| 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 | 40.4 | Very low | 69.8 | Low | 196 Ų | 196 | 78.5 Ų | 78.5 | 97% | 0.966 | 45% | 0.45 | S | S | * | . | 0 | -12.6 | 0 | -70.7 | 179.7 | 176 | 0 | 0 | 114.6 | A3 | M1-A3 PolarHBondContact O-N 2.72Š| |||
| 2 | T | 39.2 | Very low | 71.3 | Confident | 127 Ų | 127 | 72.1 Ų | 72.1 | 78% | 0.779 | 41% | 0.413 | S | S | * | . | trans | -69.4 | -27.6 | -176 | 37.4 | 0 | 0 | 0 | 0 | 115.3 | S4 | T2-S4 PolarHBondContact O-N 2.61Š| ||
| 3 | A | 43.4 | Very low | 72.7 | Confident | 83 Ų | 83 | 67.2 Ų | 67.2 | 69% | 0.686 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.2 | -43.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | M1 N5 W6 | M1-A3 PolarHBondContact O-N 2.72Å; A3-N5 PolarHBondContact O-N 2.9Å; A3-W6 PolarHBondContact O-N 2.67Å |
| 4 | S | 63.9 | Low | 73.5 | Confident | 60 Ų | 60 | 64.5 Ų | 64.5 | 42% | 0.42 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56.8 | -47.9 | -177.6 | 162.9 | 0 | 0 | 0 | 0 | 112.1 | T2 W6 G7 D216 | T2-S4 PolarHBondContact O-N 2.61Å; S4-W6 VanDerWaalsContact C-N 3.27Å; S4-W6 PolarHBondContact O-N 2.7Å; S4-G7 PolarHBondContact O-N 3.32Å; S4-D216 PolarHBondContact OG-OD2 3.36Å; S4-D216 VanDerWaalsContact OG-OD2 3.08Å |
| 5 | N | 78.4 | Confident | 74.2 | Confident | 39 Ų | 39 | 61.9 Ų | 61.9 | 21% | 0.209 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.6 | -26.2 | -177.6 | -61.7 | -70 | 0 | 0 | 0 | 113.7 | A3 L8 I9 R222 | A3-N5 PolarHBondContact O-N 2.9Å; N5-L8 PolarHBondContact O-N 2.65Å; N5-I9 VanDerWaalsContact O-CG1 3.31Å; N5-I9 WeakPolarHBondContact O-CG1 3.44Å; N5-I9 PolarHBondContact O-N 2.8Å; N5-R222 WeakPolarHBondContact OD1-CD 3.4Å |
| 6 | W | 82.3 | Confident | 75.1 | Confident | 147 Ų | 147 | 58.6 Ų | 58.6 | 56% | 0.557 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.8 | -39.9 | -177.2 | -175.5 | -106.9 | 0 | 0 | 0 | 112.2 | A3 S4 L8 I9 M10 | A3-W6 PolarHBondContact O-N 2.67Å; S4-W6 VanDerWaalsContact C-N 3.27Å; S4-W6 PolarHBondContact O-N 2.7Å; W6-L8 VanDerWaalsContact C-N 3.33Å; W6-L8 PolarHBondContact O-N 2.79Å; W6-I9 PolarHBondContact O-N 3.12Å; W6-M10 HydrophobicContact CD2-CG 4.24Å; W6-M10 HydrophobicContact CG-CG 4.41Å; W6-M10 HydrophobicContact CH2-SD 4.34Å; W6-M10 HydrophobicContact CZ2-CE 3.81Å; W6-M10 HydrophobicContact CZ2-CG 4.21Å; W6-M10 HydrophobicContact CZ2-SD 3.79Å; W6-M10 WeakPolarHBondContact O-CG 3.49Å; W6-M10 PolarHBondContact O-N 3.18Å |
| 7 | G | 82.2 | Confident | 75.9 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S4 M10 N11 | S4-G7 PolarHBondContact O-N 3.32Å; G7-M10 PolarHBondContact O-N 2.94Å; G7-N11 WeakPolarHBondContact O-CB 3.35Å; G7-N11 PolarHBondContact O-N 3.47Å |
| 8 | L | 83.1 | Confident | 76.3 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 12% | 0.12 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 176 | -61.5 | 177.8 | 0 | 0 | 0 | 112 | N5 W6 N11 V12 T211 L215 I226 | N5-L8 PolarHBondContact O-N 2.65Å; W6-L8 VanDerWaalsContact C-N 3.33Å; W6-L8 PolarHBondContact O-N 2.79Å; L8-N11 PolarHBondContact O-N 3.44Å; L8-V12 WeakPolarHBondContact O-CG2 3.36Å; L8-V12 PolarHBondContact O-N 3.15Å; L8-T211 HydrophobicContact CB-CG2 4.41Å; L8-T211 HydrophobicContact CD2-CG2 4.33Å; L8-L215 HydrophobicContact CD1-CD1 4.49Å; L8-L215 HydrophobicContact CD1-CD2 4.33Å; L8-L215 HydrophobicContact CD1-CG 3.86Å; L8-I226 HydrophobicContact CB-CD1 4.35Å; L8-I226 HydrophobicContact CD1-CD1 4.04Å |
| 9 | I | 88.3 | Confident | 76.9 | Confident | 14 Ų | 14 | 50.6 Ų | 50.6 | 7% | 0.072 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 174.8 | -69.3 | 163 | 0 | 0 | 0 | 110.3 | N5 W6 N11 V12 V13 I226 A230 | N5-I9 VanDerWaalsContact O-CG1 3.31Å; N5-I9 WeakPolarHBondContact O-CG1 3.44Å; N5-I9 PolarHBondContact O-N 2.8Å; W6-I9 PolarHBondContact O-N 3.12Å; I9-N11 PolarHBondContact O-N 3.2Å; I9-V12 PolarHBondContact O-N 2.87Å; I9-V13 HydrophobicContact CG2-CG2 4.34Å; I9-V13 WeakPolarHBondContact O-CG2 3.4Å; I9-V13 PolarHBondContact O-N 3.44Å; I9-I226 HydrophobicContact CG1-CB 4.29Å; I9-I226 HydrophobicContact CG1-CG1 4.24Å; I9-I226 HydrophobicContact CG1-CG2 3.96Å; I9-A230 HydrophobicContact CG2-CB 4.24Å |
| 10 | M | 83.7 | Confident | 77.5 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.4 | -36 | -178.8 | -67.2 | -62.7 | -106.8 | 0 | 0 | 112.7 | W6 G7 V13 N14 L155 | W6-M10 HydrophobicContact CD2-CG 4.24Å; W6-M10 HydrophobicContact CG-CG 4.41Å; W6-M10 HydrophobicContact CH2-SD 4.34Å; W6-M10 HydrophobicContact CZ2-CE 3.81Å; W6-M10 HydrophobicContact CZ2-CG 4.21Å; W6-M10 HydrophobicContact CZ2-SD 3.79Å; W6-M10 WeakPolarHBondContact O-CG 3.49Å; W6-M10 PolarHBondContact O-N 3.18Å; G7-M10 PolarHBondContact O-N 2.94Å; M10-V13 PolarHBondContact O-N 3.19Å; M10-N14 WeakPolarHBondContact O-CB 3.42Å; M10-N14 PolarHBondContact O-N 3.06Å; M10-L155 HydrophobicContact CB-CD1 4.07Å; M10-L155 HydrophobicContact CE-CD1 4.2Å; M10-L155 HydrophobicContact SD-CD1 4.4Å |
| 11 | N | 83.1 | Confident | 78.2 | Confident | 63 Ų | 63 | 46.1 Ų | 46.1 | 34% | 0.337 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 172.7 | -171.4 | 16.5 | 0 | 0 | 0 | 111.6 | G7 L8 I9 N14 S15 | G7-N11 WeakPolarHBondContact O-CB 3.35Å; G7-N11 PolarHBondContact O-N 3.47Å; L8-N11 PolarHBondContact O-N 3.44Å; I9-N11 PolarHBondContact O-N 3.2Å; N11-N14 PolarHBondContact O-N 3.45Å; N11-S15 WeakPolarHBondContact O-CB 3.26Å; N11-S15 PolarHBondContact O-N 3.04Å |
| 12 | V | 87.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 175.3 | 173.8 | 0 | 0 | 0 | 0 | 111 | L8 I9 N14 S15 I16 T211 F227 A230 | L8-V12 WeakPolarHBondContact O-CG2 3.36Å; L8-V12 PolarHBondContact O-N 3.15Å; I9-V12 PolarHBondContact O-N 2.87Å; V12-N14 PolarHBondContact O-N 3.45Å; V12-S15 PolarHBondContact O-N 2.81Å; V12-S15 PolarHBondContact O-OG 2.98Å; V12-I16 HydrophobicContact CG1-CD1 3.74Å; V12-I16 WeakPolarHBondContact O-CD1 3.33Å; V12-I16 VanDerWaalsContact O-CG1 3.28Å; V12-I16 WeakPolarHBondContact O-CG1 3.38Å; V12-I16 PolarHBondContact O-N 3.25Å; V12-T211 HydrophobicContact CG2-CG2 3.98Å; V12-F227 HydrophobicContact CG1-CD1 4Å; V12-F227 HydrophobicContact CG1-CE1 3.78Å; V12-F227 HydrophobicContact CG2-CE1 4.15Å; V12-A230 HydrophobicContact CB-CB 3.98Å; V12-A230 HydrophobicContact CG1-CB 3.6Å |
| 13 | V | 89.1 | Confident | 83.1 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.1 | -49.2 | 175.2 | 171 | 0 | 0 | 0 | 0 | 111 | I9 M10 S15 I16 V17 L155 A230 V233 V234 | I9-V13 HydrophobicContact CG2-CG2 4.34Å; I9-V13 WeakPolarHBondContact O-CG2 3.4Å; I9-V13 PolarHBondContact O-N 3.44Å; M10-V13 PolarHBondContact O-N 3.19Å; V13-S15 VanDerWaalsContact C-N 3.31Å; V13-S15 PolarHBondContact O-N 3.2Å; V13-I16 PolarHBondContact O-N 3.17Å; V13-I16 VanDerWaalsContact O-N 3.15Å; V13-V17 HydrophobicContact CG1-CG2 4.09Å; V13-V17 WeakPolarHBondContact O-CG2 3.28Å; V13-V17 PolarHBondContact O-N 3.32Å; V13-L155 HydrophobicContact CG1-CD2 4.02Å; V13-A230 HydrophobicContact CG2-CB 3.87Å; V13-V233 HydrophobicContact CG1-CG1 4.27Å; V13-V233 HydrophobicContact CG2-CB 4.25Å; V13-V233 HydrophobicContact CG2-CG1 4.06Å; V13-V234 HydrophobicContact CB-CG2 4.29Å; V13-V234 HydrophobicContact CG1-CG2 3.99Å; V13-V234 HydrophobicContact CG2-CG2 4.18Å |
| 14 | N | 84.8 | Confident | 85.5 | Confident | 29 Ų | 29 | 26.8 Ų | 26.8 | 16% | 0.155 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.1 | -38.5 | 179 | -171.3 | 46.9 | 0 | 0 | 0 | 112.4 | M10 N11 V12 I16 S151 L155 Y158 | M10-N14 WeakPolarHBondContact O-CB 3.42Å; M10-N14 PolarHBondContact O-N 3.06Å; N11-N14 PolarHBondContact O-N 3.45Å; V12-N14 PolarHBondContact O-N 3.45Å; N14-I16 PolarHBondContact O-N 2.7Å; N14-S151 PolarHBondContact ND2-OG 3.36Å; N14-L155 HydrophobicContact CB-CD1 4.26Å; N14-L155 HydrophobicContact CB-CD2 3.85Å; N14-L155 HydrophobicContact CB-CG 4.01Å; N14-Y158 WeakPolarHBondContact OD1-CE2 3.47Å |
| 15 | S | 83.5 | Confident | 86.9 | Confident | 26 Ų | 26 | 24 Ų | 24 | 18% | 0.182 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.9 | -25.2 | 177.7 | 76.4 | 0 | 0 | 0 | 0 | 113.7 | N11 V12 V13 | N11-S15 WeakPolarHBondContact O-CB 3.26Å; N11-S15 PolarHBondContact O-N 3.04Å; V12-S15 PolarHBondContact O-N 2.81Å; V12-S15 PolarHBondContact O-OG 2.98Å; V13-S15 VanDerWaalsContact C-N 3.31Å; V13-S15 PolarHBondContact O-N 3.2Å |
| 16 | I | 89.3 | Confident | 87.6 | Confident | 9 Ų | 9 | 22.5 Ų | 22.5 | 5% | 0.046 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -91.7 | -51.9 | -178.5 | -60.3 | 160.3 | 0 | 0 | 0 | 111.4 | V12 V13 N14 G18 A201 F202 C204 L231 V234 Y238 | V12-I16 HydrophobicContact CG1-CD1 3.74Å; V12-I16 WeakPolarHBondContact O-CD1 3.33Å; V12-I16 VanDerWaalsContact O-CG1 3.28Å; V12-I16 WeakPolarHBondContact O-CG1 3.38Å; V12-I16 PolarHBondContact O-N 3.25Å; V13-I16 PolarHBondContact O-N 3.17Å; V13-I16 VanDerWaalsContact O-N 3.15Å; N14-I16 PolarHBondContact O-N 2.7Å; I16-G18 PolarHBondContact O-N 2.72Å; I16-A201 WeakPolarHBondContact CG2-O 3.5Å; I16-F202 HydrophobicContact CG2-CD1 4.3Å; I16-C204 HydrophobicContact CD1-CB 4.18Å; I16-C204 HydrophobicContact CG1-CB 3.71Å; I16-L231 HydrophobicContact CD1-CD2 4.05Å; I16-V234 HydrophobicContact CB-CG1 4.45Å; I16-V234 HydrophobicContact CB-CG2 4.16Å; I16-V234 HydrophobicContact CD1-CG2 4.23Å; I16-V234 HydrophobicContact CG2-CG1 3.73Å; I16-V234 HydrophobicContact CG2-CG2 4.28Å; I16-Y238 HydrophobicContact CG2-CE2 4.45Å; I16-Y238 PolarHBondContact O-OH 2.98Å |
| 17 | V | 87.3 | Confident | 88 | Confident | 4 Ų | 4 | 15.6 Ų | 15.6 | 2% | 0.024 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -53.2 | -58.1 | -169.7 | 170 | 0 | 0 | 0 | 0 | 111.9 | V13 S20 V21 Y158 V234 F237 Y238 | V13-V17 HydrophobicContact CG1-CG2 4.09Å; V13-V17 WeakPolarHBondContact O-CG2 3.28Å; V13-V17 PolarHBondContact O-N 3.32Å; V17-S20 PolarHBondContact O-N 3.33Å; V17-S20 PolarHBondContact O-OG 3.13Å; V17-V21 HydrophobicContact CG1-CB 4.29Å; V17-V21 HydrophobicContact CG1-CG1 4.32Å; V17-Y158 HydrophobicContact CB-CD2 4.21Å; V17-Y158 HydrophobicContact CB-CE2 4.44Å; V17-Y158 HydrophobicContact CG1-CD1 4.5Å; V17-Y158 HydrophobicContact CG1-CD2 3.63Å; V17-Y158 HydrophobicContact CG1-CE2 4.06Å; V17-Y158 HydrophobicContact CG1-CG 3.9Å; V17-V234 HydrophobicContact CG2-CG1 4.48Å; V17-V234 HydrophobicContact CG2-CG2 4.06Å; V17-F237 HydrophobicContact CG1-CD1 4.2Å; V17-F237 HydrophobicContact CG1-CE1 3.55Å; V17-F237 HydrophobicContact CG1-CZ 4.3Å; V17-F237 HydrophobicContact CG2-CD1 4.09Å; V17-F237 HydrophobicContact CG2-CE1 4.22Å; V17-Y238 VanDerWaalsContact CA-OH 3.32Å; V17-Y238 WeakPolarHBondContact CA-OH 3.44Å; V17-Y238 HydrophobicContact CG2-CE1 4.49Å; V17-Y238 PolarHBondContact O-OH 3.23Å |
| 18 | G | 83.8 | Confident | 88.5 | Confident | 14 Ų | 14 | 13.4 Ų | 13.4 | 14% | 0.144 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 38.9 | -138.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I16 F274 | I16-G18 PolarHBondContact O-N 2.72Å; G18-F274 WeakPolarHBondContact O-CZ 3.32Å |
| 19 | V | 87.4 | Confident | 88.9 | Confident | 6 Ų | 6 | 14.5 Ų | 14.5 | 4% | 0.036 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -21.9 | 179.6 | 69 | 0 | 0 | 0 | 0 | 113.2 | V21 L22 A96 F97 V100 V339 L343 | V19-V21 VanDerWaalsContact C-N 3.29Å; V19-V21 PolarHBondContact O-N 3.28Å; V19-L22 PolarHBondContact O-N 3.2Å; V19-A96 HydrophobicContact CG1-CB 4.1Å; V19-F97 HydrophobicContact CB-CD1 3.82Å; V19-F97 HydrophobicContact CB-CE1 3.82Å; V19-F97 HydrophobicContact CG1-CD1 3.89Å; V19-F97 HydrophobicContact CG1-CE1 3.78Å; V19-F97 HydrophobicContact CG2-CD1 4.38Å; V19-V100 HydrophobicContact CG2-CB 3.98Å; V19-V100 HydrophobicContact CG2-CG1 4.38Å; V19-V100 HydrophobicContact CG2-CG2 3.47Å; V19-V100 VanDerWaalsContact CG2-CG2 3.47Å; V19-V339 HydrophobicContact CG2-CG2 4.37Å; V19-L343 HydrophobicContact CG1-CD1 4.49Å; V19-L343 HydrophobicContact CG1-CD2 4.29Å |
| 20 | S | 89.9 | Confident | 88.9 | Confident | 7 Ų | 7 | 15.9 Ų | 15.9 | 5% | 0.049 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -67.5 | -29.3 | -168.6 | 77.8 | 0 | 0 | 0 | 0 | 113.3 | V17 L22 T23 A201 Y238 | V17-S20 PolarHBondContact O-N 3.33Å; V17-S20 PolarHBondContact O-OG 3.13Å; S20-L22 PolarHBondContact O-N 3.11Å; S20-L22 VanDerWaalsContact O-N 3.14Å; S20-T23 PolarHBondContact O-N 2.94Å; S20-T23 PolarHBondContact O-OG1 2.83Å; S20-A201 VanDerWaalsContact OG-CB 3.28Å; S20-A201 WeakPolarHBondContact OG-CB 3.46Å; S20-Y238 PolarHBondContact OG-OH 3.07Å |
