å; M455-W491 HydrophobicContact SD-CH2 3.97Å; M455-W491 HydrophobicContact SD-CZ2 4.41Å; L486-W491 HydrophobicContact CB-CD2 4.28Å; L486-W491 HydrophobicContact CB-CG 4.02Å; L486-W491 HydrophobicContact CD1-CD2 3.85Å; L486-W491 HydrophobicContact CD1-CE3 3.98Å; L486-W491 HydrophobicContact CD1-CG 4.15Å; L486-W491 HydrophobicContact CD1-CZ3 4.45Å; L486-W491 HydrophobicContact CD2-CD2 4.14Å; L486-W491 HydrophobicContact CD2-CH2 4.1Å; L486-W491 HydrophobicContact CD2-CZ2 3.61Å; L486-W491 HydrophobicContact CG-CD2 4.31Å; W491-T493 PolarHBondContact O-N 3.49Å |
| 492 | P | 83.7 | Confident | 84.2 | Confident | 24 Ų | 24 | 59.3 Ų | 59.3 | 16% | 0.156 | 34% | 0.341 | C | S | . | . | trans | -69.2 | 101.3 | 171.9 | 28.6 | -29.5 | 0 | 0 | 0 | 108.5 | Q412 A415 | Q412-P492 HydrophobicContact CG-CB 3.99Å; Q412-P492 HydrophobicContact CG-CG 4.42Å; A415-P492 HydrophobicContact CB-CG 3.5Å; A415-P492 VanDerWaalsContact CB-CG 3.5Å | ||
| 493 | T | 71.6 | Confident | 84.2 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 33% | 0.325 | 32% | 0.322 | S | S | . | . | trans | -112 | 148.7 | 177.8 | 44.1 | 0 | 0 | 0 | 0 | 109.9 | W491 | W491-T493 PolarHBondContact O-N 3.49Š| ||
| 494 | Q | 67.5 | Low | 84.1 | Confident | 97 Ų | 97 | 60.5 Ų | 60.5 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | trans | -72.8 | 150.9 | 171.1 | -65 | -175.6 | 10.3 | 0 | 0 | 109.7 | A496 | Q494-A496 PolarHBondContact O-N 3.23Š| ||
| 495 | S | 61.4 | Low | 84 | Confident | 112 Ų | 112 | 58.6 Ų | 58.6 | 78% | 0.783 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -62 | -25.6 | -179 | -41.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 496 | A | 67.7 | Low | 84 | Confident | 72 Ų | 72 | 59 Ų | 59 | 60% | 0.595 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -132 | 133 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q494 P498 | Q494-A496 PolarHBondContact O-N 3.23Å; A496-P498 WeakPolarHBondContact O-CD 3.49Å |
| 497 | T | 71 | Confident | 83.9 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 28% | 0.276 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -70 | 124.8 | 171.8 | -60.1 | 0 | 0 | 0 | 0 | 108.8 | K499 L528 Q529 | T497-K499 PolarHBondContact O-N 2.87Å; T497-L528 VanDerWaalsContact CG2-O 3.23Å; T497-L528 WeakPolarHBondContact CG2-O 3.48Å; T497-Q529 PolarHBondContact OG1-NE2 3.5Å; T497-Q529 PolarHBondContact OG1-OE1 2.98Å |
| 498 | P | 76.2 | Confident | 83.9 | Confident | 11 Ų | 11 | 66 Ų | 66 | 7% | 0.071 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 130.7 | 172.6 | -26 | 35.2 | 0 | 0 | 0 | 110.4 | A496 H530 H531 F575 P601 | A496-P498 WeakPolarHBondContact O-CD 3.49Å; P498-H530 PolarHBondContact O-ND1 3.25Å; P498-H531 HydrophobicContact CG-CB 4.32Å; P498-F575 HydrophobicContact CB-CE1 4.5Å; P498-F575 HydrophobicContact CB-CZ 3.84Å; P498-F575 HydrophobicContact CG-CZ 4.37Å; P498-P601 HydrophobicContact CB-CG 4.03Å |
| 499 | K | 82.5 | Confident | 84.2 | Confident | 136 Ų | 136 | 60 Ų | 60 | 59% | 0.591 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 147.7 | 172 | -60.7 | -171.3 | -173.3 | 177.1 | 0 | 109.6 | T497 D599 | T497-K499 PolarHBondContact O-N 2.87Å; K499-D599 CarbonylContact C-O 3.49Å; K499-D599 HydrophobicContact CB-CB 4.45Å; K499-D599 WeakPolarHBondContact CB-O 3.19Å; K499-D599 VanDerWaalsContact CB-OD2 3.29Å; K499-D599 WeakPolarHBondContact CB-OD2 3.29Å; K499-D599 WeakPolarHBondContact CD-OD2 3.37Å |
| 500 | C | 90.6 | Very high | 84.6 | Confident | 13 Ų | 13 | 59 Ų | 59 | 9% | 0.088 | 33% | 0.325 | C | S | . | . | trans | -167.4 | 124 | 178.6 | -170.8 | 0 | 0 | 0 | 0 | 109.1 | I502 H530 F575 T598 | C500-I502 PolarHBondContact O-N 2.81Å; C500-H530 HydrophobicContact CB-CB 3.87Å; C500-H530 VanDerWaalsContact CB-CG 3.5Å; C500-F575 HydrophobicContact CB-CD1 4.45Å; C500-F575 HydrophobicContact CB-CE1 4.07Å; C500-T598 CarbonylContact C-O 3.52Å; C500-T598 WeakPolarHBondContact CA-O 3.42Å | ||
| 501 | N | 92.7 | Very high | 84.8 | Confident | 75 Ų | 75 | 57.8 Ų | 57.8 | 40% | 0.401 | 32% | 0.322 | S | S | . | . | trans | -82.2 | 94.3 | 172.2 | -69.4 | -27.9 | 0 | 0 | 0 | 109.6 | T578 E597 T598 | N501-T578 WeakPolarHBondContact O-CG2 3.43Å; N501-E597 WeakPolarHBondContact CB-O 3.29Å; N501-E597 PolarHBondContact ND2-O 3.48Å; N501-T598 PolarHBondContact N-O 3.23Å | ||
| 502 | I | 91.3 | Very high | 85 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 14% | 0.138 | 33% | 0.327 | C | S | . | . | trans | -65.1 | 137.1 | 178.1 | -60.6 | 177.4 | 0 | 0 | 0 | 110.3 | C500 P506 R507 L528 | C500-I502 PolarHBondContact O-N 2.81Å; I502-P506 HydrophobicContact CG2-CB 4Å; I502-P506 HydrophobicContact CG2-CG 3.75Å; I502-R507 HydrophobicContact CB-CB 4.37Å; I502-R507 HydrophobicContact CG2-CB 4.11Å; I502-L528 HydrophobicContact CD1-CD2 3.28Å; I502-L528 HydrophobicContact CD1-CG 4.47Å | ||
| 503 | P | 92.2 | Very high | 85.5 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 10% | 0.097 | 32% | 0.32 | C | S | . | . | trans | -54.4 | 152.3 | 175.1 | -26.6 | 34.9 | 0 | 0 | 0 | 113.7 | A505 P506 R507 M581 | P503-A505 PolarHBondContact O-N 3.38Å; P503-P506 HydrophobicContact CB-CG 4.02Å; P503-P506 HydrophobicContact CG-CG 4.46Å; P503-P506 VanDerWaalsContact O-CD 3.26Å; P503-P506 WeakPolarHBondContact O-CD 3.45Å; P503-P506 WeakPolarHBondContact O-CG 3.34Å; P503-R507 WeakPolarHBondContact O-CB 3.15Å; P503-R507 PolarHBondContact O-N 3.43Å; P503-R507 VanDerWaalsContact O-N 3.1Å; P503-M581 HydrophobicContact CB-CB 4.38Å; P503-M581 HydrophobicContact CB-CG 4.43Å; P503-M581 HydrophobicContact CG-CB 3.85Å; P503-M581 HydrophobicContact CG-CG 3.95Å | ||
| 504 | P | 90.8 | Very high | 86.6 | Confident | 110 Ų | 110 | 58.9 Ų | 58.9 | 71% | 0.714 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -55.8 | -44 | -171.1 | -28.9 | 35.5 | 0 | 0 | 0 | 115.5 | R507 H508 | P504-R507 PolarHBondContact O-N 3.13Å; P504-H508 WeakPolarHBondContact O-CB 3.46Å; P504-H508 PolarHBondContact O-N 2.94Å |
| 505 | A | 91.1 | Very high | 87.9 | Confident | 50 Ų | 50 | 63 Ų | 63 | 41% | 0.413 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.5 | -56.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V479 P503 R507 H508 A509 | V479-A505 HydrophobicContact CG2-CB 4.1Å; P503-A505 PolarHBondContact O-N 3.38Å; A505-R507 VanDerWaalsContact C-N 3.29Å; A505-R507 PolarHBondContact O-N 3.45Å; A505-H508 PolarHBondContact O-N 2.91Å; A505-A509 PolarHBondContact O-N 3.29Å; A505-A509 VanDerWaalsContact O-N 3.13Å |
| 506 | P | 92.5 | Very high | 89.5 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 20% | 0.201 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -31.3 | 175.4 | 20.3 | -29.7 | 0 | 0 | 0 | 113.2 | I502 P503 F510 M577 | I502-P506 HydrophobicContact CG2-CB 4Å; I502-P506 HydrophobicContact CG2-CG 3.75Å; P503-P506 HydrophobicContact CB-CG 4.02Å; P503-P506 HydrophobicContact CG-CG 4.46Å; P503-P506 VanDerWaalsContact O-CD 3.26Å; P503-P506 WeakPolarHBondContact O-CD 3.45Å; P503-P506 WeakPolarHBondContact O-CG 3.34Å; P506-F510 WeakPolarHBondContact O-CB 3.44Å; P506-F510 PolarHBondContact O-N 3.35Å; P506-M577 HydrophobicContact CG-CE 4.12Å; P506-M577 HydrophobicContact CG-SD 4.44Å |
| 507 | R | 92.4 | Very high | 90.8 | Very high | 145 Ų | 145 | 56.2 Ų | 56.2 | 55% | 0.547 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 174.2 | -178.2 | 176.4 | 179.2 | 152.5 | -0.7 | 111.8 | I502 P503 P504 A505 F510 E511 | I502-R507 HydrophobicContact CB-CB 4.37Å; I502-R507 HydrophobicContact CG2-CB 4.11Å; P503-R507 WeakPolarHBondContact O-CB 3.15Å; P503-R507 PolarHBondContact O-N 3.43Å; P503-R507 VanDerWaalsContact O-N 3.1Å; P504-R507 PolarHBondContact O-N 3.13Å; A505-R507 VanDerWaalsContact C-N 3.29Å; A505-R507 PolarHBondContact O-N 3.45Å; R507-F510 PolarHBondContact O-N 2.92Å; R507-E511 PolarHBondContact O-N 3.16Å |
| 508 | H | 93.2 | Very high | 91.9 | Very high | 110 Ų | 110 | 56.8 Ų | 56.8 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 177.1 | -179.6 | 66.9 | 0 | 0 | 0 | 111.7 | P504 A505 F510 E511 I512 | P504-H508 WeakPolarHBondContact O-CB 3.46Å; P504-H508 PolarHBondContact O-N 2.94Å; A505-H508 PolarHBondContact O-N 2.91Å; H508-F510 VanDerWaalsContact C-N 3.3Å; H508-F510 PolarHBondContact O-N 3.21Å; H508-E511 PolarHBondContact O-N 3.34Å; H508-I512 PolarHBondContact O-N 3.05Å; H508-I512 VanDerWaalsContact O-N 3.12Å |
| 509 | A | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | L476 V479 L481 A505 I512 F513 | L476-A509 HydrophobicContact CB-CB 4.3Å; L476-A509 HydrophobicContact CD2-CB 4.32Å; V479-A509 HydrophobicContact CB-CB 4.12Å; V479-A509 HydrophobicContact CG1-CB 4.14Å; L481-A509 HydrophobicContact CD2-CB 4.15Å; L481-A509 WeakPolarHBondContact CD2-O 3.36Å; A505-A509 PolarHBondContact O-N 3.29Å; A505-A509 VanDerWaalsContact O-N 3.13Å; A509-I512 PolarHBondContact O-N 3.2Å; A509-F513 PolarHBondContact O-N 3.43Å |
| 510 | F | 93.9 | Very high | 93.2 | Very high | 24 Ų | 24 | 59.2 Ų | 59.2 | 11% | 0.105 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 176.2 | 178.2 | -105.5 | 0 | 0 | 0 | 113 | P506 R507 H508 I512 F513 R514 L528 | P506-F510 WeakPolarHBondContact O-CB 3.44Å; P506-F510 PolarHBondContact O-N 3.35Å; R507-F510 PolarHBondContact O-N 2.92Å; H508-F510 VanDerWaalsContact C-N 3.3Å; H508-F510 PolarHBondContact O-N 3.21Å; F510-I512 VanDerWaalsContact C-N 3.32Å; F510-I512 PolarHBondContact O-N 2.93Å; F510-F513 HydrophobicContact CE2-CD1 4.47Å; F510-F513 PolarHBondContact O-N 2.95Å; F510-R514 WeakPolarHBondContact O-CB 3.46Å; F510-R514 PolarHBondContact O-N 3.49Å; F510-L528 HydrophobicContact CD1-CD2 4.02Å; F510-L528 HydrophobicContact CD2-CD1 4.25Å; F510-L528 HydrophobicContact CD2-CD2 4.33Å; F510-L528 HydrophobicContact CE1-CB 4.21Å; F510-L528 HydrophobicContact CE1-CD2 4.02Å; F510-L528 HydrophobicContact CE2-CD1 3.82Å; F510-L528 HydrophobicContact CE2-CD2 4.34Å; F510-L528 HydrophobicContact CE2-CG 4.5Å; F510-L528 HydrophobicContact CG-CD2 4.17Å; F510-L528 HydrophobicContact CZ-CB 3.99Å; F510-L528 HydrophobicContact CZ-CD1 4.08Å; F510-L528 HydrophobicContact CZ-CD2 4.19Å; F510-L528 HydrophobicContact CZ-CG 4.33Å |
| 511 | E | 93.4 | Very high | 93.3 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.1 | -33.3 | 177.9 | -76 | -62.9 | 138.1 | 0 | 0 | 112.6 | R507 H508 R514 R515 | R507-E511 PolarHBondContact O-N 3.16Å; H508-E511 PolarHBondContact O-N 3.34Å; E511-R514 PolarHBondContact O-N 2.82Å; E511-R514 IonicContact OE1-NH1 3.36Å; E511-R514 PolarHBondContact OE1-NH1 3.35Å; E511-R514 VanDerWaalsContact OE1-NH1 3.13Å; E511-R514 IonicContact OE2-NH1 3.84Å; E511-R515 WeakPolarHBondContact O-CG 3.42Å; E511-R515 PolarHBondContact O-N 2.91Å |
| 512 | I | 94.8 | Very high | 93.2 | Very high | 25 Ų | 25 | 62.6 Ų | 62.6 | 13% | 0.128 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 170.7 | -67 | 168.4 | 0 | 0 | 0 | 110.2 | F465 L469 V474 L476 H508 A509 F510 R514 R515 F516 | F465-I512 HydrophobicContact CE2-CG2 4.15Å; F465-I512 HydrophobicContact CZ-CG2 4.11Å; L469-I512 HydrophobicContact CD2-CG2 4.26Å; V474-I512 HydrophobicContact CG1-CD1 3.93Å; V474-I512 HydrophobicContact CG1-CG1 4.45Å; V474-I512 HydrophobicContact CG1-CG2 3.91Å; L476-I512 HydrophobicContact CD2-CB 4.18Å; L476-I512 HydrophobicContact CD2-CD1 3.87Å; L476-I512 HydrophobicContact CD2-CG2 4.04Å; H508-I512 PolarHBondContact O-N 3.05Å; H508-I512 VanDerWaalsContact O-N 3.12Å; A509-I512 PolarHBondContact O-N 3.2Å; F510-I512 VanDerWaalsContact C-N 3.32Å; F510-I512 PolarHBondContact O-N 2.93Å; I512-R514 VanDerWaalsContact C-N 3.32Å; I512-R514 PolarHBondContact O-N 3.46Å; I512-R515 PolarHBondContact O-N 3.37Å; I512-F516 PolarHBondContact O-N 3.44Å; I512-F516 VanDerWaalsContact O-N 3.11Å |
| 513 | F | 95.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 176 | 175.3 | -93.7 | 0 | 0 | 0 | 112.1 | M462 F465 L481 V483 V485 A509 F510 R515 F516 Y517 L526 | M462-F513 HydrophobicContact CE-CD2 4.22Å; M462-F513 HydrophobicContact CE-CE2 4.18Å; M462-F513 HydrophobicContact SD-CD2 3.99Å; M462-F513 HydrophobicContact SD-CE2 3.39Å; M462-F513 WeakPolarHBondContact SD-CE2 3.48Å; M462-F513 HydrophobicContact SD-CZ 4.06Å; F465-F513 HydrophobicContact CB-CD2 4.42Å; F465-F513 HydrophobicContact CB-CE2 4.46Å; F465-F513 AromaticContact CD1-CD2 3.93Å; F465-F513 HydrophobicContact CD1-CD2 3.93Å; F465-F513 AromaticContact CD2-CD2 3.96Å; F465-F513 HydrophobicContact CD2-CD2 3.96Å; F465-F513 HydrophobicContact CE1-CB 4.28Å; F465-F513 HydrophobicContact CE1-CD2 4.06Å; F465-F513 HydrophobicContact CE2-CB 4.14Å; F465-F513 HydrophobicContact CE2-CD2 4.13Å; F465-F513 AromaticContact CG-CD2 3.84Å; F465-F513 HydrophobicContact CG-CD2 3.84Å; F465-F513 HydrophobicContact CG-CE2 4.36Å; F465-F513 HydrophobicContact CZ-CB 3.84Å; F465-F513 HydrophobicContact CZ-CD2 4.15Å; L481-F513 HydrophobicContact CD2-CB 3.98Å; V483-F513 HydrophobicContact CB-CD1 4.04Å; V483-F513 HydrophobicContact CB-CD2 4.37Å; V483-F513 HydrophobicContact CB-CE1 3.77Å; V483-F513 HydrophobicContact CB-CE2 4.12Å; V483-F513 HydrophobicContact CB-CG 4.33Å; V483-F513 HydrophobicContact CB-CZ 3.81Å; V483-F513 HydrophobicContact CG1-CD1 3.95Å; V483-F513 HydrophobicContact CG1-CE1 3.49Å; V483-F513 VanDerWaalsContact CG1-CE1 3.49Å; V483-F513 HydrophobicContact CG1-CZ 3.91Å; V483-F513 HydrophobicContact CG2-CB 4.43Å; V483-F513 HydrophobicContact CG2-CD1 3.78Å; V483-F513 HydrophobicContact CG2-CD2 4.13Å; V483-F513 HydrophobicContact CG2-CE1 4.07Å; V483-F513 HydrophobicContact CG2-CE2 4.38Å; V483-F513 HydrophobicContact CG2-CG 3.82Å; V483-F513 HydrophobicContact CG2-CZ 4.35Å; V485-F513 HydrophobicContact CG2-CE1 3.99Å; V485-F513 HydrophobicContact CG2-CZ 3.87Å; A509-F513 PolarHBondContact O-N 3.43Å; F510-F513 HydrophobicContact CE2-CD1 4.47Å; F510-F513 PolarHBondContact O-N 2.95Å; F513-R515 PolarHBondContact O-N 3.35Å; F513-F516 HydrophobicContact CD2-CD1 4.43Å; F513-F516 HydrophobicContact CE2-CD1 4.4Å; F513-F516 WeakPolarHBondContact O-CB 3.32Å; F513-F516 PolarHBondContact O-N 2.87Å; F513-Y517 HydrophobicContact CZ-CD2 4.22Å; F513-Y517 WeakPolarHBondContact O-CB 3.37Å; F513-Y517 PolarHBondContact O-N 3.22Å; F513-L526 HydrophobicContact CE1-CD1 4.49Å |
| 514 | R | 94.5 | Very high | 93.1 | Very high | 80 Ų | 80 | 71.7 Ų | 71.7 | 30% | 0.302 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 179.8 | -176 | -177.1 | -175.4 | 178.8 | 1.5 | 111.6 | F510 E511 I512 Y517 L518 L526 | F510-R514 WeakPolarHBondContact O-CB 3.46Å; F510-R514 PolarHBondContact O-N 3.49Å; E511-R514 PolarHBondContact O-N 2.82Å; E511-R514 IonicContact OE1-NH1 3.36Å; E511-R514 PolarHBondContact OE1-NH1 3.35Å; E511-R514 VanDerWaalsContact OE1-NH1 3.13Å; E511-R514 IonicContact OE2-NH1 3.84Å; I512-R514 VanDerWaalsContact C-N 3.32Å; I512-R514 PolarHBondContact O-N 3.46Å; R514-Y517 PolarHBondContact O-N 3.41Å; R514-L518 HydrophobicContact CG-CD1 3.85Å; R514-L518 HydrophobicContact CG-CG 4.39Å; R514-L518 WeakPolarHBondContact O-CB 3.02Å; R514-L518 VanDerWaalsContact O-CG 3.28Å; R514-L518 WeakPolarHBondContact O-CG 3.27Å; R514-L518 PolarHBondContact O-N 3.33Å; R514-L526 HydrophobicContact CG-CD1 4.18Å |
| 515 | R | 93.7 | Very high | 93.1 | Very high | 185 Ų | 185 | 74.3 Ų | 74.3 | 70% | 0.698 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.5 | -46.2 | 176.6 | -72 | 174.6 | -175.5 | -176.1 | 0.5 | 111.6 | E511 I512 F513 Y517 L518 A519 | E511-R515 WeakPolarHBondContact O-CG 3.42Å; E511-R515 PolarHBondContact O-N 2.91Å; I512-R515 PolarHBondContact O-N 3.37Å; F513-R515 PolarHBondContact O-N 3.35Å; R515-Y517 PolarHBondContact O-N 2.94Å; R515-L518 PolarHBondContact O-N 3.17Å; R515-A519 WeakPolarHBondContact O-CB 3.41Å; R515-A519 PolarHBondContact O-N 2.81Å |
| 516 | F | 95.1 | Very high | 93.1 | Very high | 31 Ų | 31 | 73.2 Ų | 73.2 | 14% | 0.136 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.5 | -49.8 | 174.5 | 163.9 | -97.3 | 0 | 0 | 0 | 111.6 | T461 E464 F465 H468 I512 F513 A519 K520 | T461-F516 HydrophobicContact CG2-CE1 4.24Å; E464-F516 HydrophobicContact CB-CZ 4.15Å; F465-F516 HydrophobicContact CB-CD1 4.08Å; F465-F516 HydrophobicContact CB-CE1 3.69Å; F465-F516 HydrophobicContact CB-CZ 4.07Å; F465-F516 HydrophobicContact CD2-CB 3.94Å; F465-F516 AromaticContact CD2-CD1 3.5Å; F465-F516 HydrophobicContact CD2-CD1 3.5Å; F465-F516 VanDerWaalsContact CD2-CD1 3.5Å; F465-F516 HydrophobicContact CD2-CD2 4.15Å; F465-F516 AromaticContact CD2-CE1 4Å; F465-F516 HydrophobicContact CD2-CE1 4Å; F465-F516 AromaticContact CD2-CG 3.59Å; F465-F516 HydrophobicContact CD2-CG 3.59Å; F465-F516 HydrophobicContact CE2-CB 4.03Å; F465-F516 HydrophobicContact CE2-CD1 4.34Å; F465-F516 HydrophobicContact CE2-CG 4.19Å; F465-F516 HydrophobicContact CG-CD1 4.18Å; F465-F516 HydrophobicContact CG-CE1 4.3Å; H468-F516 HydrophobicContact CB-CD2 4.1Å; H468-F516 HydrophobicContact CB-CE2 3.83Å; H468-F516 AromaticContact CD2-CD2 3.74Å; H468-F516 AromaticContact CG-CD2 3.81Å; H468-F516 AromaticContact CG-CE2 3.96Å; I512-F516 PolarHBondContact O-N 3.44Å; I512-F516 VanDerWaalsContact O-N 3.11Å; F513-F516 HydrophobicContact CD2-CD1 4.43Å; F513-F516 HydrophobicContact CE2-CD1 4.4Å; F513-F516 WeakPolarHBondContact O-CB 3.32Å; F513-F516 PolarHBondContact O-N 2.87Å; F516-A519 PolarHBondContact O-N 3.41Å; F516-K520 PolarHBondContact O-N 2.7Å |
| 517 | Y | 95.4 | Very high | 93 | Very high | 10 Ų | 10 | 75.8 Ų | 75.8 | 4% | 0.039 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.8 | -46 | -177.8 | -173.4 | -89.1 | 0 | 0 | 0 | 112.4 | T461 V485 F513 R514 R515 A519 K520 H521 R524 L526 | T461-Y517 HydrophobicContact CG2-CD2 4.07Å; T461-Y517 HydrophobicContact CG2-CE2 4.31Å; V485-Y517 HydrophobicContact CB-CE2 4.24Å; V485-Y517 HydrophobicContact CG1-CE1 4.45Å; V485-Y517 HydrophobicContact CG1-CE2 4Å; V485-Y517 HydrophobicContact CG2-CD2 4.12Å; V485-Y517 HydrophobicContact CG2-CE2 3.88Å; F513-Y517 HydrophobicContact CZ-CD2 4.22Å; F513-Y517 WeakPolarHBondContact O-CB 3.37Å; F513-Y517 PolarHBondContact O-N 3.22Å; R514-Y517 PolarHBondContact O-N 3.41Å; R515-Y517 PolarHBondContact O-N 2.94Å; Y517-A519 VanDerWaalsContact C-N 3.34Å; Y517-A519 PolarHBondContact O-N 2.61Å; Y517-K520 PolarHBondContact O-N 2.92Å; Y517-H521 HydrophobicContact CD1-CB 4.37Å; Y517-H521 AromaticContact CD2-CD2 3.72Å; Y517-H521 HydrophobicContact CE1-CB 3.98Å; Y517-H521 AromaticContact CE1-CD2 3.79Å; Y517-H521 AromaticContact CE2-CD2 3.41Å; Y517-H521 VanDerWaalsContact CE2-CD2 3.41Å; Y517-H521 WeakPolarHBondContact CE2-CD2 3.24Å; Y517-H521 AromaticContact CE2-NE2 3.82Å; Y517-H521 AromaticContact CZ-CD2 3.44Å; Y517-H521 VanDerWaalsContact CZ-CD2 3.44Å; Y517-H521 WeakPolarHBondContact O-CB 3.4Å; Y517-H521 PolarHBondContact O-CD2 3.28Å; Y517-H521 PolarHBondContact O-N 3.08Å; Y517-R524 PolarHBondContact OH-NH1 2.66Å; Y517-L526 HydrophobicContact CD1-CD1 3.56Å; Y517-L526 HydrophobicContact CD1-CD2 3.91Å; Y517-L526 HydrophobicContact CD1-CG 3.86Å; Y517-L526 HydrophobicContact CE1-CD1 4.31Å; Y517-L526 HydrophobicContact CE1-CD2 3.78Å; Y517-L526 HydrophobicContact CE1-CG 4.18Å; Y517-L526 HydrophobicContact CG-CD1 3.89Å |
| 518 | L | 95 | Very high | 92.8 | Very high | 56 Ų | 56 | 71.7 Ų | 71.7 | 29% | 0.293 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.3 | -27.7 | -177.8 | -67.5 | 177.6 | 0 | 0 | 0 | 113 | R514 R515 K520 H521 R524 L526 | R514-L518 HydrophobicContact CG-CD1 3.85Å; R514-L518 HydrophobicContact CG-CG 4.39Å; R514-L518 WeakPolarHBondContact O-CB 3.02Å; R514-L518 VanDerWaalsContact O-CG 3.28Å; R514-L518 WeakPolarHBondContact O-CG 3.27Å; R514-L518 PolarHBondContact O-N 3.33Å; R515-L518 PolarHBondContact O-N 3.17Å; L518-K520 VanDerWaalsContact C-N 3.31Å; L518-H521 CarbonylContact O-C 3.49Å; L518-R524 HydrophobicContact CD2-CB 4.49Å; L518-R524 WeakPolarHBondContact CD2-O 3.44Å; L518-L526 HydrophobicContact CD2-CG 4.49Å |
| 519 | A | 92.9 | Very high | 92.6 | Very high | 90 Ų | 90 | 68.5 Ų | 68.5 | 74% | 0.744 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.9 | -36.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | R515 F516 Y517 | R515-A519 WeakPolarHBondContact O-CB 3.41Å; R515-A519 PolarHBondContact O-N 2.81Å; F516-A519 PolarHBondContact O-N 3.41Å; Y517-A519 VanDerWaalsContact C-N 3.34Å; Y517-A519 PolarHBondContact O-N 2.61Å |
| 520 | K | 92.1 | Very high | 92.3 | Very high | 109 Ų | 109 | 69.7 Ų | 69.7 | 47% | 0.474 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -83.9 | -27 | 178 | -169.9 | 170.3 | 179.8 | 172.9 | 0 | 113.3 | E464 F516 Y517 L518 | E464-K520 IonicContact OE1-NZ 2.97Å; E464-K520 PolarHBondContact OE1-NZ 3.48Å; E464-K520 IonicContact OE2-NZ 3.65Å; E464-K520 PolarHBondContact OE2-NZ 3.35Å; F516-K520 PolarHBondContact O-N 2.7Å; Y517-K520 PolarHBondContact O-N 2.92Å; L518-K520 VanDerWaalsContact C-N 3.31Å |