| 21 | V | 91.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -53.3 | -34.5 | 176.9 | 69.8 | 0 | 0 | 0 | 0 | 113 | V17 V19 T23 M24 F161 F237 Y238 V241 F274 | V17-V21 HydrophobicContact CG1-CB 4.29Å; V17-V21 HydrophobicContact CG1-CG1 4.32Å; V19-V21 VanDerWaalsContact C-N 3.29Å; V19-V21 PolarHBondContact O-N 3.28Å; V21-T23 PolarHBondContact O-N 3.4Å; V21-T23 VanDerWaalsContact O-N 3.14Å; V21-M24 WeakPolarHBondContact O-CB 3.48Å; V21-M24 PolarHBondContact O-N 2.61Å; V21-M24 VanDerWaalsContact O-N 3.15Å; V21-F161 HydrophobicContact CG1-CE1 4.01Å; V21-F161 HydrophobicContact CG2-CE1 3.86Å; V21-F237 HydrophobicContact CB-CE1 4.32Å; V21-F237 HydrophobicContact CG2-CD1 4.21Å; V21-F237 HydrophobicContact CG2-CE1 3.54Å; V21-F237 HydrophobicContact CG2-CZ 4.35Å; V21-Y238 HydrophobicContact CB-CD1 4.4Å; V21-Y238 HydrophobicContact CB-CE1 4.08Å; V21-Y238 HydrophobicContact CG2-CD1 4.22Å; V21-Y238 HydrophobicContact CG2-CE1 4.36Å; V21-V241 HydrophobicContact CG2-CB 4.13Å; V21-V241 HydrophobicContact CG2-CG1 3.94Å; V21-V241 HydrophobicContact CG2-CG2 4.11Å; V21-F274 HydrophobicContact CG1-CE2 3.71Å; V21-F274 HydrophobicContact CG1-CZ 3.77Å |
| 22 | L | 91.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | G | 310 helix | trans | -63.5 | -21.4 | 179.5 | -61.9 | -178.2 | 0 | 0 | 0 | 113.3 | V19 S20 V100 F161 V257 L258 F274 | V19-L22 PolarHBondContact O-N 3.2Å; S20-L22 PolarHBondContact O-N 3.11Å; S20-L22 VanDerWaalsContact O-N 3.14Å; L22-V100 HydrophobicContact CD1-CB 4.43Å; L22-V100 HydrophobicContact CD1-CG1 3.57Å; L22-V100 HydrophobicContact CD1-CG2 3.95Å; L22-F161 HydrophobicContact CD2-CE1 4.25Å; L22-F161 HydrophobicContact CD2-CE2 4.17Å; L22-F161 HydrophobicContact CD2-CZ 3.73Å; L22-V257 HydrophobicContact CD2-CG1 4.41Å; L22-V257 WeakPolarHBondContact O-CB 3.29Å; L22-V257 WeakPolarHBondContact O-CG1 3.27Å; L22-V257 PolarHBondContact O-N 3.33Å; L22-L258 HydrophobicContact CD1-CD1 4.49Å; L22-L258 HydrophobicContact CD2-CD1 3.58Å; L22-L258 HydrophobicContact CD2-CG 3.82Å; L22-F274 HydrophobicContact CD1-CD1 3.9Å; L22-F274 HydrophobicContact CD1-CE1 3.43Å; L22-F274 VanDerWaalsContact CD1-CE1 3.43Å; L22-F274 HydrophobicContact CD1-CE2 4.48Å; L22-F274 HydrophobicContact CD1-CZ 3.77Å; L22-F274 HydrophobicContact CD2-CD2 4.13Å; L22-F274 HydrophobicContact CD2-CE1 4.2Å; L22-F274 HydrophobicContact CD2-CE2 3.75Å; L22-F274 HydrophobicContact CD2-CZ 3.8Å; L22-F274 HydrophobicContact CG-CD1 4.47Å; L22-F274 HydrophobicContact CG-CE1 3.79Å; L22-F274 HydrophobicContact CG-CE2 4.04Å; L22-F274 HydrophobicContact CG-CZ 3.54Å |
| 23 | T | 92.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -98.4 | -5.1 | -178.9 | 72.7 | 0 | 0 | 0 | 0 | 113.5 | S20 V21 F26 C27 I197 G255 V339 L343 | S20-T23 PolarHBondContact O-N 2.94Å; S20-T23 PolarHBondContact O-OG1 2.83Å; V21-T23 PolarHBondContact O-N 3.4Å; V21-T23 VanDerWaalsContact O-N 3.14Å; T23-F26 WeakPolarHBondContact O-CB 3.48Å; T23-F26 PolarHBondContact O-N 3.33Å; T23-C27 PolarHBondContact O-N 3.24Å; T23-C27 PolarHBondContact O-SG 3.44Å; T23-I197 WeakPolarHBondContact OG1-CG2 3.45Å; T23-G255 WeakPolarHBondContact CA-O 3.39Å; T23-G255 WeakPolarHBondContact CG2-O 3.2Å; T23-V339 HydrophobicContact CG2-CG1 4Å; T23-V339 HydrophobicContact CG2-CG2 4.29Å; T23-L343 HydrophobicContact CG2-CD1 3.73Å |
| 24 | M | 93.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | 179.4 | -65.8 | -68.3 | 163.4 | 0 | 0 | 113 | V21 F26 C27 F28 L40 A201 Y238 | V21-M24 WeakPolarHBondContact O-CB 3.48Å; V21-M24 PolarHBondContact O-N 2.61Å; V21-M24 VanDerWaalsContact O-N 3.15Å; M24-F26 VanDerWaalsContact C-N 3.28Å; M24-F26 PolarHBondContact O-N 2.99Å; M24-C27 WeakPolarHBondContact O-CB 3.43Å; M24-C27 PolarHBondContact O-N 2.96Å; M24-C27 VanDerWaalsContact O-N 3.16Å; M24-F28 WeakPolarHBondContact O-CD2 3.46Å; M24-F28 PolarHBondContact O-N 2.67Å; M24-L40 HydrophobicContact CE-CD2 4.3Å; M24-L40 HydrophobicContact SD-CD1 4.36Å; M24-L40 HydrophobicContact SD-CD2 3.79Å; M24-A201 HydrophobicContact CE-CB 3.21Å; M24-Y238 HydrophobicContact CE-CD1 3.94Å; M24-Y238 HydrophobicContact CE-CD2 3.4Å; M24-Y238 VanDerWaalsContact CE-CD2 3.4Å; M24-Y238 HydrophobicContact CE-CE1 4.02Å; M24-Y238 HydrophobicContact CE-CE2 3.51Å; M24-Y238 HydrophobicContact CE-CG 3.63Å; M24-Y238 HydrophobicContact CG-CD1 4.07Å; M24-Y238 HydrophobicContact CG-CG 4.13Å; M24-Y238 HydrophobicContact SD-CD1 4.43Å; M24-Y238 HydrophobicContact SD-CD2 4.14Å; M24-Y238 HydrophobicContact SD-CG 3.95Å |
| 25 | P | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.8 | -33.9 | 176.1 | -27 | 40.8 | 0 | 0 | 0 | 112.9 | F28 K29 V241 I253 V257 | P25-F28 PolarHBondContact O-N 3.33Å; P25-K29 PolarHBondContact O-N 3.48Å; P25-V241 HydrophobicContact CG-CG1 4.25Å; P25-I253 HydrophobicContact CB-CD1 4.21Å; P25-I253 HydrophobicContact CB-CG2 4.32Å; P25-V257 HydrophobicContact CB-CB 4.25Å; P25-V257 HydrophobicContact CB-CG2 3.9Å; P25-V257 HydrophobicContact CG-CB 3.93Å; P25-V257 HydrophobicContact CG-CG1 4.08Å; P25-V257 HydrophobicContact CG-CG2 3.82Å |
| 26 | F | 91.6 | Very high | 90.6 | Very high | 8 Ų | 8 | 12.5 Ų | 12.5 | 4% | 0.035 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.1 | -42.3 | 173.1 | 173.2 | -92.9 | 0 | 0 | 0 | 111.7 | T23 M24 F28 K29 Q30 I197 I253 E340 | T23-F26 WeakPolarHBondContact O-CB 3.48Å; T23-F26 PolarHBondContact O-N 3.33Å; M24-F26 VanDerWaalsContact C-N 3.28Å; M24-F26 PolarHBondContact O-N 2.99Å; F26-F28 VanDerWaalsContact C-N 3.32Å; F26-F28 PolarHBondContact O-N 2.93Å; F26-K29 WeakPolarHBondContact O-CB 3.42Å; F26-K29 PolarHBondContact O-N 3.3Å; F26-Q30 HydrophobicContact CD1-CG 4.19Å; F26-Q30 HydrophobicContact CD2-CG 4.43Å; F26-Q30 HydrophobicContact CE1-CG 3.69Å; F26-Q30 HydrophobicContact CE2-CG 3.97Å; F26-Q30 VanDerWaalsContact CE2-NE2 3.29Å; F26-Q30 HydrophobicContact CZ-CG 3.56Å; F26-Q30 WeakPolarHBondContact O-CG 3.44Å; F26-Q30 PolarHBondContact O-N 3.21Å; F26-I197 HydrophobicContact CE1-CD1 4.4Å; F26-I253 HydrophobicContact CB-CG2 4.11Å; F26-E340 HydrophobicContact CD1-CB 4.31Å; F26-E340 HydrophobicContact CE1-CB 4.12Å; F26-E340 WeakPolarHBondContact CE2-OE2 3.5Å; F26-E340 WeakPolarHBondContact CZ-OE1 3.39Å; F26-E340 WeakPolarHBondContact CZ-OE2 3.35Å |
| 27 | C | 92 | Very high | 90.9 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 2% | 0.02 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61 | -41.2 | 173.9 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | T23 M24 Q30 C31 C194 | T23-C27 PolarHBondContact O-N 3.24Å; T23-C27 PolarHBondContact O-SG 3.44Å; M24-C27 WeakPolarHBondContact O-CB 3.43Å; M24-C27 PolarHBondContact O-N 2.96Å; M24-C27 VanDerWaalsContact O-N 3.16Å; C27-Q30 PolarHBondContact O-N 3.04Å; C27-C31 WeakPolarHBondContact O-CB 3.47Å; C27-C31 PolarHBondContact O-N 3.22Å; C27-C194 HydrophobicContact CB-CB 4.39Å; C27-C194 PolarHBondContact O-SG 3.38Å |
| 28 | F | 92.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.3 | -38 | 174.9 | -87.8 | -117.3 | 0 | 0 | 0 | 112.6 | M24 P25 F26 G32 I33 T37 L40 F243 Y246 | M24-F28 WeakPolarHBondContact O-CD2 3.46Å; M24-F28 PolarHBondContact O-N 2.67Å; P25-F28 PolarHBondContact O-N 3.33Å; F26-F28 VanDerWaalsContact C-N 3.32Å; F26-F28 PolarHBondContact O-N 2.93Å; F28-G32 CarbonylContact O-C 3.57Å; F28-G32 WeakPolarHBondContact O-CA 3.39Å; F28-G32 PolarHBondContact O-N 3.44Å; F28-I33 HydrophobicContact CD1-CG1 4.49Å; F28-I33 HydrophobicContact CE1-CG2 4.42Å; F28-T37 WeakPolarHBondContact CE1-OG1 3.44Å; F28-L40 HydrophobicContact CE2-CD1 3.71Å; F28-L40 HydrophobicContact CE2-CG 4.42Å; F28-L40 HydrophobicContact CZ-CD1 4.16Å; F28-F243 HydrophobicContact CD1-CB 4.47Å; F28-F243 HydrophobicContact CE1-CB 4.14Å; F28-Y246 HydrophobicContact CB-CD1 3.78Å; F28-Y246 HydrophobicContact CB-CG 3.98Å; F28-Y246 VanDerWaalsContact O-CE1 3.3Å; F28-Y246 WeakPolarHBondContact O-CE1 3.47Å |
| 29 | K | 90.8 | Very high | 91.7 | Very high | 45 Ų | 45 | 18.4 Ų | 18.4 | 20% | 0.196 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | 170.7 | 163.5 | 179.8 | 162.4 | 178.9 | 0 | 113.2 | P25 F26 Y246 E251 I253 | P25-K29 PolarHBondContact O-N 3.48Å; F26-K29 WeakPolarHBondContact O-CB 3.42Å; F26-K29 PolarHBondContact O-N 3.3Å; K29-Y246 HydrophobicContact CB-CD2 3.96Å; K29-Y246 HydrophobicContact CB-CE2 3.82Å; K29-Y246 HydrophobicContact CG-CE2 4.45Å; K29-E251 WeakPolarHBondContact CE-O 3.48Å; K29-E251 PolarHBondContact NZ-O 2.9Å; K29-I253 HydrophobicContact CB-CD1 4.38Å; K29-I253 HydrophobicContact CD-CB 3.82Å; K29-I253 PolarHBondContact NZ-O 2.93Å |
| 30 | Q | 89.9 | Confident | 92.1 | Very high | 43 Ų | 43 | 18.2 Ų | 18.2 | 20% | 0.201 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -78.4 | -34.9 | -177.1 | -66.2 | -66.1 | 2.3 | 0 | 0 | 113 | F26 C27 R187 G190 | F26-Q30 HydrophobicContact CD1-CG 4.19Å; F26-Q30 HydrophobicContact CD2-CG 4.43Å; F26-Q30 HydrophobicContact CE1-CG 3.69Å; F26-Q30 HydrophobicContact CE2-CG 3.97Å; F26-Q30 VanDerWaalsContact CE2-NE2 3.29Å; F26-Q30 HydrophobicContact CZ-CG 3.56Å; F26-Q30 WeakPolarHBondContact O-CG 3.44Å; F26-Q30 PolarHBondContact O-N 3.21Å; C27-Q30 PolarHBondContact O-N 3.04Å; Q30-R187 WeakPolarHBondContact O-CD 3.42Å; Q30-G190 WeakPolarHBondContact O-CA 3.29Å |
| 31 | C | 89.9 | Confident | 92.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -98.5 | -20.7 | -176.5 | -79.1 | 0 | 0 | 0 | 0 | 114.5 | C27 L35 R187 V191 C194 | C27-C31 WeakPolarHBondContact O-CB 3.47Å; C27-C31 PolarHBondContact O-N 3.22Å; C31-L35 WeakPolarHBondContact O-CB 3.38Å; C31-R187 PolarHBondContact O-N 2.91Å; C31-V191 WeakPolarHBondContact SG-CA 3.43Å; C31-C194 HydrophobicContact CB-CB 4.38Å; C31-C194 WeakPolarHBondContact CB-SG 3.46Å; C31-C194 WeakPolarHBondContact SG-CB 3.48Å; C31-C194 CovalentContact SG-SG 2.05Å; C31-C194 PolarHBondContact SG-SG 3.12Å |
| 32 | G | 89.9 | Confident | 92.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | 79.3 | 159.8 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F28 V34 G36 Y184 V185 | F28-G32 CarbonylContact O-C 3.57Å; F28-G32 WeakPolarHBondContact O-CA 3.39Å; F28-G32 PolarHBondContact O-N 3.44Å; G32-V34 PolarHBondContact O-N 2.87Å; G32-G36 PolarHBondContact O-N 3.39Å; G32-Y184 WeakPolarHBondContact CA-O 3.4Å; G32-V185 CarbonylContact C-O 3.54Å | ||
| 33 | I | 90.9 | Very high | 92.6 | Very high | 27 Ų | 27 | 27.7 Ų | 27.7 | 14% | 0.138 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.7 | -54 | -170.3 | -66.2 | 165 | 0 | 0 | 0 | 112.8 | F28 T37 W179 V183 Y184 V185 F243 Y246 | F28-I33 HydrophobicContact CD1-CG1 4.49Å; F28-I33 HydrophobicContact CE1-CG2 4.42Å; I33-T37 WeakPolarHBondContact O-CB 3.45Å; I33-T37 PolarHBondContact O-N 2.95Å; I33-T37 PolarHBondContact O-OG1 3.09Å; I33-W179 HydrophobicContact CD1-CZ3 3.99Å; I33-V183 HydrophobicContact CD1-CG1 3.39Å; I33-V183 HydrophobicContact CG1-CG1 3.93Å; I33-Y184 PolarHBondContact N-O 3.21Å; I33-V185 PolarHBondContact N-O 3.4Å; I33-F243 HydrophobicContact CD1-CD2 4.01Å; I33-F243 HydrophobicContact CD1-CE2 3.78Å; I33-F243 HydrophobicContact CG1-CD2 4.14Å; I33-F243 HydrophobicContact CG1-CE2 4.42Å; I33-F243 HydrophobicContact CG2-CD2 3.86Å; I33-F243 HydrophobicContact CG2-CE2 4.26Å; I33-Y246 HydrophobicContact CG1-CD1 3.88Å; I33-Y246 HydrophobicContact CG1-CE1 4.12Å |
| 34 | V | 91.9 | Very high | 92.7 | Very high | 71 Ų | 71 | 28.1 Ų | 28.1 | 43% | 0.43 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -67.3 | -44.9 | -170.6 | 172.9 | 0 | 0 | 0 | 0 | 109.8 | G32 T37 L38 V185 V186 | G32-V34 PolarHBondContact O-N 2.87Å; V34-T37 PolarHBondContact O-N 3.13Å; V34-L38 HydrophobicContact CG1-CD1 3.99Å; V34-L38 WeakPolarHBondContact O-CB 3.31Å; V34-L38 VanDerWaalsContact O-CG 3.29Å; V34-L38 WeakPolarHBondContact O-CG 3.4Å; V34-L38 PolarHBondContact O-N 3.33Å; V34-V185 HydrophobicContact CB-CG1 4.34Å; V34-V185 HydrophobicContact CG2-CG1 3.56Å; V34-V185 PolarHBondContact N-O 3.43Å; V34-V186 HydrophobicContact CB-CG2 4.4Å |
| 35 | L | 91.6 | Very high | 92.7 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 11% | 0.11 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.7 | -35.3 | -177.1 | -167.7 | 58 | 0 | 0 | 0 | 112.1 | C31 L39 V186 W188 V191 | C31-L35 WeakPolarHBondContact O-CB 3.38Å; L35-L39 WeakPolarHBondContact O-CB 3.42Å; L35-L39 PolarHBondContact O-N 2.94Å; L35-V186 HydrophobicContact CB-CG1 4.41Å; L35-V186 HydrophobicContact CD2-CG1 3.93Å; L35-W188 HydrophobicContact CD1-CE3 4.38Å; L35-W188 HydrophobicContact CD1-CH2 4.02Å; L35-W188 HydrophobicContact CD1-CZ3 3.87Å; L35-W188 HydrophobicContact CD2-CD2 3.99Å; L35-W188 HydrophobicContact CD2-CE3 3.85Å; L35-W188 HydrophobicContact CD2-CG 4.48Å; L35-W188 HydrophobicContact CD2-CZ3 4.18Å; L35-V191 HydrophobicContact CD2-CG2 3.29Å; L35-V191 HydrophobicContact CG-CG2 3.87Å |
| 36 | G | 92.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G32 L39 L40 | G32-G36 PolarHBondContact O-N 3.39Å; G36-L39 PolarHBondContact O-N 3.48Å; G36-L40 WeakPolarHBondContact O-CG 3.38Å; G36-L40 PolarHBondContact O-N 3.33Å |
| 37 | T | 94.4 | Very high | 92.8 | Very high | 31 Ų | 31 | 35.4 Ų | 35.4 | 19% | 0.19 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.9 | -47.8 | 175.6 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | F28 I33 V34 L39 L40 F41 I239 | F28-T37 WeakPolarHBondContact CE1-OG1 3.44Å; I33-T37 WeakPolarHBondContact O-CB 3.45Å; I33-T37 PolarHBondContact O-N 2.95Å; I33-T37 PolarHBondContact O-OG1 3.09Å; V34-T37 PolarHBondContact O-N 3.13Å; T37-L39 VanDerWaalsContact C-N 3.3Å; T37-L39 PolarHBondContact O-N 3.14Å; T37-L40 PolarHBondContact O-N 3.03Å; T37-F41 HydrophobicContact CG2-CD2 4.08Å; T37-F41 HydrophobicContact CG2-CE2 3.84Å; T37-F41 VanDerWaalsContact O-CD2 3.29Å; T37-F41 WeakPolarHBondContact O-CD2 3.38Å; T37-F41 PolarHBondContact O-N 3.4Å; T37-F41 VanDerWaalsContact O-N 3.13Å; T37-I239 HydrophobicContact CG2-CD1 3.99Å; T37-I239 HydrophobicContact CG2-CG1 4.23Å; T37-I239 HydrophobicContact CG2-CG2 4.3Å |
| 38 | L | 94.6 | Very high | 92.9 | Very high | 105 Ų | 105 | 37.3 Ų | 37.3 | 55% | 0.55 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61 | -38.4 | 174.8 | -71.8 | 170.6 | 0 | 0 | 0 | 112.1 | V34 F41 F42 | V34-L38 HydrophobicContact CG1-CD1 3.99Å; V34-L38 WeakPolarHBondContact O-CB 3.31Å; V34-L38 VanDerWaalsContact O-CG 3.29Å; V34-L38 WeakPolarHBondContact O-CG 3.4Å; V34-L38 PolarHBondContact O-N 3.33Å; L38-F41 PolarHBondContact O-N 2.98Å; L38-F42 WeakPolarHBondContact O-CB 3.45Å; L38-F42 PolarHBondContact O-N 3.04Å |
| 39 | L | 93.4 | Very high | 92.9 | Very high | 15 Ų | 15 | 39.2 Ų | 39.2 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 176 | 176.9 | 60.1 | 0 | 0 | 0 | 112.2 | L35 G36 T37 F42 C43 C194 I195 C198 | L35-L39 WeakPolarHBondContact O-CB 3.42Å; L35-L39 PolarHBondContact O-N 2.94Å; G36-L39 PolarHBondContact O-N 3.48Å; T37-L39 VanDerWaalsContact C-N 3.3Å; T37-L39 PolarHBondContact O-N 3.14Å; L39-F42 HydrophobicContact CD1-CD1 4.45Å; L39-F42 PolarHBondContact O-N 3.49Å; L39-C43 WeakPolarHBondContact O-CB 3.37Å; L39-C43 PolarHBondContact O-N 2.94Å; L39-C43 PolarHBondContact O-SG 2.88Å; L39-C43 VanDerWaalsContact O-SG 3.4Å; L39-C194 HydrophobicContact CD2-CB 3.36Å; L39-I195 HydrophobicContact CD1-CG1 3.61Å; L39-I195 HydrophobicContact CD2-CG1 4.26Å; L39-C198 HydrophobicContact CD2-CB 4.19Å; L39-C198 HydrophobicContact CG-CB 4.12Å |
| 40 | L | 95.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.1 | -71.4 | -178.6 | 0 | 0 | 0 | 111.9 | M24 F28 G36 T37 F42 C43 S44 C198 F202 Y238 I239 | M24-L40 HydrophobicContact CE-CD2 4.3Å; M24-L40 HydrophobicContact SD-CD1 4.36Å; M24-L40 HydrophobicContact SD-CD2 3.79Å; F28-L40 HydrophobicContact CE2-CD1 3.71Å; F28-L40 HydrophobicContact CE2-CG 4.42Å; F28-L40 HydrophobicContact CZ-CD1 4.16Å; G36-L40 WeakPolarHBondContact O-CG 3.38Å; G36-L40 PolarHBondContact O-N 3.33Å; T37-L40 PolarHBondContact O-N 3.03Å; L40-F42 VanDerWaalsContact C-N 3.33Å; L40-F42 PolarHBondContact O-N 2.87Å; L40-C43 PolarHBondContact O-N 3.44Å; L40-S44 WeakPolarHBondContact O-CB 3.49Å; L40-S44 PolarHBondContact O-N 3.14Å; L40-C198 HydrophobicContact CD2-CB 4.22Å; L40-F202 HydrophobicContact CB-CE2 4.33Å; L40-F202 HydrophobicContact CD2-CE2 3.79Å; L40-F202 HydrophobicContact CD2-CZ 4.45Å; L40-F202 WeakPolarHBondContact O-CE2 3.38Å; L40-Y238 HydrophobicContact CD2-CD2 4.36Å; L40-I239 HydrophobicContact CB-CG1 4.28Å; L40-I239 HydrophobicContact CD1-CB 4.47Å; L40-I239 HydrophobicContact CD1-CG1 3.69Å |
| 41 | F | 95.6 | Very high | 93.2 | Very high | 112 Ų | 112 | 35 Ų | 35 | 49% | 0.491 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.3 | -40.3 | 173.4 | -79.2 | -64.8 | 0 | 0 | 0 | 112.5 | T37 L38 S44 W45 T235 I239 | T37-F41 HydrophobicContact CG2-CD2 4.08Å; T37-F41 HydrophobicContact CG2-CE2 3.84Å; T37-F41 VanDerWaalsContact O-CD2 3.29Å; T37-F41 WeakPolarHBondContact O-CD2 3.38Å; T37-F41 PolarHBondContact O-N 3.4Å; T37-F41 VanDerWaalsContact O-N 3.13Å; L38-F41 PolarHBondContact O-N 2.98Å; F41-S44 PolarHBondContact O-N 2.96Å; F41-W45 WeakPolarHBondContact O-CB 3.33Å; F41-W45 PolarHBondContact O-N 3.06Å; F41-T235 HydrophobicContact CD1-CG2 3.87Å; F41-T235 HydrophobicContact CE1-CG2 3.9Å; F41-T235 HydrophobicContact CG-CG2 4.43Å; F41-T235 HydrophobicContact CZ-CG2 4.49Å; F41-I239 HydrophobicContact CD2-CD1 4.12Å; F41-I239 HydrophobicContact CE1-CD1 4.35Å; F41-I239 HydrophobicContact CE2-CD1 3.52Å; F41-I239 HydrophobicContact CZ-CD1 3.66Å |
| 42 | F | 94.1 | Very high | 93.3 | Very high | 91 Ų | 91 | 35.6 Ų | 35.6 | 40% | 0.399 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.8 | -47.5 | 177.3 | 178.5 | -102.5 | 0 | 0 | 0 | 112.6 | L38 L39 L40 W45 M46 V379 | L38-F42 WeakPolarHBondContact O-CB 3.45Å; L38-F42 PolarHBondContact O-N 3.04Å; L39-F42 HydrophobicContact CD1-CD1 4.45Å; L39-F42 PolarHBondContact O-N 3.49Å; L40-F42 VanDerWaalsContact C-N 3.33Å; L40-F42 PolarHBondContact O-N 2.87Å; F42-W45 PolarHBondContact O-N 3.12Å; F42-M46 HydrophobicContact CD1-CG 4.4Å; F42-M46 HydrophobicContact CE1-CG 4.12Å; F42-M46 HydrophobicContact CE2-CG 4.38Å; F42-M46 HydrophobicContact CZ-CG 4.13Å; F42-M46 HydrophobicContact CZ-SD 4.45Å; F42-M46 WeakPolarHBondContact O-CB 3.48Å; F42-M46 VanDerWaalsContact O-CG 3.29Å; F42-M46 WeakPolarHBondContact O-CG 3.29Å; F42-M46 PolarHBondContact O-N 3.03Å; F42-V379 HydrophobicContact CE1-CG1 4.13Å; F42-V379 HydrophobicContact CZ-CG1 3.69Å |
| 43 | C | 93.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63 | -41.7 | 175.7 | -70.2 | 0 | 0 | 0 | 0 | 111.6 | L39 L40 M46 T47 C198 F202 | L39-C43 WeakPolarHBondContact O-CB 3.37Å; L39-C43 PolarHBondContact O-N 2.94Å; L39-C43 PolarHBondContact O-SG 2.88Å; L39-C43 VanDerWaalsContact O-SG 3.4Å; L40-C43 PolarHBondContact O-N 3.44Å; C43-M46 PolarHBondContact O-N 3.43Å; C43-T47 WeakPolarHBondContact O-CB 3.47Å; C43-T47 PolarHBondContact O-N 3.42Å; C43-T47 PolarHBondContact O-OG1 3Å; C43-C198 HydrophobicContact CB-CB 4.48Å; C43-F202 HydrophobicContact CB-CD2 3.66Å; C43-F202 HydrophobicContact CB-CE2 4.09Å |
| 44 | S | 95.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 35 Ų | 35 | 6% | 0.056 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 175.7 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | L40 F41 T47 H48 T235 | L40-S44 WeakPolarHBondContact O-CB 3.49Å; L40-S44 PolarHBondContact O-N 3.14Å; F41-S44 PolarHBondContact O-N 2.96Å; S44-T47 PolarHBondContact O-N 3.47Å; S44-H48 PolarHBondContact O-N 3.06Å; S44-T235 VanDerWaalsContact CB-OG1 3.31Å; S44-T235 WeakPolarHBondContact CB-OG1 3.23Å; S44-T235 PolarHBondContact OG-OG1 3.08Å |
| 45 | W | 94.4 | Very high | 93.4 | Very high | 155 Ų | 155 | 31.7 Ų | 31.7 | 59% | 0.587 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -62.7 | -44.5 | 173.8 | 174.8 | -88.2 | 0 | 0 | 0 | 112.7 | F41 F42 H48 K49 | F41-W45 WeakPolarHBondContact O-CB 3.33Å; F41-W45 PolarHBondContact O-N 3.06Å; F42-W45 PolarHBondContact O-N 3.12Å; W45-H48 PolarHBondContact O-N 3.5Å; W45-K49 VanDerWaalsContact CE2-CE 3.48Å; W45-K49 WeakPolarHBondContact O-CG 3.43Å; W45-K49 PolarHBondContact O-N 3.18Å |
| 46 | M | 93.1 | Very high | 93.3 | Very high | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.034 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 176.3 | -78.2 | -74.8 | -66.6 | 0 | 0 | 111.7 | F42 C43 K49 S50 F356 V376 V379 | F42-M46 HydrophobicContact CD1-CG 4.4Å; F42-M46 HydrophobicContact CE1-CG 4.12Å; F42-M46 HydrophobicContact CE2-CG 4.38Å; F42-M46 HydrophobicContact CZ-CG 4.13Å; F42-M46 HydrophobicContact CZ-SD 4.45Å; F42-M46 WeakPolarHBondContact O-CB 3.48Å; F42-M46 VanDerWaalsContact O-CG 3.29Å; F42-M46 WeakPolarHBondContact O-CG 3.29Å; F42-M46 PolarHBondContact O-N 3.03Å; C43-M46 PolarHBondContact O-N 3.43Å; M46-K49 PolarHBondContact O-N 3.1Å; M46-S50 VanDerWaalsContact O-CB 3.29Å; M46-S50 WeakPolarHBondContact O-CB 3.03Å; M46-S50 PolarHBondContact O-N 3.35Å; M46-F356 HydrophobicContact CB-CD1 4.12Å; M46-F356 HydrophobicContact CB-CE1 3.68Å; M46-F356 HydrophobicContact CB-CZ 4.37Å; M46-F356 HydrophobicContact CE-CB 4.23Å; M46-F356 HydrophobicContact CE-CD1 3.76Å; M46-F356 HydrophobicContact CE-CD2 4.49Å; M46-F356 HydrophobicContact CE-CE1 4.29Å; M46-F356 HydrophobicContact CE-CG 3.9Å; M46-V376 HydrophobicContact CE-CB 4.4Å; M46-V376 HydrophobicContact CE-CG1 3.9Å; M46-V376 HydrophobicContact CE-CG2 4.48Å; M46-V376 HydrophobicContact SD-CB 4.49Å; M46-V376 HydrophobicContact SD-CG1 4.42Å; M46-V376 HydrophobicContact SD-CG2 3.96Å; M46-V379 HydrophobicContact CE-CB 3.93Å; M46-V379 HydrophobicContact CE-CG1 3.44Å; M46-V379 VanDerWaalsContact CE-CG1 3.44Å; M46-V379 HydrophobicContact SD-CB 4.38Å; M46-V379 HydrophobicContact SD-CG1 3.93Å |
| 47 | T | 93.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62 | -44 | 173.6 | -76.9 | 0 | 0 | 0 | 0 | 111.4 | C43 S44 K49 S50 C51 F202 L231 | C43-T47 WeakPolarHBondContact O-CB 3.47Å; C43-T47 PolarHBondContact O-N 3.42Å; C43-T47 PolarHBondContact O-OG1 3Å; S44-T47 PolarHBondContact O-N 3.47Å; T47-K49 PolarHBondContact O-N 3.26Å; T47-S50 WeakPolarHBondContact O-CB 3.47Å; T47-S50 PolarHBondContact O-N 3.05Å; T47-C51 PolarHBondContact O-N 3.45Å; T47-C51 PolarHBondContact O-SG 2.86Å; T47-F202 HydrophobicContact CG2-CB 4.38Å; T47-F202 WeakPolarHBondContact CG2-O 3.49Å; T47-F202 PolarHBondContact OG1-O 2.92Å; T47-L231 HydrophobicContact CG2-CD1 4.08Å; T47-L231 HydrophobicContact CG2-CD2 3.76Å |
| 48 | H | 93.9 | Very high | 93 | Very high | 42 Ų | 42 | 32.4 Ų | 32.4 | 19% | 0.194 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 177.7 | -179.5 | -118.5 | 0 | 0 | 0 | 112.4 | S44 W45 S50 C51 M52 S224 T228 L231 | S44-H48 PolarHBondContact O-N 3.06Å; W45-H48 PolarHBondContact O-N 3.5Å; H48-S50 VanDerWaalsContact C-N 3.33Å; H48-S50 PolarHBondContact O-N 3.23Å; H48-C51 PolarHBondContact O-N 3.35Å; H48-M52 WeakPolarHBondContact O-CB 3.4Å; H48-M52 VanDerWaalsContact O-CG 3.31Å; H48-M52 WeakPolarHBondContact O-CG 3.33Å; H48-M52 PolarHBondContact O-N 3.48Å; H48-S224 PolarHBondContact NE2-O 2.73Å; H48-S224 PolarHBondContact NE2-OG 3Å; H48-T228 PolarHBondContact NE2-OG1 3.03Å; H48-L231 HydrophobicContact CB-CD1 3.74Å |
| 49 | K | 92.6 | Very high | 92.6 | Very high | 42 Ų | 42 | 29.8 Ų | 29.8 | 18% | 0.183 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 176.4 | -63.3 | -52.1 | -178 | -165.3 | 0 | 111.8 | W45 M46 T47 M52 F53 I372 V376 | W45-K49 VanDerWaalsContact CE2-CE 3.48Å; W45-K49 WeakPolarHBondContact O-CG 3.43Å; W45-K49 PolarHBondContact O-N 3.18Å; M46-K49 PolarHBondContact O-N 3.1Å; T47-K49 PolarHBondContact O-N 3.26Å; K49-M52 PolarHBondContact O-N 3.01Å; K49-F53 HydrophobicContact CB-CE2 4.48Å; K49-F53 HydrophobicContact CB-CZ 4.45Å; K49-F53 WeakPolarHBondContact O-CD2 3.42Å; K49-F53 WeakPolarHBondContact O-CG 3.47Å; K49-F53 PolarHBondContact O-N 2.96Å; K49-I372 HydrophobicContact CG-CG2 4.45Å; K49-V376 HydrophobicContact CB-CG2 4.32Å |
| 50 | S | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -51.5 | 176.1 | 167.8 | 0 | 0 | 0 | 0 | 113.4 | M46 T47 H48 M52 F53 L54 C355 P359 | M46-S50 VanDerWaalsContact O-CB 3.29Å; M46-S50 WeakPolarHBondContact O-CB 3.03Å; M46-S50 PolarHBondContact O-N 3.35Å; T47-S50 WeakPolarHBondContact O-CB 3.47Å; T47-S50 PolarHBondContact O-N 3.05Å; H48-S50 VanDerWaalsContact C-N 3.33Å; H48-S50 PolarHBondContact O-N 3.23Å; S50-M52 VanDerWaalsContact C-N 3.27Å; S50-M52 PolarHBondContact O-N 3.48Å; S50-F53 WeakPolarHBondContact O-CB 3.47Å; S50-F53 PolarHBondContact O-N 2.78Å; S50-L54 PolarHBondContact O-N 3.21Å; S50-L54 VanDerWaalsContact O-N 3.15Å; S50-C355 WeakPolarHBondContact CB-O 3.32Å; S50-C355 PolarHBondContact OG-O 3.1Å; S50-P359 WeakPolarHBondContact OG-CG 3.2Å |
| 51 | C | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62 | -38 | 177.4 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | T47 H48 F53 L54 V55 C204 V208 F227 | T47-C51 PolarHBondContact O-N 3.45Å; T47-C51 PolarHBondContact O-SG 2.86Å; H48-C51 PolarHBondContact O-N 3.35Å; C51-F53 PolarHBondContact O-N 3.5Å; C51-L54 PolarHBondContact O-N 3.41Å; C51-V55 WeakPolarHBondContact O-CG2 3.34Å; C51-V55 PolarHBondContact O-N 3.09Å; C51-C204 VanDerWaalsContact SG-SG 3.7Å; C51-V208 HydrophobicContact CB-CG1 4.47Å; C51-V208 HydrophobicContact CB-CG2 3.75Å; C51-V208 WeakPolarHBondContact SG-CG2 3.31Å; C51-F227 HydrophobicContact CB-CD2 4.23Å; C51-F227 HydrophobicContact CB-CE2 4.3Å; C51-F227 HydrophobicContact CB-CG 4.42Å |