| 521 | H | 92.2 | Very high | 91.7 | Very high | 44 Ų | 44 | 71.1 Ų | 71.1 | 20% | 0.204 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -124.4 | 78 | -175.6 | -59.8 | -67 | 0 | 0 | 0 | 111.9 | Y517 L518 R524 | Y517-H521 HydrophobicContact CD1-CB 4.37Å; Y517-H521 AromaticContact CD2-CD2 3.72Å; Y517-H521 HydrophobicContact CE1-CB 3.98Å; Y517-H521 AromaticContact CE1-CD2 3.79Å; Y517-H521 AromaticContact CE2-CD2 3.41Å; Y517-H521 VanDerWaalsContact CE2-CD2 3.41Å; Y517-H521 WeakPolarHBondContact CE2-CD2 3.24Å; Y517-H521 AromaticContact CE2-NE2 3.82Å; Y517-H521 AromaticContact CZ-CD2 3.44Å; Y517-H521 VanDerWaalsContact CZ-CD2 3.44Å; Y517-H521 WeakPolarHBondContact O-CB 3.4Å; Y517-H521 PolarHBondContact O-CD2 3.28Å; Y517-H521 PolarHBondContact O-N 3.08Å; L518-H521 CarbonylContact O-C 3.49Å; H521-R524 HydrophobicContact CB-CG 4.18Å |
| 522 | S | 90.8 | Very high | 91.2 | Very high | 114 Ų | 114 | 71.3 Ų | 71.3 | 80% | 0.797 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 144.6 | 177.1 | 57.5 | 0 | 0 | 0 | 0 | 112.1 | R524 | S522-R524 VanDerWaalsContact C-N 3.31Å; S522-R524 PolarHBondContact O-N 3.43Å |
| 523 | G | 89.9 | Confident | 90.8 | Very high | 92 Ų | 92 | 71.5 Ų | 71.5 | 95% | 0.948 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 5.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 524 | R | 93.1 | Very high | 90.6 | Very high | 142 Ų | 142 | 76.4 Ų | 76.4 | 54% | 0.536 | 42% | 0.419 | S | S | . | . | trans | -97.5 | 155.2 | 175.3 | -60.8 | -164.4 | -177 | -176.1 | -4.4 | 112.4 | Y517 L518 H521 S522 | Y517-R524 PolarHBondContact OH-NH1 2.66Å; L518-R524 HydrophobicContact CD2-CB 4.49Å; L518-R524 WeakPolarHBondContact CD2-O 3.44Å; H521-R524 HydrophobicContact CB-CG 4.18Å; S522-R524 VanDerWaalsContact C-N 3.31Å; S522-R524 PolarHBondContact O-N 3.43Å | ||
| 525 | Q | 90.7 | Very high | 90.5 | Very high | 164 Ų | 164 | 73.6 Ų | 73.6 | 77% | 0.766 | 41% | 0.413 | S | S | * | . | trans | -119.3 | 135.4 | 169.3 | -173.5 | 178.3 | 12 | 0 | 0 | 109.5 | ||||
| 526 | L | 91.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 68.6 Ų | 68.6 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | trans | -102.8 | 129.3 | 173.1 | -70.4 | 179.9 | 0 | 0 | 0 | 110.2 | V485 F513 R514 Y517 L518 | V485-L526 HydrophobicContact CG1-CD2 3.87Å; F513-L526 HydrophobicContact CE1-CD1 4.49Å; R514-L526 HydrophobicContact CG-CD1 4.18Å; Y517-L526 HydrophobicContact CD1-CD1 3.56Å; Y517-L526 HydrophobicContact CD1-CD2 3.91Å; Y517-L526 HydrophobicContact CD1-CG 3.86Å; Y517-L526 HydrophobicContact CE1-CD1 4.31Å; Y517-L526 HydrophobicContact CE1-CD2 3.78Å; Y517-L526 HydrophobicContact CE1-CG 4.18Å; Y517-L526 HydrophobicContact CG-CD1 3.89Å; L518-L526 HydrophobicContact CD2-CG 4.49Å | ||
| 527 | T | 89.4 | Confident | 90.5 | Very high | 86 Ų | 86 | 68.6 Ų | 68.6 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | trans | -120.5 | 119.1 | 174.1 | -57.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 528 | L | 88.9 | Confident | 90.5 | Very high | 58 Ų | 58 | 75 Ų | 75 | 30% | 0.304 | 44% | 0.436 | S | S | . | . | trans | -79.5 | 130.4 | -177.5 | -173.3 | 57.8 | 0 | 0 | 0 | 111.1 | T497 I502 F510 | T497-L528 VanDerWaalsContact CG2-O 3.23Å; T497-L528 WeakPolarHBondContact CG2-O 3.48Å; I502-L528 HydrophobicContact CD1-CD2 3.28Å; I502-L528 HydrophobicContact CD1-CG 4.47Å; F510-L528 HydrophobicContact CD1-CD2 4.02Å; F510-L528 HydrophobicContact CD2-CD1 4.25Å; F510-L528 HydrophobicContact CD2-CD2 4.33Å; F510-L528 HydrophobicContact CE1-CB 4.21Å; F510-L528 HydrophobicContact CE1-CD2 4.02Å; F510-L528 HydrophobicContact CE2-CD1 3.82Å; F510-L528 HydrophobicContact CE2-CD2 4.34Å; F510-L528 HydrophobicContact CE2-CG 4.5Å; F510-L528 HydrophobicContact CG-CD2 4.17Å; F510-L528 HydrophobicContact CZ-CB 3.99Å; F510-L528 HydrophobicContact CZ-CD1 4.08Å; F510-L528 HydrophobicContact CZ-CD2 4.19Å; F510-L528 HydrophobicContact CZ-CG 4.33Å | ||
| 529 | Q | 88.3 | Confident | 90.4 | Very high | 43 Ų | 43 | 73.1 Ų | 73.1 | 20% | 0.201 | 43% | 0.429 | C | S | . | . | trans | -100.8 | 87.9 | -179 | -65.6 | -62.7 | -22.9 | 0 | 0 | 111.2 | T497 H531 M532 | T497-Q529 PolarHBondContact OG1-NE2 3.5Å; T497-Q529 PolarHBondContact OG1-OE1 2.98Å; Q529-H531 VanDerWaalsContact C-N 3.32Å; Q529-H531 PolarHBondContact O-N 2.87Å; Q529-H531 PolarHBondContact OE1-CE1 2.83Å; Q529-M532 HydrophobicContact CB-CB 4.32Å; Q529-M532 HydrophobicContact CB-CG 4.17Å; Q529-M532 HydrophobicContact CB-SD 3.85Å; Q529-M532 HydrophobicContact CG-SD 4.2Å; Q529-M532 PolarHBondContact O-N 2.92Å; Q529-M532 VanDerWaalsContact O-N 3.13Å | ||
| 530 | H | 87.1 | Confident | 90.3 | Very high | 26 Ų | 26 | 71.5 Ų | 71.5 | 12% | 0.12 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -54.7 | -42.9 | -173.8 | -54.6 | 107.3 | 0 | 0 | 0 | 113.8 | P498 C500 M532 G533 T574 F575 | P498-H530 PolarHBondContact O-ND1 3.25Å; C500-H530 HydrophobicContact CB-CB 3.87Å; C500-H530 VanDerWaalsContact CB-CG 3.5Å; H530-M532 PolarHBondContact O-N 3.46Å; H530-M532 VanDerWaalsContact O-N 3.16Å; H530-G533 PolarHBondContact O-N 3.38Å; H530-T574 HydrophobicContact CB-CG2 4.45Å; H530-T574 WeakPolarHBondContact O-CB 3.39Å; H530-T574 PolarHBondContact O-OG1 3.04Å; H530-F575 HydrophobicContact CB-CE1 3.72Å; H530-F575 HydrophobicContact CB-CZ 4.29Å |
| 531 | H | 81.6 | Confident | 90.2 | Very high | 54 Ų | 54 | 66.5 Ų | 66.5 | 25% | 0.25 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -67.9 | -13.4 | -176.9 | 68.6 | -76.2 | 0 | 0 | 0 | 114.7 | P498 Q529 F575 | P498-H531 HydrophobicContact CG-CB 4.32Å; Q529-H531 VanDerWaalsContact C-N 3.32Å; Q529-H531 PolarHBondContact O-N 2.87Å; Q529-H531 PolarHBondContact OE1-CE1 2.83Å; H531-F575 HydrophobicContact CB-CE2 3.79Å; H531-F575 HydrophobicContact CB-CZ 3.81Å |
| 532 | M | 82.9 | Confident | 89.7 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 30% | 0.3 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -101 | -3.9 | -176.6 | -58.7 | 177.5 | 67.9 | 0 | 0 | 113.1 | L419 L486 Q529 H530 | L419-M532 HydrophobicContact CD1-CE 3.14Å; L486-M532 HydrophobicContact CD1-CE 4.34Å; Q529-M532 HydrophobicContact CB-CB 4.32Å; Q529-M532 HydrophobicContact CB-CG 4.17Å; Q529-M532 HydrophobicContact CB-SD 3.85Å; Q529-M532 HydrophobicContact CG-SD 4.2Å; Q529-M532 PolarHBondContact O-N 2.92Å; Q529-M532 VanDerWaalsContact O-N 3.13Å; H530-M532 PolarHBondContact O-N 3.46Å; H530-M532 VanDerWaalsContact O-N 3.16Å |
| 533 | G | 87.4 | Confident | 88.7 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | trans | -92.2 | 164.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | H530 T574 | H530-G533 PolarHBondContact O-N 3.38Å; G533-T574 VanDerWaalsContact CA-OG1 3.26Å; G533-T574 WeakPolarHBondContact CA-OG1 3.35Å; G533-T574 PolarHBondContact O-N 3.41Å; G533-T574 PolarHBondContact O-OG1 2.97Å | ||
| 534 | S | 90.3 | Very high | 87.3 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 73% | 0.727 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 155.9 | 173 | 58.3 | 0 | 0 | 0 | 0 | 110.6 | V572 | S534-V572 CarbonylContact C-O 3.58Å; S534-V572 WeakPolarHBondContact CA-O 3.24Å; S534-V572 WeakPolarHBondContact CB-O 3.18Å |
| 535 | A | 93.2 | Very high | 85.5 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 17% | 0.165 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 149.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V572 M577 | A535-V572 HydrophobicContact CB-CG2 4.45Å; A535-V572 PolarHBondContact N-O 3.3Å; A535-V572 WeakPolarHBondContact O-CG2 3.33Å; A535-V572 PolarHBondContact O-N 3.05Å; A535-M577 HydrophobicContact CB-CB 4.15Å; A535-M577 HydrophobicContact CB-CG 4.19Å; A535-M577 HydrophobicContact CB-SD 3.5Å; A535-M577 WeakPolarHBondContact CB-SD 3.45Å |
| 536 | D | 94.5 | Very high | 83.5 | Confident | 81 Ų | 81 | 64.9 Ų | 64.9 | 43% | 0.433 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.5 | 169.5 | -78.3 | 2.1 | 0 | 0 | 0 | 108.1 | I569 L570 Q571 | D536-I569 HydrophobicContact CB-CG2 3.96Å; D536-L570 CarbonylContact C-O 3.39Å; D536-L570 WeakPolarHBondContact CA-O 3.46Å; D536-Q571 WeakPolarHBondContact OD1-CB 3.4Å; D536-Q571 WeakPolarHBondContact OD1-CG 3.5Å; D536-Q571 PolarHBondContact OD1-NE2 3.25Å; D536-Q571 VanDerWaalsContact OD1-NE2 3.12Å; D536-Q571 PolarHBondContact OD2-NE2 3.44Å |
| 537 | L | 94.6 | Very high | 81.4 | Confident | 31 Ų | 31 | 70.2 Ų | 70.2 | 16% | 0.162 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.3 | -177.2 | -59.8 | 178.8 | 0 | 0 | 0 | 111.2 | A539 I569 L570 V572 M577 L580 | L537-A539 PolarHBondContact O-N 3.22Å; L537-I569 CarbonylContact O-C 3.6Å; L537-I569 WeakPolarHBondContact O-CA 3.37Å; L537-L570 HydrophobicContact CB-CB 4.44Å; L537-L570 PolarHBondContact N-O 3.4Å; L537-L570 PolarHBondContact O-N 3.06Å; L537-V572 HydrophobicContact CD1-CG2 3.81Å; L537-V572 HydrophobicContact CG-CG2 4.05Å; L537-M577 HydrophobicContact CD1-CB 4.15Å; L537-M577 HydrophobicContact CD1-CG 4.08Å; L537-M577 HydrophobicContact CD2-CG 3.95Å; L537-M577 HydrophobicContact CD2-SD 4.44Å; L537-M577 HydrophobicContact CG-CG 4.45Å; L537-L580 HydrophobicContact CD1-CB 4.3Å; L537-L580 HydrophobicContact CD1-CD1 4.09Å |
| 538 | N | 93.9 | Very high | 79.7 | Confident | 144 Ų | 144 | 76.3 Ų | 76.3 | 77% | 0.77 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 106.4 | 168.6 | -68.3 | -39.9 | 0 | 0 | 0 | 108.8 | ||
| 539 | A | 92.9 | Very high | 77.9 | Confident | 17 Ų | 17 | 79.9 Ų | 79.9 | 14% | 0.14 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L537 F541 K567 H568 L570 | L537-A539 PolarHBondContact O-N 3.22Å; A539-F541 HydrophobicContact CB-CD2 4.48Å; A539-F541 HydrophobicContact CB-CE2 3.68Å; A539-F541 HydrophobicContact CB-CZ 4.06Å; A539-K567 WeakPolarHBondContact O-CA 3.13Å; A539-H568 PolarHBondContact N-O 2.74Å; A539-H568 PolarHBondContact O-N 3.49Å; A539-L570 HydrophobicContact CB-CD1 3.61Å; A539-L570 HydrophobicContact CB-CG 3.76Å |
| 540 | T | 91.6 | Very high | 76.1 | Confident | 55 Ų | 55 | 81.3 Ų | 81.3 | 34% | 0.337 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.5 | 173.7 | -57.1 | 0 | 0 | 0 | 0 | 108.5 | Y542 T565 R566 K567 | T540-Y542 HydrophobicContact CG2-CE1 4.01Å; T540-Y542 HydrophobicContact CG2-CE2 4.15Å; T540-T565 HydrophobicContact CG2-CG2 3.3Å; T540-R566 WeakPolarHBondContact CA-O 3.5Å; T540-K567 HydrophobicContact CG2-CG 4.44Å |
| 541 | F | 88.9 | Confident | 74.3 | Confident | 5 Ų | 5 | 82.7 Ų | 82.7 | 2% | 0.022 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 137 | 176.4 | -59.2 | -89.2 | 0 | 0 | 0 | 108.9 | A539 T565 R566 L570 V621 V639 F643 | A539-F541 HydrophobicContact CB-CD2 4.48Å; A539-F541 HydrophobicContact CB-CE2 3.68Å; A539-F541 HydrophobicContact CB-CZ 4.06Å; F541-T565 CarbonylContact O-C 3.6Å; F541-T565 WeakPolarHBondContact O-CA 3.32Å; F541-R566 HydrophobicContact CB-CB 4.47Å; F541-R566 PolarHBondContact N-O 2.9Å; F541-R566 PolarHBondContact O-N 3.26Å; F541-L570 HydrophobicContact CZ-CD1 4.48Å; F541-V621 HydrophobicContact CE1-CG1 4.02Å; F541-V621 HydrophobicContact CZ-CG1 3.86Å; F541-V639 HydrophobicContact CD1-CG1 4.2Å; F541-V639 HydrophobicContact CE1-CG1 4.15Å; F541-F643 HydrophobicContact CD1-CB 4.22Å; F541-F643 HydrophobicContact CD2-CD1 4.18Å; F541-F643 HydrophobicContact CE1-CB 4.05Å; F541-F643 HydrophobicContact CE1-CD1 4.27Å; F541-F643 HydrophobicContact CE1-CG 4.43Å; F541-F643 AromaticContact CE2-CD1 3.67Å; F541-F643 HydrophobicContact CE2-CD1 3.67Å; F541-F643 HydrophobicContact CE2-CE1 4.24Å; F541-F643 HydrophobicContact CZ-CB 4.34Å; F541-F643 AromaticContact CZ-CD1 3.71Å; F541-F643 HydrophobicContact CZ-CD1 3.71Å; F541-F643 HydrophobicContact CZ-CE1 4.41Å; F541-F643 HydrophobicContact CZ-CG 4.24Å |
| 542 | Y | 83.3 | Confident | 72.6 | Confident | 127 Ų | 127 | 88.7 Ų | 88.7 | 50% | 0.498 | 49% | 0.488 | S | S | . | . | trans | -98.7 | -6.3 | -169.7 | -64.7 | -85 | 0 | 0 | 0 | 113.6 | T540 V560 T565 D641 | T540-Y542 HydrophobicContact CG2-CE1 4.01Å; T540-Y542 HydrophobicContact CG2-CE2 4.15Å; Y542-V560 HydrophobicContact CD1-CG2 4.3Å; Y542-T565 HydrophobicContact CD1-CG2 4.38Å; Y542-T565 HydrophobicContact CE1-CG2 4.43Å; Y542-D641 PolarHBondContact N-OD1 3.47Å | ||
| 543 | G | 68.6 | Low | 70.8 | Confident | 5 Ų | 5 | 91.3 Ų | 91.3 | 5% | 0.052 | 51% | 0.507 | C | S | . | . | trans | 69.8 | 176.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V545 D641 | G543-V545 PolarHBondContact O-N 3.29Å; G543-D641 WeakPolarHBondContact CA-O 3.42Å | ||
| 544 | P | 60.4 | Low | 68.8 | Low | 68 Ų | 68 | 93 Ų | 93 | 44% | 0.442 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 129.9 | 178.2 | 25.8 | -31.4 | 0 | 0 | 0 | 111.1 | K546 | P544-K546 PolarHBondContact O-N 2.93Š|
| 545 | V | 55.3 | Low | 66.9 | Low | 125 Ų | 125 | 92.9 Ų | 92.9 | 76% | 0.758 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -71 | 118.5 | 172.8 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | G543 | G543-V545 PolarHBondContact O-N 3.29Š|
| 546 | K | 48.9 | Very low | 64.2 | Low | 196 Ų | 196 | 94.9 Ų | 94.9 | 85% | 0.852 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -93.3 | 127.1 | 171 | -72.6 | -173.8 | 174.9 | -174.1 | 0 | 109.6 | P544 | P544-K546 PolarHBondContact O-N 2.93Š|
| 547 | K | 47.8 | Very low | 62 | Low | 139 Ų | 139 | 95.3 Ų | 95.3 | 60% | 0.604 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 156.8 | 164 | -75.9 | -174.1 | 177.2 | 178.9 | 0 | 110.6 | D549 G550 | K547-D549 PolarHBondContact O-N 3.17Å; K547-D549 VanDerWaalsContact O-N 3.08Å; K547-G550 PolarHBondContact O-N 3.41Å |
| 548 | E | 52.3 | Low | 59.3 | Low | 215 Ų | 215 | 97.8 Ų | 97.8 | 100% | 1.005 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -5.6 | 179.8 | -73.8 | -176.7 | 152.4 | 0 | 0 | 115.3 | ||
| 549 | D | 52.6 | Low | 57 | Low | 132 Ų | 132 | 100 Ų | 100 | 71% | 0.706 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 2.8 | 178.8 | 172.6 | 46 | 0 | 0 | 0 | 113.6 | K547 S551 | K547-D549 PolarHBondContact O-N 3.17Å; K547-D549 VanDerWaalsContact O-N 3.08Å; D549-S551 PolarHBondContact O-N 3.09Å; D549-S551 VanDerWaalsContact O-N 3.08Å; D549-S551 PolarHBondContact OD2-OG 3.33Å |
| 550 | G | 50.5 | Low | 54.6 | Low | 73 Ų | 73 | 103.5 Ų | 103.5 | 75% | 0.753 | 62% | 0.616 | S | S | * | * | trans | 69.8 | 6.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116 | K547 | K547-G550 PolarHBondContact O-N 3.41Š| ||
| 551 | S | 49.2 | Very low | 52.3 | Low | 56 Ų | 56 | 107.2 Ų | 107.2 | 39% | 0.392 | 64% | 0.639 | S | S | . | * | trans | -91.3 | 129.3 | 170 | 51.1 | 0 | 0 | 0 | 0 | 111.7 | D549 | D549-S551 PolarHBondContact O-N 3.09Å; D549-S551 VanDerWaalsContact O-N 3.08Å; D549-S551 PolarHBondContact OD2-OG 3.33Å | ||
| 552 | E | 45.8 | Very low | 50.4 | Low | 179 Ų | 179 | 110.3 Ų | 110.3 | 84% | 0.836 | 67% | 0.672 | S | S | * | * | trans | -83.6 | 117.1 | 175.6 | -67.5 | -172.8 | 165 | 0 | 0 | 110.4 | ||||
| 553 | V | 45.5 | Very low | 49 | Very low | 116 Ų | 116 | 109.7 Ų | 109.7 | 70% | 0.703 | 69% | 0.686 | S | S | * | * | trans | -142 | 139.8 | 163.8 | -162.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 554 | G | 45.1 | Very low | 48.8 | Very low | 64 Ų | 64 | 113.3 Ų | 113.3 | 66% | 0.66 | 71% | 0.705 | S | S | * | * | trans | -64.8 | 157.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 555 | V | 49.9 | Very low | 49.5 | Very low | 102 Ų | 102 | 113.1 Ų | 113.1 | 62% | 0.618 | 70% | 0.702 | S | S | * | * | trans | 43.8 | 111.4 | 156 | -161.1 | 0 | 0 | 0 | 0 | 117.6 | E587 | V555-E587 WeakPolarHBondContact CG1-OE2 3.37Š| ||
| 556 | G | 36.3 | Very low | 50.9 | Low | 62 Ų | 62 | 110.5 Ų | 110.5 | 64% | 0.639 | 68% | 0.679 | S | S | * | * | trans | 170.8 | 121.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | A558 | G556-A558 PolarHBondContact O-N 2.99Š| ||
| 557 | G | 47.7 | Very low | 52.9 | Low | 91 Ų | 91 | 107.9 Ų | 107.9 | 94% | 0.938 | 67% | 0.667 | S | S | * | * | trans | -44.8 | 118.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 558 | A | 39.5 | Very low | 55 | Low | 83 Ų | 83 | 102 Ų | 102 | 69% | 0.686 | 64% | 0.642 | S | S | * | * | trans | -154 | 148.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | G556 V560 | G556-A558 PolarHBondContact O-N 2.99Å; A558-V560 PolarHBondContact O-N 3.33Å | ||
| 559 | Q | 43.8 | Very low | 57 | Low | 191 Ų | 191 | 93.1 Ų | 93.1 | 89% | 0.893 | 60% | 0.601 | S | S | * | * | trans | -54.3 | 125.9 | -173.7 | -76 | 171.7 | -39.2 | 0 | 0 | 112.7 | T561 | Q559-T561 PolarHBondContact O-N 3.02Å; Q559-T561 VanDerWaalsContact O-N 3.08Å | ||
| 560 | V | 44.3 | Very low | 59 | Low | 89 Ų | 89 | 87 Ų | 87 | 54% | 0.539 | 57% | 0.568 | S | S | . | * | trans | -69.6 | 98.7 | 173.1 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | Y542 A558 G562 | Y542-V560 HydrophobicContact CD1-CG2 4.3Å; A558-V560 PolarHBondContact O-N 3.33Å; V560-G562 PolarHBondContact O-N 3.49Å | ||
| 561 | T | 42.3 | Very low | 61 | Low | 133 Ų | 133 | 86.1 Ų | 86.1 | 82% | 0.816 | 54% | 0.544 | S | S | * | . | trans | -72.1 | 118.5 | 163.4 | 47.8 | 0 | 0 | 0 | 0 | 107.8 | Q559 S563 | Q559-T561 PolarHBondContact O-N 3.02Å; Q559-T561 VanDerWaalsContact O-N 3.08Å; T561-S563 PolarHBondContact O-N 3.42Å | ||
| 562 | G | 49.5 | Very low | 63.1 | Low | 71 Ų | 71 | 83.7 Ų | 83.7 | 73% | 0.732 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -61.1 | 127.8 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V560 | V560-G562 PolarHBondContact O-N 3.49Š|
| 563 | S | 53.6 | Low | 65.3 | Low | 113 Ų | 113 | 76.2 Ų | 76.2 | 79% | 0.79 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -170.3 | -12.4 | 148.5 | -177.1 | 0 | 0 | 0 | 0 | 114.5 | T561 | T561-S563 PolarHBondContact O-N 3.42Š|
| 564 | N | 65.1 | Low | 67.5 | Low | 82 Ų | 82 | 71.6 Ų | 71.6 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | trans | -126.7 | 18.2 | -171.3 | -110.3 | -10.9 | 0 | 0 | 0 | 116.2 | R566 | N564-R566 PolarHBondContact O-N 2.89Š| ||
| 565 | T | 75.4 | Confident | 69.8 | Low | 63 Ų | 63 | 69 Ų | 69 | 39% | 0.387 | 44% | 0.437 | S | S | . | . | trans | -69.8 | 119.3 | 174.4 | -49.2 | 0 | 0 | 0 | 0 | 110.7 | T540 F541 Y542 | T540-T565 HydrophobicContact CG2-CG2 3.3Å; F541-T565 CarbonylContact O-C 3.6Å; F541-T565 WeakPolarHBondContact O-CA 3.32Å; Y542-T565 HydrophobicContact CD1-CG2 4.38Å; Y542-T565 HydrophobicContact CE1-CG2 4.43Å | ||
| 566 | R | 84.5 | Confident | 71.9 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 27% | 0.268 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.8 | 179.1 | -62.4 | 170.8 | -169 | 154.9 | 3 | 109.9 | T540 F541 N564 F643 | T540-R566 WeakPolarHBondContact CA-O 3.5Å; F541-R566 HydrophobicContact CB-CB 4.47Å; F541-R566 PolarHBondContact N-O 2.9Å; F541-R566 PolarHBondContact O-N 3.26Å; N564-R566 PolarHBondContact O-N 2.89Å; R566-F643 PolarHBondContact NH1-O 3.3Å |
| 567 | K | 89.8 | Confident | 74.7 | Confident | 140 Ų | 140 | 62 Ų | 62 | 61% | 0.609 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133.4 | 178.9 | -64.1 | -176.3 | 179.9 | -178.5 | 0 | 110.2 | A539 T540 H648 | A539-K567 WeakPolarHBondContact O-CA 3.13Å; T540-K567 HydrophobicContact CG2-CG 4.44Å; K567-H648 PolarHBondContact O-CD2 2.88Å |
| 568 | H | 92.4 | Very high | 76.9 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 152 | 176.8 | -69.1 | -73 | 0 | 0 | 0 | 110.6 | A539 L570 F643 L647 H648 V650 | A539-H568 PolarHBondContact N-O 2.74Å; A539-H568 PolarHBondContact O-N 3.49Å; H568-L570 HydrophobicContact CB-CD2 4.25Å; H568-F643 AromaticContact CD2-CE1 3.8Å; H568-L647 PolarHBondContact ND1-O 2.83Å; H568-H648 CarbonylContact C-O 3.56Å; H568-H648 VanDerWaalsContact CA-O 3.32Å; H568-H648 WeakPolarHBondContact CA-O 3.49Å; H568-H648 PolarHBondContact ND1-O 3.45Å; H568-V650 HydrophobicContact CB-CG2 4.47Å |
| 569 | I | 94.4 | Very high | 79.6 | Confident | 28 Ų | 28 | 53.9 Ų | 53.9 | 14% | 0.144 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 111.2 | 165.7 | -59.3 | 176.1 | 0 | 0 | 0 | 107.6 | D536 L537 H648 R649 V650 | D536-I569 HydrophobicContact CB-CG2 3.96Å; L537-I569 CarbonylContact O-C 3.6Å; L537-I569 WeakPolarHBondContact O-CA 3.37Å; I569-H648 PolarHBondContact N-O 3.15Å; I569-R649 HydrophobicContact CB-CB 4.36Å; I569-R649 HydrophobicContact CB-CG 4.18Å; I569-R649 HydrophobicContact CG2-CG 4.19Å; I569-R649 CarbonylContact O-C 3.55Å; I569-R649 WeakPolarHBondContact O-CA 3.48Å; I569-V650 PolarHBondContact O-N 2.78Å |
| 570 | L | 94.4 | Very high | 82.1 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 117.3 | 178.2 | -55.9 | -178.8 | 0 | 0 | 0 | 109.8 | D536 L537 A539 F541 H568 V572 L580 V621 F643 V650 | D536-L570 CarbonylContact C-O 3.39Å; D536-L570 WeakPolarHBondContact CA-O 3.46Å; L537-L570 HydrophobicContact CB-CB 4.44Å; L537-L570 PolarHBondContact N-O 3.4Å; L537-L570 PolarHBondContact O-N 3.06Å; A539-L570 HydrophobicContact CB-CD1 3.61Å; A539-L570 HydrophobicContact CB-CG 3.76Å; F541-L570 HydrophobicContact CZ-CD1 4.48Å; H568-L570 HydrophobicContact CB-CD2 4.25Å; L570-V572 HydrophobicContact CB-CG1 4.12Å; L570-L580 HydrophobicContact CD1-CD1 4.21Å; L570-V621 HydrophobicContact CD1-CG1 3.96Å; L570-V621 HydrophobicContact CD1-CG2 4.03Å; L570-V621 HydrophobicContact CD2-CG2 4.26Å; L570-F643 HydrophobicContact CD2-CE1 4.49Å; L570-V650 WeakPolarHBondContact CA-O 3.48Å; L570-V650 HydrophobicContact CD2-CB 4.11Å |
| 571 | Q | 92.6 | Very high | 84.4 | Confident | 55 Ų | 55 | 44.8 Ų | 44.8 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 113.9 | 170.8 | -44 | -162 | -71.5 | 0 | 0 | 109 | D536 R649 V650 K651 I652 | D536-Q571 WeakPolarHBondContact OD1-CB 3.4Å; D536-Q571 WeakPolarHBondContact OD1-CG 3.5Å; D536-Q571 PolarHBondContact OD1-NE2 3.25Å; D536-Q571 VanDerWaalsContact OD1-NE2 3.12Å; D536-Q571 PolarHBondContact OD2-NE2 3.44Å; Q571-R649 HydrophobicContact CG-CG 3.76Å; Q571-V650 PolarHBondContact N-O 2.75Å; Q571-K651 HydrophobicContact CB-CB 4.44Å; Q571-K651 HydrophobicContact CB-CG 4.4Å; Q571-I652 PolarHBondContact O-N 3.26Å |
| 572 | V | 92.9 | Very high | 86.9 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 160.6 | -169.8 | -66.9 | 0 | 0 | 0 | 0 | 111.2 | S534 A535 L537 L570 Q576 M577 L580 I652 | S534-V572 CarbonylContact C-O 3.58Å; S534-V572 WeakPolarHBondContact CA-O 3.24Å; S534-V572 WeakPolarHBondContact CB-O 3.18Å; A535-V572 HydrophobicContact CB-CG2 4.45Å; A535-V572 PolarHBondContact N-O 3.3Å; A535-V572 WeakPolarHBondContact O-CG2 3.33Å; A535-V572 PolarHBondContact O-N 3.05Å; L537-V572 HydrophobicContact CD1-CG2 3.81Å; L537-V572 HydrophobicContact CG-CG2 4.05Å; L570-V572 HydrophobicContact CB-CG1 4.12Å; V572-Q576 HydrophobicContact CB-CB 3.76Å; V572-Q576 HydrophobicContact CG1-CB 4.22Å; V572-Q576 HydrophobicContact CG2-CB 4.49Å; V572-M577 HydrophobicContact CG2-CB 3.95Å; V572-L580 HydrophobicContact CG1-CD1 4.08Å; V572-I652 HydrophobicContact CG1-CB 4.05Å; V572-I652 HydrophobicContact CG1-CG1 3.92Å |
| 573 | S | 91.8 | Very high | 89.1 | Confident | 23 Ų | 23 | 37 Ų | 37 | 16% | 0.161 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 162.6 | 165.7 | 61.8 | 0 | 0 | 0 | 0 | 111.3 | F575 Q576 M577 | S573-F575 VanDerWaalsContact C-N 3.28Å; S573-F575 PolarHBondContact O-N 3.41Å; S573-Q576 PolarHBondContact O-N 3.22Å; S573-Q576 WeakPolarHBondContact OG-CB 3.43Å; S573-Q576 VanDerWaalsContact OG-CD 3.27Å; S573-Q576 VanDerWaalsContact OG-CG 3.28Å; S573-Q576 WeakPolarHBondContact OG-CG 3.49Å; S573-Q576 PolarHBondContact OG-N 3.18Å; S573-Q576 PolarHBondContact OG-OE1 2.97Å; S573-M577 PolarHBondContact O-N 3.21Å |
| 574 | T | 91.7 | Very high | 90.9 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 11% | 0.11 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.9 | -37.9 | 176.5 | -58.1 | 0 | 0 | 0 | 0 | 113.1 | H530 G533 M577 T578 | H530-T574 HydrophobicContact CB-CG2 4.45Å; H530-T574 WeakPolarHBondContact O-CB 3.39Å; H530-T574 PolarHBondContact O-OG1 3.04Å; G533-T574 VanDerWaalsContact CA-OG1 3.26Å; G533-T574 WeakPolarHBondContact CA-OG1 3.35Å; G533-T574 PolarHBondContact O-N 3.41Å; G533-T574 PolarHBondContact O-OG1 2.97Å; T574-M577 HydrophobicContact CG2-CE 4.17Å; T574-M577 PolarHBondContact O-N 3.13Å; T574-T578 WeakPolarHBondContact O-CB 3.29Å; T574-T578 PolarHBondContact O-N 2.78Å; T574-T578 PolarHBondContact O-OG1 3.47Å |
| 575 | F | 93.1 | Very high | 92.2 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 4% | 0.039 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.1 | -47.5 | 175.8 | -65.8 | -31.1 | 0 | 0 | 0 | 111.8 | P498 C500 H530 H531 S573 M577 T578 I579 I600 E604 A608 | P498-F575 HydrophobicContact CB-CE1 4.5Å; P498-F575 HydrophobicContact CB-CZ 3.84Å; P498-F575 HydrophobicContact CG-CZ 4.37Å; C500-F575 HydrophobicContact CB-CD1 4.45Å; C500-F575 HydrophobicContact CB-CE1 4.07Å; H530-F575 HydrophobicContact CB-CE1 3.72Å; H530-F575 HydrophobicContact CB-CZ 4.29Å; H531-F575 HydrophobicContact CB-CE2 3.79Å; H531-F575 HydrophobicContact CB-CZ 3.81Å; S573-F575 VanDerWaalsContact C-N 3.28Å; S573-F575 PolarHBondContact O-N 3.41Å; F575-M577 VanDerWaalsContact C-N 3.31Å; F575-M577 PolarHBondContact O-N 2.76Å; F575-T578 PolarHBondContact O-N 3.42Å; F575-T578 VanDerWaalsContact O-N 3.17Å; F575-I579 WeakPolarHBondContact O-CD1 2.81Å; F575-I579 VanDerWaalsContact O-CG1 3.29Å; F575-I579 WeakPolarHBondContact O-CG1 3.48Å; F575-I579 PolarHBondContact O-N 3.25Å; F575-I600 HydrophobicContact CB-CD1 3.96Å; F575-I600 HydrophobicContact CD1-CD1 3.85Å; F575-I600 HydrophobicContact CD1-CG1 3.89Å; F575-I600 HydrophobicContact CD1-CG2 4.16Å; F575-I600 HydrophobicContact CE1-CG1 4.33Å; F575-I600 HydrophobicContact CE1-CG2 4.35Å; F575-I600 HydrophobicContact CG-CD1 4.17Å; F575-I600 HydrophobicContact CG-CG2 4.25Å; F575-E604 HydrophobicContact CD2-CB 4.07Å; F575-E604 HydrophobicContact CE2-CB 3.76Å; F575-E604 HydrophobicContact CE2-CG 4.02Å; F575-A608 HydrophobicContact CB-CB 4.3Å |
| 576 | Q | 94 | Very high | 93 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.4 | -40.3 | 175.4 | -73.5 | 165.8 | -33.9 | 0 | 0 | 111.9 | V572 S573 I579 L580 A608 S611 L612 | V572-Q576 HydrophobicContact CB-CB 3.76Å; V572-Q576 HydrophobicContact CG1-CB 4.22Å; V572-Q576 HydrophobicContact CG2-CB 4.49Å; S573-Q576 PolarHBondContact O-N 3.22Å; S573-Q576 WeakPolarHBondContact OG-CB 3.43Å; S573-Q576 VanDerWaalsContact OG-CD 3.27Å; S573-Q576 VanDerWaalsContact OG-CG 3.28Å; S573-Q576 WeakPolarHBondContact OG-CG 3.49Å; S573-Q576 PolarHBondContact OG-N 3.18Å; S573-Q576 PolarHBondContact OG-OE1 2.97Å; Q576-I579 PolarHBondContact O-N 3.25Å; Q576-L580 WeakPolarHBondContact O-CB 3.46Å; Q576-L580 VanDerWaalsContact O-CG 3.26Å; Q576-L580 WeakPolarHBondContact O-CG 3.24Å; Q576-L580 PolarHBondContact O-N 2.87Å; Q576-A608 HydrophobicContact CG-CB 4.14Å; Q576-S611 PolarHBondContact NE2-OG 3.36Å; Q576-L612 HydrophobicContact CB-CD1 4.23Å; Q576-L612 HydrophobicContact CB-CD2 4.37Å; Q576-L612 HydrophobicContact CG-CD1 4.07Å; Q576-L612 HydrophobicContact CG-CD2 4.23Å; Q576-L612 HydrophobicContact CG-CG 4.09Å |
| 577 | M | 95.1 | Very high | 93.1 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.8 | -49.2 | 173.3 | 169.8 | -169.6 | 78.6 | 0 | 0 | 111.3 | P506 A535 L537 V572 S573 T574 F575 I579 L580 M581 | P506-M577 HydrophobicContact CG-CE 4.12Å; P506-M577 HydrophobicContact CG-SD 4.44Å; A535-M577 HydrophobicContact CB-CB 4.15Å; A535-M577 HydrophobicContact CB-CG 4.19Å; A535-M577 HydrophobicContact CB-SD 3.5Å; A535-M577 WeakPolarHBondContact CB-SD 3.45Å; L537-M577 HydrophobicContact CD1-CB 4.15Å; L537-M577 HydrophobicContact CD1-CG 4.08Å; L537-M577 HydrophobicContact CD2-CG 3.95Å; L537-M577 HydrophobicContact CD2-SD 4.44Å; L537-M577 HydrophobicContact CG-CG 4.45Å; V572-M577 HydrophobicContact CG2-CB 3.95Å; S573-M577 PolarHBondContact O-N 3.21Å; T574-M577 HydrophobicContact CG2-CE 4.17Å; T574-M577 PolarHBondContact O-N 3.13Å; F575-M577 VanDerWaalsContact C-N 3.31Å; F575-M577 PolarHBondContact O-N 2.76Å; M577-I579 VanDerWaalsContact C-N 3.28Å; M577-I579 PolarHBondContact O-N 2.79Å; M577-L580 PolarHBondContact O-N 3.17Å; M577-M581 HydrophobicContact CG-CG 4.21Å; M577-M581 WeakPolarHBondContact O-CB 3.18Å; M577-M581 VanDerWaalsContact O-CG 3.24Å; M577-M581 WeakPolarHBondContact O-CG 3.45Å; M577-M581 PolarHBondContact O-N 3.25Å |
| 578 | T | 95.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -42.5 | -177.5 | -56 | 0 | 0 | 0 | 0 | 110.9 | N501 T574 F575 T598 | N501-T578 WeakPolarHBondContact O-CG2 3.43Å; T574-T578 WeakPolarHBondContact O-CB 3.29Å; T574-T578 PolarHBondContact O-N 2.78Å; T574-T578 PolarHBondContact O-OG1 3.47Å; F575-T578 PolarHBondContact O-N 3.42Å; F575-T578 VanDerWaalsContact O-N 3.17Å; T578-T598 HydrophobicContact CG2-CG2 3.78Å |
| 579 | I | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -51.5 | 175 | -64.5 | 161.2 | 0 | 0 | 0 | 111.2 | F575 Q576 M577 M581 L582 F583 I594 I600 L605 A608 L609 L612 L622 | F575-I579 WeakPolarHBondContact O-CD1 2.81Å; F575-I579 VanDerWaalsContact O-CG1 3.29Å; F575-I579 WeakPolarHBondContact O-CG1 3.48Å; F575-I579 PolarHBondContact O-N 3.25Å; Q576-I579 PolarHBondContact O-N 3.25Å; M577-I579 VanDerWaalsContact C-N 3.28Å; M577-I579 PolarHBondContact O-N 2.79Å; I579-M581 VanDerWaalsContact C-N 3.26Å; I579-M581 PolarHBondContact O-N 3.49Å; I579-L582 WeakPolarHBondContact O-CB 3.09Å; I579-L582 PolarHBondContact O-N 3.01Å; I579-F583 HydrophobicContact CG2-CE2 4.28Å; I579-F583 WeakPolarHBondContact O-CD2 3.48Å; I579-I594 HydrophobicContact CG1-CG2 4.02Å; I579-I594 HydrophobicContact CG2-CG2 4.31Å; I579-I600 HydrophobicContact CD1-CD1 4.42Å; I579-I600 HydrophobicContact CG1-CD1 4.18Å; I579-L605 HydrophobicContact CD1-CD1 3.65Å; I579-L605 HydrophobicContact CG1-CD1 4.04Å; I579-A608 HydrophobicContact CD1-CB 3.58Å; I579-L609 HydrophobicContact CD1-CD2 4.36Å; I579-L609 HydrophobicContact CD1-CG 4.29Å; I579-L609 HydrophobicContact CG2-CD2 3.82Å; I579-L612 HydrophobicContact CB-CD1 4.35Å; I579-L612 HydrophobicContact CD1-CD1 4.37Å; I579-L612 HydrophobicContact CG2-CD1 4.05Å; I579-L622 HydrophobicContact CG2-CD1 4.32Å |
| 580 | L | 95.6 | Very high | 93.5 | Very high | 20 Ų | 20 | 42.9 Ų | 42.9 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -33.9 | -176.2 | -73.1 | 172.6 | 0 | 0 | 0 | 112.5 | L537 L570 V572 Q576 M577 L582 F583 L612 V621 L622 | L537-L580 HydrophobicContact CD1-CB 4.3Å; L537-L580 HydrophobicContact CD1-CD1 4.09Å; L570-L580 HydrophobicContact CD1-CD1 4.21Å; V572-L580 HydrophobicContact CG1-CD1 4.08Å; Q576-L580 WeakPolarHBondContact O-CB 3.46Å; Q576-L580 VanDerWaalsContact O-CG 3.26Å; Q576-L580 WeakPolarHBondContact O-CG 3.24Å; Q576-L580 PolarHBondContact O-N 2.87Å; M577-L580 PolarHBondContact O-N 3.17Å; L580-L582 PolarHBondContact O-N 3.15Å; L580-F583 PolarHBondContact O-N 3.16Å; L580-L612 HydrophobicContact CD1-CD2 4.06Å; L580-L612 HydrophobicContact CD2-CD2 4.22Å; L580-L612 HydrophobicContact CG-CD1 4.4Å; L580-L612 HydrophobicContact CG-CD2 4.24Å; L580-V621 HydrophobicContact CD2-CG1 3.79Å; L580-L622 HydrophobicContact CD2-CD1 4.5Å; L580-L622 HydrophobicContact CD2-CD2 4.1Å; L580-L622 HydrophobicContact CD2-CG 4.25Å |
| 581 | M | 94.2 | Very high | 93.5 | Very high | 69 Ų | 69 | 42.8 Ų | 42.8 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.8 | -23.5 | 179.5 | -72.2 | -61.8 | -64.9 | 0 | 0 | 113.4 | P503 M577 I579 F583 N584 | P503-M581 HydrophobicContact CB-CB 4.38Å; P503-M581 HydrophobicContact CB-CG 4.43Å; P503-M581 HydrophobicContact CG-CB 3.85Å; P503-M581 HydrophobicContact CG-CG 3.95Å; M577-M581 HydrophobicContact CG-CG 4.21Å; M577-M581 WeakPolarHBondContact O-CB 3.18Å; M577-M581 VanDerWaalsContact O-CG 3.24Å; M577-M581 WeakPolarHBondContact O-CG 3.45Å; M577-M581 PolarHBondContact O-N 3.25Å; I579-M581 VanDerWaalsContact C-N 3.26Å; I579-M581 PolarHBondContact O-N 3.49Å; M581-F583 PolarHBondContact O-N 3.04Å; M581-N584 PolarHBondContact O-N 3.47Å; M581-N584 PolarHBondContact O-ND2 3.47Å |
| 582 | L | 94.7 | Very high | 93.7 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.2 | -33.4 | 174.8 | -64.6 | -178.4 | 0 | 0 | 0 | 112.4 | I579 L580 N584 N585 R586 Y589 I594 E597 T598 | I579-L582 WeakPolarHBondContact O-CB 3.09Å; I579-L582 PolarHBondContact O-N 3.01Å; L580-L582 PolarHBondContact O-N 3.15Å; L582-N584 PolarHBondContact O-N 2.98Å; L582-N585 WeakPolarHBondContact O-CB 3.43Å; L582-N585 PolarHBondContact O-N 3.37Å; L582-R586 PolarHBondContact O-N 2.89Å; L582-Y589 HydrophobicContact CB-CD2 4.4Å; L582-Y589 HydrophobicContact CB-CE1 4.45Å; L582-Y589 HydrophobicContact CB-CE2 3.78Å; L582-Y589 WeakPolarHBondContact O-CE2 3.49Å; L582-Y589 PolarHBondContact O-OH 3.43Å; L582-I594 HydrophobicContact CD1-CB 4.43Å; L582-I594 HydrophobicContact CD1-CG1 4.28Å; L582-I594 HydrophobicContact CD1-CG2 4.13Å; L582-E597 HydrophobicContact CD1-CB 4.43Å; L582-E597 HydrophobicContact CD2-CB 4.21Å; L582-T598 HydrophobicContact CD1-CG2 3.68Å; L582-T598 HydrophobicContact CG-CG2 4.29Å |
| 583 | F | 94.9 | Very high | 93.8 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 9% | 0.088 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -6.9 | -176.2 | -70.3 | -84.9 | 0 | 0 | 0 | 114 | I579 L580 M581 N585 R586 Y589 L622 F637 V639 | I579-F583 HydrophobicContact CG2-CE2 4.28Å; I579-F583 WeakPolarHBondContact O-CD2 3.48Å; L580-F583 PolarHBondContact O-N 3.16Å; M581-F583 PolarHBondContact O-N 3.04Å; F583-N585 VanDerWaalsContact C-N 3.27Å; F583-R586 VanDerWaalsContact CA-O 3.31Å; F583-R586 WeakPolarHBondContact CA-O 3.4Å; F583-Y589 HydrophobicContact CD1-CD2 4.05Å; F583-Y589 HydrophobicContact CD1-CE2 4.35Å; F583-Y589 AromaticContact CE1-CD2 3.78Å; F583-Y589 HydrophobicContact CE1-CD2 3.78Å; F583-Y589 HydrophobicContact CE2-CD2 4.47Å; F583-Y589 HydrophobicContact CZ-CD2 4.02Å; F583-L622 HydrophobicContact CD2-CD2 4.1Å; F583-L622 HydrophobicContact CE1-CD2 4.44Å; F583-L622 HydrophobicContact CE2-CD1 3.96Å; F583-L622 HydrophobicContact CE2-CD2 3.84Å; F583-L622 HydrophobicContact CZ-CD1 4.28Å; F583-L622 HydrophobicContact CZ-CD2 4.02Å; F583-F637 WeakPolarHBondContact CE1-O 3.12Å; F583-F637 HydrophobicContact CZ-CB 3.96Å; F583-V639 HydrophobicContact CB-CG2 3.64Å; F583-V639 HydrophobicContact CD1-CG2 3.77Å; F583-V639 HydrophobicContact CG-CG2 3.81Å |
| 584 | N | 92.2 | Very high | 93.9 | Very high | 118 Ų | 118 | 46.4 Ų | 46.4 | 63% | 0.631 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -16.9 | 168.1 | -62.8 | -53.4 | 0 | 0 | 0 | 112.6 | M581 L582 | M581-N584 PolarHBondContact O-N 3.47Å; M581-N584 PolarHBondContact O-ND2 3.47Å; L582-N584 PolarHBondContact O-N 2.98Å |
| 585 | N | 91.4 | Very high | 94.1 | Very high | 129 Ų | 129 | 48.1 Ų | 48.1 | 69% | 0.69 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -37.5 | -178.1 | -58.7 | -26.5 | 0 | 0 | 0 | 112.7 | L582 F583 | L582-N585 WeakPolarHBondContact O-CB 3.43Å; L582-N585 PolarHBondContact O-N 3.37Å; F583-N585 VanDerWaalsContact C-N 3.27Å |
| 586 | R | 92.3 | Very high | 94.1 | Very high | 117 Ų | 117 | 54.7 Ų | 54.7 | 44% | 0.442 | 26% | 0.261 | S | S | . | . | trans | -142.2 | 149 | 178.5 | -49.6 | -179.5 | -162 | 141.8 | 19.7 | 110 | L582 F583 Y589 E597 | L582-R586 PolarHBondContact O-N 2.89Å; F583-R586 VanDerWaalsContact CA-O 3.31Å; F583-R586 WeakPolarHBondContact CA-O 3.4Å; R586-Y589 HydrophobicContact CB-CE1 4.37Å; R586-Y589 HydrophobicContact CB-CE2 3.72Å; R586-Y589 HydrophobicContact CG-CE1 4.39Å; R586-Y589 HydrophobicContact CG-CE2 4.47Å; R586-Y589 WeakPolarHBondContact CG-OH 3.41Å; R586-Y589 WeakPolarHBondContact O-CE2 3.28Å; R586-E597 IonicContact CZ-OE1 2.85Å; R586-E597 IonicContact NH1-OE1 2.61Å; R586-E597 PolarHBondContact NH1-OE1 3.25Å; R586-E597 IonicContact NH2-OE1 2.73Å; R586-E597 PolarHBondContact NH2-OE1 3.47Å | ||
| 587 | E | 87.1 | Confident | 94.1 | Very high | 122 Ų | 122 | 57.7 Ų | 57.7 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -80.1 | -25.9 | -175.3 | -62.4 | 179.2 | 173 | 0 | 0 | 114.1 | V555 | V555-E587 WeakPolarHBondContact CG1-OE2 3.37Š|
| 588 | K | 92.9 | Very high | 94.1 | Very high | 109 Ų | 109 | 56.9 Ų | 56.9 | 47% | 0.474 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 140.7 | -176.3 | -44.9 | -160.9 | 176.6 | -179.9 | 0 | 110.5 | I636 F637 T638 | K588-I636 HydrophobicContact CB-CG2 4.18Å; K588-I636 HydrophobicContact CD-CG2 4.5Å; K588-F637 WeakPolarHBondContact CA-O 3.29Å; K588-T638 HydrophobicContact CB-CG2 3.97Å; K588-T638 HydrophobicContact CD-CG2 3.76Å; K588-T638 HydrophobicContact CG-CG2 3.53Å |
| 589 | Y | 96.5 | Very high | 94 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 144.2 | 172.1 | -68.9 | -93.2 | 0 | 0 | 0 | 110.7 | L582 F583 R586 E593 I594 I636 F637 | L582-Y589 HydrophobicContact CB-CD2 4.4Å; L582-Y589 HydrophobicContact CB-CE1 4.45Å; L582-Y589 HydrophobicContact CB-CE2 3.78Å; L582-Y589 WeakPolarHBondContact O-CE2 3.49Å; L582-Y589 PolarHBondContact O-OH 3.43Å; F583-Y589 HydrophobicContact CD1-CD2 4.05Å; F583-Y589 HydrophobicContact CD1-CE2 4.35Å; F583-Y589 AromaticContact CE1-CD2 3.78Å; F583-Y589 HydrophobicContact CE1-CD2 3.78Å; F583-Y589 HydrophobicContact CE2-CD2 4.47Å; F583-Y589 HydrophobicContact CZ-CD2 4.02Å; R586-Y589 HydrophobicContact CB-CE1 4.37Å; R586-Y589 HydrophobicContact CB-CE2 3.72Å; R586-Y589 HydrophobicContact CG-CE1 4.39Å; R586-Y589 HydrophobicContact CG-CE2 4.47Å; R586-Y589 WeakPolarHBondContact CG-OH 3.41Å; R586-Y589 WeakPolarHBondContact O-CE2 3.28Å; Y589-E593 HydrophobicContact CD1-CB 4.13Å; Y589-I594 HydrophobicContact CG-CG1 4.23Å; Y589-I636 WeakPolarHBondContact O-CA 3.3Å; Y589-F637 PolarHBondContact N-O 2.99Å; Y589-F637 VanDerWaalsContact N-O 3.12Å; Y589-F637 PolarHBondContact O-N 2.85Å |
| 590 | T | 95.9 | Very high | 93.9 | Very high | 40 Ų | 40 | 60 Ų | 60 | 25% | 0.245 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 162.3 | 165.7 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | E592 E593 I594 H635 I636 | T590-E592 VanDerWaalsContact C-N 3.3Å; T590-E592 PolarHBondContact O-N 3.12Å; T590-E593 WeakPolarHBondContact CB-OE2 3.31Å; T590-E593 PolarHBondContact N-OE2 3.03Å; T590-E593 PolarHBondContact O-N 3.01Å; T590-E593 WeakPolarHBondContact OG1-CB 3.46Å; T590-E593 VanDerWaalsContact OG1-CD 3.26Å; T590-E593 WeakPolarHBondContact OG1-CG 3.49Å; T590-E593 PolarHBondContact OG1-N 2.89Å; T590-E593 PolarHBondContact OG1-OE2 3.28Å; T590-I594 WeakPolarHBondContact O-CG1 3.46Å; T590-I594 PolarHBondContact O-N 2.91Å; T590-I594 VanDerWaalsContact O-N 3.09Å; T590-H635 CarbonylContact C-O 3.54Å; T590-H635 WeakPolarHBondContact CA-O 3.42Å; T590-I636 HydrophobicContact CG2-CG1 4.18Å |
| 591 | F | 94.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57 | -43.6 | 174.4 | 177.3 | -92.7 | 0 | 0 | 0 | 112.2 | I594 Q595 E602 L605 V606 L609 I631 E632 N633 H635 F637 | F591-I594 PolarHBondContact O-N 2.97Å; F591-Q595 WeakPolarHBondContact O-CB 3.44Å; F591-Q595 PolarHBondContact O-N 3.42Å; F591-E602 HydrophobicContact CE1-CG 4.13Å; F591-E602 HydrophobicContact CZ-CG 3.85Å; F591-L605 HydrophobicContact CD2-CD2 4.21Å; F591-L605 HydrophobicContact CD2-CG 4.39Å; F591-L605 HydrophobicContact CE1-CD2 4.38Å; F591-L605 HydrophobicContact CE2-CB 4.39Å; F591-L605 HydrophobicContact CE2-CD2 3.69Å; F591-L605 HydrophobicContact CE2-CG 3.71Å; F591-L605 HydrophobicContact CZ-CD2 3.8Å; F591-L605 HydrophobicContact CZ-CG 4.16Å; F591-V606 HydrophobicContact CE2-CG2 3.72Å; F591-V606 HydrophobicContact CZ-CG2 3.79Å; F591-L609 HydrophobicContact CD2-CD1 3.59Å; F591-L609 HydrophobicContact CE2-CD1 3.95Å; F591-I631 HydrophobicContact CD2-CG2 3.32Å; F591-I631 HydrophobicContact CE2-CG2 3.61Å; F591-I631 HydrophobicContact CG-CG2 4.15Å; F591-E632 WeakPolarHBondContact CB-O 3.46Å; F591-N633 WeakPolarHBondContact CB-O 3.34Å; F591-H635 PolarHBondContact N-O 3.42Å; F591-F637 HydrophobicContact CB-CE2 4.17Å |
| 592 | E | 94.9 | Very high | 93.4 | Very high | 87 Ų | 87 | 63.6 Ų | 63.6 | 41% | 0.407 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 179.4 | -69.5 | -174.7 | 170.4 | 0 | 0 | 112.3 | T590 Q595 Q596 N633 | T590-E592 VanDerWaalsContact C-N 3.3Å; T590-E592 PolarHBondContact O-N 3.12Å; E592-Q595 WeakPolarHBondContact O-CB 3.38Å; E592-Q595 PolarHBondContact O-N 3.48Å; E592-Q596 WeakPolarHBondContact O-CB 3.44Å; E592-Q596 VanDerWaalsContact O-CG 3.3Å; E592-Q596 WeakPolarHBondContact O-CG 3.49Å; E592-Q596 PolarHBondContact O-N 3.43Å; E592-N633 HydrophobicContact CG-CB 3.72Å; E592-N633 VanDerWaalsContact OE1-CB 3.27Å; E592-N633 WeakPolarHBondContact OE1-CB 3.26Å; E592-N633 PolarHBondContact OE1-ND2 2.95Å |
| 593 | E | 95.1 | Very high | 93 | Very high | 71 Ų | 71 | 68.7 Ų | 68.7 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 176.5 | -72.2 | 166.4 | 137.2 | 0 | 0 | 111.6 | Y589 T590 Q595 Q596 E597 | Y589-E593 HydrophobicContact CD1-CB 4.13Å; T590-E593 WeakPolarHBondContact CB-OE2 3.31Å; T590-E593 PolarHBondContact N-OE2 3.03Å; T590-E593 PolarHBondContact O-N 3.01Å; T590-E593 WeakPolarHBondContact OG1-CB 3.46Å; T590-E593 VanDerWaalsContact OG1-CD 3.26Å; T590-E593 WeakPolarHBondContact OG1-CG 3.49Å; T590-E593 PolarHBondContact OG1-N 2.89Å; T590-E593 PolarHBondContact OG1-OE2 3.28Å; E593-Q595 VanDerWaalsContact C-N 3.29Å; E593-Q595 PolarHBondContact O-N 3.33Å; E593-Q596 PolarHBondContact O-N 3.36Å; E593-E597 WeakPolarHBondContact O-CB 3.27Å; E593-E597 WeakPolarHBondContact O-CG 3.25Å; E593-E597 PolarHBondContact O-N 3.32Å |
| 594 | I | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 175.3 | -61.8 | 171.2 | 0 | 0 | 0 | 109.6 | I579 L582 Y589 T590 F591 T598 L605 L609 F637 | I579-I594 HydrophobicContact CG1-CG2 4.02Å; I579-I594 HydrophobicContact CG2-CG2 4.31Å; L582-I594 HydrophobicContact CD1-CB 4.43Å; L582-I594 HydrophobicContact CD1-CG1 4.28Å; L582-I594 HydrophobicContact CD1-CG2 4.13Å; Y589-I594 HydrophobicContact CG-CG1 4.23Å; T590-I594 WeakPolarHBondContact O-CG1 3.46Å; T590-I594 PolarHBondContact O-N 2.91Å; T590-I594 VanDerWaalsContact O-N 3.09Å; F591-I594 PolarHBondContact O-N 2.97Å; I594-T598 HydrophobicContact CG2-CG2 4.05Å; I594-T598 VanDerWaalsContact O-CB 3.29Å; I594-T598 WeakPolarHBondContact O-CB 3.42Å; I594-T598 VanDerWaalsContact O-CG2 3.27Å; I594-T598 WeakPolarHBondContact O-CG2 3.17Å; I594-T598 PolarHBondContact O-N 3.09Å; I594-T598 PolarHBondContact O-OG1 2.65Å; I594-L605 HydrophobicContact CG2-CD1 3.72Å; I594-L605 HydrophobicContact CG2-CD2 4.46Å; I594-L609 HydrophobicContact CD1-CD1 4.42Å; I594-L609 HydrophobicContact CD1-CD2 4.07Å; I594-F637 HydrophobicContact CD1-CB 4.24Å; I594-F637 HydrophobicContact CD1-CD2 3.92Å; I594-F637 HydrophobicContact CD1-CG 4.26Å |