| 52 | M | 91.6 | Very high | 91.3 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 6% | 0.064 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.9 | -35.6 | 173 | -72.6 | -60.7 | 101.5 | 0 | 0 | 113.4 | H48 K49 S50 V55 H56 S224 F227 | H48-M52 WeakPolarHBondContact O-CB 3.4Å; H48-M52 VanDerWaalsContact O-CG 3.31Å; H48-M52 WeakPolarHBondContact O-CG 3.33Å; H48-M52 PolarHBondContact O-N 3.48Å; K49-M52 PolarHBondContact O-N 3.01Å; S50-M52 VanDerWaalsContact C-N 3.27Å; S50-M52 PolarHBondContact O-N 3.48Å; M52-V55 HydrophobicContact CE-CB 4.37Å; M52-V55 HydrophobicContact CE-CG2 4.14Å; M52-V55 PolarHBondContact O-N 3.31Å; M52-H56 WeakPolarHBondContact O-CB 3.46Å; M52-H56 PolarHBondContact O-N 3.33Å; M52-H56 PolarHBondContact O-ND1 3.02Å; M52-S224 VanDerWaalsContact SD-CB 3.55Å; M52-F227 HydrophobicContact CE-CD2 3.68Å; M52-F227 HydrophobicContact CE-CE2 4.48Å |
| 53 | F | 92 | Very high | 90.6 | Very high | 15 Ų | 15 | 38.9 Ų | 38.9 | 7% | 0.066 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.1 | -40.5 | 173.2 | -68.7 | -25.7 | 0 | 0 | 0 | 112.3 | K49 S50 C51 T57 P359 Y363 I372 V376 | K49-F53 HydrophobicContact CB-CE2 4.48Å; K49-F53 HydrophobicContact CB-CZ 4.45Å; K49-F53 WeakPolarHBondContact O-CD2 3.42Å; K49-F53 WeakPolarHBondContact O-CG 3.47Å; K49-F53 PolarHBondContact O-N 2.96Å; S50-F53 WeakPolarHBondContact O-CB 3.47Å; S50-F53 PolarHBondContact O-N 2.78Å; C51-F53 PolarHBondContact O-N 3.5Å; F53-T57 WeakPolarHBondContact O-CG2 3.26Å; F53-T57 PolarHBondContact O-N 2.84Å; F53-T57 VanDerWaalsContact O-N 3.14Å; F53-T57 PolarHBondContact O-OG1 3.24Å; F53-P359 HydrophobicContact CB-CB 4.39Å; F53-Y363 HydrophobicContact CB-CD2 3.95Å; F53-Y363 HydrophobicContact CB-CG 4.01Å; F53-Y363 AromaticContact CD1-CD1 3.83Å; F53-Y363 HydrophobicContact CD1-CD1 3.83Å; F53-Y363 AromaticContact CD1-CD2 3.56Å; F53-Y363 HydrophobicContact CD1-CD2 3.56Å; F53-Y363 HydrophobicContact CD1-CE1 4.1Å; F53-Y363 AromaticContact CD1-CE2 3.87Å; F53-Y363 HydrophobicContact CD1-CE2 3.87Å; F53-Y363 AromaticContact CD1-CG 3.56Å; F53-Y363 HydrophobicContact CD1-CG 3.56Å; F53-Y363 HydrophobicContact CE1-CD1 4.01Å; F53-Y363 HydrophobicContact CE1-CD2 4.44Å; F53-Y363 HydrophobicContact CE1-CE1 4.05Å; F53-Y363 HydrophobicContact CE1-CE2 4.5Å; F53-Y363 HydrophobicContact CE1-CG 4.22Å; F53-Y363 HydrophobicContact CG-CD1 4.4Å; F53-Y363 HydrophobicContact CG-CD2 4.04Å; F53-Y363 AromaticContact CG-CG 3.86Å; F53-Y363 HydrophobicContact CG-CG 3.86Å; F53-I372 HydrophobicContact CZ-CG2 4.2Å; F53-V376 HydrophobicContact CE2-CB 4.02Å; F53-V376 HydrophobicContact CE2-CG1 4.11Å; F53-V376 HydrophobicContact CE2-CG2 4.05Å; F53-V376 HydrophobicContact CZ-CG2 4.44Å |
| 54 | L | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.3 | -46.3 | 174.6 | -63.8 | 177.3 | 0 | 0 | 0 | 111.7 | S50 C51 H56 T57 A58 Y66 Q205 V208 L209 P359 | S50-L54 PolarHBondContact O-N 3.21Å; S50-L54 VanDerWaalsContact O-N 3.15Å; C51-L54 PolarHBondContact O-N 3.41Å; L54-H56 PolarHBondContact O-N 3.45Å; L54-T57 PolarHBondContact O-N 3.1Å; L54-T57 PolarHBondContact O-OG1 2.94Å; L54-T57 VanDerWaalsContact O-OG1 3.07Å; L54-A58 WeakPolarHBondContact O-CB 3.46Å; L54-A58 PolarHBondContact O-N 3.01Å; L54-Y66 HydrophobicContact CD1-CD1 4.2Å; L54-Y66 HydrophobicContact CD1-CE1 3.88Å; L54-Y66 HydrophobicContact CD2-CD2 3.87Å; L54-Y66 HydrophobicContact CD2-CE1 4.41Å; L54-Y66 HydrophobicContact CD2-CE2 3.58Å; L54-Y66 HydrophobicContact CD2-CG 4.46Å; L54-Q205 HydrophobicContact CD1-CB 3.92Å; L54-Q205 HydrophobicContact CD1-CG 4.09Å; L54-V208 HydrophobicContact CB-CG1 4.11Å; L54-V208 HydrophobicContact CD1-CB 4.5Å; L54-L209 HydrophobicContact CB-CD2 4.45Å; L54-P359 HydrophobicContact CD1-CG 4.35Å; L54-P359 HydrophobicContact CD2-CB 4.03Å; L54-P359 HydrophobicContact CD2-CG 4.21Å; L54-P359 HydrophobicContact CG-CB 4.08Å; L54-P359 HydrophobicContact CG-CG 4.28Å |
| 55 | V | 91.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 179.9 | 175 | 0 | 0 | 0 | 0 | 112 | C51 M52 T57 A58 S59 V208 Y212 V220 M223 F227 | C51-V55 WeakPolarHBondContact O-CG2 3.34Å; C51-V55 PolarHBondContact O-N 3.09Å; M52-V55 HydrophobicContact CE-CB 4.37Å; M52-V55 HydrophobicContact CE-CG2 4.14Å; M52-V55 PolarHBondContact O-N 3.31Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 2.74Å; V55-A58 PolarHBondContact O-N 3.3Å; V55-S59 WeakPolarHBondContact O-CB 3.38Å; V55-S59 PolarHBondContact O-N 3.34Å; V55-V208 HydrophobicContact CG2-CG1 3.64Å; V55-Y212 HydrophobicContact CG1-CD2 3.89Å; V55-Y212 HydrophobicContact CG1-CE2 3.73Å; V55-V220 HydrophobicContact CG1-CB 4.24Å; V55-V220 HydrophobicContact CG1-CG1 3.98Å; V55-V220 HydrophobicContact CG1-CG2 4.06Å; V55-M223 HydrophobicContact CG1-CB 4.1Å; V55-M223 HydrophobicContact CG1-CG 4.13Å; V55-M223 HydrophobicContact CG2-CG 3.75Å; V55-F227 HydrophobicContact CG2-CE2 4.41Å |
| 56 | H | 89.8 | Confident | 89.2 | Confident | 69 Ų | 69 | 39 Ų | 39 | 32% | 0.319 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.4 | -31.1 | 177.4 | -76.3 | 81 | 0 | 0 | 0 | 112.7 | M52 L54 N60 V220 Y363 Q367 | M52-H56 WeakPolarHBondContact O-CB 3.46Å; M52-H56 PolarHBondContact O-N 3.33Å; M52-H56 PolarHBondContact O-ND1 3.02Å; L54-H56 PolarHBondContact O-N 3.45Å; H56-N60 WeakPolarHBondContact O-CB 3.46Å; H56-N60 PolarHBondContact O-N 3.28Å; H56-N60 PolarHBondContact O-OD1 3.49Å; H56-V220 WeakPolarHBondContact CE1-CG1 3.17Å; H56-Y363 HydrophobicContact CB-CE2 4.1Å; H56-Q367 PolarHBondContact O-NE2 3.48Å |
| 57 | T | 90.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -80 | -35.4 | 176 | 49.2 | 0 | 0 | 0 | 0 | 112.7 | F53 L54 V55 N60 T61 I362 Y363 I366 | F53-T57 WeakPolarHBondContact O-CG2 3.26Å; F53-T57 PolarHBondContact O-N 2.84Å; F53-T57 VanDerWaalsContact O-N 3.14Å; F53-T57 PolarHBondContact O-OG1 3.24Å; L54-T57 PolarHBondContact O-N 3.1Å; L54-T57 PolarHBondContact O-OG1 2.94Å; L54-T57 VanDerWaalsContact O-OG1 3.07Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 2.74Å; T57-N60 PolarHBondContact O-N 3.01Å; T57-T61 WeakPolarHBondContact O-CB 3.41Å; T57-T61 WeakPolarHBondContact O-CG2 3.28Å; T57-T61 PolarHBondContact O-N 3.17Å; T57-T61 PolarHBondContact O-OG1 3.12Å; T57-I362 HydrophobicContact CG2-CG2 4.22Å; T57-Y363 HydrophobicContact CG2-CD2 4Å; T57-I366 HydrophobicContact CG2-CB 4.17Å; T57-I366 HydrophobicContact CG2-CD1 3.83Å; T57-I366 HydrophobicContact CG2-CG2 4.33Å |
| 58 | A | 89.3 | Confident | 88.6 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L54 V55 K62 R63 L69 L209 | L54-A58 WeakPolarHBondContact O-CB 3.46Å; L54-A58 PolarHBondContact O-N 3.01Å; V55-A58 PolarHBondContact O-N 3.3Å; A58-K62 WeakPolarHBondContact O-CA 3.42Å; A58-K62 PolarHBondContact O-N 3.05Å; A58-R63 WeakPolarHBondContact CA-O 3.49Å; A58-R63 WeakPolarHBondContact CB-O 3.4Å; A58-L69 HydrophobicContact CB-CD1 4.23Å; A58-L209 HydrophobicContact CB-CD2 3.64Å |
| 59 | S | 87.8 | Confident | 88.4 | Confident | 50 Ų | 50 | 37.7 Ų | 37.7 | 35% | 0.35 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.3 | -49.1 | 177 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | V55 | V55-S59 WeakPolarHBondContact O-CB 3.38Å; V55-S59 PolarHBondContact O-N 3.34Å |
| 60 | N | 86.9 | Confident | 88.2 | Confident | 106 Ų | 106 | 35.8 Ų | 35.8 | 57% | 0.567 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -72.5 | -33.6 | -176.5 | -73.1 | 26.4 | 0 | 0 | 0 | 114.3 | H56 T57 Q367 | H56-N60 WeakPolarHBondContact O-CB 3.46Å; H56-N60 PolarHBondContact O-N 3.28Å; H56-N60 PolarHBondContact O-OD1 3.49Å; T57-N60 PolarHBondContact O-N 3.01Å; N60-Q367 PolarHBondContact ND2-NE2 3.33Å; N60-Q367 VanDerWaalsContact ND2-NE2 3.18Å |
| 61 | T | 85.8 | Confident | 88 | Confident | 26 Ų | 26 | 38.7 Ų | 38.7 | 16% | 0.16 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -94.3 | -6.8 | -177.2 | 61.8 | 0 | 0 | 0 | 0 | 114.1 | T57 R63 L69 I366 | T57-T61 WeakPolarHBondContact O-CB 3.41Å; T57-T61 WeakPolarHBondContact O-CG2 3.28Å; T57-T61 PolarHBondContact O-N 3.17Å; T57-T61 PolarHBondContact O-OG1 3.12Å; T61-R63 PolarHBondContact O-N 2.9Å; T61-R63 PolarHBondContact OG1-N 3.06Å; T61-L69 HydrophobicContact CG2-CD2 4.41Å; T61-L69 WeakPolarHBondContact OG1-CD2 3.31Å; T61-I366 HydrophobicContact CG2-CD1 3.9Å; T61-I366 HydrophobicContact CG2-CG2 4.14Å |
| 62 | K | 83.8 | Confident | 87.8 | Confident | 186 Ų | 186 | 44 Ų | 44 | 81% | 0.809 | 21% | 0.213 | S | C | * | . | trans | 57.1 | 10.7 | -170.4 | -53.5 | -178.2 | -179.5 | -179.2 | 0 | 114.6 | A58 | A58-K62 WeakPolarHBondContact O-CA 3.42Å; A58-K62 PolarHBondContact O-N 3.05Å | ||
| 63 | R | 79.7 | Confident | 87.8 | Confident | 93 Ų | 93 | 43.8 Ų | 43.8 | 35% | 0.351 | 21% | 0.213 | S | C | . | . | trans | -91 | 129.1 | 174.8 | -64.4 | -62.5 | -170.5 | 176.4 | 2.8 | 109.9 | A58 T61 L69 | A58-R63 WeakPolarHBondContact CA-O 3.49Å; A58-R63 WeakPolarHBondContact CB-O 3.4Å; T61-R63 PolarHBondContact O-N 2.9Å; T61-R63 PolarHBondContact OG1-N 3.06Å; R63-L69 HydrophobicContact CB-CD2 4.18Å | ||
| 64 | R | 80 | Confident | 87.6 | Confident | 89 Ų | 89 | 47.6 Ų | 47.6 | 34% | 0.336 | 23% | 0.228 | S | C | . | . | trans | -101 | -0 | -174.9 | -58.1 | -55 | -163.8 | 107.5 | 0.9 | 115.3 | L209 Y212 D213 | R64-L209 VanDerWaalsContact O-CB 3.23Å; R64-L209 WeakPolarHBondContact O-CB 3.44Å; R64-Y212 VanDerWaalsContact NH1-CD1 3.34Å; R64-Y212 PolarHBondContact NH1-O 3.39Å; R64-D213 WeakPolarHBondContact CB-OD1 3.42Å; R64-D213 WeakPolarHBondContact CB-OD2 3.31Å; R64-D213 WeakPolarHBondContact CD-OD1 3.37Å; R64-D213 VanDerWaalsContact CG-OD1 3.23Å; R64-D213 WeakPolarHBondContact CG-OD1 3.21Å; R64-D213 IonicContact CZ-OD1 2.64Å; R64-D213 IonicContact NE-OD1 2.71Å; R64-D213 IonicContact NH1-OD1 2.68Å; R64-D213 PolarHBondContact NH1-OD1 2.97Å | ||
| 65 | T | 85.1 | Confident | 87.5 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 39% | 0.393 | 24% | 0.241 | S | C | . | . | trans | -113.5 | 142.6 | 179.4 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | G68 L69 | T65-G68 WeakPolarHBondContact O-CA 3.44Å; T65-G68 PolarHBondContact O-N 3.02Å; T65-G68 VanDerWaalsContact O-N 3.11Å; T65-G68 WeakPolarHBondContact OG1-CA 3.47Å; T65-G68 PolarHBondContact OG1-N 3.01Å; T65-L69 PolarHBondContact O-N 2.95Å | ||
| 66 | Y | 88.4 | Confident | 87.4 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 6% | 0.059 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.7 | -46.1 | -176.1 | -164.9 | 169.9 | 0 | 0 | 0 | 110.6 | L54 G68 L69 A70 V82 Q205 I354 C358 P359 I362 | L54-Y66 HydrophobicContact CD1-CD1 4.2Å; L54-Y66 HydrophobicContact CD1-CE1 3.88Å; L54-Y66 HydrophobicContact CD2-CD2 3.87Å; L54-Y66 HydrophobicContact CD2-CE1 4.41Å; L54-Y66 HydrophobicContact CD2-CE2 3.58Å; L54-Y66 HydrophobicContact CD2-CG 4.46Å; Y66-G68 VanDerWaalsContact C-N 3.27Å; Y66-G68 PolarHBondContact O-N 3.41Å; Y66-L69 PolarHBondContact O-N 3.33Å; Y66-A70 PolarHBondContact O-N 3.18Å; Y66-V82 HydrophobicContact CD1-CG1 4.32Å; Y66-V82 HydrophobicContact CD2-CG1 3.63Å; Y66-V82 HydrophobicContact CD2-CG2 4.3Å; Y66-V82 HydrophobicContact CE2-CG1 3.88Å; Y66-V82 HydrophobicContact CE2-CG2 3.89Å; Y66-V82 HydrophobicContact CG-CG1 3.82Å; Y66-Q205 HydrophobicContact CE1-CB 3.99Å; Y66-I354 HydrophobicContact CD1-CD1 4.17Å; Y66-I354 HydrophobicContact CE1-CD1 3.45Å; Y66-I354 VanDerWaalsContact CE1-CD1 3.45Å; Y66-I354 HydrophobicContact CE1-CG1 3.75Å; Y66-I354 HydrophobicContact CE2-CD1 4.48Å; Y66-I354 PolarHBondContact OH-O 3.49Å; Y66-C358 HydrophobicContact CE2-CB 4.38Å; Y66-C358 WeakPolarHBondContact OH-CB 2.99Å; Y66-P359 WeakPolarHBondContact OH-CD 3.44Å; Y66-P359 VanDerWaalsContact OH-CG 3.28Å; Y66-P359 WeakPolarHBondContact OH-CG 2.95Å; Y66-I362 HydrophobicContact CD2-CD1 4.17Å; Y66-I362 HydrophobicContact CE2-CD1 3.81Å |
| 67 | A | 87.3 | Confident | 87.4 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.1 | -36.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A70 F71 K79 E83 | A67-A70 PolarHBondContact O-N 3.42Å; A67-F71 WeakPolarHBondContact O-CB 3.44Å; A67-F71 PolarHBondContact O-N 3.47Å; A67-K79 HydrophobicContact CB-CG 4.37Å; A67-E83 HydrophobicContact CB-CG 3.71Å; A67-E83 WeakPolarHBondContact CB-OE1 3.47Å |
| 68 | G | 86 | Confident | 87.3 | Confident | 3 Ų | 3 | 55 Ų | 55 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.8 | -36.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T65 Y66 H72 | T65-G68 WeakPolarHBondContact O-CA 3.44Å; T65-G68 PolarHBondContact O-N 3.02Å; T65-G68 VanDerWaalsContact O-N 3.11Å; T65-G68 WeakPolarHBondContact OG1-CA 3.47Å; T65-G68 PolarHBondContact OG1-N 3.01Å; Y66-G68 VanDerWaalsContact C-N 3.27Å; Y66-G68 PolarHBondContact O-N 3.41Å; G68-H72 WeakPolarHBondContact O-CB 3.49Å; G68-H72 PolarHBondContact O-N 2.96Å |