| 595 | Q | 94.8 | Very high | 92.5 | Very high | 54 Ų | 54 | 64.2 Ų | 64.2 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | 178.8 | -169.3 | 178.4 | 29.8 | 0 | 0 | 112 | F591 E592 E593 D599 L605 | F591-Q595 WeakPolarHBondContact O-CB 3.44Å; F591-Q595 PolarHBondContact O-N 3.42Å; E592-Q595 WeakPolarHBondContact O-CB 3.38Å; E592-Q595 PolarHBondContact O-N 3.48Å; E593-Q595 VanDerWaalsContact C-N 3.29Å; E593-Q595 PolarHBondContact O-N 3.33Å; Q595-D599 VanDerWaalsContact O-CA 3.28Å; Q595-D599 WeakPolarHBondContact O-CA 3.45Å; Q595-D599 PolarHBondContact O-N 2.94Å; Q595-L605 HydrophobicContact CB-CD2 3.53Å; Q595-L605 HydrophobicContact CG-CD2 3.92Å |
| 596 | Q | 93.8 | Very high | 92.5 | Very high | 147 Ų | 147 | 59.5 Ų | 59.5 | 69% | 0.687 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -66.4 | -44.6 | -179.7 | -71.1 | 175.4 | 12.6 | 0 | 0 | 112.2 | E592 E593 | E592-Q596 WeakPolarHBondContact O-CB 3.44Å; E592-Q596 VanDerWaalsContact O-CG 3.3Å; E592-Q596 WeakPolarHBondContact O-CG 3.49Å; E592-Q596 PolarHBondContact O-N 3.43Å; E593-Q596 PolarHBondContact O-N 3.36Å |
| 597 | E | 94.4 | Very high | 92.3 | Very high | 64 Ų | 64 | 57.3 Ų | 57.3 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.1 | -36.8 | -177.9 | -69.1 | -166.4 | -160.2 | 0 | 0 | 112.2 | N501 L582 R586 E593 | N501-E597 WeakPolarHBondContact CB-O 3.29Å; N501-E597 PolarHBondContact ND2-O 3.48Å; L582-E597 HydrophobicContact CD1-CB 4.43Å; L582-E597 HydrophobicContact CD2-CB 4.21Å; R586-E597 IonicContact CZ-OE1 2.85Å; R586-E597 IonicContact NH1-OE1 2.61Å; R586-E597 PolarHBondContact NH1-OE1 3.25Å; R586-E597 IonicContact NH2-OE1 2.73Å; R586-E597 PolarHBondContact NH2-OE1 3.47Å; E593-E597 WeakPolarHBondContact O-CB 3.27Å; E593-E597 WeakPolarHBondContact O-CG 3.25Å; E593-E597 PolarHBondContact O-N 3.32Å |
| 598 | T | 94.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -88.2 | -20.4 | -179.4 | 67.4 | 0 | 0 | 0 | 0 | 114.4 | C500 N501 T578 L582 I594 I600 | C500-T598 CarbonylContact C-O 3.52Å; C500-T598 WeakPolarHBondContact CA-O 3.42Å; N501-T598 PolarHBondContact N-O 3.23Å; T578-T598 HydrophobicContact CG2-CG2 3.78Å; L582-T598 HydrophobicContact CD1-CG2 3.68Å; L582-T598 HydrophobicContact CG-CG2 4.29Å; I594-T598 HydrophobicContact CG2-CG2 4.05Å; I594-T598 VanDerWaalsContact O-CB 3.29Å; I594-T598 WeakPolarHBondContact O-CB 3.42Å; I594-T598 VanDerWaalsContact O-CG2 3.27Å; I594-T598 WeakPolarHBondContact O-CG2 3.17Å; I594-T598 PolarHBondContact O-N 3.09Å; I594-T598 PolarHBondContact O-OG1 2.65Å; T598-I600 HydrophobicContact CG2-CD1 4.27Å; T598-I600 PolarHBondContact O-N 2.96Å; T598-I600 VanDerWaalsContact O-N 3.16Å; T598-I600 WeakPolarHBondContact OG1-CG1 3.27Å; T598-I600 PolarHBondContact OG1-N 3.11Å |
| 599 | D | 94.1 | Very high | 92.4 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 35% | 0.353 | 22% | 0.221 | S | C | . | . | trans | 53.1 | 26.8 | -172.8 | -162 | 27.2 | 0 | 0 | 0 | 113.4 | K499 Q595 | K499-D599 CarbonylContact C-O 3.49Å; K499-D599 HydrophobicContact CB-CB 4.45Å; K499-D599 WeakPolarHBondContact CB-O 3.19Å; K499-D599 VanDerWaalsContact CB-OD2 3.29Å; K499-D599 WeakPolarHBondContact CB-OD2 3.29Å; K499-D599 WeakPolarHBondContact CD-OD2 3.37Å; Q595-D599 VanDerWaalsContact O-CA 3.28Å; Q595-D599 WeakPolarHBondContact O-CA 3.45Å; Q595-D599 PolarHBondContact O-N 2.94Å | ||
| 600 | I | 92.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | trans | -79 | 132.9 | 177.7 | -63.8 | 168.7 | 0 | 0 | 0 | 108.9 | F575 I579 T598 E602 E604 L605 | F575-I600 HydrophobicContact CB-CD1 3.96Å; F575-I600 HydrophobicContact CD1-CD1 3.85Å; F575-I600 HydrophobicContact CD1-CG1 3.89Å; F575-I600 HydrophobicContact CD1-CG2 4.16Å; F575-I600 HydrophobicContact CE1-CG1 4.33Å; F575-I600 HydrophobicContact CE1-CG2 4.35Å; F575-I600 HydrophobicContact CG-CD1 4.17Å; F575-I600 HydrophobicContact CG-CG2 4.25Å; I579-I600 HydrophobicContact CD1-CD1 4.42Å; I579-I600 HydrophobicContact CG1-CD1 4.18Å; T598-I600 HydrophobicContact CG2-CD1 4.27Å; T598-I600 PolarHBondContact O-N 2.96Å; T598-I600 VanDerWaalsContact O-N 3.16Å; T598-I600 WeakPolarHBondContact OG1-CG1 3.27Å; T598-I600 PolarHBondContact OG1-N 3.11Å; I600-E602 PolarHBondContact O-N 2.65Å; I600-E604 HydrophobicContact CG2-CB 4.06Å; I600-L605 HydrophobicContact CB-CB 4.29Å; I600-L605 HydrophobicContact CG2-CB 3.87Å | ||
| 601 | P | 90.4 | Very high | 91.7 | Very high | 54 Ų | 54 | 47.1 Ų | 47.1 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | trans | -56.3 | 138.4 | 175.4 | -26.7 | 35.3 | 0 | 0 | 0 | 112.5 | P498 R603 E604 L605 | P498-P601 HydrophobicContact CB-CG 4.03Å; P601-R603 VanDerWaalsContact C-N 3.3Å; P601-R603 PolarHBondContact O-N 3.34Å; P601-R603 VanDerWaalsContact O-N 3.13Å; P601-E604 PolarHBondContact O-N 2.99Å; P601-L605 PolarHBondContact O-N 3.02Å | ||
| 602 | E | 89.2 | Confident | 91.6 | Very high | 111 Ų | 111 | 47 Ų | 47 | 52% | 0.519 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -48.1 | -48.3 | -171.8 | -165.9 | -173.8 | 147.6 | 0 | 0 | 113.2 | F591 I600 E604 L605 V606 | F591-E602 HydrophobicContact CE1-CG 4.13Å; F591-E602 HydrophobicContact CZ-CG 3.85Å; I600-E602 PolarHBondContact O-N 2.65Å; E602-E604 VanDerWaalsContact C-N 3.33Å; E602-E604 PolarHBondContact O-N 3.21Å; E602-L605 PolarHBondContact O-N 2.75Å; E602-V606 WeakPolarHBondContact O-CG2 3.44Å; E602-V606 PolarHBondContact O-N 2.65Å |
| 603 | R | 85.8 | Confident | 91.3 | Very high | 127 Ų | 127 | 43.3 Ų | 43.3 | 48% | 0.479 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.1 | -43.4 | 179.3 | -175.7 | -178.7 | -178 | -154.4 | -4.5 | 113 | P601 R607 E665 | P601-R603 VanDerWaalsContact C-N 3.3Å; P601-R603 PolarHBondContact O-N 3.34Å; P601-R603 VanDerWaalsContact O-N 3.13Å; R603-R607 WeakPolarHBondContact O-CG 3.4Å; R603-R607 PolarHBondContact O-N 3.48Å; R603-E665 IonicContact CZ-OE1 2.69Å; R603-E665 IonicContact NH1-OE1 3.82Å; R603-E665 IonicContact NH2-OE1 3.64Å; R603-E665 PolarHBondContact NH2-OE1 3.22Å |
| 604 | E | 86.4 | Confident | 90.8 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 21% | 0.206 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -77.9 | -34.5 | -179.4 | -66.2 | -57.2 | 132.2 | 0 | 0 | 111.2 | F575 I600 P601 E602 R607 A608 | F575-E604 HydrophobicContact CD2-CB 4.07Å; F575-E604 HydrophobicContact CE2-CB 3.76Å; F575-E604 HydrophobicContact CE2-CG 4.02Å; I600-E604 HydrophobicContact CG2-CB 4.06Å; P601-E604 PolarHBondContact O-N 2.99Å; E602-E604 VanDerWaalsContact C-N 3.33Å; E602-E604 PolarHBondContact O-N 3.21Å; E604-R607 PolarHBondContact O-N 3.28Å; E604-R607 IonicContact OE1-CZ 2.75Å; E604-R607 IonicContact OE1-NH1 3.67Å; E604-R607 PolarHBondContact OE1-NH1 3.42Å; E604-A608 WeakPolarHBondContact O-CB 3.47Å; E604-A608 PolarHBondContact O-N 2.76Å |
| 605 | L | 90.9 | Very high | 90 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.9 | -46.8 | 175.1 | -179.9 | 57.5 | 0 | 0 | 0 | 111.6 | I579 F591 I594 Q595 I600 P601 E602 R607 A608 L609 | I579-L605 HydrophobicContact CD1-CD1 3.65Å; I579-L605 HydrophobicContact CG1-CD1 4.04Å; F591-L605 HydrophobicContact CD2-CD2 4.21Å; F591-L605 HydrophobicContact CD2-CG 4.39Å; F591-L605 HydrophobicContact CE1-CD2 4.38Å; F591-L605 HydrophobicContact CE2-CB 4.39Å; F591-L605 HydrophobicContact CE2-CD2 3.69Å; F591-L605 HydrophobicContact CE2-CG 3.71Å; F591-L605 HydrophobicContact CZ-CD2 3.8Å; F591-L605 HydrophobicContact CZ-CG 4.16Å; I594-L605 HydrophobicContact CG2-CD1 3.72Å; I594-L605 HydrophobicContact CG2-CD2 4.46Å; Q595-L605 HydrophobicContact CB-CD2 3.53Å; Q595-L605 HydrophobicContact CG-CD2 3.92Å; I600-L605 HydrophobicContact CB-CB 4.29Å; I600-L605 HydrophobicContact CG2-CB 3.87Å; P601-L605 PolarHBondContact O-N 3.02Å; E602-L605 PolarHBondContact O-N 2.75Å; L605-R607 PolarHBondContact O-N 2.94Å; L605-A608 PolarHBondContact O-N 2.9Å; L605-L609 HydrophobicContact CD1-CD1 3.78Å; L605-L609 HydrophobicContact CD1-CG 4.04Å; L605-L609 HydrophobicContact CG-CD1 3.88Å; L605-L609 WeakPolarHBondContact O-CB 3.3Å; L605-L609 WeakPolarHBondContact O-CG 3.02Å; L605-L609 PolarHBondContact O-N 3.23Å |
| 606 | V | 90.5 | Very high | 89.4 | Confident | 30 Ų | 30 | 46.4 Ų | 46.4 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.3 | -48 | 175.1 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | F591 E602 A608 L609 Q610 I631 | F591-V606 HydrophobicContact CE2-CG2 3.72Å; F591-V606 HydrophobicContact CZ-CG2 3.79Å; E602-V606 WeakPolarHBondContact O-CG2 3.44Å; E602-V606 PolarHBondContact O-N 2.65Å; V606-A608 VanDerWaalsContact C-N 3.35Å; V606-A608 PolarHBondContact O-N 2.99Å; V606-L609 PolarHBondContact O-N 2.9Å; V606-Q610 HydrophobicContact CG1-CG 4.23Å; V606-Q610 VanDerWaalsContact O-CB 3.3Å; V606-Q610 WeakPolarHBondContact O-CB 3.34Å; V606-Q610 VanDerWaalsContact O-CG 3.25Å; V606-Q610 WeakPolarHBondContact O-CG 3.5Å; V606-Q610 PolarHBondContact O-N 2.76Å; V606-I631 HydrophobicContact CG1-CB 4.29Å; V606-I631 HydrophobicContact CG2-CB 4.4Å; V606-I631 HydrophobicContact CG2-CG2 4.34Å |
| 607 | R | 87.8 | Confident | 88.7 | Confident | 70 Ų | 70 | 44 Ų | 44 | 26% | 0.264 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.2 | -42.8 | 178.2 | -74.7 | 171.3 | 169.3 | -179.7 | -11.1 | 112.3 | R603 E604 L605 S611 E665 | R603-R607 WeakPolarHBondContact O-CG 3.4Å; R603-R607 PolarHBondContact O-N 3.48Å; E604-R607 PolarHBondContact O-N 3.28Å; E604-R607 IonicContact OE1-CZ 2.75Å; E604-R607 IonicContact OE1-NH1 3.67Å; E604-R607 PolarHBondContact OE1-NH1 3.42Å; L605-R607 PolarHBondContact O-N 2.94Å; R607-S611 PolarHBondContact O-N 2.81Å; R607-S611 PolarHBondContact O-OG 2.77Å; R607-E665 IonicContact NH2-OE1 3.62Å; R607-E665 PolarHBondContact NH2-OE1 3.42Å |
| 608 | A | 90.2 | Very high | 88.1 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -49.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F575 Q576 I579 E604 L605 V606 Q610 S611 L612 | F575-A608 HydrophobicContact CB-CB 4.3Å; Q576-A608 HydrophobicContact CG-CB 4.14Å; I579-A608 HydrophobicContact CD1-CB 3.58Å; E604-A608 WeakPolarHBondContact O-CB 3.47Å; E604-A608 PolarHBondContact O-N 2.76Å; L605-A608 PolarHBondContact O-N 2.9Å; V606-A608 VanDerWaalsContact C-N 3.35Å; V606-A608 PolarHBondContact O-N 2.99Å; A608-Q610 PolarHBondContact O-N 2.9Å; A608-S611 PolarHBondContact O-N 2.79Å; A608-S611 PolarHBondContact O-OG 3.15Å; A608-L612 WeakPolarHBondContact O-CG 3.39Å; A608-L612 PolarHBondContact O-N 2.61Å; A608-L612 VanDerWaalsContact O-N 3.15Å |
| 609 | L | 92.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.2 | -36.4 | 178.9 | -73 | 170.3 | 0 | 0 | 0 | 112.8 | I579 F591 I594 L605 V606 S611 L612 A613 L622 I631 F637 | I579-L609 HydrophobicContact CD1-CD2 4.36Å; I579-L609 HydrophobicContact CD1-CG 4.29Å; I579-L609 HydrophobicContact CG2-CD2 3.82Å; F591-L609 HydrophobicContact CD2-CD1 3.59Å; F591-L609 HydrophobicContact CE2-CD1 3.95Å; I594-L609 HydrophobicContact CD1-CD1 4.42Å; I594-L609 HydrophobicContact CD1-CD2 4.07Å; L605-L609 HydrophobicContact CD1-CD1 3.78Å; L605-L609 HydrophobicContact CD1-CG 4.04Å; L605-L609 HydrophobicContact CG-CD1 3.88Å; L605-L609 WeakPolarHBondContact O-CB 3.3Å; L605-L609 WeakPolarHBondContact O-CG 3.02Å; L605-L609 PolarHBondContact O-N 3.23Å; V606-L609 PolarHBondContact O-N 2.9Å; L609-S611 VanDerWaalsContact C-N 3.31Å; L609-S611 PolarHBondContact O-N 3.36Å; L609-L612 PolarHBondContact O-N 3.01Å; L609-L612 VanDerWaalsContact O-N 3.15Å; L609-A613 WeakPolarHBondContact O-CB 3.29Å; L609-A613 PolarHBondContact O-N 3.36Å; L609-L622 HydrophobicContact CD2-CD1 4.21Å; L609-I631 HydrophobicContact CB-CD1 3.44Å; L609-I631 VanDerWaalsContact CB-CD1 3.44Å; L609-F637 HydrophobicContact CB-CE1 4.09Å; L609-F637 HydrophobicContact CB-CZ 4.21Å; L609-F637 HydrophobicContact CD1-CE1 4.38Å; L609-F637 HydrophobicContact CD1-CE2 3.97Å; L609-F637 HydrophobicContact CD1-CZ 3.88Å; L609-F637 HydrophobicContact CD2-CD1 4.04Å; L609-F637 HydrophobicContact CD2-CE1 4.06Å; L609-F637 HydrophobicContact CD2-CG 4.28Å; L609-F637 HydrophobicContact CD2-CZ 4.35Å; L609-F637 HydrophobicContact CG-CE1 4.42Å; L609-F637 HydrophobicContact CG-CZ 4.39Å |
| 610 | Q | 89.6 | Confident | 87.4 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -58.9 | -43.7 | 173.5 | -80.9 | 177.9 | -20.1 | 0 | 0 | 111.3 | V606 A608 L612 C614 G615 I631 V655 | V606-Q610 HydrophobicContact CG1-CG 4.23Å; V606-Q610 VanDerWaalsContact O-CB 3.3Å; V606-Q610 WeakPolarHBondContact O-CB 3.34Å; V606-Q610 VanDerWaalsContact O-CG 3.25Å; V606-Q610 WeakPolarHBondContact O-CG 3.5Å; V606-Q610 PolarHBondContact O-N 2.76Å; A608-Q610 PolarHBondContact O-N 2.9Å; Q610-L612 VanDerWaalsContact C-N 3.31Å; Q610-L612 PolarHBondContact O-N 3.12Å; Q610-C614 CarbonylContact O-C 3.54Å; Q610-C614 VanDerWaalsContact O-CA 3.31Å; Q610-C614 WeakPolarHBondContact O-CA 3.28Å; Q610-C614 WeakPolarHBondContact O-CB 3.48Å; Q610-C614 PolarHBondContact O-N 3.34Å; Q610-G615 PolarHBondContact O-N 2.95Å; Q610-I631 HydrophobicContact CB-CD1 4.36Å; Q610-I631 HydrophobicContact CG-CD1 3.62Å; Q610-I631 HydrophobicContact CG-CG1 4.08Å; Q610-V655 HydrophobicContact CB-CG2 4.14Å |
| 611 | S | 88.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -66.8 | -31.7 | 176.9 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | Q576 R607 A608 L609 Q653 | Q576-S611 PolarHBondContact NE2-OG 3.36Å; R607-S611 PolarHBondContact O-N 2.81Å; R607-S611 PolarHBondContact O-OG 2.77Å; A608-S611 PolarHBondContact O-N 2.79Å; A608-S611 PolarHBondContact O-OG 3.15Å; L609-S611 VanDerWaalsContact C-N 3.31Å; L609-S611 PolarHBondContact O-N 3.36Å; S611-Q653 WeakPolarHBondContact CB-O 3.36Å |
| 612 | L | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -82.8 | -34.6 | -178.4 | -67.7 | 169.2 | 0 | 0 | 0 | 113.5 | Q576 I579 L580 A608 L609 Q610 R620 V621 L622 I652 | Q576-L612 HydrophobicContact CB-CD1 4.23Å; Q576-L612 HydrophobicContact CB-CD2 4.37Å; Q576-L612 HydrophobicContact CG-CD1 4.07Å; Q576-L612 HydrophobicContact CG-CD2 4.23Å; Q576-L612 HydrophobicContact CG-CG 4.09Å; I579-L612 HydrophobicContact CB-CD1 4.35Å; I579-L612 HydrophobicContact CD1-CD1 4.37Å; I579-L612 HydrophobicContact CG2-CD1 4.05Å; L580-L612 HydrophobicContact CD1-CD2 4.06Å; L580-L612 HydrophobicContact CD2-CD2 4.22Å; L580-L612 HydrophobicContact CG-CD1 4.4Å; L580-L612 HydrophobicContact CG-CD2 4.24Å; A608-L612 WeakPolarHBondContact O-CG 3.39Å; A608-L612 PolarHBondContact O-N 2.61Å; A608-L612 VanDerWaalsContact O-N 3.15Å; L609-L612 PolarHBondContact O-N 3.01Å; L609-L612 VanDerWaalsContact O-N 3.15Å; Q610-L612 VanDerWaalsContact C-N 3.31Å; Q610-L612 PolarHBondContact O-N 3.12Å; L612-R620 CarbonylContact O-C 3.5Å; L612-R620 VanDerWaalsContact O-CA 3.29Å; L612-R620 WeakPolarHBondContact O-CA 3.38Å; L612-V621 PolarHBondContact O-N 3.26Å; L612-L622 HydrophobicContact CB-CB 4.44Å; L612-L622 HydrophobicContact CB-CD1 3.88Å; L612-L622 HydrophobicContact CB-CG 4.12Å; L612-L622 HydrophobicContact CD1-CD1 4.07Å; L612-L622 PolarHBondContact O-N 2.99Å; L612-I652 HydrophobicContact CD2-CG2 4.13Å |
| 613 | A | 90.4 | Very high | 87.6 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -113.9 | -33.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L609 R620 L622 K624 F637 | L609-A613 WeakPolarHBondContact O-CB 3.29Å; L609-A613 PolarHBondContact O-N 3.36Å; A613-R620 WeakPolarHBondContact O-CD 3.44Å; A613-L622 WeakPolarHBondContact CA-O 3.47Å; A613-L622 HydrophobicContact CB-CB 4.09Å; A613-K624 HydrophobicContact CB-CB 4.2Å; A613-F637 HydrophobicContact CB-CD1 4.05Å; A613-F637 HydrophobicContact CB-CE1 3.97Å |
| 614 | C | 84.6 | Confident | 87.9 | Confident | 33 Ų | 33 | 36.7 Ų | 36.7 | 22% | 0.223 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -107.3 | -2.4 | -172.8 | -57 | 0 | 0 | 0 | 0 | 113.3 | Q610 | Q610-C614 CarbonylContact O-C 3.54Å; Q610-C614 VanDerWaalsContact O-CA 3.31Å; Q610-C614 WeakPolarHBondContact O-CA 3.28Å; Q610-C614 WeakPolarHBondContact O-CB 3.48Å; Q610-C614 PolarHBondContact O-N 3.34Å |
| 615 | G | 77.8 | Confident | 88.1 | Confident | 21 Ų | 21 | 39.9 Ų | 39.9 | 22% | 0.216 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -68.5 | -158.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q610 R620 | Q610-G615 PolarHBondContact O-N 2.95Å; G615-R620 VanDerWaalsContact O-CZ 3.27Å; G615-R620 PolarHBondContact O-NE 2.92Å; G615-R620 PolarHBondContact O-NH2 3.23Å |
| 616 | K | 81.6 | Confident | 88 | Confident | 136 Ų | 136 | 43.8 Ų | 43.8 | 59% | 0.591 | 23% | 0.233 | S | C | * | . | trans | -67.5 | 147.1 | 172.7 | -68.2 | -178.2 | 177.8 | -176 | 0 | 109.8 | T618 Q619 R620 | K616-T618 PolarHBondContact O-N 2.97Å; K616-Q619 CarbonylContact O-C 3.56Å; K616-Q619 WeakPolarHBondContact O-CA 3.42Å; K616-Q619 PolarHBondContact O-N 3.35Å; K616-R620 WeakPolarHBondContact O-CG 3.43Å; K616-R620 PolarHBondContact O-N 3.49Å; K616-R620 VanDerWaalsContact O-N 3.13Å | ||
| 617 | P | 80.5 | Confident | 87.7 | Confident | 97 Ų | 97 | 51.6 Ų | 51.6 | 63% | 0.63 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -50 | -35.7 | 177.3 | -29.2 | 35.6 | 0 | 0 | 0 | 114 | Q619 R620 | P617-Q619 PolarHBondContact O-N 3.26Å; P617-R620 PolarHBondContact O-N 2.83Å |
| 618 | T | 81 | Confident | 87.6 | Confident | 74 Ų | 74 | 50.7 Ų | 50.7 | 45% | 0.454 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -72.4 | 1 | 176.1 | 55 | 0 | 0 | 0 | 0 | 115.3 | K616 F643 | K616-T618 PolarHBondContact O-N 2.97Å; T618-F643 WeakPolarHBondContact O-CE2 3.46Å |
| 619 | Q | 84.6 | Confident | 87.1 | Confident | 30 Ų | 30 | 59.2 Ų | 59.2 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -132.2 | -1.5 | 179.2 | -66.3 | 178.8 | -20 | 0 | 0 | 112.7 | K616 P617 V621 K651 I652 | K616-Q619 CarbonylContact O-C 3.56Å; K616-Q619 WeakPolarHBondContact O-CA 3.42Å; K616-Q619 PolarHBondContact O-N 3.35Å; P617-Q619 PolarHBondContact O-N 3.26Å; Q619-V621 PolarHBondContact O-N 2.81Å; Q619-K651 PolarHBondContact NE2-O 2.95Å; Q619-I652 HydrophobicContact CB-CD1 3.98Å; Q619-I652 HydrophobicContact CG-CD1 4.21Å |
| 620 | R | 88.1 | Confident | 86.8 | Confident | 103 Ų | 103 | 65.5 Ų | 65.5 | 39% | 0.389 | 33% | 0.334 | S | S | . | . | trans | -79.8 | 84 | -179.1 | -74.5 | -179.3 | -166.4 | 179 | 0.1 | 111 | L612 A613 G615 K616 P617 L622 N640 F643 | L612-R620 CarbonylContact O-C 3.5Å; L612-R620 VanDerWaalsContact O-CA 3.29Å; L612-R620 WeakPolarHBondContact O-CA 3.38Å; A613-R620 WeakPolarHBondContact O-CD 3.44Å; G615-R620 VanDerWaalsContact O-CZ 3.27Å; G615-R620 PolarHBondContact O-NE 2.92Å; G615-R620 PolarHBondContact O-NH2 3.23Å; K616-R620 WeakPolarHBondContact O-CG 3.43Å; K616-R620 PolarHBondContact O-N 3.49Å; K616-R620 VanDerWaalsContact O-N 3.13Å; P617-R620 PolarHBondContact O-N 2.83Å; R620-L622 VanDerWaalsContact C-N 3.34Å; R620-N640 PolarHBondContact O-ND2 2.7Å; R620-F643 WeakPolarHBondContact O-CD2 3.48Å | ||
| 621 | V | 91.4 | Very high | 86.7 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.024 | 33% | 0.328 | C | S | . | . | trans | -77.9 | -24 | 177.9 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | F541 L570 L580 L612 Q619 N640 F643 I652 | F541-V621 HydrophobicContact CE1-CG1 4.02Å; F541-V621 HydrophobicContact CZ-CG1 3.86Å; L570-V621 HydrophobicContact CD1-CG1 3.96Å; L570-V621 HydrophobicContact CD1-CG2 4.03Å; L570-V621 HydrophobicContact CD2-CG2 4.26Å; L580-V621 HydrophobicContact CD2-CG1 3.79Å; L612-V621 PolarHBondContact O-N 3.26Å; Q619-V621 PolarHBondContact O-N 2.81Å; V621-N640 WeakPolarHBondContact O-CB 3.37Å; V621-N640 PolarHBondContact O-N 3.04Å; V621-F643 HydrophobicContact CG2-CE2 4.36Å; V621-I652 HydrophobicContact CG2-CD1 3.86Å; V621-I652 HydrophobicContact CG2-CG1 4.35Å | ||
| 622 | L | 93.6 | Very high | 86.8 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 156.9 | 176.2 | -60.5 | 179.5 | 0 | 0 | 0 | 111.2 | I579 L580 F583 L609 L612 A613 R620 T638 V639 | I579-L622 HydrophobicContact CG2-CD1 4.32Å; L580-L622 HydrophobicContact CD2-CD1 4.5Å; L580-L622 HydrophobicContact CD2-CD2 4.1Å; L580-L622 HydrophobicContact CD2-CG 4.25Å; F583-L622 HydrophobicContact CD2-CD2 4.1Å; F583-L622 HydrophobicContact CE1-CD2 4.44Å; F583-L622 HydrophobicContact CE2-CD1 3.96Å; F583-L622 HydrophobicContact CE2-CD2 3.84Å; F583-L622 HydrophobicContact CZ-CD1 4.28Å; F583-L622 HydrophobicContact CZ-CD2 4.02Å; L609-L622 HydrophobicContact CD2-CD1 4.21Å; L612-L622 HydrophobicContact CB-CB 4.44Å; L612-L622 HydrophobicContact CB-CD1 3.88Å; L612-L622 HydrophobicContact CB-CG 4.12Å; L612-L622 HydrophobicContact CD1-CD1 4.07Å; L612-L622 PolarHBondContact O-N 2.99Å; A613-L622 WeakPolarHBondContact CA-O 3.47Å; A613-L622 HydrophobicContact CB-CB 4.09Å; R620-L622 VanDerWaalsContact C-N 3.34Å; L622-T638 CarbonylContact C-O 3.55Å; L622-T638 VanDerWaalsContact CA-O 3.26Å; L622-T638 WeakPolarHBondContact CA-O 3.33Å; L622-T638 WeakPolarHBondContact CD2-O 3.3Å; L622-V639 HydrophobicContact CD2-CG2 4.42Å |
| 623 | T | 91.6 | Very high | 86.5 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 30% | 0.301 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 148.1 | 167.8 | 30.7 | 0 | 0 | 0 | 0 | 109.9 | F637 T638 N640 | T623-F637 VanDerWaalsContact O-CA 3.3Å; T623-F637 WeakPolarHBondContact O-CA 3.22Å; T623-T638 PolarHBondContact N-O 3.3Å; T623-T638 PolarHBondContact O-N 2.81Å; T623-T638 PolarHBondContact OG1-O 2.97Å; T623-T638 PolarHBondContact OG1-OG1 3.47Å; T623-N640 HydrophobicContact CG2-CB 4.01Å |