| 69 | L | 89.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 171 | -73.7 | 171.3 | 0 | 0 | 0 | 111.8 | A58 T61 R63 T65 Y66 H72 A73 L209 I362 | A58-L69 HydrophobicContact CB-CD1 4.23Å; T61-L69 HydrophobicContact CG2-CD2 4.41Å; T61-L69 WeakPolarHBondContact OG1-CD2 3.31Å; R63-L69 HydrophobicContact CB-CD2 4.18Å; T65-L69 PolarHBondContact O-N 2.95Å; Y66-L69 PolarHBondContact O-N 3.33Å; L69-H72 PolarHBondContact O-N 3.04Å; L69-A73 WeakPolarHBondContact O-CB 3.18Å; L69-A73 PolarHBondContact O-N 3.04Å; L69-L209 HydrophobicContact CD1-CD1 3.77Å; L69-I362 HydrophobicContact CB-CG2 4.18Å |
| 70 | A | 90 | Very high | 87.5 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y66 A67 A73 Y74 G78 V82 I362 | Y66-A70 PolarHBondContact O-N 3.18Å; A67-A70 PolarHBondContact O-N 3.42Å; A70-A73 PolarHBondContact O-N 2.95Å; A70-Y74 PolarHBondContact O-N 3.14Å; A70-G78 VanDerWaalsContact CB-O 3.29Å; A70-G78 WeakPolarHBondContact CB-O 3.44Å; A70-V82 HydrophobicContact CB-CB 3.94Å; A70-V82 HydrophobicContact CB-CG2 3.61Å; A70-I362 HydrophobicContact CB-CD1 3.84Å |
| 71 | F | 89.3 | Confident | 87.7 | Confident | 62 Ų | 62 | 54.2 Ų | 54.2 | 27% | 0.272 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | 171.4 | -172.5 | -100.3 | 0 | 0 | 0 | 112.2 | A67 A73 G75 K76 K79 F307 | A67-F71 WeakPolarHBondContact O-CB 3.44Å; A67-F71 PolarHBondContact O-N 3.47Å; F71-A73 PolarHBondContact O-N 2.65Å; F71-G75 WeakPolarHBondContact O-CA 3.16Å; F71-G75 PolarHBondContact O-N 3.31Å; F71-K76 HydrophobicContact CE2-CG 3.97Å; F71-K79 HydrophobicContact CB-CB 4.08Å; F71-K79 HydrophobicContact CD2-CB 4.07Å; F71-K79 HydrophobicContact CD2-CD 4.12Å; F71-F307 HydrophobicContact CD1-CE2 4.05Å; F71-F307 AromaticContact CD1-CZ 3.81Å; F71-F307 HydrophobicContact CD1-CZ 3.81Å; F71-F307 HydrophobicContact CE1-CE2 4.21Å; F71-F307 HydrophobicContact CE1-CZ 4.06Å; F71-F307 HydrophobicContact CG-CZ 4.1Å |
| 72 | H | 88.3 | Confident | 88 | Confident | 110 Ų | 110 | 53.1 Ų | 53.1 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.9 | -33.2 | 177.7 | -173.7 | -92 | 0 | 0 | 0 | 113.1 | G68 L69 | G68-H72 WeakPolarHBondContact O-CB 3.49Å; G68-H72 PolarHBondContact O-N 2.96Å; L69-H72 PolarHBondContact O-N 3.04Å |
| 73 | A | 90.3 | Very high | 88.3 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -82.6 | -39.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L69 A70 F71 I362 K365 I366 | L69-A73 WeakPolarHBondContact O-CB 3.18Å; L69-A73 PolarHBondContact O-N 3.04Å; A70-A73 PolarHBondContact O-N 2.95Å; F71-A73 PolarHBondContact O-N 2.65Å; A73-I362 HydrophobicContact CB-CB 4.45Å; A73-I362 HydrophobicContact CB-CG1 4.23Å; A73-I362 HydrophobicContact CB-CG2 4.3Å; A73-K365 HydrophobicContact CB-CB 4.28Å; A73-K365 HydrophobicContact CB-CG 4.06Å; A73-K365 VanDerWaalsContact O-CE 3.23Å; A73-K365 WeakPolarHBondContact O-CE 3.28Å; A73-K365 WeakPolarHBondContact O-CG 3.39Å; A73-I366 HydrophobicContact CB-CD1 4.3Å; A73-I366 HydrophobicContact CB-CG1 4.33Å |
| 74 | Y | 89.3 | Confident | 88.8 | Confident | 95 Ų | 95 | 43.2 Ų | 43.2 | 37% | 0.373 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -135.5 | 8.8 | -170.3 | -66.7 | -87.1 | 0 | 0 | 0 | 114.4 | A70 P77 L361 K365 | A70-Y74 PolarHBondContact O-N 3.14Å; Y74-P77 WeakPolarHBondContact O-CG 3.4Å; Y74-L361 HydrophobicContact CE2-CB 3.94Å; Y74-L361 PolarHBondContact OH-O 2.77Å; Y74-L361 VanDerWaalsContact OH-O 3.12Å; Y74-K365 HydrophobicContact CE1-CD 4.41Å; Y74-K365 HydrophobicContact CE1-CG 4.49Å; Y74-K365 HydrophobicContact CE2-CB 3.89Å; Y74-K365 HydrophobicContact CE2-CG 4.11Å |
| 75 | G | 89.8 | Confident | 89.4 | Confident | 27 Ų | 27 | 39.1 Ų | 39.1 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | 67.3 | -156.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | F71 G78 K79 | F71-G75 WeakPolarHBondContact O-CA 3.16Å; F71-G75 PolarHBondContact O-N 3.31Å; G75-G78 PolarHBondContact O-N 3.06Å; G75-G78 VanDerWaalsContact O-N 3.11Å; G75-K79 PolarHBondContact O-N 3.48Å; G75-K79 VanDerWaalsContact O-N 3.12Å |
| 76 | K | 88.3 | Confident | 89.7 | Confident | 94 Ų | 94 | 37.7 Ų | 37.7 | 41% | 0.409 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -47.3 | -51 | 179.4 | -67.2 | -169.5 | 176.2 | -125.7 | 0 | 114.6 | F71 G78 K79 T80 E299 Q301 | F71-K76 HydrophobicContact CE2-CG 3.97Å; K76-G78 VanDerWaalsContact C-N 3.27Å; K76-G78 PolarHBondContact O-N 2.58Å; K76-K79 WeakPolarHBondContact O-CB 3.37Å; K76-K79 PolarHBondContact O-N 3.36Å; K76-K79 VanDerWaalsContact O-N 3.14Å; K76-T80 PolarHBondContact O-N 2.96Å; K76-T80 PolarHBondContact O-OG1 3.47Å; K76-T80 VanDerWaalsContact O-OG1 3.12Å; K76-E299 IonicContact NZ-OE2 2.64Å; K76-E299 PolarHBondContact NZ-OE2 3.42Å; K76-Q301 VanDerWaalsContact CE-OE1 3.3Å |
| 77 | P | 89.9 | Confident | 89.9 | Confident | 97 Ų | 97 | 37.7 Ų | 37.7 | 63% | 0.63 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.2 | -30.9 | -178.1 | 25.1 | -34.3 | 0 | 0 | 0 | 113.1 | Y74 L81 | Y74-P77 WeakPolarHBondContact O-CG 3.4Å; P77-L81 VanDerWaalsContact O-CB 3.27Å; P77-L81 WeakPolarHBondContact O-CB 3.3Å; P77-L81 PolarHBondContact O-N 3.36Å |
| 78 | G | 89.4 | Confident | 90.1 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 8% | 0.082 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.5 | -45.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A70 G75 K76 L81 V82 | A70-G78 VanDerWaalsContact CB-O 3.29Å; A70-G78 WeakPolarHBondContact CB-O 3.44Å; G75-G78 PolarHBondContact O-N 3.06Å; G75-G78 VanDerWaalsContact O-N 3.11Å; K76-G78 VanDerWaalsContact C-N 3.27Å; K76-G78 PolarHBondContact O-N 2.58Å; G78-L81 PolarHBondContact O-N 2.91Å; G78-V82 PolarHBondContact O-N 3.04Å; G78-V82 VanDerWaalsContact O-N 3.14Å |
| 79 | K | 89.4 | Confident | 90.4 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.2 | -56.2 | 173.5 | 177.4 | -175.7 | 172.5 | -80.4 | 0 | 110.6 | A67 F71 G75 K76 L81 V82 E83 T295 E299 | A67-K79 HydrophobicContact CB-CG 4.37Å; F71-K79 HydrophobicContact CB-CB 4.08Å; F71-K79 HydrophobicContact CD2-CB 4.07Å; F71-K79 HydrophobicContact CD2-CD 4.12Å; G75-K79 PolarHBondContact O-N 3.48Å; G75-K79 VanDerWaalsContact O-N 3.12Å; K76-K79 WeakPolarHBondContact O-CB 3.37Å; K76-K79 PolarHBondContact O-N 3.36Å; K76-K79 VanDerWaalsContact O-N 3.14Å; K79-L81 PolarHBondContact O-N 3.16Å; K79-V82 PolarHBondContact O-N 2.88Å; K79-E83 WeakPolarHBondContact CE-OE1 3.44Å; K79-E83 WeakPolarHBondContact CE-OE2 3.46Å; K79-E83 HydrophobicContact CG-CG 4.41Å; K79-E83 WeakPolarHBondContact CG-OE1 3.37Å; K79-E83 IonicContact NZ-OE1 2.7Å; K79-E83 PolarHBondContact NZ-OE1 2.96Å; K79-E83 IonicContact NZ-OE2 3.45Å; K79-E83 PolarHBondContact NZ-OE2 3.37Å; K79-E83 WeakPolarHBondContact O-CG 3.49Å; K79-E83 PolarHBondContact O-N 3.38Å; K79-T295 PolarHBondContact NZ-O 3.24Å; K79-E299 WeakPolarHBondContact CE-OE1 3.49Å; K79-E299 IonicContact NZ-OE1 3.28Å; K79-E299 PolarHBondContact NZ-OE1 3.46Å |
| 80 | T | 90.1 | Very high | 90.5 | Very high | 59 Ų | 59 | 37.8 Ų | 37.8 | 36% | 0.362 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.6 | -44 | -177.8 | -49.1 | 0 | 0 | 0 | 0 | 111.7 | K76 V82 E83 T84 | K76-T80 PolarHBondContact O-N 2.96Å; K76-T80 PolarHBondContact O-OG1 3.47Å; K76-T80 VanDerWaalsContact O-OG1 3.12Å; T80-V82 VanDerWaalsContact C-N 3.33Å; T80-V82 PolarHBondContact O-N 3.33Å; T80-E83 PolarHBondContact O-N 3.38Å; T80-T84 WeakPolarHBondContact O-CB 3.32Å; T80-T84 PolarHBondContact O-N 3.47Å; T80-T84 PolarHBondContact O-OG1 3.26Å |
| 81 | L | 92.2 | Very high | 90.6 | Very high | 75 Ų | 75 | 40.1 Ų | 40.1 | 39% | 0.393 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.7 | -44.6 | 177.7 | 179.5 | 64.4 | 0 | 0 | 0 | 112.2 | P77 G78 K79 S85 | P77-L81 VanDerWaalsContact O-CB 3.27Å; P77-L81 WeakPolarHBondContact O-CB 3.3Å; P77-L81 PolarHBondContact O-N 3.36Å; G78-L81 PolarHBondContact O-N 2.91Å; K79-L81 PolarHBondContact O-N 3.16Å; L81-S85 VanDerWaalsContact O-CB 3.23Å; L81-S85 WeakPolarHBondContact O-CB 3.35Å; L81-S85 PolarHBondContact O-N 2.97Å; L81-S85 PolarHBondContact O-OG 3.35Å |
| 82 | V | 91.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.9 | -42 | 178.3 | 164.8 | 0 | 0 | 0 | 0 | 111.8 | Y66 A70 G78 K79 T80 S85 M86 I354 C358 I362 | Y66-V82 HydrophobicContact CD1-CG1 4.32Å; Y66-V82 HydrophobicContact CD2-CG1 3.63Å; Y66-V82 HydrophobicContact CD2-CG2 4.3Å; Y66-V82 HydrophobicContact CE2-CG1 3.88Å; Y66-V82 HydrophobicContact CE2-CG2 3.89Å; Y66-V82 HydrophobicContact CG-CG1 3.82Å; A70-V82 HydrophobicContact CB-CB 3.94Å; A70-V82 HydrophobicContact CB-CG2 3.61Å; G78-V82 PolarHBondContact O-N 3.04Å; G78-V82 VanDerWaalsContact O-N 3.14Å; K79-V82 PolarHBondContact O-N 2.88Å; T80-V82 VanDerWaalsContact C-N 3.33Å; T80-V82 PolarHBondContact O-N 3.33Å; V82-S85 PolarHBondContact O-N 3.06Å; V82-M86 VanDerWaalsContact O-CB 3.23Å; V82-M86 WeakPolarHBondContact O-CB 3.27Å; V82-M86 PolarHBondContact O-N 3.45Å; V82-I354 HydrophobicContact CG1-CD1 3.99Å; V82-C358 HydrophobicContact CG2-CB 3.89Å; V82-I362 HydrophobicContact CG2-CD1 4.49Å |
| 83 | E | 89.7 | Confident | 90.9 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 5% | 0.047 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -50.6 | 176.7 | -73.6 | 173.5 | 170.9 | 0 | 0 | 111.3 | A67 K79 T80 S85 M86 I87 T295 | A67-E83 HydrophobicContact CB-CG 3.71Å; A67-E83 WeakPolarHBondContact CB-OE1 3.47Å; K79-E83 WeakPolarHBondContact CE-OE1 3.44Å; K79-E83 WeakPolarHBondContact CE-OE2 3.46Å; K79-E83 HydrophobicContact CG-CG 4.41Å; K79-E83 WeakPolarHBondContact CG-OE1 3.37Å; K79-E83 IonicContact NZ-OE1 2.7Å; K79-E83 PolarHBondContact NZ-OE1 2.96Å; K79-E83 IonicContact NZ-OE2 3.45Å; K79-E83 PolarHBondContact NZ-OE2 3.37Å; K79-E83 WeakPolarHBondContact O-CG 3.49Å; K79-E83 PolarHBondContact O-N 3.38Å; T80-E83 PolarHBondContact O-N 3.38Å; E83-S85 PolarHBondContact O-N 3.29Å; E83-M86 PolarHBondContact O-N 2.89Å; E83-I87 WeakPolarHBondContact O-CD1 3.43Å; E83-I87 WeakPolarHBondContact O-CG1 3.49Å; E83-I87 PolarHBondContact O-N 3.18Å; E83-T295 VanDerWaalsContact OE1-CG2 3.3Å; E83-T295 WeakPolarHBondContact OE1-CG2 3.45Å |
| 84 | T | 91.8 | Very high | 91 | Very high | 61 Ų | 61 | 32.5 Ų | 32.5 | 37% | 0.374 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 177.5 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | T80 I87 G88 | T80-T84 WeakPolarHBondContact O-CB 3.32Å; T80-T84 PolarHBondContact O-N 3.47Å; T80-T84 PolarHBondContact O-OG1 3.26Å; T84-I87 PolarHBondContact O-N 2.93Å; T84-G88 PolarHBondContact O-N 3.45Å |
| 85 | S | 92.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.2 | -40.3 | 176.4 | -57.5 | 0 | 0 | 0 | 0 | 112 | L81 V82 E83 G88 L89 | L81-S85 VanDerWaalsContact O-CB 3.23Å; L81-S85 WeakPolarHBondContact O-CB 3.35Å; L81-S85 PolarHBondContact O-N 2.97Å; L81-S85 PolarHBondContact O-OG 3.35Å; V82-S85 PolarHBondContact O-N 3.06Å; E83-S85 PolarHBondContact O-N 3.29Å; S85-G88 PolarHBondContact O-N 2.93Å; S85-L89 WeakPolarHBondContact O-CB 3.44Å; S85-L89 PolarHBondContact O-N 2.76Å |
| 86 | M | 90.9 | Very high | 91.4 | Very high | 33 Ų | 33 | 28.2 Ų | 28.2 | 16% | 0.163 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.7 | -39.3 | 176.8 | -178.2 | 169 | 167.7 | 0 | 0 | 111.9 | V82 E83 L89 M90 P288 I354 | V82-M86 VanDerWaalsContact O-CB 3.23Å; V82-M86 WeakPolarHBondContact O-CB 3.27Å; V82-M86 PolarHBondContact O-N 3.45Å; E83-M86 PolarHBondContact O-N 2.89Å; M86-L89 PolarHBondContact O-N 3.07Å; M86-M90 HydrophobicContact CE-CE 4.39Å; M86-M90 WeakPolarHBondContact O-CG 3.4Å; M86-M90 PolarHBondContact O-N 3.1Å; M86-M90 VanDerWaalsContact O-N 3.09Å; M86-P288 HydrophobicContact CE-CB 3.89Å; M86-I354 HydrophobicContact CB-CD1 4.2Å |
| 87 | I | 91.9 | Very high | 91.6 | Very high | 15 Ų | 15 | 24.1 Ų | 24.1 | 8% | 0.077 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.3 | -49.7 | 172.7 | -67 | 163.1 | 0 | 0 | 0 | 110 | E83 T84 L89 M90 L91 A292 I293 M296 | E83-I87 WeakPolarHBondContact O-CD1 3.43Å; E83-I87 WeakPolarHBondContact O-CG1 3.49Å; E83-I87 PolarHBondContact O-N 3.18Å; T84-I87 PolarHBondContact O-N 2.93Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-L89 PolarHBondContact O-N 3.48Å; I87-M90 PolarHBondContact O-N 3.34Å; I87-L91 HydrophobicContact CG2-CD1 3.68Å; I87-L91 HydrophobicContact CG2-CG 4.14Å; I87-L91 WeakPolarHBondContact O-CB 3.35Å; I87-L91 VanDerWaalsContact O-CG 3.29Å; I87-L91 WeakPolarHBondContact O-CG 3.44Å; I87-L91 PolarHBondContact O-N 2.94Å; I87-A292 HydrophobicContact CD1-CB 4.03Å; I87-A292 HydrophobicContact CG1-CB 3.56Å; I87-I293 HydrophobicContact CD1-CB 4.47Å; I87-I293 HydrophobicContact CD1-CG1 3.71Å; I87-I293 HydrophobicContact CG1-CG1 3.87Å; I87-I293 HydrophobicContact CG2-CD1 4.05Å; I87-I293 HydrophobicContact CG2-CG1 3.87Å; I87-M296 HydrophobicContact CD1-CB 4.42Å; I87-M296 HydrophobicContact CD1-CE 4.21Å; I87-M296 HydrophobicContact CD1-SD 3.82Å |