| 624 | K | 93.5 | Very high | 86.4 | Confident | 11 Ų | 11 | 75 Ų | 75 | 5% | 0.048 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 136.2 | -179 | -171.8 | 178 | 78.7 | 72.2 | 0 | 110.8 | A613 P626 S628 E630 I631 H635 I636 F637 | A613-K624 HydrophobicContact CB-CB 4.2Å; K624-P626 PolarHBondContact NZ-O 3.02Å; K624-P626 CarbonylContact O-C 3.59Å; K624-S628 WeakPolarHBondContact CE-O 3.5Å; K624-S628 PolarHBondContact NZ-O 3.42Å; K624-S628 PolarHBondContact NZ-OG 3.17Å; K624-E630 WeakPolarHBondContact CE-O 3.13Å; K624-E630 PolarHBondContact NZ-O 3.07Å; K624-I631 HydrophobicContact CD-CG1 4.27Å; K624-H635 HydrophobicContact CD-CB 4.2Å; K624-H635 HydrophobicContact CG-CB 4.16Å; K624-H635 PolarHBondContact NZ-CE1 3.27Å; K624-H635 VanDerWaalsContact NZ-CE1 3.32Å; K624-H635 PolarHBondContact NZ-ND1 3.16Å; K624-H635 VanDerWaalsContact NZ-ND1 3.12Å; K624-I636 CarbonylContact C-O 3.25Å; K624-I636 WeakPolarHBondContact CA-O 3.41Å; K624-F637 HydrophobicContact CB-CD1 4.19Å; K624-F637 HydrophobicContact CB-CE1 4.03Å; K624-F637 HydrophobicContact CD-CE1 3.65Å; K624-F637 HydrophobicContact CD-CZ 3.72Å; K624-F637 HydrophobicContact CG-CD1 4.2Å; K624-F637 HydrophobicContact CG-CE1 3.74Å; K624-F637 HydrophobicContact CG-CZ 3.99Å |
| 625 | E | 90.9 | Very high | 86.9 | Confident | 110 Ų | 110 | 73.9 Ų | 73.9 | 51% | 0.514 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.2 | 172.9 | -67.8 | -177.9 | 172.5 | 0 | 0 | 110 | I636 | E625-I636 PolarHBondContact N-O 2.95Å; E625-I636 PolarHBondContact O-N 2.97Å |
| 626 | P | 87.9 | Confident | 87.7 | Confident | 83 Ų | 83 | 75.8 Ų | 75.8 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | S | Bend | cis | -66.1 | 156.2 | -7.4 | 28.3 | -36.4 | 0 | 0 | 0 | 113.4 | K624 S628 H635 | K624-P626 PolarHBondContact NZ-O 3.02Å; K624-P626 CarbonylContact O-C 3.59Å; P626-S628 PolarHBondContact O-N 2.86Å; P626-S628 VanDerWaalsContact O-N 3.09Å; P626-H635 VanDerWaalsContact CD-CD2 3.47Å; P626-H635 WeakPolarHBondContact CD-CD2 3.42Å |
| 627 | K | 85.2 | Confident | 88.4 | Confident | 194 Ų | 194 | 69.3 Ų | 69.3 | 84% | 0.843 | 36% | 0.363 | S | S | * | . | trans | -74.3 | 98.6 | 177.3 | -69.7 | 177.6 | -177.4 | 171.4 | 0 | 110.3 | ||||
| 628 | S | 85.6 | Confident | 89 | Confident | 50 Ų | 50 | 65.8 Ų | 65.8 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -146 | 168.7 | 174.3 | 68.9 | 0 | 0 | 0 | 0 | 110.4 | K624 P626 E630 | K624-S628 WeakPolarHBondContact CE-O 3.5Å; K624-S628 PolarHBondContact NZ-O 3.42Å; K624-S628 PolarHBondContact NZ-OG 3.17Å; P626-S628 PolarHBondContact O-N 2.86Å; P626-S628 VanDerWaalsContact O-N 3.09Å; S628-E630 VanDerWaalsContact C-N 3.34Å; S628-E630 PolarHBondContact OG-O 3.24Å |
| 629 | K | 79.8 | Confident | 89.6 | Confident | 183 Ų | 183 | 64.6 Ų | 64.6 | 80% | 0.796 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -78.4 | -22.2 | 174.5 | -69.6 | -175.6 | -179.6 | 174.1 | 0 | 112.9 | ||
| 630 | E | 85.1 | Confident | 89.9 | Confident | 133 Ų | 133 | 64.4 Ų | 64.4 | 62% | 0.621 | 33% | 0.333 | S | S | * | . | trans | -85.5 | 150 | -177.2 | -67.7 | 173.7 | -174.4 | 0 | 0 | 110.8 | K624 S628 H635 | K624-E630 WeakPolarHBondContact CE-O 3.13Å; K624-E630 PolarHBondContact NZ-O 3.07Å; S628-E630 VanDerWaalsContact C-N 3.34Å; S628-E630 PolarHBondContact OG-O 3.24Å; E630-H635 PolarHBondContact O-CE1 3.39Å; E630-H635 PolarHBondContact O-ND1 3.08Å | ||
| 631 | I | 87.5 | Confident | 89.8 | Confident | 23 Ų | 23 | 62.2 Ų | 62.2 | 12% | 0.118 | 33% | 0.329 | C | S | . | . | trans | -119.2 | 122.6 | 177.9 | -61.1 | -171.2 | 0 | 0 | 0 | 107.6 | F591 V606 L609 Q610 K624 H635 F637 | F591-I631 HydrophobicContact CD2-CG2 3.32Å; F591-I631 HydrophobicContact CE2-CG2 3.61Å; F591-I631 HydrophobicContact CG-CG2 4.15Å; V606-I631 HydrophobicContact CG1-CB 4.29Å; V606-I631 HydrophobicContact CG2-CB 4.4Å; V606-I631 HydrophobicContact CG2-CG2 4.34Å; L609-I631 HydrophobicContact CB-CD1 3.44Å; L609-I631 VanDerWaalsContact CB-CD1 3.44Å; Q610-I631 HydrophobicContact CB-CD1 4.36Å; Q610-I631 HydrophobicContact CG-CD1 3.62Å; Q610-I631 HydrophobicContact CG-CG1 4.08Å; K624-I631 HydrophobicContact CD-CG1 4.27Å; I631-H635 WeakPolarHBondContact CA-ND1 3.42Å; I631-F637 HydrophobicContact CD1-CE1 4.37Å; I631-F637 HydrophobicContact CD1-CZ 4.09Å; I631-F637 HydrophobicContact CG1-CZ 4.38Å; I631-F637 HydrophobicContact CG2-CE2 4.49Å; I631-F637 HydrophobicContact CG2-CZ 3.96Å | ||
| 632 | E | 89.6 | Confident | 89.5 | Confident | 110 Ų | 110 | 68.5 Ų | 68.5 | 51% | 0.514 | 36% | 0.358 | S | S | . | . | trans | -128 | 162.4 | -179.2 | -62.2 | 176.5 | -159.2 | 0 | 0 | 108.7 | F591 G634 H635 | F591-E632 WeakPolarHBondContact CB-O 3.46Å; E632-G634 VanDerWaalsContact C-N 3.28Å; E632-G634 PolarHBondContact O-N 3.33Å; E632-H635 PolarHBondContact N-CE1 3.14Å; E632-H635 PolarHBondContact N-ND1 3.24Å; E632-H635 WeakPolarHBondContact O-CB 3.39Å; E632-H635 PolarHBondContact O-N 3.12Å | ||
| 633 | N | 86.8 | Confident | 89.1 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -38.1 | -174.7 | -77.4 | 16.1 | 0 | 0 | 0 | 114.8 | F591 E592 H635 | F591-N633 WeakPolarHBondContact CB-O 3.34Å; E592-N633 HydrophobicContact CG-CB 3.72Å; E592-N633 VanDerWaalsContact OE1-CB 3.27Å; E592-N633 WeakPolarHBondContact OE1-CB 3.26Å; E592-N633 PolarHBondContact OE1-ND2 2.95Å; N633-H635 VanDerWaalsContact C-N 3.33Å; N633-H635 PolarHBondContact O-N 3.07Å |
| 634 | G | 87.8 | Confident | 88.6 | Confident | 60 Ų | 60 | 70 Ų | 70 | 62% | 0.619 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E632 | E632-G634 VanDerWaalsContact C-N 3.28Å; E632-G634 PolarHBondContact O-N 3.33Å |
| 635 | H | 94.7 | Very high | 88.2 | Confident | 9 Ų | 9 | 70.9 Ų | 70.9 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | trans | -71.3 | 132.6 | -176.7 | -69.9 | 172.6 | 0 | 0 | 0 | 111.7 | T590 F591 K624 P626 E630 I631 E632 N633 F637 | T590-H635 CarbonylContact C-O 3.54Å; T590-H635 WeakPolarHBondContact CA-O 3.42Å; F591-H635 PolarHBondContact N-O 3.42Å; K624-H635 HydrophobicContact CD-CB 4.2Å; K624-H635 HydrophobicContact CG-CB 4.16Å; K624-H635 PolarHBondContact NZ-CE1 3.27Å; K624-H635 VanDerWaalsContact NZ-CE1 3.32Å; K624-H635 PolarHBondContact NZ-ND1 3.16Å; K624-H635 VanDerWaalsContact NZ-ND1 3.12Å; P626-H635 VanDerWaalsContact CD-CD2 3.47Å; P626-H635 WeakPolarHBondContact CD-CD2 3.42Å; E630-H635 PolarHBondContact O-CE1 3.39Å; E630-H635 PolarHBondContact O-ND1 3.08Å; I631-H635 WeakPolarHBondContact CA-ND1 3.42Å; E632-H635 PolarHBondContact N-CE1 3.14Å; E632-H635 PolarHBondContact N-ND1 3.24Å; E632-H635 WeakPolarHBondContact O-CB 3.39Å; E632-H635 PolarHBondContact O-N 3.12Å; N633-H635 VanDerWaalsContact C-N 3.33Å; N633-H635 PolarHBondContact O-N 3.07Å; H635-F637 HydrophobicContact CB-CE2 4.07Å; H635-F637 HydrophobicContact CB-CZ 4.34Å; H635-F637 WeakPolarHBondContact O-CE2 3.16Å | ||
| 636 | I | 94.5 | Very high | 88 | Confident | 61 Ų | 61 | 76 Ų | 76 | 31% | 0.313 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 135.4 | -179.4 | -58.7 | 172.7 | 0 | 0 | 0 | 109.4 | K588 Y589 T590 K624 E625 T638 | K588-I636 HydrophobicContact CB-CG2 4.18Å; K588-I636 HydrophobicContact CD-CG2 4.5Å; Y589-I636 WeakPolarHBondContact O-CA 3.3Å; T590-I636 HydrophobicContact CG2-CG1 4.18Å; K624-I636 CarbonylContact C-O 3.25Å; K624-I636 WeakPolarHBondContact CA-O 3.41Å; E625-I636 PolarHBondContact N-O 2.95Å; E625-I636 PolarHBondContact O-N 2.97Å; I636-T638 HydrophobicContact CG2-CG2 4.4Å |
| 637 | F | 96 | Very high | 87.9 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138.6 | 177.7 | -62.2 | -91.5 | 0 | 0 | 0 | 110.6 | F583 K588 Y589 F591 I594 L609 A613 T623 K624 I631 H635 | F583-F637 WeakPolarHBondContact CE1-O 3.12Å; F583-F637 HydrophobicContact CZ-CB 3.96Å; K588-F637 WeakPolarHBondContact CA-O 3.29Å; Y589-F637 PolarHBondContact N-O 2.99Å; Y589-F637 VanDerWaalsContact N-O 3.12Å; Y589-F637 PolarHBondContact O-N 2.85Å; F591-F637 HydrophobicContact CB-CE2 4.17Å; I594-F637 HydrophobicContact CD1-CB 4.24Å; I594-F637 HydrophobicContact CD1-CD2 3.92Å; I594-F637 HydrophobicContact CD1-CG 4.26Å; L609-F637 HydrophobicContact CB-CE1 4.09Å; L609-F637 HydrophobicContact CB-CZ 4.21Å; L609-F637 HydrophobicContact CD1-CE1 4.38Å; L609-F637 HydrophobicContact CD1-CE2 3.97Å; L609-F637 HydrophobicContact CD1-CZ 3.88Å; L609-F637 HydrophobicContact CD2-CD1 4.04Å; L609-F637 HydrophobicContact CD2-CE1 4.06Å; L609-F637 HydrophobicContact CD2-CG 4.28Å; L609-F637 HydrophobicContact CD2-CZ 4.35Å; L609-F637 HydrophobicContact CG-CE1 4.42Å; L609-F637 HydrophobicContact CG-CZ 4.39Å; A613-F637 HydrophobicContact CB-CD1 4.05Å; A613-F637 HydrophobicContact CB-CE1 3.97Å; T623-F637 VanDerWaalsContact O-CA 3.3Å; T623-F637 WeakPolarHBondContact O-CA 3.22Å; K624-F637 HydrophobicContact CB-CD1 4.19Å; K624-F637 HydrophobicContact CB-CE1 4.03Å; K624-F637 HydrophobicContact CD-CE1 3.65Å; K624-F637 HydrophobicContact CD-CZ 3.72Å; K624-F637 HydrophobicContact CG-CD1 4.2Å; K624-F637 HydrophobicContact CG-CE1 3.74Å; K624-F637 HydrophobicContact CG-CZ 3.99Å; I631-F637 HydrophobicContact CD1-CE1 4.37Å; I631-F637 HydrophobicContact CD1-CZ 4.09Å; I631-F637 HydrophobicContact CG1-CZ 4.38Å; I631-F637 HydrophobicContact CG2-CE2 4.49Å; I631-F637 HydrophobicContact CG2-CZ 3.96Å; H635-F637 HydrophobicContact CB-CE2 4.07Å; H635-F637 HydrophobicContact CB-CZ 4.34Å; H635-F637 WeakPolarHBondContact O-CE2 3.16Å |
| 638 | T | 94 | Very high | 88.1 | Confident | 23 Ų | 23 | 73.9 Ų | 73.9 | 14% | 0.141 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 159.4 | 177.5 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | K588 L622 T623 I636 | K588-T638 HydrophobicContact CB-CG2 3.97Å; K588-T638 HydrophobicContact CD-CG2 3.76Å; K588-T638 HydrophobicContact CG-CG2 3.53Å; L622-T638 CarbonylContact C-O 3.55Å; L622-T638 VanDerWaalsContact CA-O 3.26Å; L622-T638 WeakPolarHBondContact CA-O 3.33Å; L622-T638 WeakPolarHBondContact CD2-O 3.3Å; T623-T638 PolarHBondContact N-O 3.3Å; T623-T638 PolarHBondContact O-N 2.81Å; T623-T638 PolarHBondContact OG1-O 2.97Å; T623-T638 PolarHBondContact OG1-OG1 3.47Å; I636-T638 HydrophobicContact CG2-CG2 4.4Å |
| 639 | V | 93.2 | Very high | 88.3 | Confident | 50 Ų | 50 | 78 Ų | 78 | 30% | 0.303 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 133 | 174.8 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | F541 F583 L622 D641 | F541-V639 HydrophobicContact CD1-CG1 4.2Å; F541-V639 HydrophobicContact CE1-CG1 4.15Å; F583-V639 HydrophobicContact CB-CG2 3.64Å; F583-V639 HydrophobicContact CD1-CG2 3.77Å; F583-V639 HydrophobicContact CG-CG2 3.81Å; L622-V639 HydrophobicContact CD2-CG2 4.42Å; V639-D641 PolarHBondContact O-N 3.2Å |
| 640 | N | 91.3 | Very high | 88.8 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 13% | 0.134 | 36% | 0.355 | C | S | . | . | trans | -86 | 84.3 | 174.6 | -177.3 | 14.6 | 0 | 0 | 0 | 110.6 | R620 V621 T623 Q642 F643 | R620-N640 PolarHBondContact O-ND2 2.7Å; V621-N640 WeakPolarHBondContact O-CB 3.37Å; V621-N640 PolarHBondContact O-N 3.04Å; T623-N640 HydrophobicContact CG2-CB 4.01Å; N640-Q642 PolarHBondContact O-N 3.21Å; N640-Q642 VanDerWaalsContact O-N 3.07Å; N640-Q642 WeakPolarHBondContact OD1-CB 3.34Å; N640-Q642 PolarHBondContact OD1-N 2.92Å; N640-F643 WeakPolarHBondContact O-CB 3.23Å; N640-F643 PolarHBondContact O-N 3.03Å | ||
| 641 | D | 86.8 | Confident | 89 | Confident | 57 Ų | 57 | 68.1 Ų | 68.1 | 31% | 0.305 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -12.8 | 176.3 | -84.2 | -58.8 | 0 | 0 | 0 | 114.1 | Y542 G543 V639 F643 | Y542-D641 PolarHBondContact N-OD1 3.47Å; G543-D641 WeakPolarHBondContact CA-O 3.42Å; V639-D641 PolarHBondContact O-N 3.2Å; D641-F643 VanDerWaalsContact C-N 3.28Å |
| 642 | Q | 83.3 | Confident | 89 | Confident | 137 Ų | 137 | 67.3 Ų | 67.3 | 64% | 0.64 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -2.1 | 173 | -56.9 | -177 | -4 | 0 | 0 | 113.2 | N640 T644 | N640-Q642 PolarHBondContact O-N 3.21Å; N640-Q642 VanDerWaalsContact O-N 3.07Å; N640-Q642 WeakPolarHBondContact OD1-CB 3.34Å; N640-Q642 PolarHBondContact OD1-N 2.92Å; Q642-T644 PolarHBondContact O-N 3.46Å |
| 643 | F | 86.2 | Confident | 88.6 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | trans | -53.3 | 135.5 | 180 | 176.2 | -102.1 | 0 | 0 | 0 | 112.1 | F541 R566 H568 L570 T618 R620 V621 N640 D641 V650 | F541-F643 HydrophobicContact CD1-CB 4.22Å; F541-F643 HydrophobicContact CD2-CD1 4.18Å; F541-F643 HydrophobicContact CE1-CB 4.05Å; F541-F643 HydrophobicContact CE1-CD1 4.27Å; F541-F643 HydrophobicContact CE1-CG 4.43Å; F541-F643 AromaticContact CE2-CD1 3.67Å; F541-F643 HydrophobicContact CE2-CD1 3.67Å; F541-F643 HydrophobicContact CE2-CE1 4.24Å; F541-F643 HydrophobicContact CZ-CB 4.34Å; F541-F643 AromaticContact CZ-CD1 3.71Å; F541-F643 HydrophobicContact CZ-CD1 3.71Å; F541-F643 HydrophobicContact CZ-CE1 4.41Å; F541-F643 HydrophobicContact CZ-CG 4.24Å; R566-F643 PolarHBondContact NH1-O 3.3Å; H568-F643 AromaticContact CD2-CE1 3.8Å; L570-F643 HydrophobicContact CD2-CE1 4.49Å; T618-F643 WeakPolarHBondContact O-CE2 3.46Å; R620-F643 WeakPolarHBondContact O-CD2 3.48Å; V621-F643 HydrophobicContact CG2-CE2 4.36Å; N640-F643 WeakPolarHBondContact O-CB 3.23Å; N640-F643 PolarHBondContact O-N 3.03Å; D641-F643 VanDerWaalsContact C-N 3.28Å; F643-V650 HydrophobicContact CE1-CG2 4.44Å; F643-V650 HydrophobicContact CZ-CG1 4.18Å; F643-V650 HydrophobicContact CZ-CG2 4.25Å | ||
| 644 | T | 81.9 | Confident | 87.8 | Confident | 79 Ų | 79 | 67.6 Ų | 67.6 | 49% | 0.485 | 35% | 0.346 | S | S | . | . | trans | -141.5 | 143.7 | 176 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | Q642 | Q642-T644 PolarHBondContact O-N 3.46Š| ||
| 645 | S | 84.8 | Confident | 86.6 | Confident | 29 Ų | 29 | 68.3 Ų | 68.3 | 20% | 0.203 | 34% | 0.339 | C | S | . | . | trans | -143.7 | 144.5 | 172 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | L647 V650 | S645-L647 PolarHBondContact O-N 2.9Å; S645-L647 PolarHBondContact OG-N 3.37Å; S645-L647 VanDerWaalsContact OG-N 3.12Å; S645-L647 PolarHBondContact OG-O 3.01Å; S645-V650 WeakPolarHBondContact OG-CG2 3.46Å | ||
| 646 | K | 85.8 | Confident | 84.7 | Confident | 217 Ų | 217 | 71 Ų | 71 | 94% | 0.943 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -67.8 | -18.7 | 171 | -64.4 | -174.5 | 178.5 | -175.5 | 0 | 112.3 | ||
| 647 | L | 86.6 | Confident | 82.5 | Confident | 115 Ų | 115 | 71 Ų | 71 | 60% | 0.602 | 37% | 0.372 | S | S | * | . | trans | -103.2 | 133 | -178.5 | -58.6 | 176.8 | 0 | 0 | 0 | 110.2 | H568 S645 R649 V650 | H568-L647 PolarHBondContact ND1-O 2.83Å; S645-L647 PolarHBondContact O-N 2.9Å; S645-L647 PolarHBondContact OG-N 3.37Å; S645-L647 VanDerWaalsContact OG-N 3.12Å; S645-L647 PolarHBondContact OG-O 3.01Å; L647-R649 WeakPolarHBondContact CB-O 3.34Å; L647-V650 VanDerWaalsContact O-CG2 3.26Å; L647-V650 WeakPolarHBondContact O-CG2 3.46Å | ||
| 648 | H | 88 | Confident | 80.1 | Confident | 118 Ų | 118 | 80 Ų | 80 | 55% | 0.546 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -64.3 | -42.6 | 172.2 | 179.4 | -102.8 | 0 | 0 | 0 | 111.4 | K567 H568 I569 | K567-H648 PolarHBondContact O-CD2 2.88Å; H568-H648 CarbonylContact C-O 3.56Å; H568-H648 VanDerWaalsContact CA-O 3.32Å; H568-H648 WeakPolarHBondContact CA-O 3.49Å; H568-H648 PolarHBondContact ND1-O 3.45Å; I569-H648 PolarHBondContact N-O 3.15Å |
| 649 | R | 91.1 | Very high | 78.1 | Confident | 138 Ų | 138 | 86.4 Ų | 86.4 | 52% | 0.521 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 113.3 | 172.5 | -172.4 | 173.3 | -72 | 179.3 | -2.5 | 109.5 | I569 Q571 L647 | I569-R649 HydrophobicContact CB-CB 4.36Å; I569-R649 HydrophobicContact CB-CG 4.18Å; I569-R649 HydrophobicContact CG2-CG 4.19Å; I569-R649 CarbonylContact O-C 3.55Å; I569-R649 WeakPolarHBondContact O-CA 3.48Å; Q571-R649 HydrophobicContact CG-CG 3.76Å; L647-R649 WeakPolarHBondContact CB-O 3.34Å |
| 650 | V | 90.1 | Very high | 76.6 | Confident | 5 Ų | 5 | 84.9 Ų | 84.9 | 3% | 0.03 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 120.7 | -175.5 | -170.7 | 0 | 0 | 0 | 0 | 109.5 | H568 I569 L570 Q571 F643 S645 L647 I652 | H568-V650 HydrophobicContact CB-CG2 4.47Å; I569-V650 PolarHBondContact O-N 2.78Å; L570-V650 WeakPolarHBondContact CA-O 3.48Å; L570-V650 HydrophobicContact CD2-CB 4.11Å; Q571-V650 PolarHBondContact N-O 2.75Å; F643-V650 HydrophobicContact CE1-CG2 4.44Å; F643-V650 HydrophobicContact CZ-CG1 4.18Å; F643-V650 HydrophobicContact CZ-CG2 4.25Å; S645-V650 WeakPolarHBondContact OG-CG2 3.46Å; L647-V650 VanDerWaalsContact O-CG2 3.26Å; L647-V650 WeakPolarHBondContact O-CG2 3.46Å; V650-I652 HydrophobicContact CG1-CD1 3.84Å |
| 651 | K | 89.1 | Confident | 75.7 | Confident | 103 Ų | 103 | 84.9 Ų | 84.9 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 113.1 | 172.9 | -173.7 | 168 | -171.9 | 157.5 | 0 | 110.5 | Q571 Q619 Q653 | Q571-K651 HydrophobicContact CB-CB 4.44Å; Q571-K651 HydrophobicContact CB-CG 4.4Å; Q619-K651 PolarHBondContact NE2-O 2.95Å; K651-Q653 HydrophobicContact CG-CG 4.43Å; K651-Q653 PolarHBondContact O-N 3.13Å |
| 652 | I | 87.9 | Confident | 74.9 | Confident | 6 Ų | 6 | 83.9 Ų | 83.9 | 3% | 0.031 | 43% | 0.43 | C | S | . | . | trans | -86 | 102.8 | 173.5 | -49 | -56.7 | 0 | 0 | 0 | 107.3 | Q571 V572 L612 Q619 V621 V650 T654 | Q571-I652 PolarHBondContact O-N 3.26Å; V572-I652 HydrophobicContact CG1-CB 4.05Å; V572-I652 HydrophobicContact CG1-CG1 3.92Å; L612-I652 HydrophobicContact CD2-CG2 4.13Å; Q619-I652 HydrophobicContact CB-CD1 3.98Å; Q619-I652 HydrophobicContact CG-CD1 4.21Å; V621-I652 HydrophobicContact CG2-CD1 3.86Å; V621-I652 HydrophobicContact CG2-CG1 4.35Å; V650-I652 HydrophobicContact CG1-CD1 3.84Å; I652-T654 PolarHBondContact O-N 3.49Å | ||
| 653 | Q | 79.8 | Confident | 74.5 | Confident | 118 Ų | 118 | 81.4 Ų | 81.4 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | trans | -74.2 | 123.6 | 178.2 | -65 | -175.1 | 6.9 | 0 | 0 | 108.4 | S611 K651 | S611-Q653 WeakPolarHBondContact CB-O 3.36Å; K651-Q653 HydrophobicContact CG-CG 4.43Å; K651-Q653 PolarHBondContact O-N 3.13Å | ||
| 654 | T | 70.1 | Confident | 74.1 | Confident | 67 Ų | 67 | 85.7 Ų | 85.7 | 41% | 0.411 | 45% | 0.45 | S | S | . | . | trans | -55.2 | 149 | 163.8 | 42.5 | 0 | 0 | 0 | 0 | 109.1 | I652 A656 | I652-T654 PolarHBondContact O-N 3.49Å; T654-A656 PolarHBondContact O-N 3.31Å | ||
| 655 | V | 63.2 | Low | 73.9 | Confident | 76 Ų | 76 | 83.7 Ų | 83.7 | 46% | 0.461 | 44% | 0.435 | S | S | . | . | trans | -67.2 | 86 | 173.2 | -176 | 0 | 0 | 0 | 0 | 107.5 | Q610 | Q610-V655 HydrophobicContact CB-CG2 4.14Š| ||
| 656 | A | 54.5 | Low | 73.8 | Confident | 64 Ų | 64 | 84.4 Ų | 84.4 | 53% | 0.529 | 43% | 0.433 | S | S | . | . | trans | -77.9 | 141.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109 | T654 K658 | T654-A656 PolarHBondContact O-N 3.31Å; A656-K658 PolarHBondContact O-N 2.79Å | ||
| 657 | A | 48.6 | Very low | 73.7 | Confident | 63 Ų | 63 | 81.8 Ų | 81.8 | 52% | 0.521 | 42% | 0.422 | S | S | . | . | trans | -58.4 | 107.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q659 G660 | A657-Q659 PolarHBondContact O-N 2.95Å; A657-Q659 VanDerWaalsContact O-N 3.14Å; A657-G660 WeakPolarHBondContact CB-O 3.31Å | ||
| 658 | K | 45.4 | Very low | 73.7 | Confident | 187 Ų | 187 | 80.8 Ų | 80.8 | 81% | 0.813 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -71.1 | -0.9 | -177.4 | -76.5 | -177.3 | 176.9 | 177.7 | 0 | 113.2 | A656 | A656-K658 PolarHBondContact O-N 2.79Š|
| 659 | Q | 51.9 | Low | 73.6 | Confident | 159 Ų | 159 | 75.6 Ų | 75.6 | 74% | 0.743 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -141.5 | 64.6 | -168.6 | -68.9 | 179.7 | -16.1 | 0 | 0 | 111.7 | A657 | A657-Q659 PolarHBondContact O-N 2.95Å; A657-Q659 VanDerWaalsContact O-N 3.14Å |
| 660 | G | 63 | Low | 73.4 | Confident | 18 Ų | 18 | 72.6 Ų | 72.6 | 19% | 0.186 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 68.4 | -163.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A657 | A657-G660 WeakPolarHBondContact CB-O 3.31Š|
| 661 | E | 71.8 | Confident | 73.4 | Confident | 24 Ų | 24 | 77 Ų | 77 | 11% | 0.112 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -67.7 | 147.8 | 172 | -73.5 | -173.1 | 163 | 0 | 0 | 110.1 | Y409 Q412 E665 R666 T669 | Y409-E661 HydrophobicContact CE1-CG 4.4Å; Y409-E661 WeakPolarHBondContact CE1-OE2 3.15Å; Q412-E661 PolarHBondContact NE2-OE1 2.89Å; Q412-E661 PolarHBondContact OE1-OE1 2.79Å; Q412-E661 VanDerWaalsContact OE1-OE1 3.05Å; E661-E665 HydrophobicContact CB-CB 3.84Å; E661-E665 HydrophobicContact CG-CB 4.21Å; E661-R666 HydrophobicContact CB-CG 3.57Å; E661-R666 PolarHBondContact O-NE 2.85Å; E661-R666 PolarHBondContact O-NH2 3.01Å; E661-T669 VanDerWaalsContact CD-OG1 3.28Å; E661-T669 PolarHBondContact OE1-OG1 3.17Å; E661-T669 VanDerWaalsContact OE1-OG1 3.04Å; E661-T669 WeakPolarHBondContact OE2-CB 3.31Å; E661-T669 PolarHBondContact OE2-OG1 3.3Å |