| 88 | G | 92.8 | Very high | 91.7 | Very high | 16 Ų | 16 | 19.5 Ų | 19.5 | 17% | 0.165 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.2 | -39.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T84 S85 G92 | T84-G88 PolarHBondContact O-N 3.45Å; S85-G88 PolarHBondContact O-N 2.93Å; G88-G92 PolarHBondContact O-N 2.93Å |
| 89 | L | 91.6 | Very high | 91.8 | Very high | 8 Ų | 8 | 19.1 Ų | 19.1 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.7 | -49 | 173.5 | -171.3 | 85.1 | 0 | 0 | 0 | 111.8 | S85 M86 I87 T93 M200 A203 I354 | S85-L89 WeakPolarHBondContact O-CB 3.44Å; S85-L89 PolarHBondContact O-N 2.76Å; M86-L89 PolarHBondContact O-N 3.07Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-L89 PolarHBondContact O-N 3.48Å; L89-T93 WeakPolarHBondContact O-CB 3.44Å; L89-T93 PolarHBondContact O-N 3.46Å; L89-T93 PolarHBondContact O-OG1 2.74Å; L89-M200 HydrophobicContact CD1-CE 3.65Å; L89-M200 HydrophobicContact CD1-SD 3.47Å; L89-M200 WeakPolarHBondContact CD1-SD 3.4Å; L89-M200 HydrophobicContact CG-CE 4.09Å; L89-A203 HydrophobicContact CD1-CB 4.45Å; L89-I354 HydrophobicContact CB-CG2 4.46Å; L89-I354 HydrophobicContact CD1-CG2 3.9Å; L89-I354 HydrophobicContact CD2-CG2 3.95Å; L89-I354 HydrophobicContact CG-CG2 4.33Å |
| 90 | M | 91.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.9 | -43.9 | -178.3 | -66.6 | -70.9 | 164.8 | 0 | 0 | 111.5 | M86 I87 T93 C94 S206 M285 P288 C289 | M86-M90 HydrophobicContact CE-CE 4.39Å; M86-M90 WeakPolarHBondContact O-CG 3.4Å; M86-M90 PolarHBondContact O-N 3.1Å; M86-M90 VanDerWaalsContact O-N 3.09Å; I87-M90 PolarHBondContact O-N 3.34Å; M90-T93 PolarHBondContact O-N 2.98Å; M90-C94 PolarHBondContact O-N 3.42Å; M90-S206 WeakPolarHBondContact CE-OG 3.33Å; M90-M285 HydrophobicContact CE-SD 4.33Å; M90-M285 HydrophobicContact SD-CB 4.1Å; M90-M285 HydrophobicContact SD-CG 4.43Å; M90-M285 HydrophobicContact SD-SD 3.58Å; M90-P288 HydrophobicContact CE-CG 4.08Å; M90-P288 HydrophobicContact SD-CG 4.02Å; M90-C289 HydrophobicContact CB-CB 3.71Å; M90-C289 HydrophobicContact CG-CB 4.2Å |
| 91 | L | 92.8 | Very high | 91.9 | Very high | 50 Ų | 50 | 16 Ų | 16 | 26% | 0.262 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 176.3 | -67.9 | 176 | 0 | 0 | 0 | 111.7 | I87 T93 C94 I95 I325 T329 | I87-L91 HydrophobicContact CG2-CD1 3.68Å; I87-L91 HydrophobicContact CG2-CG 4.14Å; I87-L91 WeakPolarHBondContact O-CB 3.35Å; I87-L91 VanDerWaalsContact O-CG 3.29Å; I87-L91 WeakPolarHBondContact O-CG 3.44Å; I87-L91 PolarHBondContact O-N 2.94Å; L91-T93 VanDerWaalsContact C-N 3.29Å; L91-T93 PolarHBondContact O-N 3.04Å; L91-C94 PolarHBondContact O-N 2.89Å; L91-I95 VanDerWaalsContact O-CG1 3.28Å; L91-I95 WeakPolarHBondContact O-CG1 3.39Å; L91-I95 PolarHBondContact O-N 3.28Å; L91-I325 HydrophobicContact CD2-CB 4.46Å; L91-I325 HydrophobicContact CD2-CG1 4.39Å; L91-I325 HydrophobicContact CD2-CG2 3.68Å; L91-T329 HydrophobicContact CB-CG2 4.21Å; L91-T329 HydrophobicContact CD2-CG2 3.58Å |
| 92 | G | 92.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 12.4 Ų | 12.4 | 5% | 0.052 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.6 | -36.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G88 I95 A96 I342 T346 | G88-G92 PolarHBondContact O-N 2.93Å; G92-I95 PolarHBondContact O-N 2.61Å; G92-A96 PolarHBondContact O-N 3.03Å; G92-I342 VanDerWaalsContact O-CG2 3.3Å; G92-I342 WeakPolarHBondContact O-CG2 3.47Å; G92-T346 WeakPolarHBondContact CA-OG1 3.11Å |
| 93 | T | 91.1 | Very high | 91.7 | Very high | 14 Ų | 14 | 12.8 Ų | 12.8 | 9% | 0.086 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.8 | -43.7 | 174.9 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | L89 M90 L91 I95 A96 F97 M200 M285 | L89-T93 WeakPolarHBondContact O-CB 3.44Å; L89-T93 PolarHBondContact O-N 3.46Å; L89-T93 PolarHBondContact O-OG1 2.74Å; M90-T93 PolarHBondContact O-N 2.98Å; L91-T93 VanDerWaalsContact C-N 3.29Å; L91-T93 PolarHBondContact O-N 3.04Å; T93-I95 VanDerWaalsContact C-N 3.34Å; T93-I95 PolarHBondContact O-N 3.02Å; T93-A96 PolarHBondContact O-N 3.03Å; T93-F97 HydrophobicContact CG2-CD1 4.36Å; T93-F97 HydrophobicContact CG2-CE1 3.77Å; T93-F97 HydrophobicContact CG2-CE2 4.17Å; T93-F97 HydrophobicContact CG2-CZ 3.67Å; T93-F97 WeakPolarHBondContact O-CD1 3.41Å; T93-F97 VanDerWaalsContact O-CG 3.31Å; T93-F97 WeakPolarHBondContact O-CG 3.46Å; T93-F97 PolarHBondContact O-N 2.96Å; T93-M200 WeakPolarHBondContact OG1-CE 3.49Å; T93-M285 HydrophobicContact CG2-CE 4.19Å; T93-M285 HydrophobicContact CG2-CG 4.15Å; T93-M285 HydrophobicContact CG2-SD 4.43Å |
| 94 | C | 92.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.007 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.7 | -36.3 | 172.9 | -77.5 | 0 | 0 | 0 | 0 | 113 | M90 L91 F97 Y98 F282 T329 | M90-C94 PolarHBondContact O-N 3.42Å; L91-C94 PolarHBondContact O-N 2.89Å; C94-F97 WeakPolarHBondContact O-CB 2.99Å; C94-F97 PolarHBondContact O-N 2.94Å; C94-Y98 PolarHBondContact O-N 3.33Å; C94-F282 HydrophobicContact CB-CD2 4.33Å; C94-F282 HydrophobicContact CB-CE1 4.36Å; C94-F282 HydrophobicContact CB-CE2 3.61Å; C94-F282 HydrophobicContact CB-CZ 3.63Å; C94-F282 WeakPolarHBondContact O-CE2 3.43Å; C94-T329 HydrophobicContact CB-CG2 3.79Å |
| 95 | I | 93.8 | Very high | 91.4 | Very high | 32 Ų | 32 | 9.5 Ų | 9.5 | 16% | 0.164 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.4 | -44.7 | 172.7 | -68.4 | 161.7 | 0 | 0 | 0 | 110.5 | L91 G92 T93 F97 Y98 V99 T329 I342 | L91-I95 VanDerWaalsContact O-CG1 3.28Å; L91-I95 WeakPolarHBondContact O-CG1 3.39Å; L91-I95 PolarHBondContact O-N 3.28Å; G92-I95 PolarHBondContact O-N 2.61Å; T93-I95 VanDerWaalsContact C-N 3.34Å; T93-I95 PolarHBondContact O-N 3.02Å; I95-F97 VanDerWaalsContact C-N 3.3Å; I95-F97 PolarHBondContact O-N 2.9Å; I95-Y98 PolarHBondContact O-N 3.04Å; I95-V99 PolarHBondContact O-N 2.94Å; I95-T329 HydrophobicContact CG1-CG2 3.99Å; I95-I342 HydrophobicContact CB-CG2 4.21Å; I95-I342 HydrophobicContact CG2-CD1 3.61Å; I95-I342 HydrophobicContact CG2-CG1 3.91Å; I95-I342 HydrophobicContact CG2-CG2 3.94Å |
| 96 | A | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.1 | -36.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V19 G92 T93 V99 V100 V339 I342 L343 | V19-A96 HydrophobicContact CG1-CB 4.1Å; G92-A96 PolarHBondContact O-N 3.03Å; T93-A96 PolarHBondContact O-N 3.03Å; A96-V99 PolarHBondContact O-N 2.95Å; A96-V100 PolarHBondContact O-N 3.35Å; A96-V339 HydrophobicContact CB-CG2 4.29Å; A96-I342 HydrophobicContact CB-CG2 3.98Å; A96-L343 HydrophobicContact CB-CD2 3.83Å; A96-L343 HydrophobicContact CB-CG 4.26Å |
| 97 | F | 92.3 | Very high | 90.6 | Very high | 8 Ų | 8 | 9.6 Ų | 9.6 | 4% | 0.035 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.4 | -47.6 | 172.6 | -69.3 | -9.1 | 0 | 0 | 0 | 112 | V19 T93 C94 I95 V99 V100 I101 V278 G281 F282 M285 | V19-F97 HydrophobicContact CB-CD1 3.82Å; V19-F97 HydrophobicContact CB-CE1 3.82Å; V19-F97 HydrophobicContact CG1-CD1 3.89Å; V19-F97 HydrophobicContact CG1-CE1 3.78Å; V19-F97 HydrophobicContact CG2-CD1 4.38Å; T93-F97 HydrophobicContact CG2-CD1 4.36Å; T93-F97 HydrophobicContact CG2-CE1 3.77Å; T93-F97 HydrophobicContact CG2-CE2 4.17Å; T93-F97 HydrophobicContact CG2-CZ 3.67Å; T93-F97 WeakPolarHBondContact O-CD1 3.41Å; T93-F97 VanDerWaalsContact O-CG 3.31Å; T93-F97 WeakPolarHBondContact O-CG 3.46Å; T93-F97 PolarHBondContact O-N 2.96Å; C94-F97 WeakPolarHBondContact O-CB 2.99Å; C94-F97 PolarHBondContact O-N 2.94Å; I95-F97 VanDerWaalsContact C-N 3.3Å; I95-F97 PolarHBondContact O-N 2.9Å; F97-V99 VanDerWaalsContact C-N 3.33Å; F97-V99 PolarHBondContact O-N 3.3Å; F97-V100 PolarHBondContact O-N 3.34Å; F97-I101 WeakPolarHBondContact O-CB 3.48Å; F97-I101 WeakPolarHBondContact O-CG1 3.38Å; F97-I101 PolarHBondContact O-N 2.92Å; F97-V278 HydrophobicContact CB-CG1 3.46Å; F97-V278 VanDerWaalsContact CB-CG1 3.46Å; F97-V278 HydrophobicContact CD1-CG1 3.79Å; F97-V278 HydrophobicContact CD2-CG1 4.46Å; F97-V278 HydrophobicContact CG-CG1 3.67Å; F97-G281 WeakPolarHBondContact CE2-O 3.34Å; F97-F282 HydrophobicContact CB-CD2 3.88Å; F97-F282 HydrophobicContact CB-CE2 4.45Å; F97-F282 HydrophobicContact CD2-CB 4.08Å; F97-F282 AromaticContact CD2-CD2 3.94Å; F97-F282 HydrophobicContact CD2-CD2 3.94Å; F97-F282 HydrophobicContact CD2-CG 4.3Å; F97-F282 HydrophobicContact CG-CD2 4.46Å; F97-M285 HydrophobicContact CE2-CB 4.34Å; F97-M285 HydrophobicContact CE2-CG 3.6Å; F97-M285 HydrophobicContact CZ-CE 4.28Å; F97-M285 HydrophobicContact CZ-CG 3.98Å |
| 98 | Y | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.3 | -40.3 | 175.4 | -88.2 | -59.1 | 0 | 0 | 0 | 112.9 | C94 I95 I101 A102 L126 S130 V134 F282 T329 M330 | C94-Y98 PolarHBondContact O-N 3.33Å; I95-Y98 PolarHBondContact O-N 3.04Å; Y98-I101 PolarHBondContact O-N 3.11Å; Y98-A102 VanDerWaalsContact O-CB 3.3Å; Y98-A102 WeakPolarHBondContact O-CB 3.35Å; Y98-A102 PolarHBondContact O-N 3.06Å; Y98-L126 HydrophobicContact CD1-CD2 3.53Å; Y98-L126 HydrophobicContact CD1-CG 4.13Å; Y98-L126 HydrophobicContact CE1-CD2 4.04Å; Y98-L126 HydrophobicContact CG-CD2 4.02Å; Y98-S130 PolarHBondContact OH-OG 3.43Å; Y98-V134 HydrophobicContact CE1-CG2 4.1Å; Y98-F282 AromaticContact CD2-CE2 3.55Å; Y98-F282 HydrophobicContact CD2-CE2 3.55Å; Y98-F282 HydrophobicContact CD2-CZ 4.03Å; Y98-F282 HydrophobicContact CE2-CD2 4.48Å; Y98-F282 AromaticContact CE2-CE2 3.33Å; Y98-F282 HydrophobicContact CE2-CE2 3.33Å; Y98-F282 AromaticContact CE2-CZ 3.39Å; Y98-F282 HydrophobicContact CE2-CZ 3.39Å; Y98-F282 HydrophobicContact CG-CE2 4.28Å; Y98-F282 AromaticContact CZ-CE2 3.89Å; Y98-F282 AromaticContact CZ-CZ 3.96Å; Y98-T329 WeakPolarHBondContact CE2-OG1 3.28Å; Y98-M330 HydrophobicContact CD2-CB 4.35Å; Y98-M330 HydrophobicContact CE1-CB 4.44Å; Y98-M330 HydrophobicContact CE1-CG 4.41Å; Y98-M330 HydrophobicContact CE2-CB 3.86Å |
| 99 | V | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 178.3 | 169 | 0 | 0 | 0 | 0 | 111.9 | I95 A96 F97 A102 D103 I336 P337 V339 I342 | I95-V99 PolarHBondContact O-N 2.94Å; A96-V99 PolarHBondContact O-N 2.95Å; F97-V99 VanDerWaalsContact C-N 3.33Å; F97-V99 PolarHBondContact O-N 3.3Å; V99-A102 PolarHBondContact O-N 3.01Å; V99-D103 WeakPolarHBondContact O-CB 3.41Å; V99-D103 VanDerWaalsContact O-CG 3.25Å; V99-D103 PolarHBondContact O-N 3.2Å; V99-I336 VanDerWaalsContact CG2-O 3.29Å; V99-I336 WeakPolarHBondContact CG2-O 3.46Å; V99-P337 WeakPolarHBondContact CG1-O 3.49Å; V99-V339 HydrophobicContact CG1-CB 4.01Å; V99-I342 HydrophobicContact CB-CD1 4.15Å; V99-I342 HydrophobicContact CG2-CD1 3.45Å; V99-I342 VanDerWaalsContact CG2-CD1 3.45Å |
| 100 | V | 91.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -73.2 | -35.9 | 177.1 | 169.7 | 0 | 0 | 0 | 0 | 112.1 | V19 L22 A96 F97 A102 D103 L104 F274 V278 V339 | V19-V100 HydrophobicContact CG2-CB 3.98Å; V19-V100 HydrophobicContact CG2-CG1 4.38Å; V19-V100 HydrophobicContact CG2-CG2 3.47Å; V19-V100 VanDerWaalsContact CG2-CG2 3.47Å; L22-V100 HydrophobicContact CD1-CB 4.43Å; L22-V100 HydrophobicContact CD1-CG1 3.57Å; L22-V100 HydrophobicContact CD1-CG2 3.95Å; A96-V100 PolarHBondContact O-N 3.35Å; F97-V100 PolarHBondContact O-N 3.34Å; V100-A102 VanDerWaalsContact C-N 3.28Å; V100-A102 PolarHBondContact O-N 3.33Å; V100-D103 PolarHBondContact O-N 3.13Å; V100-L104 HydrophobicContact CG1-CD1 3.7Å; V100-L104 HydrophobicContact CG1-CG 4.03Å; V100-L104 WeakPolarHBondContact O-CB 3.05Å; V100-L104 VanDerWaalsContact O-CG 3.27Å; V100-L104 WeakPolarHBondContact O-CG 3.46Å; V100-L104 PolarHBondContact O-N 2.8Å; V100-F274 HydrophobicContact CG1-CD1 4.12Å; V100-F274 HydrophobicContact CG1-CE1 4.22Å; V100-V278 HydrophobicContact CG1-CG2 4.43Å; V100-V339 HydrophobicContact CG2-CB 4.25Å; V100-V339 HydrophobicContact CG2-CG2 3.86Å |
| 101 | I | 90.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.9 | -42.8 | 168.8 | -72.3 | 167.5 | 0 | 0 | 0 | 110.5 | F97 Y98 G105 V129 M275 V278 A279 | F97-I101 WeakPolarHBondContact O-CB 3.48Å; F97-I101 WeakPolarHBondContact O-CG1 3.38Å; F97-I101 PolarHBondContact O-N 2.92Å; Y98-I101 PolarHBondContact O-N 3.11Å; I101-G105 VanDerWaalsContact O-CA 3.3Å; I101-G105 WeakPolarHBondContact O-CA 3.36Å; I101-G105 PolarHBondContact O-N 2.91Å; I101-V129 HydrophobicContact CG2-CB 4.2Å; I101-V129 HydrophobicContact CG2-CG1 3.77Å; I101-V129 HydrophobicContact CG2-CG2 4.48Å; I101-M275 HydrophobicContact CG1-CG 4.25Å; I101-V278 HydrophobicContact CD1-CG1 4Å; I101-V278 HydrophobicContact CG1-CG1 3.9Å; I101-A279 HydrophobicContact CD1-CB 4.45Å |