| 662 | S | 69.9 | Low | 73.3 | Confident | 36 Ų | 36 | 74.4 Ų | 74.4 | 25% | 0.252 | 39% | 0.388 | S | S | . | . | trans | -68.7 | 159.5 | 168.6 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | P664 E665 R666 | S662-P664 VanDerWaalsContact C-CD 3.45Å; S662-P664 VanDerWaalsContact C-N 3.31Å; S662-E665 PolarHBondContact N-OE2 3.32Å; S662-E665 WeakPolarHBondContact O-CB 3.48Å; S662-E665 PolarHBondContact O-N 3.16Å; S662-E665 WeakPolarHBondContact OG-CG 3.26Å; S662-E665 PolarHBondContact OG-OE2 3.36Å; S662-R666 PolarHBondContact O-N 2.68Å | ||
| 663 | D | 74.6 | Confident | 73.5 | Confident | 85 Ų | 85 | 74.4 Ų | 74.4 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -53.4 | -40.2 | -179.3 | -68.1 | -20.4 | 0 | 0 | 0 | 114.1 | R666 K667 | D663-R666 PolarHBondContact O-N 3.37Å; D663-R666 IonicContact OD1-CZ 3.92Å; D663-R666 VanDerWaalsContact OD1-CZ 3.23Å; D663-R666 IonicContact OD1-NH1 3.87Å; D663-R666 PolarHBondContact OD1-NH1 3.35Å; D663-R666 IonicContact OD1-NH2 3.94Å; D663-R666 PolarHBondContact OD1-NH2 3.41Å; D663-K667 WeakPolarHBondContact O-CG 3.22Å; D663-K667 PolarHBondContact O-N 3.44Å; D663-K667 VanDerWaalsContact O-N 3.08Å |
| 664 | P | 77.9 | Confident | 74 | Confident | 93 Ų | 93 | 71.4 Ų | 71.4 | 60% | 0.604 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | 173.6 | -22.7 | 35 | 0 | 0 | 0 | 113.2 | S662 K667 E668 | S662-P664 VanDerWaalsContact C-CD 3.45Å; S662-P664 VanDerWaalsContact C-N 3.31Å; P664-K667 PolarHBondContact O-N 2.96Å; P664-E668 PolarHBondContact O-N 3.36Å |
| 665 | E | 77.4 | Confident | 74.9 | Confident | 37 Ų | 37 | 70.8 Ų | 70.8 | 17% | 0.173 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 178 | -73.1 | 161.3 | 174.8 | 0 | 0 | 111 | R603 R607 E661 S662 K667 E668 T669 | R603-E665 IonicContact CZ-OE1 2.69Å; R603-E665 IonicContact NH1-OE1 3.82Å; R603-E665 IonicContact NH2-OE1 3.64Å; R603-E665 PolarHBondContact NH2-OE1 3.22Å; R607-E665 IonicContact NH2-OE1 3.62Å; R607-E665 PolarHBondContact NH2-OE1 3.42Å; E661-E665 HydrophobicContact CB-CB 3.84Å; E661-E665 HydrophobicContact CG-CB 4.21Å; S662-E665 PolarHBondContact N-OE2 3.32Å; S662-E665 WeakPolarHBondContact O-CB 3.48Å; S662-E665 PolarHBondContact O-N 3.16Å; S662-E665 WeakPolarHBondContact OG-CG 3.26Å; S662-E665 PolarHBondContact OG-OE2 3.36Å; E665-K667 PolarHBondContact O-N 3.46Å; E665-E668 WeakPolarHBondContact O-CB 3.37Å; E665-E668 PolarHBondContact O-N 3.43Å; E665-T669 PolarHBondContact O-N 2.79Å; E665-T669 PolarHBondContact O-OG1 2.94Å |
| 666 | R | 83 | Confident | 76.2 | Confident | 44 Ų | 44 | 70.8 Ų | 70.8 | 17% | 0.166 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 175.3 | -69.8 | -173.2 | -134.5 | 129.2 | 13.5 | 112.1 | R361 E364 E661 S662 D663 E668 T669 R670 | R361-R666 VanDerWaalsContact NH2-NH1 3.17Å; E364-R666 IonicContact OE1-NE 3.82Å; E364-R666 WeakPolarHBondContact OE2-CD 3.19Å; E364-R666 IonicContact OE2-NE 3.38Å; E661-R666 HydrophobicContact CB-CG 3.57Å; E661-R666 PolarHBondContact O-NE 2.85Å; E661-R666 PolarHBondContact O-NH2 3.01Å; S662-R666 PolarHBondContact O-N 2.68Å; D663-R666 PolarHBondContact O-N 3.37Å; D663-R666 IonicContact OD1-CZ 3.92Å; D663-R666 VanDerWaalsContact OD1-CZ 3.23Å; D663-R666 IonicContact OD1-NH1 3.87Å; D663-R666 PolarHBondContact OD1-NH1 3.35Å; D663-R666 IonicContact OD1-NH2 3.94Å; D663-R666 PolarHBondContact OD1-NH2 3.41Å; R666-E668 VanDerWaalsContact C-N 3.32Å; R666-E668 PolarHBondContact O-N 3.26Å; R666-T669 PolarHBondContact O-N 3.02Å; R666-R670 WeakPolarHBondContact O-CB 3.44Å; R666-R670 PolarHBondContact O-N 3.25Å |
| 667 | K | 84.4 | Confident | 78.1 | Confident | 162 Ų | 162 | 69 Ų | 69 | 70% | 0.704 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.4 | -41.8 | 175.2 | -74.7 | -178.9 | -177.3 | -178.9 | 0 | 111.3 | D663 P664 E665 R670 Q671 | D663-K667 WeakPolarHBondContact O-CG 3.22Å; D663-K667 PolarHBondContact O-N 3.44Å; D663-K667 VanDerWaalsContact O-N 3.08Å; P664-K667 PolarHBondContact O-N 2.96Å; E665-K667 PolarHBondContact O-N 3.46Å; K667-R670 PolarHBondContact O-N 3.27Å; K667-Q671 WeakPolarHBondContact O-CB 3.33Å; K667-Q671 PolarHBondContact O-N 3.4Å |
| 668 | E | 85.1 | Confident | 80.2 | Confident | 94 Ų | 94 | 69.7 Ų | 69.7 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 175.6 | -169.6 | -169.4 | 161 | 0 | 0 | 111.7 | P664 E665 R666 R670 Q671 K672 | P664-E668 PolarHBondContact O-N 3.36Å; E665-E668 WeakPolarHBondContact O-CB 3.37Å; E665-E668 PolarHBondContact O-N 3.43Å; R666-E668 VanDerWaalsContact C-N 3.32Å; R666-E668 PolarHBondContact O-N 3.26Å; E668-R670 VanDerWaalsContact C-N 3.32Å; E668-R670 PolarHBondContact O-N 3.42Å; E668-Q671 PolarHBondContact O-N 2.88Å; E668-K672 WeakPolarHBondContact O-CG 3.39Å; E668-K672 PolarHBondContact O-N 3.05Å; E668-K672 VanDerWaalsContact OE1-CE 3.25Å; E668-K672 WeakPolarHBondContact OE1-CE 3.35Å; E668-K672 IonicContact OE1-NZ 2.88Å; E668-K672 PolarHBondContact OE1-NZ 2.89Å |
| 669 | T | 85.9 | Confident | 82.5 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 176.1 | -67.6 | 0 | 0 | 0 | 0 | 111 | R408 Y409 E661 E665 R666 K672 V673 | R408-T669 HydrophobicContact CG-CG2 3.79Å; Y409-T669 HydrophobicContact CE1-CG2 4.02Å; Y409-T669 HydrophobicContact CE2-CG2 4.44Å; E661-T669 VanDerWaalsContact CD-OG1 3.28Å; E661-T669 PolarHBondContact OE1-OG1 3.17Å; E661-T669 VanDerWaalsContact OE1-OG1 3.04Å; E661-T669 WeakPolarHBondContact OE2-CB 3.31Å; E661-T669 PolarHBondContact OE2-OG1 3.3Å; E665-T669 PolarHBondContact O-N 2.79Å; E665-T669 PolarHBondContact O-OG1 2.94Å; R666-T669 PolarHBondContact O-N 3.02Å; T669-K672 PolarHBondContact O-N 3.24Å; T669-V673 WeakPolarHBondContact O-CG2 3.45Å; T669-V673 PolarHBondContact O-N 2.84Å; T669-V673 VanDerWaalsContact O-N 3.12Å |
| 670 | R | 88.1 | Confident | 84.5 | Confident | 76 Ų | 76 | 61.2 Ų | 61.2 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | 176.8 | -172.2 | 66.2 | 174.9 | -144.1 | 7.5 | 111.9 | E402 R666 K667 E668 K672 V673 D674 | E402-R670 VanDerWaalsContact CD-NH2 3.27Å; E402-R670 IonicContact OE1-CZ 2.72Å; E402-R670 IonicContact OE1-NH1 3.23Å; E402-R670 IonicContact OE1-NH2 3.89Å; E402-R670 PolarHBondContact OE1-NH2 3.37Å; E402-R670 IonicContact OE2-CZ 3.63Å; E402-R670 VanDerWaalsContact OE2-CZ 3.27Å; E402-R670 IonicContact OE2-NH1 2.66Å; E402-R670 PolarHBondContact OE2-NH1 3Å; E402-R670 IonicContact OE2-NH2 2.67Å; E402-R670 PolarHBondContact OE2-NH2 3.17Å; R666-R670 WeakPolarHBondContact O-CB 3.44Å; R666-R670 PolarHBondContact O-N 3.25Å; K667-R670 PolarHBondContact O-N 3.27Å; E668-R670 VanDerWaalsContact C-N 3.32Å; E668-R670 PolarHBondContact O-N 3.42Å; R670-K672 VanDerWaalsContact C-N 3.3Å; R670-K672 PolarHBondContact O-N 3.24Å; R670-V673 PolarHBondContact O-N 3.45Å; R670-V673 VanDerWaalsContact O-N 3.12Å; R670-D674 PolarHBondContact O-N 2.9Å |
| 671 | Q | 89.1 | Confident | 86 | Confident | 98 Ų | 98 | 60.4 Ų | 60.4 | 46% | 0.458 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 178.5 | -176.9 | 57.7 | 51.2 | 0 | 0 | 111.6 | K667 E668 V673 D674 D675 | K667-Q671 WeakPolarHBondContact O-CB 3.33Å; K667-Q671 PolarHBondContact O-N 3.4Å; E668-Q671 PolarHBondContact O-N 2.88Å; Q671-V673 PolarHBondContact O-N 3.22Å; Q671-D674 PolarHBondContact O-N 2.82Å; Q671-D675 PolarHBondContact NE2-OD1 3.31Å; Q671-D675 VanDerWaalsContact NE2-OD1 3.13Å; Q671-D675 PolarHBondContact NE2-OD2 2.98Å; Q671-D675 VanDerWaalsContact O-CG 3.28Å; Q671-D675 PolarHBondContact O-N 3.03Å |
| 672 | K | 88.2 | Confident | 87.2 | Confident | 48 Ų | 48 | 60.3 Ų | 60.3 | 21% | 0.209 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 176 | -73.4 | 176.1 | -176.1 | 169.1 | 0 | 112.4 | E668 T669 R670 D675 D676 | E668-K672 WeakPolarHBondContact O-CG 3.39Å; E668-K672 PolarHBondContact O-N 3.05Å; E668-K672 VanDerWaalsContact OE1-CE 3.25Å; E668-K672 WeakPolarHBondContact OE1-CE 3.35Å; E668-K672 IonicContact OE1-NZ 2.88Å; E668-K672 PolarHBondContact OE1-NZ 2.89Å; T669-K672 PolarHBondContact O-N 3.24Å; R670-K672 VanDerWaalsContact C-N 3.3Å; R670-K672 PolarHBondContact O-N 3.24Å; K672-D675 PolarHBondContact O-N 3.23Å; K672-D676 PolarHBondContact O-N 3.08Å |
| 673 | V | 91.2 | Very high | 88.3 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 4% | 0.036 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.5 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | V405 R408 T669 R670 Q671 D675 D676 R677 | V405-V673 HydrophobicContact CG2-CG1 3.87Å; R408-V673 HydrophobicContact CB-CG2 4.04Å; R408-V673 HydrophobicContact CG-CG2 4.09Å; T669-V673 WeakPolarHBondContact O-CG2 3.45Å; T669-V673 PolarHBondContact O-N 2.84Å; T669-V673 VanDerWaalsContact O-N 3.12Å; R670-V673 PolarHBondContact O-N 3.45Å; R670-V673 VanDerWaalsContact O-N 3.12Å; Q671-V673 PolarHBondContact O-N 3.22Å; V673-D675 VanDerWaalsContact C-N 3.29Å; V673-D675 PolarHBondContact O-N 3.43Å; V673-D676 PolarHBondContact O-N 3.43Å; V673-R677 HydrophobicContact CG1-CG 4.41Å; V673-R677 VanDerWaalsContact O-CG 3.3Å; V673-R677 WeakPolarHBondContact O-CG 3.35Å; V673-R677 PolarHBondContact O-N 2.79Å |
| 674 | D | 90 | Very high | 89.3 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.9 | -31.7 | 178.4 | -70.7 | -29.9 | 0 | 0 | 0 | 112.7 | R670 Q671 R677 K678 | R670-D674 PolarHBondContact O-N 2.9Å; Q671-D674 PolarHBondContact O-N 2.82Å; D674-R677 IonicContact OD1-CZ 2.91Å; D674-R677 IonicContact OD1-NH1 2.61Å; D674-R677 PolarHBondContact OD1-NH1 3.48Å; D674-K678 WeakPolarHBondContact O-CG 3.41Å; D674-K678 PolarHBondContact O-N 3.4Å |
| 675 | D | 90.6 | Very high | 90.2 | Very high | 54 Ų | 54 | 52.4 Ų | 52.4 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.7 | -42.3 | 171.7 | -69.4 | -31.6 | 0 | 0 | 0 | 112 | Q671 K672 V673 R677 K678 H679 | Q671-D675 PolarHBondContact NE2-OD1 3.31Å; Q671-D675 VanDerWaalsContact NE2-OD1 3.13Å; Q671-D675 PolarHBondContact NE2-OD2 2.98Å; Q671-D675 VanDerWaalsContact O-CG 3.28Å; Q671-D675 PolarHBondContact O-N 3.03Å; K672-D675 PolarHBondContact O-N 3.23Å; V673-D675 VanDerWaalsContact C-N 3.29Å; V673-D675 PolarHBondContact O-N 3.43Å; D675-R677 PolarHBondContact O-N 3.31Å; D675-K678 WeakPolarHBondContact O-CB 3.41Å; D675-K678 PolarHBondContact O-N 3.22Å; D675-K678 IonicContact OD1-NZ 2.74Å; D675-K678 PolarHBondContact OD1-NZ 3.1Å; D675-H679 PolarHBondContact O-CE1 3.41Å; D675-H679 PolarHBondContact O-ND1 3.35Å |
| 676 | D | 90.1 | Very high | 91.1 | Very high | 75 Ų | 75 | 52 Ų | 52 | 40% | 0.401 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 174.1 | -74.2 | -17.5 | 0 | 0 | 0 | 110.9 | K672 V673 K678 H679 E680 | K672-D676 PolarHBondContact O-N 3.08Å; V673-D676 PolarHBondContact O-N 3.43Å; D676-K678 VanDerWaalsContact C-N 3.26Å; D676-K678 PolarHBondContact O-N 3.45Å; D676-H679 PolarHBondContact O-N 3.3Å; D676-H679 VanDerWaalsContact O-N 3.1Å; D676-E680 WeakPolarHBondContact O-CG 3.21Å; D676-E680 PolarHBondContact O-N 3.16Å |
| 677 | R | 94.1 | Very high | 91.7 | Very high | 27 Ų | 27 | 56 Ų | 56 | 10% | 0.102 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.7 | -36.9 | 176.7 | -74.6 | 173.6 | 174.8 | 177.9 | -6.8 | 112.9 | E402 D404 V673 D674 D675 H679 E680 I681 F712 | E402-R677 IonicContact OE1-CZ 3.86Å; E402-R677 IonicContact OE1-NH1 3.91Å; E402-R677 PolarHBondContact OE1-NH1 2.77Å; E402-R677 IonicContact OE1-NH2 3.27Å; E402-R677 PolarHBondContact OE1-NH2 2.82Å; D404-R677 IonicContact OD1-CZ 3.87Å; D404-R677 IonicContact OD1-NE 2.63Å; D404-R677 IonicContact OD1-NH2 2.72Å; D404-R677 PolarHBondContact OD1-NH2 2.9Å; D404-R677 WeakPolarHBondContact OD2-CG 3.26Å; D404-R677 IonicContact OD2-CZ 2.85Å; D404-R677 IonicContact OD2-NE 3.82Å; D404-R677 PolarHBondContact OD2-NE 2.79Å; D404-R677 IonicContact OD2-NH2 2.91Å; D404-R677 PolarHBondContact OD2-NH2 3.43Å; V673-R677 HydrophobicContact CG1-CG 4.41Å; V673-R677 VanDerWaalsContact O-CG 3.3Å; V673-R677 WeakPolarHBondContact O-CG 3.35Å; V673-R677 PolarHBondContact O-N 2.79Å; D674-R677 IonicContact OD1-CZ 2.91Å; D674-R677 IonicContact OD1-NH1 2.61Å; D674-R677 PolarHBondContact OD1-NH1 3.48Å; D675-R677 PolarHBondContact O-N 3.31Å; R677-H679 VanDerWaalsContact C-N 3.34Å; R677-H679 PolarHBondContact O-N 3.22Å; R677-E680 PolarHBondContact O-N 3.27Å; R677-I681 WeakPolarHBondContact O-CB 3.35Å; R677-I681 WeakPolarHBondContact O-CG1 3.02Å; R677-I681 PolarHBondContact O-N 3.04Å; R677-F712 HydrophobicContact CB-CE1 4.45Å; R677-F712 HydrophobicContact CB-CE2 4.12Å; R677-F712 HydrophobicContact CB-CZ 3.9Å; R677-F712 HydrophobicContact CG-CD1 4.16Å; R677-F712 HydrophobicContact CG-CD2 4.15Å; R677-F712 HydrophobicContact CG-CE1 3.87Å; R677-F712 HydrophobicContact CG-CE2 3.83Å; R677-F712 HydrophobicContact CG-CG 4.3Å; R677-F712 HydrophobicContact CG-CZ 3.7Å |
| 678 | K | 93.5 | Very high | 92.2 | Very high | 77 Ų | 77 | 49 Ų | 49 | 34% | 0.335 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.7 | -48.1 | 177.7 | -68.2 | 166.2 | -168.6 | 166.2 | 0 | 110.8 | D674 D675 D676 I681 E682 | D674-K678 WeakPolarHBondContact O-CG 3.41Å; D674-K678 PolarHBondContact O-N 3.4Å; D675-K678 WeakPolarHBondContact O-CB 3.41Å; D675-K678 PolarHBondContact O-N 3.22Å; D675-K678 IonicContact OD1-NZ 2.74Å; D675-K678 PolarHBondContact OD1-NZ 3.1Å; D676-K678 VanDerWaalsContact C-N 3.26Å; D676-K678 PolarHBondContact O-N 3.45Å; K678-I681 PolarHBondContact O-N 3.38Å; K678-E682 VanDerWaalsContact O-CG 3.32Å; K678-E682 WeakPolarHBondContact O-CG 3.48Å; K678-E682 PolarHBondContact O-N 3.18Å; K678-E682 VanDerWaalsContact O-N 3.07Å |
| 679 | H | 93.1 | Very high | 92.8 | Very high | 124 Ų | 124 | 44.5 Ų | 44.5 | 57% | 0.574 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -67.3 | -39.1 | -179.7 | -57.3 | 98.2 | 0 | 0 | 0 | 111.4 | D675 D676 R677 E682 A683 | D675-H679 PolarHBondContact O-CE1 3.41Å; D675-H679 PolarHBondContact O-ND1 3.35Å; D676-H679 PolarHBondContact O-N 3.3Å; D676-H679 VanDerWaalsContact O-N 3.1Å; R677-H679 VanDerWaalsContact C-N 3.34Å; R677-H679 PolarHBondContact O-N 3.22Å; H679-E682 PolarHBondContact O-N 3.32Å; H679-A683 WeakPolarHBondContact O-CB 3.22Å; H679-A683 PolarHBondContact O-N 3.37Å |
| 680 | E | 92.8 | Very high | 93.3 | Very high | 44 Ų | 44 | 50 Ų | 50 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 177.8 | -67.5 | -171.3 | -171.1 | 0 | 0 | 112.9 | D676 R677 A683 A684 R711 F712 | D676-E680 WeakPolarHBondContact O-CG 3.21Å; D676-E680 PolarHBondContact O-N 3.16Å; R677-E680 PolarHBondContact O-N 3.27Å; E680-A683 PolarHBondContact O-N 3.39Å; E680-A684 WeakPolarHBondContact O-CB 3.42Å; E680-A684 PolarHBondContact O-N 2.96Å; E680-R711 IonicContact OE1-CZ 2.76Å; E680-R711 VanDerWaalsContact OE1-CZ 3.27Å; E680-R711 IonicContact OE1-NH1 3.42Å; E680-R711 PolarHBondContact OE1-NH1 3.13Å; E680-R711 IonicContact OE1-NH2 3.52Å; E680-R711 PolarHBondContact OE1-NH2 3.43Å; E680-R711 IonicContact OE2-CZ 3.74Å; E680-R711 IonicContact OE2-NE 2.83Å; E680-R711 IonicContact OE2-NH1 3.24Å; E680-R711 PolarHBondContact OE2-NH1 2.8Å; E680-F712 HydrophobicContact CB-CE1 4.46Å |
| 681 | I | 96.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 174.5 | -67.2 | 165.6 | 0 | 0 | 0 | 110.4 | R677 K678 A683 A684 I685 V704 L708 F712 P714 V718 I719 R722 | R677-I681 WeakPolarHBondContact O-CB 3.35Å; R677-I681 WeakPolarHBondContact O-CG1 3.02Å; R677-I681 PolarHBondContact O-N 3.04Å; K678-I681 PolarHBondContact O-N 3.38Å; I681-A683 PolarHBondContact O-N 3.42Å; I681-A684 PolarHBondContact O-N 2.99Å; I681-I685 HydrophobicContact CG2-CD1 3.68Å; I681-I685 HydrophobicContact CG2-CG1 4.34Å; I681-I685 WeakPolarHBondContact O-CD1 3.45Å; I681-I685 VanDerWaalsContact O-CG1 3.26Å; I681-I685 WeakPolarHBondContact O-CG1 2.92Å; I681-I685 PolarHBondContact O-N 3.11Å; I681-V704 HydrophobicContact CG2-CG1 4.38Å; I681-L708 HydrophobicContact CB-CD1 4.33Å; I681-L708 HydrophobicContact CG1-CD1 3.65Å; I681-F712 HydrophobicContact CD1-CE2 4.13Å; I681-F712 HydrophobicContact CD1-CZ 4.3Å; I681-F712 HydrophobicContact CG1-CE2 4.2Å; I681-F712 HydrophobicContact CG1-CZ 3.95Å; I681-P714 HydrophobicContact CD1-CB 4.11Å; I681-P714 HydrophobicContact CG1-CB 4.37Å; I681-V718 HydrophobicContact CD1-CG1 3.67Å; I681-I719 HydrophobicContact CG2-CG1 4.2Å; I681-R722 HydrophobicContact CB-CG 4.14Å; I681-R722 HydrophobicContact CG2-CB 3.85Å; I681-R722 HydrophobicContact CG2-CG 3.71Å |
| 682 | E | 95.5 | Very high | 93.8 | Very high | 21 Ų | 21 | 53.1 Ų | 53.1 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 177.7 | -72.1 | 174.9 | -166.4 | 0 | 0 | 111.7 | K678 H679 A684 I685 V686 R722 L726 R729 | K678-E682 VanDerWaalsContact O-CG 3.32Å; K678-E682 WeakPolarHBondContact O-CG 3.48Å; K678-E682 PolarHBondContact O-N 3.18Å; K678-E682 VanDerWaalsContact O-N 3.07Å; H679-E682 PolarHBondContact O-N 3.32Å; E682-A684 VanDerWaalsContact C-N 3.34Å; E682-A684 PolarHBondContact O-N 3.32Å; E682-I685 PolarHBondContact O-N 2.85Å; E682-V686 WeakPolarHBondContact O-CG2 3.43Å; E682-V686 PolarHBondContact O-N 2.83Å; E682-R722 HydrophobicContact CG-CB 4.02Å; E682-R722 HydrophobicContact CG-CG 4.23Å; E682-R722 VanDerWaalsContact OE1-CD 3.3Å; E682-R722 WeakPolarHBondContact OE1-CD 3.37Å; E682-R722 IonicContact OE1-CZ 2.72Å; E682-R722 IonicContact OE1-NE 3.62Å; E682-R722 IonicContact OE1-NH1 3.97Å; E682-R722 PolarHBondContact OE1-NH1 3.26Å; E682-L726 HydrophobicContact CB-CD1 4.42Å; E682-L726 HydrophobicContact CG-CD1 4.41Å; E682-L726 HydrophobicContact CG-CG 4.4Å; E682-R729 IonicContact OE1-NH2 2.67Å; E682-R729 PolarHBondContact OE1-NH2 2.89Å; E682-R729 IonicContact OE2-CZ 3.32Å; E682-R729 IonicContact OE2-NH1 3.37Å; E682-R729 PolarHBondContact OE2-NH1 3.45Å; E682-R729 IonicContact OE2-NH2 3.8Å; E682-R729 PolarHBondContact OE2-NH2 3.37Å |
| 683 | A | 94.2 | Very high | 94.1 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 40% | 0.397 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.8 | -36.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | H679 E680 I681 R687 | H679-A683 WeakPolarHBondContact O-CB 3.22Å; H679-A683 PolarHBondContact O-N 3.37Å; E680-A683 PolarHBondContact O-N 3.39Å; I681-A683 PolarHBondContact O-N 3.42Å; A683-R687 WeakPolarHBondContact O-CB 3.49Å; A683-R687 VanDerWaalsContact O-CG 3.28Å; A683-R687 WeakPolarHBondContact O-CG 3.31Å; A683-R687 PolarHBondContact O-N 3.19Å; A683-R687 PolarHBondContact O-NE 3.46Å |
| 684 | A | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.9 | -50.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E680 I681 E682 V686 R687 I688 V704 L708 | E680-A684 WeakPolarHBondContact O-CB 3.42Å; E680-A684 PolarHBondContact O-N 2.96Å; I681-A684 PolarHBondContact O-N 2.99Å; E682-A684 VanDerWaalsContact C-N 3.34Å; E682-A684 PolarHBondContact O-N 3.32Å; A684-V686 PolarHBondContact O-N 3.29Å; A684-R687 PolarHBondContact O-N 2.85Å; A684-I688 WeakPolarHBondContact O-CG1 3.38Å; A684-I688 PolarHBondContact O-N 3.37Å; A684-V704 HydrophobicContact CB-CG1 4.41Å; A684-L708 HydrophobicContact CB-CD1 4.2Å; A684-L708 HydrophobicContact CB-CD2 4.19Å; A684-L708 HydrophobicContact CB-CG 4.21Å |
| 685 | I | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.5 | -50.7 | 177.4 | -67.5 | 161.5 | 0 | 0 | 0 | 110.6 | I681 E682 R687 I688 M689 L700 V704 I719 R722 I723 L726 L732 | I681-I685 HydrophobicContact CG2-CD1 3.68Å; I681-I685 HydrophobicContact CG2-CG1 4.34Å; I681-I685 WeakPolarHBondContact O-CD1 3.45Å; I681-I685 VanDerWaalsContact O-CG1 3.26Å; I681-I685 WeakPolarHBondContact O-CG1 2.92Å; I681-I685 PolarHBondContact O-N 3.11Å; E682-I685 PolarHBondContact O-N 2.85Å; I685-R687 PolarHBondContact O-N 2.95Å; I685-I688 PolarHBondContact O-N 3.23Å; I685-M689 HydrophobicContact CG2-CG 4.3Å; I685-M689 WeakPolarHBondContact O-CB 3.46Å; I685-M689 WeakPolarHBondContact O-CG 3.42Å; I685-M689 PolarHBondContact O-N 3.12Å; I685-L700 HydrophobicContact CG2-CD2 4.39Å; I685-V704 HydrophobicContact CG1-CG1 4.4Å; I685-V704 HydrophobicContact CG1-CG2 3.67Å; I685-I719 HydrophobicContact CD1-CG2 4.32Å; I685-R722 HydrophobicContact CD1-CB 3.86Å; I685-I723 HydrophobicContact CD1-CG1 3.81Å; I685-I723 HydrophobicContact CG1-CG1 4.45Å; I685-I723 HydrophobicContact CG2-CG1 4.41Å; I685-L726 HydrophobicContact CB-CD1 3.8Å; I685-L726 HydrophobicContact CD1-CD1 4.08Å; I685-L726 HydrophobicContact CG2-CD1 3.52Å; I685-L732 HydrophobicContact CG2-CD1 3.72Å |
| 686 | V | 96.3 | Very high | 94.9 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | -178.7 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | E682 A684 M689 K690 L726 Y731 Y744 | E682-V686 WeakPolarHBondContact O-CG2 3.43Å; E682-V686 PolarHBondContact O-N 2.83Å; A684-V686 PolarHBondContact O-N 3.29Å; V686-M689 PolarHBondContact O-N 2.81Å; V686-K690 WeakPolarHBondContact O-CB 3.26Å; V686-K690 PolarHBondContact O-N 2.91Å; V686-L726 HydrophobicContact CG2-CD1 4.02Å; V686-L726 HydrophobicContact CG2-CD2 3.75Å; V686-Y731 HydrophobicContact CG1-CD1 4.49Å; V686-Y731 HydrophobicContact CG2-CD1 4.16Å; V686-Y744 HydrophobicContact CG1-CE2 4.22Å |
| 687 | R | 95.3 | Very high | 95.1 | Very high | 126 Ų | 126 | 59.8 Ų | 59.8 | 48% | 0.475 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 177.5 | -77.6 | -174.9 | -61.5 | -179.4 | 1.3 | 112.3 | A683 A684 I685 S691 | A683-R687 WeakPolarHBondContact O-CB 3.49Å; A683-R687 VanDerWaalsContact O-CG 3.28Å; A683-R687 WeakPolarHBondContact O-CG 3.31Å; A683-R687 PolarHBondContact O-N 3.19Å; A683-R687 PolarHBondContact O-NE 3.46Å; A684-R687 PolarHBondContact O-N 2.85Å; I685-R687 PolarHBondContact O-N 2.95Å; R687-S691 PolarHBondContact O-N 3.39Å |