| 102 | A | 90.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.2 | -41 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y98 V99 V100 S106 R122 L126 | Y98-A102 VanDerWaalsContact O-CB 3.3Å; Y98-A102 WeakPolarHBondContact O-CB 3.35Å; Y98-A102 PolarHBondContact O-N 3.06Å; V99-A102 PolarHBondContact O-N 3.01Å; V100-A102 VanDerWaalsContact C-N 3.28Å; V100-A102 PolarHBondContact O-N 3.33Å; A102-S106 WeakPolarHBondContact O-CB 3.39Å; A102-S106 PolarHBondContact O-N 3.14Å; A102-S106 PolarHBondContact O-OG 2.65Å; A102-R122 HydrophobicContact CB-CG 3.96Å; A102-L126 HydrophobicContact CB-CB 4.29Å; A102-L126 HydrophobicContact CB-CD1 3.86Å; A102-L126 HydrophobicContact CB-CG 4.16Å |
| 103 | D | 88.5 | Confident | 87.1 | Confident | 11 Ų | 11 | 25.9 Ų | 25.9 | 6% | 0.059 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.2 | -58.6 | 174 | -76.6 | -12.5 | 0 | 0 | 0 | 111.2 | V99 V100 S106 N107 R122 N256 M259 | V99-D103 WeakPolarHBondContact O-CB 3.41Å; V99-D103 VanDerWaalsContact O-CG 3.25Å; V99-D103 PolarHBondContact O-N 3.2Å; V100-D103 PolarHBondContact O-N 3.13Å; D103-S106 PolarHBondContact O-OG 2.98Å; D103-N107 PolarHBondContact O-ND2 3.31Å; D103-R122 IonicContact OD1-CZ 2.7Å; D103-R122 IonicContact OD1-NH1 2.72Å; D103-R122 PolarHBondContact OD1-NH1 3.46Å; D103-R122 IonicContact OD1-NH2 3.15Å; D103-R122 PolarHBondContact OD1-NH2 3.01Å; D103-N256 WeakPolarHBondContact CB-ND2 3.37Å; D103-N256 WeakPolarHBondContact OD2-CB 3.26Å; D103-N256 PolarHBondContact OD2-ND2 3.4Å; D103-M259 HydrophobicContact CB-CE 4.47Å; D103-M259 HydrophobicContact CB-SD 3.83Å |
| 104 | L | 88.7 | Confident | 86.4 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -74 | -41.3 | -172 | -55.2 | -175.3 | 0 | 0 | 0 | 111.3 | V100 F108 L258 R271 F274 M275 | V100-L104 HydrophobicContact CG1-CD1 3.7Å; V100-L104 HydrophobicContact CG1-CG 4.03Å; V100-L104 WeakPolarHBondContact O-CB 3.05Å; V100-L104 VanDerWaalsContact O-CG 3.27Å; V100-L104 WeakPolarHBondContact O-CG 3.46Å; V100-L104 PolarHBondContact O-N 2.8Å; L104-F108 PolarHBondContact O-N 3.34Å; L104-F108 VanDerWaalsContact O-N 3.12Å; L104-L258 HydrophobicContact CD1-CD1 3.88Å; L104-L258 HydrophobicContact CD2-CB 3.68Å; L104-L258 HydrophobicContact CD2-CD1 3.97Å; L104-L258 HydrophobicContact CD2-CG 4.5Å; L104-R271 HydrophobicContact CB-CB 4.45Å; L104-R271 HydrophobicContact CD2-CG 4.17Å; L104-F274 HydrophobicContact CD1-CB 4.06Å; L104-F274 HydrophobicContact CD1-CD1 4.17Å; L104-F274 HydrophobicContact CD1-CG 4.44Å; L104-M275 HydrophobicContact CB-CB 4.44Å |
| 105 | G | 86.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.2 | -43.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | I101 N107 F108 F109 L125 | I101-G105 VanDerWaalsContact O-CA 3.3Å; I101-G105 WeakPolarHBondContact O-CA 3.36Å; I101-G105 PolarHBondContact O-N 2.91Å; G105-N107 VanDerWaalsContact C-N 3.26Å; G105-N107 PolarHBondContact O-N 3.35Å; G105-F108 PolarHBondContact O-N 3.43Å; G105-F109 WeakPolarHBondContact O-CB 3.36Å; G105-F109 WeakPolarHBondContact O-CD2 3.42Å; G105-F109 PolarHBondContact O-N 3.03Å; G105-L125 WeakPolarHBondContact O-CD1 3.41Å |
| 106 | S | 86.2 | Confident | 84.5 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.3 | -31.4 | -179.9 | 63 | 0 | 0 | 0 | 0 | 113.1 | A102 D103 A110 | A102-S106 WeakPolarHBondContact O-CB 3.39Å; A102-S106 PolarHBondContact O-N 3.14Å; A102-S106 PolarHBondContact O-OG 2.65Å; D103-S106 PolarHBondContact O-OG 2.98Å; S106-A110 WeakPolarHBondContact O-CB 3.47Å; S106-A110 PolarHBondContact O-N 2.98Å |
| 107 | N | 80.8 | Confident | 83.3 | Confident | 36 Ų | 36 | 43 Ų | 43 | 19% | 0.193 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.5 | -54.5 | 170.7 | -75.4 | -90 | 0 | 0 | 0 | 111.4 | D103 G105 F109 A110 Q111 M259 | D103-N107 PolarHBondContact O-ND2 3.31Å; G105-N107 VanDerWaalsContact C-N 3.26Å; G105-N107 PolarHBondContact O-N 3.35Å; N107-F109 PolarHBondContact O-N 2.88Å; N107-A110 PolarHBondContact O-N 3.08Å; N107-Q111 WeakPolarHBondContact O-CG 3.5Å; N107-Q111 PolarHBondContact O-N 3.31Å; N107-M259 WeakPolarHBondContact ND2-CE 3.19Å |
| 108 | F | 82.8 | Confident | 82.7 | Confident | 55 Ų | 55 | 46 Ų | 46 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -49.9 | -175.5 | 176.5 | -103.4 | 0 | 0 | 0 | 113.1 | L104 G105 Q111 L112 V272 | L104-F108 PolarHBondContact O-N 3.34Å; L104-F108 VanDerWaalsContact O-N 3.12Å; G105-F108 PolarHBondContact O-N 3.43Å; F108-Q111 PolarHBondContact O-N 2.64Å; F108-L112 HydrophobicContact CE1-CD2 4.09Å; F108-L112 HydrophobicContact CZ-CD2 4.31Å; F108-L112 WeakPolarHBondContact O-CB 3.42Å; F108-L112 PolarHBondContact O-N 3.34Å; F108-V272 HydrophobicContact CD1-CG2 4.08Å; F108-V272 HydrophobicContact CD2-CG2 3.62Å; F108-V272 HydrophobicContact CE1-CG2 4.13Å; F108-V272 HydrophobicContact CE2-CG2 3.68Å; F108-V272 HydrophobicContact CG-CG2 3.83Å; F108-V272 HydrophobicContact CZ-CG2 3.94Å |
| 109 | F | 81 | Confident | 81.9 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 31% | 0.311 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -73.4 | -27.9 | -178.2 | -76.1 | -88.1 | 0 | 0 | 0 | 113 | G105 N107 L113 F121 L125 M275 | G105-F109 WeakPolarHBondContact O-CB 3.36Å; G105-F109 WeakPolarHBondContact O-CD2 3.42Å; G105-F109 PolarHBondContact O-N 3.03Å; N107-F109 PolarHBondContact O-N 2.88Å; F109-L113 VanDerWaalsContact O-CB 3.29Å; F109-L113 WeakPolarHBondContact O-CB 3.36Å; F109-L113 VanDerWaalsContact O-CG 3.23Å; F109-L113 WeakPolarHBondContact O-CG 3.45Å; F109-L113 PolarHBondContact O-N 2.99Å; F109-F121 HydrophobicContact CB-CE1 4.22Å; F109-F121 HydrophobicContact CB-CZ 3.85Å; F109-L125 HydrophobicContact CB-CD1 3.7Å; F109-L125 HydrophobicContact CD2-CD1 3.61Å; F109-L125 HydrophobicContact CE2-CD1 4.46Å; F109-L125 HydrophobicContact CG-CD1 3.86Å; F109-M275 HydrophobicContact CE2-CE 4.21Å |
| 110 | A | 80.3 | Confident | 81.5 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.017 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S106 N107 L113 G114 L115 V117 F121 | S106-A110 WeakPolarHBondContact O-CB 3.47Å; S106-A110 PolarHBondContact O-N 2.98Å; N107-A110 PolarHBondContact O-N 3.08Å; A110-L113 PolarHBondContact O-N 2.77Å; A110-G114 PolarHBondContact O-N 3.02Å; A110-L115 WeakPolarHBondContact CB-O 3.22Å; A110-L115 PolarHBondContact O-N 2.87Å; A110-V117 HydrophobicContact CB-CG2 3.46Å; A110-V117 VanDerWaalsContact CB-CG2 3.46Å; A110-F121 HydrophobicContact CB-CD1 4.38Å; A110-F121 HydrophobicContact CB-CE1 3.89Å |
| 111 | Q | 77.3 | Confident | 81.1 | Confident | 89 Ų | 89 | 54.2 Ų | 54.2 | 42% | 0.416 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 172.9 | -71.2 | -178.5 | -116.9 | 0 | 0 | 111.7 | N107 F108 L113 G114 S263 E268 | N107-Q111 WeakPolarHBondContact O-CG 3.5Å; N107-Q111 PolarHBondContact O-N 3.31Å; F108-Q111 PolarHBondContact O-N 2.64Å; Q111-L113 VanDerWaalsContact C-N 3.33Å; Q111-L113 PolarHBondContact O-N 2.68Å; Q111-G114 PolarHBondContact O-N 2.71Å; Q111-S263 PolarHBondContact OE1-OG 3.47Å; Q111-E268 PolarHBondContact NE2-OE1 3.2Å |
| 112 | L | 79.6 | Confident | 80.9 | Confident | 116 Ų | 116 | 56.3 Ų | 56.3 | 61% | 0.607 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.5 | -32 | -179.3 | -175 | 62.4 | 0 | 0 | 0 | 113.5 | F108 | F108-L112 HydrophobicContact CE1-CD2 4.09Å; F108-L112 HydrophobicContact CZ-CD2 4.31Å; F108-L112 WeakPolarHBondContact O-CB 3.42Å; F108-L112 PolarHBondContact O-N 3.34Å |
| 113 | L | 79 | Confident | 80.8 | Confident | 104 Ų | 104 | 58.7 Ų | 58.7 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -96.7 | -3.4 | -179.8 | -63.1 | 172.2 | 0 | 0 | 0 | 113.7 | F109 A110 Q111 L115 F121 | F109-L113 VanDerWaalsContact O-CB 3.29Å; F109-L113 WeakPolarHBondContact O-CB 3.36Å; F109-L113 VanDerWaalsContact O-CG 3.23Å; F109-L113 WeakPolarHBondContact O-CG 3.45Å; F109-L113 PolarHBondContact O-N 2.99Å; A110-L113 PolarHBondContact O-N 2.77Å; Q111-L113 VanDerWaalsContact C-N 3.33Å; Q111-L113 PolarHBondContact O-N 2.68Å; L113-L115 HydrophobicContact CB-CB 4.47Å; L113-L115 HydrophobicContact CB-CD1 3.96Å; L113-L115 HydrophobicContact CB-CG 3.9Å; L113-L115 HydrophobicContact CD1-CD1 4.17Å; L113-L115 PolarHBondContact O-N 3.02Å; L113-F121 HydrophobicContact CD1-CE2 4.15Å; L113-F121 HydrophobicContact CD1-CZ 4.17Å |
| 114 | G | 74.6 | Confident | 80.7 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 72% | 0.722 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 19.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A110 Q111 | A110-G114 PolarHBondContact O-N 3.02Å; Q111-G114 PolarHBondContact O-N 2.71Å |
| 115 | L | 75.1 | Confident | 80.6 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 51% | 0.513 | 37% | 0.367 | S | S | . | . | trans | -95.5 | 153.4 | -175.4 | -64.2 | 178.4 | 0 | 0 | 0 | 111.8 | A110 L113 F121 | A110-L115 WeakPolarHBondContact CB-O 3.22Å; A110-L115 PolarHBondContact O-N 2.87Å; L113-L115 HydrophobicContact CB-CB 4.47Å; L113-L115 HydrophobicContact CB-CD1 3.96Å; L113-L115 HydrophobicContact CB-CG 3.9Å; L113-L115 HydrophobicContact CD1-CD1 4.17Å; L113-L115 PolarHBondContact O-N 3.02Å; L115-F121 HydrophobicContact CD1-CE2 4.31Å | ||
| 116 | Q | 72.3 | Confident | 80.7 | Confident | 165 Ų | 165 | 64.4 Ų | 64.4 | 77% | 0.771 | 37% | 0.367 | S | S | * | . | trans | -73.9 | 137.4 | 173.3 | -73.4 | -68.4 | -10.5 | 0 | 0 | 111.6 | T118 | Q116-T118 VanDerWaalsContact C-N 3.28Å; Q116-T118 PolarHBondContact O-N 2.99Å | ||
| 117 | V | 67.9 | Low | 80.9 | Confident | 74 Ų | 74 | 67 Ų | 67 | 45% | 0.448 | 38% | 0.38 | S | S | . | . | trans | -71.8 | 79.5 | 179 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | A110 | A110-V117 HydrophobicContact CB-CG2 3.46Å; A110-V117 VanDerWaalsContact CB-CG2 3.46Å | ||
| 118 | T | 78.4 | Confident | 81.3 | Confident | 70 Ų | 70 | 67.2 Ų | 67.2 | 43% | 0.429 | 39% | 0.387 | S | S | . | . | trans | -84.4 | 153.4 | 174.4 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | Q116 S120 F121 R122 | Q116-T118 VanDerWaalsContact C-N 3.28Å; Q116-T118 PolarHBondContact O-N 2.99Å; T118-S120 PolarHBondContact O-N 3.24Å; T118-F121 WeakPolarHBondContact O-CB 3.39Å; T118-F121 PolarHBondContact O-N 3.24Å; T118-F121 WeakPolarHBondContact OG1-CB 3.48Å; T118-F121 PolarHBondContact OG1-N 3Å; T118-R122 PolarHBondContact O-N 3.43Å; T118-R122 VanDerWaalsContact O-N 3.09Å | ||
| 119 | G | 76.7 | Confident | 81.5 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 58% | 0.577 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -57.1 | -36.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R122 V123 | G119-R122 WeakPolarHBondContact O-CB 3.44Å; G119-R122 PolarHBondContact O-N 3.4Å; G119-V123 WeakPolarHBondContact O-CG2 3.47Å; G119-V123 PolarHBondContact O-N 3.17Å; G119-V123 VanDerWaalsContact O-N 3.11Å |
| 120 | S | 83 | Confident | 81.8 | Confident | 86 Ų | 86 | 62.4 Ų | 62.4 | 60% | 0.601 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.2 | -40.6 | 174.2 | -48.2 | 0 | 0 | 0 | 0 | 112.5 | T118 V123 L124 | T118-S120 PolarHBondContact O-N 3.24Å; S120-V123 PolarHBondContact O-N 2.67Å; S120-L124 WeakPolarHBondContact O-CB 3.25Å; S120-L124 WeakPolarHBondContact O-CG 3.33Å; S120-L124 PolarHBondContact O-N 2.67Å |
| 121 | F | 84.1 | Confident | 82.2 | Confident | 31 Ų | 31 | 65.9 Ų | 65.9 | 14% | 0.136 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 175.3 | -177.5 | -104.9 | 0 | 0 | 0 | 111.9 | F109 A110 L113 L115 T118 V123 L124 L125 | F109-F121 HydrophobicContact CB-CE1 4.22Å; F109-F121 HydrophobicContact CB-CZ 3.85Å; A110-F121 HydrophobicContact CB-CD1 4.38Å; A110-F121 HydrophobicContact CB-CE1 3.89Å; L113-F121 HydrophobicContact CD1-CE2 4.15Å; L113-F121 HydrophobicContact CD1-CZ 4.17Å; L115-F121 HydrophobicContact CD1-CE2 4.31Å; T118-F121 WeakPolarHBondContact O-CB 3.39Å; T118-F121 PolarHBondContact O-N 3.24Å; T118-F121 WeakPolarHBondContact OG1-CB 3.48Å; T118-F121 PolarHBondContact OG1-N 3Å; F121-V123 VanDerWaalsContact C-N 3.33Å; F121-V123 PolarHBondContact O-N 3.3Å; F121-L124 PolarHBondContact O-N 3.08Å; F121-L125 HydrophobicContact CE1-CD1 4.14Å; F121-L125 HydrophobicContact CZ-CD1 4.29Å; F121-L125 VanDerWaalsContact O-CB 3.26Å; F121-L125 WeakPolarHBondContact O-CB 3.49Å; F121-L125 PolarHBondContact O-N 2.96Å |
| 122 | R | 85.6 | Confident | 82.8 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 17% | 0.166 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -55.9 | -45.6 | 173.2 | -179 | -166.8 | 177.3 | 98 | 0.2 | 111.7 | A102 D103 T118 G119 L126 P337 | A102-R122 HydrophobicContact CB-CG 3.96Å; D103-R122 IonicContact OD1-CZ 2.7Å; D103-R122 IonicContact OD1-NH1 2.72Å; D103-R122 PolarHBondContact OD1-NH1 3.46Å; D103-R122 IonicContact OD1-NH2 3.15Å; D103-R122 PolarHBondContact OD1-NH2 3.01Å; T118-R122 PolarHBondContact O-N 3.43Å; T118-R122 VanDerWaalsContact O-N 3.09Å; G119-R122 WeakPolarHBondContact O-CB 3.44Å; G119-R122 PolarHBondContact O-N 3.4Å; R122-L126 WeakPolarHBondContact O-CB 3.43Å; R122-L126 PolarHBondContact O-N 3.03Å; R122-P337 PolarHBondContact NH2-O 2.98Å |