| 688 | I | 96.1 | Very high | 95.2 | Very high | 15 Ų | 15 | 64 Ų | 64 | 8% | 0.077 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.7 | -52.6 | 178.6 | -69.4 | 163.6 | 0 | 0 | 0 | 110 | A684 I685 K690 S691 R692 M695 L700 E703 V704 | A684-I688 WeakPolarHBondContact O-CG1 3.38Å; A684-I688 PolarHBondContact O-N 3.37Å; I685-I688 PolarHBondContact O-N 3.23Å; I688-K690 PolarHBondContact O-N 2.85Å; I688-S691 PolarHBondContact O-N 2.9Å; I688-R692 HydrophobicContact CG2-CG 4.3Å; I688-R692 WeakPolarHBondContact O-CB 3.33Å; I688-R692 WeakPolarHBondContact O-CG 3.27Å; I688-R692 PolarHBondContact O-N 3.13Å; I688-M695 HydrophobicContact CG2-CE 3.95Å; I688-M695 HydrophobicContact CG2-SD 3.95Å; I688-L700 HydrophobicContact CB-CD1 4.28Å; I688-L700 HydrophobicContact CG2-CD1 3.76Å; I688-E703 HydrophobicContact CD1-CB 4Å; I688-E703 VanDerWaalsContact CG2-OE2 3.24Å; I688-E703 WeakPolarHBondContact CG2-OE2 3.47Å; I688-V704 HydrophobicContact CD1-CB 4.39Å; I688-V704 HydrophobicContact CD1-CG2 3.65Å |
| 689 | M | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.8 | -35.8 | -177.1 | -74.1 | -59.8 | -60.8 | 0 | 0 | 112.7 | I685 V686 S691 R692 K693 M695 L700 L732 Y742 Y744 | I685-M689 HydrophobicContact CG2-CG 4.3Å; I685-M689 WeakPolarHBondContact O-CB 3.46Å; I685-M689 WeakPolarHBondContact O-CG 3.42Å; I685-M689 PolarHBondContact O-N 3.12Å; V686-M689 PolarHBondContact O-N 2.81Å; M689-S691 VanDerWaalsContact C-N 3.29Å; M689-S691 PolarHBondContact O-N 3.33Å; M689-R692 PolarHBondContact O-N 2.99Å; M689-K693 VanDerWaalsContact O-CA 3.26Å; M689-K693 WeakPolarHBondContact O-CA 3.49Å; M689-K693 PolarHBondContact O-N 2.91Å; M689-M695 HydrophobicContact SD-CB 3.71Å; M689-L700 HydrophobicContact CG-CD1 4.05Å; M689-L700 HydrophobicContact CG-CD2 4.16Å; M689-L700 HydrophobicContact SD-CD1 4.1Å; M689-L700 HydrophobicContact SD-CD2 4.02Å; M689-L732 HydrophobicContact CB-CD2 3.58Å; M689-L732 HydrophobicContact CE-CD2 3.94Å; M689-L732 HydrophobicContact CG-CD1 4.42Å; M689-L732 HydrophobicContact CG-CD2 3.59Å; M689-Y742 WeakPolarHBondContact CE-O 3.48Å; M689-Y744 HydrophobicContact CB-CD2 3.97Å; M689-Y744 HydrophobicContact CB-CG 4.42Å; M689-Y744 WeakPolarHBondContact O-CB 3.42Å |
| 690 | K | 95.4 | Very high | 95.4 | Very high | 124 Ų | 124 | 57.4 Ų | 57.4 | 54% | 0.539 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 174.6 | -177.6 | 173.6 | -177.5 | 174.5 | 0 | 112.4 | V686 I688 K693 Y744 | V686-K690 WeakPolarHBondContact O-CB 3.26Å; V686-K690 PolarHBondContact O-N 2.91Å; I688-K690 PolarHBondContact O-N 2.85Å; K690-K693 WeakPolarHBondContact O-CD 3.48Å; K690-K693 WeakPolarHBondContact O-CE 3.24Å; K690-K693 PolarHBondContact O-NZ 3.25Å; K690-Y744 HydrophobicContact CB-CD1 4.37Å; K690-Y744 HydrophobicContact CB-CD2 4.42Å; K690-Y744 HydrophobicContact CB-CE1 3.95Å; K690-Y744 HydrophobicContact CB-CE2 4.05Å; K690-Y744 HydrophobicContact CG-CE1 3.85Å |
| 691 | S | 95 | Very high | 95.6 | Very high | 95 Ų | 95 | 56.1 Ų | 56.1 | 66% | 0.664 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -76.9 | -45.7 | 178.4 | 175.2 | 0 | 0 | 0 | 0 | 112.2 | R687 I688 M689 | R687-S691 PolarHBondContact O-N 3.39Å; I688-S691 PolarHBondContact O-N 2.9Å; M689-S691 VanDerWaalsContact C-N 3.29Å; M689-S691 PolarHBondContact O-N 3.33Å |
| 692 | R | 94.6 | Very high | 95.6 | Very high | 145 Ų | 145 | 58.9 Ų | 58.9 | 55% | 0.547 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -88.1 | -20.4 | -170.9 | -61.7 | -74.4 | -155.6 | -178.3 | 8.1 | 114 | I688 M689 K694 M695 E703 | I688-R692 HydrophobicContact CG2-CG 4.3Å; I688-R692 WeakPolarHBondContact O-CB 3.33Å; I688-R692 WeakPolarHBondContact O-CG 3.27Å; I688-R692 PolarHBondContact O-N 3.13Å; M689-R692 PolarHBondContact O-N 2.99Å; R692-K694 PolarHBondContact O-N 3.06Å; R692-M695 HydrophobicContact CB-CE 3.8Å; R692-M695 HydrophobicContact CG-CE 3.52Å; R692-E703 IonicContact CZ-OE1 2.7Å; R692-E703 IonicContact NE-OE1 3.91Å; R692-E703 IonicContact NE-OE2 3.65Å; R692-E703 IonicContact NH2-OE1 3.83Å; R692-E703 PolarHBondContact NH2-OE1 3.47Å |
| 693 | K | 94.1 | Very high | 95.6 | Very high | 116 Ų | 116 | 60.4 Ų | 60.4 | 50% | 0.504 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 63.6 | -40.6 | -178.5 | -55.2 | -58.1 | -172.3 | -172.4 | 0 | 116.1 | M689 K690 T743 Y744 | M689-K693 VanDerWaalsContact O-CA 3.26Å; M689-K693 WeakPolarHBondContact O-CA 3.49Å; M689-K693 PolarHBondContact O-N 2.91Å; K690-K693 WeakPolarHBondContact O-CD 3.48Å; K690-K693 WeakPolarHBondContact O-CE 3.24Å; K690-K693 PolarHBondContact O-NZ 3.25Å; K693-T743 CarbonylContact O-C 3.48Å; K693-T743 VanDerWaalsContact O-CA 3.3Å; K693-T743 WeakPolarHBondContact O-CA 3.41Å; K693-Y744 HydrophobicContact CD-CD1 4.41Å; K693-Y744 PolarHBondContact O-N 3.47Å |
| 694 | K | 95.1 | Very high | 95.7 | Very high | 121 Ų | 121 | 58.1 Ų | 58.1 | 53% | 0.526 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 132.7 | 179.7 | -175.2 | 172.9 | 178 | 169.9 | 0 | 109.9 | R692 V741 Y742 T743 | R692-K694 PolarHBondContact O-N 3.06Å; K694-V741 HydrophobicContact CD-CG1 4.18Å; K694-V741 VanDerWaalsContact CE-CG1 3.46Å; K694-V741 HydrophobicContact CG-CG1 3.63Å; K694-Y742 CarbonylContact C-O 3.47Å; K694-Y742 VanDerWaalsContact CA-O 3.28Å; K694-Y742 WeakPolarHBondContact CA-O 3.44Å; K694-T743 HydrophobicContact CB-CG2 4.23Å; K694-T743 HydrophobicContact CD-CG2 4.3Å; K694-T743 HydrophobicContact CG-CG2 4.02Å |
| 695 | M | 95.5 | Very high | 95.7 | Very high | 17 Ų | 17 | 59.7 Ų | 59.7 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 144.7 | -178.4 | -167.3 | 169.1 | -82.3 | 0 | 0 | 112.8 | I688 M689 R692 V699 L700 E703 Y742 | I688-M695 HydrophobicContact CG2-CE 3.95Å; I688-M695 HydrophobicContact CG2-SD 3.95Å; M689-M695 HydrophobicContact SD-CB 3.71Å; R692-M695 HydrophobicContact CB-CE 3.8Å; R692-M695 HydrophobicContact CG-CE 3.52Å; M695-V699 HydrophobicContact CE-CG1 4.38Å; M695-V699 HydrophobicContact CG-CB 4.08Å; M695-V699 HydrophobicContact CG-CG1 4.07Å; M695-V699 HydrophobicContact SD-CB 4.49Å; M695-V699 HydrophobicContact SD-CG1 4.09Å; M695-L700 HydrophobicContact CG-CB 3.98Å; M695-L700 WeakPolarHBondContact SD-CA 3.19Å; M695-L700 HydrophobicContact SD-CB 3.68Å; M695-L700 HydrophobicContact SD-CD1 3.85Å; M695-L700 HydrophobicContact SD-CG 4.37Å; M695-E703 WeakPolarHBondContact CE-OE2 3.35Å; M695-Y742 PolarHBondContact N-O 3.1Å; M695-Y742 PolarHBondContact O-N 3.26Å |
| 696 | Q | 97 | Very high | 95.5 | Very high | 87 Ų | 87 | 66 Ų | 66 | 41% | 0.407 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 146.2 | 173.2 | -163.9 | -165.8 | 27.9 | 0 | 0 | 111 | N698 V699 L700 K740 | Q696-N698 PolarHBondContact O-N 2.86Å; Q696-V699 HydrophobicContact CB-CB 4.5Å; Q696-V699 HydrophobicContact CB-CG2 4.19Å; Q696-V699 PolarHBondContact O-N 3.39Å; Q696-V699 VanDerWaalsContact O-N 3.16Å; Q696-L700 PolarHBondContact O-N 3.31Å; Q696-K740 CarbonylContact C-O 3.54Å; Q696-K740 WeakPolarHBondContact CA-O 3.33Å |
| 697 | H | 95.1 | Very high | 95.3 | Very high | 37 Ų | 37 | 68.5 Ų | 68.5 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -49.1 | -55.1 | -178.7 | -179.6 | 83.7 | 0 | 0 | 0 | 113.6 | V699 L700 V701 K740 Y742 | H697-V699 VanDerWaalsContact C-N 3.29Å; H697-V699 PolarHBondContact O-N 2.91Å; H697-L700 PolarHBondContact O-N 3.4Å; H697-V701 WeakPolarHBondContact O-CG2 3.5Å; H697-V701 PolarHBondContact O-N 2.76Å; H697-K740 PolarHBondContact N-O 2.96Å; H697-Y742 HydrophobicContact CB-CE2 3.69Å; H697-Y742 AromaticContact CG-CE2 3.99Å; H697-Y742 AromaticContact ND1-CE2 3.47Å; H697-Y742 WeakPolarHBondContact ND1-CE2 3.44Å; H697-Y742 AromaticContact ND1-CZ 3.64Å; H697-Y742 PolarHBondContact ND1-OH 3.48Å |
| 698 | N | 95.6 | Very high | 95.1 | Very high | 114 Ų | 114 | 62.9 Ų | 62.9 | 61% | 0.61 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.8 | -37.1 | -176.5 | -69.3 | -12.1 | 0 | 0 | 0 | 112.3 | Q696 A702 | Q696-N698 PolarHBondContact O-N 2.86Å; N698-A702 WeakPolarHBondContact O-CB 3.39Å; N698-A702 PolarHBondContact O-N 3.42Å |
| 699 | V | 95.9 | Very high | 94.8 | Very high | 64 Ų | 64 | 67.9 Ų | 67.9 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.1 | -43.3 | 176.7 | -178 | 0 | 0 | 0 | 0 | 110.4 | M695 Q696 H697 A702 E703 | M695-V699 HydrophobicContact CE-CG1 4.38Å; M695-V699 HydrophobicContact CG-CB 4.08Å; M695-V699 HydrophobicContact CG-CG1 4.07Å; M695-V699 HydrophobicContact SD-CB 4.49Å; M695-V699 HydrophobicContact SD-CG1 4.09Å; Q696-V699 HydrophobicContact CB-CB 4.5Å; Q696-V699 HydrophobicContact CB-CG2 4.19Å; Q696-V699 PolarHBondContact O-N 3.39Å; Q696-V699 VanDerWaalsContact O-N 3.16Å; H697-V699 VanDerWaalsContact C-N 3.29Å; H697-V699 PolarHBondContact O-N 2.91Å; V699-A702 PolarHBondContact O-N 3.28Å; V699-E703 PolarHBondContact O-N 3.14Å |
| 700 | L | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 176.6 | 179.3 | 60 | 0 | 0 | 0 | 111.7 | I685 I688 M689 M695 Q696 H697 A702 E703 V704 I723 Y742 | I685-L700 HydrophobicContact CG2-CD2 4.39Å; I688-L700 HydrophobicContact CB-CD1 4.28Å; I688-L700 HydrophobicContact CG2-CD1 3.76Å; M689-L700 HydrophobicContact CG-CD1 4.05Å; M689-L700 HydrophobicContact CG-CD2 4.16Å; M689-L700 HydrophobicContact SD-CD1 4.1Å; M689-L700 HydrophobicContact SD-CD2 4.02Å; M695-L700 HydrophobicContact CG-CB 3.98Å; M695-L700 WeakPolarHBondContact SD-CA 3.19Å; M695-L700 HydrophobicContact SD-CB 3.68Å; M695-L700 HydrophobicContact SD-CD1 3.85Å; M695-L700 HydrophobicContact SD-CG 4.37Å; Q696-L700 PolarHBondContact O-N 3.31Å; H697-L700 PolarHBondContact O-N 3.4Å; L700-A702 VanDerWaalsContact C-N 3.32Å; L700-A702 PolarHBondContact O-N 3.01Å; L700-E703 PolarHBondContact O-N 3.39Å; L700-V704 HydrophobicContact CD1-CG2 3.94Å; L700-V704 HydrophobicContact CG-CG2 4.33Å; L700-V704 WeakPolarHBondContact O-CB 3.33Å; L700-V704 WeakPolarHBondContact O-CG2 3.33Å; L700-V704 PolarHBondContact O-N 3.1Å; L700-I723 HydrophobicContact CD2-CD1 3.79Å; L700-I723 HydrophobicContact CD2-CG1 4.28Å; L700-I723 HydrophobicContact CG-CD1 4.41Å; L700-Y742 HydrophobicContact CD2-CD2 3.86Å; L700-Y742 HydrophobicContact CD2-CE2 4.35Å |
| 701 | V | 96.4 | Very high | 94 | Very high | 16 Ų | 16 | 67.4 Ų | 67.4 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 175.5 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | H697 V704 T705 P716 I719 | H697-V701 WeakPolarHBondContact O-CG2 3.5Å; H697-V701 PolarHBondContact O-N 2.76Å; V701-V704 PolarHBondContact O-N 3.37Å; V701-T705 WeakPolarHBondContact O-CB 3.37Å; V701-T705 PolarHBondContact O-N 3.4Å; V701-T705 PolarHBondContact O-OG1 3.26Å; V701-T705 VanDerWaalsContact O-OG1 3.04Å; V701-P716 HydrophobicContact CG1-CB 4.05Å; V701-P716 HydrophobicContact CG1-CG 4.38Å; V701-I719 HydrophobicContact CG1-CD1 3.99Å; V701-I719 HydrophobicContact CG2-CG2 4.02Å |
| 702 | A | 95.9 | Very high | 93.9 | Very high | 60 Ų | 60 | 63.1 Ų | 63.1 | 50% | 0.496 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N698 V699 L700 T705 Q706 | N698-A702 WeakPolarHBondContact O-CB 3.39Å; N698-A702 PolarHBondContact O-N 3.42Å; V699-A702 PolarHBondContact O-N 3.28Å; L700-A702 VanDerWaalsContact C-N 3.32Å; L700-A702 PolarHBondContact O-N 3.01Å; A702-T705 PolarHBondContact O-N 3.45Å; A702-Q706 WeakPolarHBondContact O-CB 3.47Å; A702-Q706 PolarHBondContact O-N 3.08Å |
| 703 | E | 95.8 | Very high | 93.7 | Very high | 54 Ų | 54 | 60.5 Ų | 60.5 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 177.3 | -75.4 | -159.6 | 179.5 | 0 | 0 | 111.7 | I688 R692 M695 V699 L700 Q706 Q707 | I688-E703 HydrophobicContact CD1-CB 4Å; I688-E703 VanDerWaalsContact CG2-OE2 3.24Å; I688-E703 WeakPolarHBondContact CG2-OE2 3.47Å; R692-E703 IonicContact CZ-OE1 2.7Å; R692-E703 IonicContact NE-OE1 3.91Å; R692-E703 IonicContact NE-OE2 3.65Å; R692-E703 IonicContact NH2-OE1 3.83Å; R692-E703 PolarHBondContact NH2-OE1 3.47Å; M695-E703 WeakPolarHBondContact CE-OE2 3.35Å; V699-E703 PolarHBondContact O-N 3.14Å; L700-E703 PolarHBondContact O-N 3.39Å; E703-Q706 PolarHBondContact O-N 3.41Å; E703-Q707 WeakPolarHBondContact O-CB 3.32Å; E703-Q707 PolarHBondContact O-N 2.96Å |
| 704 | V | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | I681 A684 I685 I688 L700 V701 Q706 Q707 L708 I719 | I681-V704 HydrophobicContact CG2-CG1 4.38Å; A684-V704 HydrophobicContact CB-CG1 4.41Å; I685-V704 HydrophobicContact CG1-CG1 4.4Å; I685-V704 HydrophobicContact CG1-CG2 3.67Å; I688-V704 HydrophobicContact CD1-CB 4.39Å; I688-V704 HydrophobicContact CD1-CG2 3.65Å; L700-V704 HydrophobicContact CD1-CG2 3.94Å; L700-V704 HydrophobicContact CG-CG2 4.33Å; L700-V704 WeakPolarHBondContact O-CB 3.33Å; L700-V704 WeakPolarHBondContact O-CG2 3.33Å; L700-V704 PolarHBondContact O-N 3.1Å; V701-V704 PolarHBondContact O-N 3.37Å; V704-Q706 VanDerWaalsContact C-N 3.33Å; V704-Q706 PolarHBondContact O-N 3.39Å; V704-Q707 PolarHBondContact O-N 3.39Å; V704-L708 HydrophobicContact CG1-CD1 3.88Å; V704-L708 WeakPolarHBondContact O-CG 3.44Å; V704-L708 PolarHBondContact O-N 3.45Å; V704-I719 HydrophobicContact CB-CD1 4.24Å; V704-I719 HydrophobicContact CB-CG2 4.48Å; V704-I719 HydrophobicContact CG1-CD1 3.83Å; V704-I719 HydrophobicContact CG1-CG1 4.02Å; V704-I719 HydrophobicContact CG1-CG2 4.28Å |
| 705 | T | 94.4 | Very high | 93.4 | Very high | 32 Ų | 32 | 52.3 Ų | 52.3 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 176.2 | -64.1 | 0 | 0 | 0 | 0 | 111 | V701 A702 Q707 L708 K709 L713 P714 I719 | V701-T705 WeakPolarHBondContact O-CB 3.37Å; V701-T705 PolarHBondContact O-N 3.4Å; V701-T705 PolarHBondContact O-OG1 3.26Å; V701-T705 VanDerWaalsContact O-OG1 3.04Å; A702-T705 PolarHBondContact O-N 3.45Å; T705-Q707 PolarHBondContact O-N 3.35Å; T705-L708 PolarHBondContact O-N 3.43Å; T705-K709 WeakPolarHBondContact O-CB 3.28Å; T705-K709 PolarHBondContact O-N 3.03Å; T705-L713 HydrophobicContact CG2-CD1 3.75Å; T705-P714 HydrophobicContact CG2-CG 4.48Å; T705-I719 WeakPolarHBondContact OG1-CD1 3.28Å |
| 706 | Q | 93.1 | Very high | 93.3 | Very high | 134 Ų | 134 | 55.2 Ų | 55.2 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.1 | -40.4 | 178.7 | -177.9 | 58.8 | 30.2 | 0 | 0 | 112.2 | A702 E703 V704 L708 | A702-Q706 WeakPolarHBondContact O-CB 3.47Å; A702-Q706 PolarHBondContact O-N 3.08Å; E703-Q706 PolarHBondContact O-N 3.41Å; V704-Q706 VanDerWaalsContact C-N 3.33Å; V704-Q706 PolarHBondContact O-N 3.39Å; Q706-L708 VanDerWaalsContact C-N 3.34Å |
| 707 | Q | 91.6 | Very high | 93.2 | Very high | 81 Ų | 81 | 56.4 Ų | 56.4 | 38% | 0.379 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.6 | -35.4 | 178.4 | -170.8 | 177.1 | 25.6 | 0 | 0 | 112.3 | E703 V704 T705 | E703-Q707 WeakPolarHBondContact O-CB 3.32Å; E703-Q707 PolarHBondContact O-N 2.96Å; V704-Q707 PolarHBondContact O-N 3.39Å; T705-Q707 PolarHBondContact O-N 3.35Å |
| 708 | L | 91.8 | Very high | 93.1 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -91.6 | -16.3 | -176.1 | -66 | 174.8 | 0 | 0 | 0 | 114.1 | I681 A684 V704 T705 Q706 A710 R711 F712 P714 | I681-L708 HydrophobicContact CB-CD1 4.33Å; I681-L708 HydrophobicContact CG1-CD1 3.65Å; A684-L708 HydrophobicContact CB-CD1 4.2Å; A684-L708 HydrophobicContact CB-CD2 4.19Å; A684-L708 HydrophobicContact CB-CG 4.21Å; V704-L708 HydrophobicContact CG1-CD1 3.88Å; V704-L708 WeakPolarHBondContact O-CG 3.44Å; V704-L708 PolarHBondContact O-N 3.45Å; T705-L708 PolarHBondContact O-N 3.43Å; Q706-L708 VanDerWaalsContact C-N 3.34Å; L708-A710 PolarHBondContact O-N 3.12Å; L708-R711 PolarHBondContact O-N 3.41Å; L708-F712 CarbonylContact C-O 3.29Å; L708-F712 VanDerWaalsContact C-O 3.25Å; L708-F712 HydrophobicContact CD1-CZ 3.99Å; L708-F712 HydrophobicContact CD2-CE1 4.39Å; L708-F712 PolarHBondContact O-N 3.37Å; L708-P714 HydrophobicContact CB-CG 4.15Å; L708-P714 HydrophobicContact CD1-CB 4.48Å; L708-P714 HydrophobicContact CD1-CG 4.1Å |
| 709 | K | 89.3 | Confident | 93.1 | Very high | 121 Ų | 121 | 52.1 Ų | 52.1 | 53% | 0.526 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -29.8 | -177.2 | -175.6 | 178.3 | 179.3 | -179 | 0 | 114.3 | T705 R711 F712 | T705-K709 WeakPolarHBondContact O-CB 3.28Å; T705-K709 PolarHBondContact O-N 3.03Å; K709-R711 PolarHBondContact O-N 3.39Å; K709-F712 WeakPolarHBondContact CA-O 3.26Å |
| 710 | A | 86.6 | Confident | 93 | Very high | 52 Ų | 52 | 54.4 Ų | 54.4 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K403 L708 | K403-A710 WeakPolarHBondContact CD-O 3.34Å; L708-A710 PolarHBondContact O-N 3.12Å |
| 711 | R | 88.9 | Confident | 93 | Very high | 62 Ų | 62 | 61.1 Ų | 61.1 | 23% | 0.234 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -47.9 | -179.2 | -60.5 | -170 | 73.2 | -165.9 | -1.2 | 112.9 | K403 D404 E407 E680 L708 K709 | K403-R711 WeakPolarHBondContact CA-O 3.48Å; K403-R711 WeakPolarHBondContact CB-O 3.15Å; K403-R711 PolarHBondContact N-O 3.17Å; D404-R711 PolarHBondContact N-O 3.01Å; E407-R711 IonicContact OE2-CZ 2.83Å; E407-R711 IonicContact OE2-NH2 3.27Å; E407-R711 PolarHBondContact OE2-NH2 3.23Å; E680-R711 IonicContact OE1-CZ 2.76Å; E680-R711 VanDerWaalsContact OE1-CZ 3.27Å; E680-R711 IonicContact OE1-NH1 3.42Å; E680-R711 PolarHBondContact OE1-NH1 3.13Å; E680-R711 IonicContact OE1-NH2 3.52Å; E680-R711 PolarHBondContact OE1-NH2 3.43Å; E680-R711 IonicContact OE2-CZ 3.74Å; E680-R711 IonicContact OE2-NE 2.83Å; E680-R711 IonicContact OE2-NH1 3.24Å; E680-R711 PolarHBondContact OE2-NH1 2.8Å; L708-R711 PolarHBondContact O-N 3.41Å; K709-R711 PolarHBondContact O-N 3.39Å |
| 712 | F | 92.5 | Very high | 93 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 2% | 0.022 | 33% | 0.331 | C | S | . | . | trans | -157.3 | 163.4 | 176.3 | 65.6 | -83.6 | 0 | 0 | 0 | 111 | Q401 D404 R677 E680 I681 L708 K709 P714 | Q401-F712 WeakPolarHBondContact O-CA 3.37Å; D404-F712 WeakPolarHBondContact OD2-CD1 3.13Å; R677-F712 HydrophobicContact CB-CE1 4.45Å; R677-F712 HydrophobicContact CB-CE2 4.12Å; R677-F712 HydrophobicContact CB-CZ 3.9Å; R677-F712 HydrophobicContact CG-CD1 4.16Å; R677-F712 HydrophobicContact CG-CD2 4.15Å; R677-F712 HydrophobicContact CG-CE1 3.87Å; R677-F712 HydrophobicContact CG-CE2 3.83Å; R677-F712 HydrophobicContact CG-CG 4.3Å; R677-F712 HydrophobicContact CG-CZ 3.7Å; E680-F712 HydrophobicContact CB-CE1 4.46Å; I681-F712 HydrophobicContact CD1-CE2 4.13Å; I681-F712 HydrophobicContact CD1-CZ 4.3Å; I681-F712 HydrophobicContact CG1-CE2 4.2Å; I681-F712 HydrophobicContact CG1-CZ 3.95Å; L708-F712 CarbonylContact C-O 3.29Å; L708-F712 VanDerWaalsContact C-O 3.25Å; L708-F712 HydrophobicContact CD1-CZ 3.99Å; L708-F712 HydrophobicContact CD2-CE1 4.39Å; L708-F712 PolarHBondContact O-N 3.37Å; K709-F712 WeakPolarHBondContact CA-O 3.26Å; F712-P714 HydrophobicContact CD2-CB 4.33Å; F712-P714 HydrophobicContact CE2-CB 3.84Å; F712-P714 HydrophobicContact CE2-CG 4.48Å; F712-P714 WeakPolarHBondContact O-CD 3.19Å | ||
| 713 | L | 90.3 | Very high | 93.1 | Very high | 90 Ų | 90 | 59.8 Ų | 59.8 | 47% | 0.471 | 31% | 0.308 | S | S | . | . | trans | -97.5 | 99.2 | 176.6 | -169.6 | 66.3 | 0 | 0 | 0 | 110.3 | T705 | T705-L713 HydrophobicContact CG2-CD1 3.75Š| ||
| 714 | P | 91.4 | Very high | 93 | Very high | 7 Ų | 7 | 59.7 Ų | 59.7 | 5% | 0.045 | 31% | 0.307 | C | S | . | . | trans | -69.6 | 134.8 | -179.9 | 28.4 | -36.5 | 0 | 0 | 0 | 111.5 | I681 T705 L708 F712 I719 | I681-P714 HydrophobicContact CD1-CB 4.11Å; I681-P714 HydrophobicContact CG1-CB 4.37Å; T705-P714 HydrophobicContact CG2-CG 4.48Å; L708-P714 HydrophobicContact CB-CG 4.15Å; L708-P714 HydrophobicContact CD1-CB 4.48Å; L708-P714 HydrophobicContact CD1-CG 4.1Å; F712-P714 HydrophobicContact CD2-CB 4.33Å; F712-P714 HydrophobicContact CE2-CB 3.84Å; F712-P714 HydrophobicContact CE2-CG 4.48Å; F712-P714 WeakPolarHBondContact O-CD 3.19Å; P714-I719 HydrophobicContact CB-CD1 3.93Å; P714-I719 HydrophobicContact CB-CG1 4Å; P714-I719 HydrophobicContact CG-CD1 3.88Å; P714-I719 HydrophobicContact CG-CG1 4.44Å | ||
| 715 | S | 91.6 | Very high | 93 | Very high | 57 Ų | 57 | 60.2 Ų | 60.2 | 40% | 0.399 | 31% | 0.313 | S | S | . | . | trans | -67.9 | 135.7 | 171.4 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | V717 V718 I719 | S715-V717 PolarHBondContact O-N 3.21Å; S715-V717 VanDerWaalsContact O-N 3.11Å; S715-V717 PolarHBondContact OG-N 3.37Å; S715-V718 PolarHBondContact O-N 2.72Å; S715-I719 PolarHBondContact O-N 2.93Å; S715-I719 VanDerWaalsContact O-N 3.1Å | ||
| 716 | P | 93.5 | Very high | 93.1 | Very high | 79 Ų | 79 | 58.8 Ų | 58.8 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -52.2 | -33.5 | 174.4 | -29.4 | 36.4 | 0 | 0 | 0 | 113.7 | V701 I719 K720 | V701-P716 HydrophobicContact CG1-CB 4.05Å; V701-P716 HydrophobicContact CG1-CG 4.38Å; P716-I719 PolarHBondContact O-N 3.37Å; P716-K720 WeakPolarHBondContact O-CB 3.41Å; P716-K720 PolarHBondContact O-N 3.42Å |
| 717 | V | 94.7 | Very high | 93.2 | Very high | 111 Ų | 111 | 54.2 Ų | 54.2 | 67% | 0.673 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.2 | -41.1 | 178 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | S715 K720 K721 | S715-V717 PolarHBondContact O-N 3.21Å; S715-V717 VanDerWaalsContact O-N 3.11Å; S715-V717 PolarHBondContact OG-N 3.37Å; V717-K720 PolarHBondContact O-N 2.92Å; V717-K721 PolarHBondContact O-N 3.16Å |
| 718 | V | 93.8 | Very high | 93.3 | Very high | 61 Ų | 61 | 58.1 Ų | 58.1 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.1 | -44.1 | 178.7 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | I681 S715 K720 K721 R722 | I681-V718 HydrophobicContact CD1-CG1 3.67Å; S715-V718 PolarHBondContact O-N 2.72Å; V718-K720 VanDerWaalsContact C-N 3.32Å; V718-K720 PolarHBondContact O-N 3.34Å; V718-K721 PolarHBondContact O-N 3.4Å; V718-K721 VanDerWaalsContact O-N 3.16Å; V718-R722 WeakPolarHBondContact O-CG 3.47Å; V718-R722 PolarHBondContact O-N 3.18Å |
| 719 | I | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.6 | -48.4 | 175.7 | -63.7 | 169.5 | 0 | 0 | 0 | 110.1 | I681 I685 V701 V704 T705 P714 S715 P716 K721 R722 I723 | I681-I719 HydrophobicContact CG2-CG1 4.2Å; I685-I719 HydrophobicContact CD1-CG2 4.32Å; V701-I719 HydrophobicContact CG1-CD1 3.99Å; V701-I719 HydrophobicContact CG2-CG2 4.02Å; V704-I719 HydrophobicContact CB-CD1 4.24Å; V704-I719 HydrophobicContact CB-CG2 4.48Å; V704-I719 HydrophobicContact CG1-CD1 3.83Å; V704-I719 HydrophobicContact CG1-CG1 4.02Å; V704-I719 HydrophobicContact CG1-CG2 4.28Å; T705-I719 WeakPolarHBondContact OG1-CD1 3.28Å; P714-I719 HydrophobicContact CB-CD1 3.93Å; P714-I719 HydrophobicContact CB-CG1 4Å; P714-I719 HydrophobicContact CG-CD1 3.88Å; P714-I719 HydrophobicContact CG-CG1 4.44Å; S715-I719 PolarHBondContact O-N 2.93Å; S715-I719 VanDerWaalsContact O-N 3.1Å; P716-I719 PolarHBondContact O-N 3.37Å; I719-K721 PolarHBondContact O-N 2.98Å; I719-R722 PolarHBondContact O-N 3.39Å; I719-I723 HydrophobicContact CG2-CD1 3.99Å; I719-I723 HydrophobicContact CG2-CG1 4.42Å; I719-I723 WeakPolarHBondContact O-CG1 3.44Å; I719-I723 PolarHBondContact O-N 2.89Å |
| 720 | K | 94.8 | Very high | 93.7 | Very high | 112 Ų | 112 | 65 Ų | 65 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.6 | -48.8 | 176 | -176.6 | -178.8 | 177.8 | -175.9 | 0 | 111.6 | P716 V717 V718 R722 I723 E724 | P716-K720 WeakPolarHBondContact O-CB 3.41Å; P716-K720 PolarHBondContact O-N 3.42Å; V717-K720 PolarHBondContact O-N 2.92Å; V718-K720 VanDerWaalsContact C-N 3.32Å; V718-K720 PolarHBondContact O-N 3.34Å; K720-R722 PolarHBondContact O-N 2.85Å; K720-I723 WeakPolarHBondContact O-CB 3.41Å; K720-I723 PolarHBondContact O-N 3.13Å; K720-I723 VanDerWaalsContact O-N 3.13Å; K720-E724 WeakPolarHBondContact O-CG 3.39Å; K720-E724 PolarHBondContact O-N 3.03Å |
| 721 | K | 95.9 | Very high | 94 | Very high | 141 Ų | 141 | 67.3 Ų | 67.3 | 61% | 0.613 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.5 | -33.2 | 177.9 | -169.8 | 179.5 | -178.9 | 175.7 | 0 | 112.6 | V717 V718 I719 G725 | V717-K721 PolarHBondContact O-N 3.16Å; V718-K721 PolarHBondContact O-N 3.4Å; V718-K721 VanDerWaalsContact O-N 3.16Å; I719-K721 PolarHBondContact O-N 2.98Å; K721-G725 PolarHBondContact O-N 3.42Å |
| 722 | R | 96.4 | Very high | 94.3 | Very high | 48 Ų | 48 | 64.4 Ų | 64.4 | 18% | 0.181 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -75.2 | -36.5 | 176 | -64.5 | -58 | 83.6 | -167.6 | 0.4 | 112.4 | I681 E682 I685 V718 I719 K720 G725 L726 | I681-R722 HydrophobicContact CB-CG 4.14Å; I681-R722 HydrophobicContact CG2-CB 3.85Å; I681-R722 HydrophobicContact CG2-CG 3.71Å; E682-R722 HydrophobicContact CG-CB 4.02Å; E682-R722 HydrophobicContact CG-CG 4.23Å; E682-R722 VanDerWaalsContact OE1-CD 3.3Å; E682-R722 WeakPolarHBondContact OE1-CD 3.37Å; E682-R722 IonicContact OE1-CZ 2.72Å; E682-R722 IonicContact OE1-NE 3.62Å; E682-R722 IonicContact OE1-NH1 3.97Å; E682-R722 PolarHBondContact OE1-NH1 3.26Å; I685-R722 HydrophobicContact CD1-CB 3.86Å; V718-R722 WeakPolarHBondContact O-CG 3.47Å; V718-R722 PolarHBondContact O-N 3.18Å; I719-R722 PolarHBondContact O-N 3.39Å; K720-R722 PolarHBondContact O-N 2.85Å; R722-G725 PolarHBondContact O-N 3.43Å; R722-L726 WeakPolarHBondContact O-CG 3.35Å; R722-L726 PolarHBondContact O-N 3.48Å |
| 723 | I | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 172.4 | -66.7 | 167.5 | 0 | 0 | 0 | 110.3 | I685 L700 I719 K720 G725 L726 I727 L732 Y742 | I685-I723 HydrophobicContact CD1-CG1 3.81Å; I685-I723 HydrophobicContact CG1-CG1 4.45Å; I685-I723 HydrophobicContact CG2-CG1 4.41Å; L700-I723 HydrophobicContact CD2-CD1 3.79Å; L700-I723 HydrophobicContact CD2-CG1 4.28Å; L700-I723 HydrophobicContact CG-CD1 4.41Å; I719-I723 HydrophobicContact CG2-CD1 3.99Å; I719-I723 HydrophobicContact CG2-CG1 4.42Å; I719-I723 WeakPolarHBondContact O-CG1 3.44Å; I719-I723 PolarHBondContact O-N 2.89Å; K720-I723 WeakPolarHBondContact O-CB 3.41Å; K720-I723 PolarHBondContact O-N 3.13Å; K720-I723 VanDerWaalsContact O-N 3.13Å; I723-G725 VanDerWaalsContact C-N 3.35Å; I723-G725 PolarHBondContact O-N 2.99Å; I723-L726 WeakPolarHBondContact O-CB 3.48Å; I723-L726 PolarHBondContact O-N 2.85Å; I723-I727 HydrophobicContact CG2-CD1 4.02Å; I723-I727 HydrophobicContact CG2-CG1 4.48Å; I723-I727 WeakPolarHBondContact O-CG1 3.42Å; I723-I727 PolarHBondContact O-N 3.46Å; I723-L732 HydrophobicContact CG2-CD1 4.22Å; I723-Y742 HydrophobicContact CD1-CE2 4.16Å; I723-Y742 HydrophobicContact CG2-CD1 4.27Å; I723-Y742 HydrophobicContact CG2-CD2 4.49Å; I723-Y742 HydrophobicContact CG2-CE1 3.83Å; I723-Y742 HydrophobicContact CG2-CE2 4.06Å |
| 724 | E | 95.1 | Very high | 94.5 | Very high | 52 Ų | 52 | 66.1 Ų | 66.1 | 24% | 0.243 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 177.9 | -61.1 | -56.4 | 147 | 0 | 0 | 111.6 | K720 L726 I727 E728 R734 | K720-E724 WeakPolarHBondContact O-CG 3.39Å; K720-E724 PolarHBondContact O-N 3.03Å; E724-L726 PolarHBondContact O-N 3.49Å; E724-I727 WeakPolarHBondContact O-CB 3.4Å; E724-I727 PolarHBondContact O-N 2.88Å; E724-E728 PolarHBondContact O-N 3.26Å; E724-R734 IonicContact OE1-CZ 2.81Å; E724-R734 IonicContact OE1-NH2 2.75Å; E724-R734 PolarHBondContact OE1-NH2 3.3Å; E724-R734 IonicContact OE2-CZ 3.1Å; E724-R734 IonicContact OE2-NH1 2.68Å; E724-R734 IonicContact OE2-NH2 3.62Å; E724-R734 PolarHBondContact OE2-NH2 2.93Å |
| 725 | G | 95.2 | Very high | 94.6 | Very high | 11 Ų | 11 | 66.3 Ų | 66.3 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -21.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K721 R722 I723 R729 | K721-G725 PolarHBondContact O-N 3.42Å; R722-G725 PolarHBondContact O-N 3.43Å; I723-G725 VanDerWaalsContact C-N 3.35Å; I723-G725 PolarHBondContact O-N 2.99Å; G725-R729 WeakPolarHBondContact O-CG 3.42Å; G725-R729 PolarHBondContact O-N 2.61Å; G725-R729 PolarHBondContact O-NE 3.47Å |
| 726 | L | 96.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -81.3 | -27.5 | 171.2 | -74.9 | 169 | 0 | 0 | 0 | 112.2 | E682 I685 V686 R722 I723 E724 R729 E730 Y731 L732 | E682-L726 HydrophobicContact CB-CD1 4.42Å; E682-L726 HydrophobicContact CG-CD1 4.41Å; E682-L726 HydrophobicContact CG-CG 4.4Å; I685-L726 HydrophobicContact CB-CD1 3.8Å; I685-L726 HydrophobicContact CD1-CD1 4.08Å; I685-L726 HydrophobicContact CG2-CD1 3.52Å; V686-L726 HydrophobicContact CG2-CD1 4.02Å; V686-L726 HydrophobicContact CG2-CD2 3.75Å; R722-L726 WeakPolarHBondContact O-CG 3.35Å; R722-L726 PolarHBondContact O-N 3.48Å; I723-L726 WeakPolarHBondContact O-CB 3.48Å; I723-L726 PolarHBondContact O-N 2.85Å; E724-L726 PolarHBondContact O-N 3.49Å; L726-R729 VanDerWaalsContact CD2-NH2 3.33Å; L726-E730 PolarHBondContact O-N 2.91Å; L726-Y731 HydrophobicContact CD2-CD2 4.18Å; L726-Y731 HydrophobicContact CD2-CG 4.07Å; L726-Y731 WeakPolarHBondContact O-CB 3.36Å; L726-Y731 PolarHBondContact O-N 3.37Å; L726-L732 HydrophobicContact CB-CD1 4.01Å; L726-L732 HydrophobicContact CB-CG 4.21Å; L726-L732 HydrophobicContact CD1-CD1 4.25Å; L726-L732 PolarHBondContact O-N 3.24Å |
| 727 | I | 95.3 | Very high | 94.1 | Very high | 37 Ų | 37 | 72.8 Ų | 72.8 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.5 | -45.1 | 171.9 | -65.4 | 167.1 | 0 | 0 | 0 | 110.2 | I723 E724 R729 E730 L732 R734 Y742 | I723-I727 HydrophobicContact CG2-CD1 4.02Å; I723-I727 HydrophobicContact CG2-CG1 4.48Å; I723-I727 WeakPolarHBondContact O-CG1 3.42Å; I723-I727 PolarHBondContact O-N 3.46Å; E724-I727 WeakPolarHBondContact O-CB 3.4Å; E724-I727 PolarHBondContact O-N 2.88Å; I727-R729 PolarHBondContact O-N 2.82Å; I727-E730 PolarHBondContact O-N 3.11Å; I727-L732 WeakPolarHBondContact CA-O 3.45Å; I727-L732 HydrophobicContact CG1-CB 3.9Å; I727-R734 HydrophobicContact CD1-CG 4.27Å; I727-Y742 HydrophobicContact CD1-CD1 4.21Å; I727-Y742 HydrophobicContact CD1-CE1 3.97Å |
| 728 | E | 95 | Very high | 93.9 | Very high | 163 Ų | 163 | 70.6 Ų | 70.6 | 76% | 0.762 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.1 | -30.4 | 176 | -71.3 | 171.8 | -176.2 | 0 | 0 | 112.8 | E724 E730 | E724-E728 PolarHBondContact O-N 3.26Å; E728-E730 VanDerWaalsContact C-N 3.34Å |
| 729 | R | 95.3 | Very high | 93.6 | Very high | 118 Ų | 118 | 77.3 Ų | 77.3 | 45% | 0.445 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 12.8 | 176 | -68.3 | 179.7 | -67.7 | 171.9 | -1.2 | 113.4 | E682 G725 L726 I727 Y731 | E682-R729 IonicContact OE1-NH2 2.67Å; E682-R729 PolarHBondContact OE1-NH2 2.89Å; E682-R729 IonicContact OE2-CZ 3.32Å; E682-R729 IonicContact OE2-NH1 3.37Å; E682-R729 PolarHBondContact OE2-NH1 3.45Å; E682-R729 IonicContact OE2-NH2 3.8Å; E682-R729 PolarHBondContact OE2-NH2 3.37Å; G725-R729 WeakPolarHBondContact O-CG 3.42Å; G725-R729 PolarHBondContact O-N 2.61Å; G725-R729 PolarHBondContact O-NE 3.47Å; L726-R729 VanDerWaalsContact CD2-NH2 3.33Å; I727-R729 PolarHBondContact O-N 2.82Å; R729-Y731 HydrophobicContact CB-CD2 3.86Å; R729-Y731 HydrophobicContact CB-CE2 4.21Å; R729-Y731 VanDerWaalsContact O-CD2 3.31Å; R729-Y731 WeakPolarHBondContact O-CD2 3.42Å; R729-Y731 PolarHBondContact O-N 3.32Å; R729-Y731 VanDerWaalsContact O-N 3.11Å |
| 730 | E | 93.1 | Very high | 93.5 | Very high | 157 Ų | 157 | 83.8 Ų | 83.8 | 73% | 0.734 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 21.8 | 175.3 | -53.6 | -174.9 | 157.5 | 0 | 0 | 115.3 | L726 I727 E728 V745 | L726-E730 PolarHBondContact O-N 2.91Å; I727-E730 PolarHBondContact O-N 3.11Å; E728-E730 VanDerWaalsContact C-N 3.34Å; E730-V745 VanDerWaalsContact O-CG2 3.31Å; E730-V745 WeakPolarHBondContact O-CG2 3.39Å |
| 731 | Y | 92.8 | Very high | 93.4 | Very high | 99 Ų | 99 | 79.4 Ų | 79.4 | 39% | 0.388 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -79.6 | -29 | 171 | -79.7 | -93.8 | 0 | 0 | 0 | 112.4 | V686 L726 R729 Y744 V745 A746 | V686-Y731 HydrophobicContact CG1-CD1 4.49Å; V686-Y731 HydrophobicContact CG2-CD1 4.16Å; L726-Y731 HydrophobicContact CD2-CD2 4.18Å; L726-Y731 HydrophobicContact CD2-CG 4.07Å; L726-Y731 WeakPolarHBondContact O-CB 3.36Å; L726-Y731 PolarHBondContact O-N 3.37Å; R729-Y731 HydrophobicContact CB-CD2 3.86Å; R729-Y731 HydrophobicContact CB-CE2 4.21Å; R729-Y731 VanDerWaalsContact O-CD2 3.31Å; R729-Y731 WeakPolarHBondContact O-CD2 3.42Å; R729-Y731 PolarHBondContact O-N 3.32Å; R729-Y731 VanDerWaalsContact O-N 3.11Å; Y731-Y744 WeakPolarHBondContact O-CD2 3.35Å; Y731-V745 VanDerWaalsContact C-CG2 3.47Å; Y731-V745 WeakPolarHBondContact O-CG2 3.44Å; Y731-V745 PolarHBondContact O-N 2.92Å; Y731-A746 HydrophobicContact CD1-CB 3.94Å; Y731-A746 HydrophobicContact CE1-CB 4.37Å; Y731-A746 HydrophobicContact CG-CB 4.48Å |
| 732 | L | 95.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 153.1 | 179.6 | -58.8 | 177.8 | 0 | 0 | 0 | 110.7 | I685 M689 I723 L726 I727 T743 Y744 V745 | I685-L732 HydrophobicContact CG2-CD1 3.72Å; M689-L732 HydrophobicContact CB-CD2 3.58Å; M689-L732 HydrophobicContact CE-CD2 3.94Å; M689-L732 HydrophobicContact CG-CD1 4.42Å; M689-L732 HydrophobicContact CG-CD2 3.59Å; I723-L732 HydrophobicContact CG2-CD1 4.22Å; L726-L732 HydrophobicContact CB-CD1 4.01Å; L726-L732 HydrophobicContact CB-CG 4.21Å; L726-L732 HydrophobicContact CD1-CD1 4.25Å; L726-L732 PolarHBondContact O-N 3.24Å; I727-L732 WeakPolarHBondContact CA-O 3.45Å; I727-L732 HydrophobicContact CG1-CB 3.9Å; L732-T743 CarbonylContact C-O 3.58Å; L732-T743 WeakPolarHBondContact CA-O 3.46Å; L732-Y744 HydrophobicContact CD2-CD2 4.05Å; L732-V745 VanDerWaalsContact CA-CG2 3.49Å |
| 733 | A | 93.9 | Very high | 93.4 | Very high | 30 Ų | 30 | 72.6 Ų | 72.6 | 25% | 0.248 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 155.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y742 T743 V745 | A733-Y742 CarbonylContact O-C 3.53Å; A733-Y742 VanDerWaalsContact O-CA 3.26Å; A733-Y742 WeakPolarHBondContact O-CA 3.33Å; A733-T743 PolarHBondContact N-O 2.93Å; A733-T743 PolarHBondContact O-N 3.38Å; A733-T743 PolarHBondContact O-OG1 3.33Å; A733-V745 HydrophobicContact CB-CG1 4.05Å; A733-V745 HydrophobicContact CB-CG2 4.02Å |
| 734 | R | 94.6 | Very high | 93.3 | Very high | 100 Ų | 100 | 74.2 Ų | 74.2 | 38% | 0.377 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 143.9 | 168.1 | -66.6 | -176.6 | -179.2 | 107.4 | 0.3 | 108.8 | E724 I727 V741 Y742 | E724-R734 IonicContact OE1-CZ 2.81Å; E724-R734 IonicContact OE1-NH2 2.75Å; E724-R734 PolarHBondContact OE1-NH2 3.3Å; E724-R734 IonicContact OE2-CZ 3.1Å; E724-R734 IonicContact OE2-NH1 2.68Å; E724-R734 IonicContact OE2-NH2 3.62Å; E724-R734 PolarHBondContact OE2-NH2 2.93Å; I727-R734 HydrophobicContact CD1-CG 4.27Å; R734-V741 WeakPolarHBondContact CA-O 3.36Å; R734-Y742 HydrophobicContact CG-CD1 4.05Å; R734-Y742 HydrophobicContact CG-CE1 3.97Å |
| 735 | T | 91.7 | Very high | 93.1 | Very high | 11 Ų | 11 | 75.8 Ų | 75.8 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | trans | -70.7 | 151 | 174.3 | 71.9 | 0 | 0 | 0 | 0 | 110.9 | E737 D738 V741 T743 | T735-E737 VanDerWaalsContact CB-OE2 3.31Å; T735-E737 WeakPolarHBondContact CB-OE2 3.43Å; T735-E737 PolarHBondContact O-N 3.18Å; T735-E737 PolarHBondContact OG1-OE2 3.44Å; T735-D738 PolarHBondContact OG1-N 3.01Å; T735-D738 PolarHBondContact OG1-O 3.22Å; T735-V741 HydrophobicContact CG2-CB 4.14Å; T735-V741 HydrophobicContact CG2-CG1 3.85Å; T735-V741 PolarHBondContact N-O 3.5Å; T735-T743 HydrophobicContact CG2-CG2 3.57Å | ||
| 736 | P | 85.6 | Confident | 92.4 | Very high | 126 Ų | 126 | 79.9 Ų | 79.9 | 82% | 0.818 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -61.5 | -32.4 | 177.4 | -21.5 | 32.2 | 0 | 0 | 0 | 112.9 | ||
| 737 | E | 89 | Confident | 92.3 | Very high | 147 Ų | 147 | 83.7 Ų | 83.7 | 69% | 0.687 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -84.6 | -32 | -172.5 | -47.8 | 74.5 | -154.1 | 0 | 0 | 113 | T735 | T735-E737 VanDerWaalsContact CB-OE2 3.31Å; T735-E737 WeakPolarHBondContact CB-OE2 3.43Å; T735-E737 PolarHBondContact O-N 3.18Å; T735-E737 PolarHBondContact OG1-OE2 3.44Å |
| 738 | D | 91.4 | Very high | 92.1 | Very high | 64 Ų | 64 | 86.2 Ų | 86.2 | 34% | 0.342 | 43% | 0.425 | S | S | . | . | trans | -147.4 | 114.3 | -179.3 | -175 | -0.1 | 0 | 0 | 0 | 111.8 | T735 K740 V741 | T735-D738 PolarHBondContact OG1-N 3.01Å; T735-D738 PolarHBondContact OG1-O 3.22Å; D738-K740 PolarHBondContact O-N 3.3Å; D738-K740 VanDerWaalsContact O-N 3.09Å; D738-K740 VanDerWaalsContact OD1-CB 3.31Å; D738-K740 WeakPolarHBondContact OD1-CB 3.38Å; D738-K740 PolarHBondContact OD1-N 2.69Å; D738-V741 HydrophobicContact CB-CB 4.46Å; D738-V741 HydrophobicContact CB-CG2 3.99Å; D738-V741 PolarHBondContact O-N 3.38Å | ||
| 739 | R | 88.5 | Confident | 92 | Very high | 203 Ų | 203 | 81.9 Ų | 81.9 | 77% | 0.766 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -13.6 | 177.6 | -69.4 | -173.7 | 174.5 | -169.9 | -1.1 | 114.1 | V741 | R739-V741 VanDerWaalsContact C-N 3.3Š|
| 740 | K | 92 | Very high | 91.8 | Very high | 135 Ų | 135 | 79.8 Ų | 79.8 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -1 | 174 | -60.7 | 177.7 | -179.3 | 174.1 | 0 | 112.6 | Q696 H697 D738 | Q696-K740 CarbonylContact C-O 3.54Å; Q696-K740 WeakPolarHBondContact CA-O 3.33Å; H697-K740 PolarHBondContact N-O 2.96Å; D738-K740 PolarHBondContact O-N 3.3Å; D738-K740 VanDerWaalsContact O-N 3.09Å; D738-K740 VanDerWaalsContact OD1-CB 3.31Å; D738-K740 WeakPolarHBondContact OD1-CB 3.38Å; D738-K740 PolarHBondContact OD1-N 2.69Å |
| 741 | V | 94.3 | Very high | 91.7 | Very high | 21 Ų | 21 | 74.9 Ų | 74.9 | 13% | 0.127 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 130.6 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | K694 R734 T735 D738 R739 | K694-V741 HydrophobicContact CD-CG1 4.18Å; K694-V741 VanDerWaalsContact CE-CG1 3.46Å; K694-V741 HydrophobicContact CG-CG1 3.63Å; R734-V741 WeakPolarHBondContact CA-O 3.36Å; T735-V741 HydrophobicContact CG2-CB 4.14Å; T735-V741 HydrophobicContact CG2-CG1 3.85Å; T735-V741 PolarHBondContact N-O 3.5Å; D738-V741 HydrophobicContact CB-CB 4.46Å; D738-V741 HydrophobicContact CB-CG2 3.99Å; D738-V741 PolarHBondContact O-N 3.38Å; R739-V741 VanDerWaalsContact C-N 3.3Å |
| 742 | Y | 95.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 73.3 Ų | 73.3 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 147.3 | 178.5 | -54.5 | -65 | 0 | 0 | 0 | 110.7 | M689 K694 M695 H697 L700 I723 I727 A733 R734 | M689-Y742 WeakPolarHBondContact CE-O 3.48Å; K694-Y742 CarbonylContact C-O 3.47Å; K694-Y742 VanDerWaalsContact CA-O 3.28Å; K694-Y742 WeakPolarHBondContact CA-O 3.44Å; M695-Y742 PolarHBondContact N-O 3.1Å; M695-Y742 PolarHBondContact O-N 3.26Å; H697-Y742 HydrophobicContact CB-CE2 3.69Å; H697-Y742 AromaticContact CG-CE2 3.99Å; H697-Y742 AromaticContact ND1-CE2 3.47Å; H697-Y742 WeakPolarHBondContact ND1-CE2 3.44Å; H697-Y742 AromaticContact ND1-CZ 3.64Å; H697-Y742 PolarHBondContact ND1-OH 3.48Å; L700-Y742 HydrophobicContact CD2-CD2 3.86Å; L700-Y742 HydrophobicContact CD2-CE2 4.35Å; I723-Y742 HydrophobicContact CD1-CE2 4.16Å; I723-Y742 HydrophobicContact CG2-CD1 4.27Å; I723-Y742 HydrophobicContact CG2-CD2 4.49Å; I723-Y742 HydrophobicContact CG2-CE1 3.83Å; I723-Y742 HydrophobicContact CG2-CE2 4.06Å; I727-Y742 HydrophobicContact CD1-CD1 4.21Å; I727-Y742 HydrophobicContact CD1-CE1 3.97Å; A733-Y742 CarbonylContact O-C 3.53Å; A733-Y742 VanDerWaalsContact O-CA 3.26Å; A733-Y742 WeakPolarHBondContact O-CA 3.33Å; R734-Y742 HydrophobicContact CG-CD1 4.05Å; R734-Y742 HydrophobicContact CG-CE1 3.97Å |
| 743 | T | 94.7 | Very high | 91.3 | Very high | 37 Ų | 37 | 78.4 Ų | 78.4 | 23% | 0.227 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 141.4 | 171.7 | 45.3 | 0 | 0 | 0 | 0 | 110.4 | K693 K694 L732 A733 T735 | K693-T743 CarbonylContact O-C 3.48Å; K693-T743 VanDerWaalsContact O-CA 3.3Å; K693-T743 WeakPolarHBondContact O-CA 3.41Å; K694-T743 HydrophobicContact CB-CG2 4.23Å; K694-T743 HydrophobicContact CD-CG2 4.3Å; K694-T743 HydrophobicContact CG-CG2 4.02Å; L732-T743 CarbonylContact C-O 3.58Å; L732-T743 WeakPolarHBondContact CA-O 3.46Å; A733-T743 PolarHBondContact N-O 2.93Å; A733-T743 PolarHBondContact O-N 3.38Å; A733-T743 PolarHBondContact O-OG1 3.33Å; T735-T743 HydrophobicContact CG2-CG2 3.57Å |
| 744 | Y | 95.3 | Very high | 91.1 | Very high | 35 Ų | 35 | 82.2 Ų | 82.2 | 14% | 0.137 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 130 | 174.3 | -176.4 | -105.2 | 0 | 0 | 0 | 110.4 | V686 M689 K690 K693 Y731 L732 A746 | V686-Y744 HydrophobicContact CG1-CE2 4.22Å; M689-Y744 HydrophobicContact CB-CD2 3.97Å; M689-Y744 HydrophobicContact CB-CG 4.42Å; M689-Y744 WeakPolarHBondContact O-CB 3.42Å; K690-Y744 HydrophobicContact CB-CD1 4.37Å; K690-Y744 HydrophobicContact CB-CD2 4.42Å; K690-Y744 HydrophobicContact CB-CE1 3.95Å; K690-Y744 HydrophobicContact CB-CE2 4.05Å; K690-Y744 HydrophobicContact CG-CE1 3.85Å; K693-Y744 HydrophobicContact CD-CD1 4.41Å; K693-Y744 PolarHBondContact O-N 3.47Å; Y731-Y744 WeakPolarHBondContact O-CD2 3.35Å; L732-Y744 HydrophobicContact CD2-CD2 4.05Å; Y744-A746 WeakPolarHBondContact CE1-O 3.41Å; Y744-A746 HydrophobicContact CE2-CB 4.33Å; Y744-A746 VanDerWaalsContact CZ-O 3.28Å; Y744-A746 PolarHBondContact OH-O 2.91Å |
| 745 | V | 91.2 | Very high | 90.9 | Very high | 84 Ų | 84 | 80.7 Ų | 80.7 | 51% | 0.509 | 43% | 0.425 | S | S | . | . | trans | -119.9 | -8.5 | -170 | -96.6 | 0 | 0 | 0 | 0 | 114.8 | E730 Y731 L732 A733 | E730-V745 VanDerWaalsContact O-CG2 3.31Å; E730-V745 WeakPolarHBondContact O-CG2 3.39Å; Y731-V745 VanDerWaalsContact C-CG2 3.47Å; Y731-V745 WeakPolarHBondContact O-CG2 3.44Å; Y731-V745 PolarHBondContact O-N 2.92Å; L732-V745 VanDerWaalsContact CA-CG2 3.49Å; A733-V745 HydrophobicContact CB-CG1 4.05Å; A733-V745 HydrophobicContact CB-CG2 4.02Å | ||
| 746 | A | 80.7 | Confident | 90.8 | Very high | 97 Ų | 97 | 87 Ų | 87 | 80% | 0.802 | 46% | 0.458 | S | S | * | . | trans | -97 | 0 | -176 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y731 Y744 | Y731-A746 HydrophobicContact CD1-CB 3.94Å; Y731-A746 HydrophobicContact CE1-CB 4.37Å; Y731-A746 HydrophobicContact CG-CB 4.48Å; Y744-A746 WeakPolarHBondContact CE1-O 3.41Å; Y744-A746 HydrophobicContact CE2-CB 4.33Å; Y744-A746 VanDerWaalsContact CZ-O 3.28Å; Y744-A746 PolarHBondContact OH-O 2.91Å |
Retrieved 746 of 746 residues in 353.1 ms
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