| 123 | V | 87.6 | Confident | 83.1 | Confident | 51 Ų | 51 | 65.2 Ų | 65.2 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.2 | -44 | -179.8 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | G119 S120 F121 L125 L126 I127 I334 | G119-V123 WeakPolarHBondContact O-CG2 3.47Å; G119-V123 PolarHBondContact O-N 3.17Å; G119-V123 VanDerWaalsContact O-N 3.11Å; S120-V123 PolarHBondContact O-N 2.67Å; F121-V123 VanDerWaalsContact C-N 3.33Å; F121-V123 PolarHBondContact O-N 3.3Å; V123-L125 VanDerWaalsContact C-N 3.33Å; V123-L125 PolarHBondContact O-N 2.67Å; V123-L126 PolarHBondContact O-N 3.49Å; V123-I127 HydrophobicContact CG1-CD1 3.88Å; V123-I127 WeakPolarHBondContact O-CG1 3.41Å; V123-I127 PolarHBondContact O-N 3Å; V123-I334 HydrophobicContact CG1-CD1 4.1Å; V123-I334 HydrophobicContact CG1-CG1 4.29Å; V123-I334 HydrophobicContact CG1-CG2 4.41Å; V123-I334 HydrophobicContact CG2-CG2 4.2Å |
| 124 | L | 88 | Confident | 83.5 | Confident | 115 Ų | 115 | 60.3 Ų | 60.3 | 60% | 0.602 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.1 | -43.2 | 175 | -82.4 | 166.8 | 0 | 0 | 0 | 112 | S120 F121 I127 A128 | S120-L124 WeakPolarHBondContact O-CB 3.25Å; S120-L124 WeakPolarHBondContact O-CG 3.33Å; S120-L124 PolarHBondContact O-N 2.67Å; F121-L124 PolarHBondContact O-N 3.08Å; L124-I127 PolarHBondContact O-N 3.01Å; L124-A128 WeakPolarHBondContact O-CB 3.38Å; L124-A128 PolarHBondContact O-N 2.96Å |
| 125 | L | 85.9 | Confident | 84.2 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 176.8 | -177.5 | 147.4 | 0 | 0 | 0 | 112 | G105 F109 F121 V123 I127 A128 V129 | G105-L125 WeakPolarHBondContact O-CD1 3.41Å; F109-L125 HydrophobicContact CB-CD1 3.7Å; F109-L125 HydrophobicContact CD2-CD1 3.61Å; F109-L125 HydrophobicContact CE2-CD1 4.46Å; F109-L125 HydrophobicContact CG-CD1 3.86Å; F121-L125 HydrophobicContact CE1-CD1 4.14Å; F121-L125 HydrophobicContact CZ-CD1 4.29Å; F121-L125 VanDerWaalsContact O-CB 3.26Å; F121-L125 WeakPolarHBondContact O-CB 3.49Å; F121-L125 PolarHBondContact O-N 2.96Å; V123-L125 VanDerWaalsContact C-N 3.33Å; V123-L125 PolarHBondContact O-N 2.67Å; L125-I127 VanDerWaalsContact C-N 3.33Å; L125-I127 PolarHBondContact O-N 3.15Å; L125-A128 PolarHBondContact O-N 3.44Å; L125-V129 HydrophobicContact CD2-CG2 4.2Å; L125-V129 HydrophobicContact CG-CG2 4.39Å; L125-V129 WeakPolarHBondContact O-CG2 3.35Å; L125-V129 PolarHBondContact O-N 3.46Å |
| 126 | L | 87.9 | Confident | 84.8 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | 176 | -161.3 | 170.7 | 0 | 0 | 0 | 110.3 | Y98 A102 R122 V123 S130 M330 I334 | Y98-L126 HydrophobicContact CD1-CD2 3.53Å; Y98-L126 HydrophobicContact CD1-CG 4.13Å; Y98-L126 HydrophobicContact CE1-CD2 4.04Å; Y98-L126 HydrophobicContact CG-CD2 4.02Å; A102-L126 HydrophobicContact CB-CB 4.29Å; A102-L126 HydrophobicContact CB-CD1 3.86Å; A102-L126 HydrophobicContact CB-CG 4.16Å; R122-L126 WeakPolarHBondContact O-CB 3.43Å; R122-L126 PolarHBondContact O-N 3.03Å; V123-L126 PolarHBondContact O-N 3.49Å; L126-S130 WeakPolarHBondContact O-CB 3.47Å; L126-S130 PolarHBondContact O-N 3.48Å; L126-M330 HydrophobicContact CD2-CB 4.31Å; L126-M330 HydrophobicContact CD2-CG 3.35Å; L126-I334 HydrophobicContact CD1-CG1 3.97Å; L126-I334 HydrophobicContact CD2-CG1 4.39Å |
| 127 | I | 89.9 | Confident | 85.3 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 29% | 0.292 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 175 | -66.9 | 165.9 | 0 | 0 | 0 | 111.5 | V123 L124 L125 S130 L131 M330 I334 | V123-I127 HydrophobicContact CG1-CD1 3.88Å; V123-I127 WeakPolarHBondContact O-CG1 3.41Å; V123-I127 PolarHBondContact O-N 3Å; L124-I127 PolarHBondContact O-N 3.01Å; L125-I127 VanDerWaalsContact C-N 3.33Å; L125-I127 PolarHBondContact O-N 3.15Å; I127-S130 WeakPolarHBondContact O-CB 3.37Å; I127-S130 PolarHBondContact O-N 3.1Å; I127-L131 HydrophobicContact CG2-CD1 3.83Å; I127-L131 HydrophobicContact CG2-CG 4.42Å; I127-L131 WeakPolarHBondContact O-CG 3.41Å; I127-L131 PolarHBondContact O-N 3.37Å; I127-M330 HydrophobicContact CG1-CE 4.16Å; I127-M330 HydrophobicContact CG1-SD 4.17Å; I127-I334 HydrophobicContact CG1-CD1 4.35Å |
| 128 | A | 89.6 | Confident | 86 | Confident | 41 Ų | 41 | 48 Ų | 48 | 34% | 0.339 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.4 | -48.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L124 L125 S130 L131 L132 | L124-A128 WeakPolarHBondContact O-CB 3.38Å; L124-A128 PolarHBondContact O-N 2.96Å; L125-A128 PolarHBondContact O-N 3.44Å; A128-S130 VanDerWaalsContact C-N 3.3Å; A128-S130 PolarHBondContact O-N 3.47Å; A128-L131 PolarHBondContact O-N 3.38Å; A128-L132 VanDerWaalsContact O-CB 3.26Å; A128-L132 WeakPolarHBondContact O-CB 3.39Å; A128-L132 WeakPolarHBondContact O-CG 3.3Å; A128-L132 PolarHBondContact O-N 3.4Å |
| 129 | V | 86.8 | Confident | 86.2 | Confident | 24 Ų | 24 | 47.7 Ų | 47.7 | 15% | 0.145 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.6 | -34.6 | 176.6 | 179.4 | 0 | 0 | 0 | 0 | 111 | I101 L125 V133 V134 | I101-V129 HydrophobicContact CG2-CB 4.2Å; I101-V129 HydrophobicContact CG2-CG1 3.77Å; I101-V129 HydrophobicContact CG2-CG2 4.48Å; L125-V129 HydrophobicContact CD2-CG2 4.2Å; L125-V129 HydrophobicContact CG-CG2 4.39Å; L125-V129 WeakPolarHBondContact O-CG2 3.35Å; L125-V129 PolarHBondContact O-N 3.46Å; V129-V133 HydrophobicContact CG1-CB 4.13Å; V129-V133 HydrophobicContact CG1-CG2 4.3Å; V129-V133 WeakPolarHBondContact O-CA 3.38Å; V129-V133 WeakPolarHBondContact O-CB 3.46Å; V129-V133 PolarHBondContact O-N 3.38Å; V129-V134 HydrophobicContact CG1-CG2 4.47Å; V129-V134 PolarHBondContact O-N 2.99Å |
| 130 | S | 87.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -58.5 | -51.7 | 172.7 | -174.4 | 0 | 0 | 0 | 0 | 112 | Y98 L126 I127 A128 V134 L135 M330 | Y98-S130 PolarHBondContact OH-OG 3.43Å; L126-S130 WeakPolarHBondContact O-CB 3.47Å; L126-S130 PolarHBondContact O-N 3.48Å; I127-S130 WeakPolarHBondContact O-CB 3.37Å; I127-S130 PolarHBondContact O-N 3.1Å; A128-S130 VanDerWaalsContact C-N 3.3Å; A128-S130 PolarHBondContact O-N 3.47Å; S130-V134 PolarHBondContact O-N 2.87Å; S130-L135 VanDerWaalsContact O-CB 3.25Å; S130-L135 WeakPolarHBondContact O-CB 3.47Å; S130-L135 PolarHBondContact O-N 3.12Å; S130-M330 VanDerWaalsContact CB-SD 3.55Å; S130-M330 PolarHBondContact OG-SD 3.05Å |
| 131 | L | 89.1 | Confident | 85.3 | Confident | 76 Ų | 76 | 51.6 Ų | 51.6 | 40% | 0.398 | 27% | 0.269 | S | S | . | . | I | π-helix | trans | -75.5 | -39.6 | -175.9 | -68.7 | 174.1 | 0 | 0 | 0 | 113.6 | I127 A128 L135 P136 F327 | I127-L131 HydrophobicContact CG2-CD1 3.83Å; I127-L131 HydrophobicContact CG2-CG 4.42Å; I127-L131 WeakPolarHBondContact O-CG 3.41Å; I127-L131 PolarHBondContact O-N 3.37Å; A128-L131 PolarHBondContact O-N 3.38Å; L131-L135 HydrophobicContact CD2-CD2 4.14Å; L131-P136 WeakPolarHBondContact O-CD 3.26Å; L131-F327 HydrophobicContact CD2-CE1 3.79Å; L131-F327 HydrophobicContact CD2-CZ 3.7Å |
| 132 | L | 89.1 | Confident | 83.9 | Confident | 138 Ų | 138 | 56.9 Ų | 56.9 | 72% | 0.723 | 30% | 0.299 | S | S | * | . | I | π-helix | trans | -91.7 | -21.7 | -171.8 | -60.1 | 175.9 | 0 | 0 | 0 | 113.9 | A128 P136 | A128-L132 VanDerWaalsContact O-CB 3.26Å; A128-L132 WeakPolarHBondContact O-CB 3.39Å; A128-L132 WeakPolarHBondContact O-CG 3.3Å; A128-L132 PolarHBondContact O-N 3.4Å; L132-P136 WeakPolarHBondContact O-CG 3.42Å |
| 133 | V | 87.1 | Confident | 82.7 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -122.5 | -59.6 | -176 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | V129 P136 L137 | V129-V133 HydrophobicContact CG1-CB 4.13Å; V129-V133 HydrophobicContact CG1-CG2 4.3Å; V129-V133 WeakPolarHBondContact O-CA 3.38Å; V129-V133 WeakPolarHBondContact O-CB 3.46Å; V129-V133 PolarHBondContact O-N 3.38Å; V133-P136 WeakPolarHBondContact O-CD 3.36Å; V133-P136 WeakPolarHBondContact O-CG 3.36Å; V133-L137 HydrophobicContact CG1-CD1 3.73Å; V133-L137 WeakPolarHBondContact O-CB 3.27Å; V133-L137 WeakPolarHBondContact O-CD1 2.84Å; V133-L137 WeakPolarHBondContact O-CG 3.36Å; V133-L137 PolarHBondContact O-N 3.21Å |
| 134 | V | 86.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.324 | C | S | . | . | I | π-helix | trans | -68 | -45.6 | -172.1 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | Y98 V129 S130 S138 F282 | Y98-V134 HydrophobicContact CE1-CG2 4.1Å; V129-V134 HydrophobicContact CG1-CG2 4.47Å; V129-V134 PolarHBondContact O-N 2.99Å; S130-V134 PolarHBondContact O-N 2.87Å; V134-S138 VanDerWaalsContact O-CB 3.23Å; V134-S138 WeakPolarHBondContact O-CB 3.31Å; V134-S138 PolarHBondContact O-N 3.06Å; V134-S138 PolarHBondContact O-OG 3.46Å; V134-F282 HydrophobicContact CG1-CB 4.31Å; V134-F282 HydrophobicContact CG1-CD1 3.31Å; V134-F282 HydrophobicContact CG1-CD2 4.04Å; V134-F282 HydrophobicContact CG1-CE1 3.47Å; V134-F282 VanDerWaalsContact CG1-CE1 3.47Å; V134-F282 HydrophobicContact CG1-CE2 4.18Å; V134-F282 HydrophobicContact CG1-CG 3.63Å; V134-F282 HydrophobicContact CG1-CZ 3.91Å |
| 135 | L | 88.7 | Confident | 79.6 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 17% | 0.173 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.8 | -55.2 | -179.9 | -178 | 64.4 | 0 | 0 | 0 | 112.7 | S130 L131 L137 S138 L139 V326 | S130-L135 VanDerWaalsContact O-CB 3.25Å; S130-L135 WeakPolarHBondContact O-CB 3.47Å; S130-L135 PolarHBondContact O-N 3.12Å; L131-L135 HydrophobicContact CD2-CD2 4.14Å; L135-L137 PolarHBondContact O-N 2.69Å; L135-S138 PolarHBondContact O-N 2.97Å; L135-S138 PolarHBondContact O-OG 3.21Å; L135-L139 HydrophobicContact CD1-CD1 3.65Å; L135-L139 HydrophobicContact CG-CD1 4.25Å; L135-L139 WeakPolarHBondContact O-CD1 3.37Å; L135-L139 PolarHBondContact O-N 2.97Å; L135-L139 VanDerWaalsContact O-N 3.1Å; L135-V326 HydrophobicContact CB-CG1 4.33Å; L135-V326 HydrophobicContact CD1-CB 4.41Å; L135-V326 HydrophobicContact CD1-CG1 4.13Å; L135-V326 HydrophobicContact CD1-CG2 4.38Å |
| 136 | P | 87.9 | Confident | 78.5 | Confident | 69 Ų | 69 | 63.2 Ų | 63.2 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 178.5 | 21.5 | -31.5 | 0 | 0 | 0 | 112.9 | L131 L132 V133 S138 L139 Q140 | L131-P136 WeakPolarHBondContact O-CD 3.26Å; L132-P136 WeakPolarHBondContact O-CG 3.42Å; V133-P136 WeakPolarHBondContact O-CD 3.36Å; V133-P136 WeakPolarHBondContact O-CG 3.36Å; P136-S138 VanDerWaalsContact C-N 3.28Å; P136-S138 PolarHBondContact O-N 2.97Å; P136-L139 PolarHBondContact O-N 2.97Å; P136-Q140 PolarHBondContact O-N 2.93Å |
| 137 | L | 83.3 | Confident | 77.3 | Confident | 45 Ų | 45 | 63.8 Ų | 63.8 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60 | -37.5 | 175.2 | -70.3 | 172.7 | 0 | 0 | 0 | 112.1 | V133 L135 Q140 M143 P283 | V133-L137 HydrophobicContact CG1-CD1 3.73Å; V133-L137 WeakPolarHBondContact O-CB 3.27Å; V133-L137 WeakPolarHBondContact O-CD1 2.84Å; V133-L137 WeakPolarHBondContact O-CG 3.36Å; V133-L137 PolarHBondContact O-N 3.21Å; L135-L137 PolarHBondContact O-N 2.69Å; L137-Q140 PolarHBondContact O-N 2.92Å; L137-M143 HydrophobicContact CD2-CE 3.5Å; L137-P283 HydrophobicContact CB-CG 3.78Å |
| 138 | S | 83.4 | Confident | 76.2 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.014 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -73 | -26.8 | 179.2 | 75.1 | 0 | 0 | 0 | 0 | 114.4 | V134 L135 P136 T322 | V134-S138 VanDerWaalsContact O-CB 3.23Å; V134-S138 WeakPolarHBondContact O-CB 3.31Å; V134-S138 PolarHBondContact O-N 3.06Å; V134-S138 PolarHBondContact O-OG 3.46Å; L135-S138 PolarHBondContact O-N 2.97Å; L135-S138 PolarHBondContact O-OG 3.21Å; P136-S138 VanDerWaalsContact C-N 3.28Å; P136-S138 PolarHBondContact O-N 2.97Å; S138-T322 WeakPolarHBondContact OG-CG2 3.41Å |
| 139 | L | 82.1 | Confident | 75.2 | Confident | 63 Ų | 63 | 70 Ų | 70 | 33% | 0.33 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -77.6 | -20.3 | 175.8 | -99 | 78.9 | 0 | 0 | 0 | 112.8 | L135 P136 R141 F318 K319 T322 | L135-L139 HydrophobicContact CD1-CD1 3.65Å; L135-L139 HydrophobicContact CG-CD1 4.25Å; L135-L139 WeakPolarHBondContact O-CD1 3.37Å; L135-L139 PolarHBondContact O-N 2.97Å; L135-L139 VanDerWaalsContact O-N 3.1Å; P136-L139 PolarHBondContact O-N 2.97Å; L139-R141 PolarHBondContact O-N 2.95Å; L139-F318 WeakPolarHBondContact O-CE1 3.23Å; L139-K319 HydrophobicContact CD2-CG 4.34Å; L139-T322 HydrophobicContact CD1-CG2 4.14Å |
| 140 | Q | 78.1 | Confident | 74.5 | Confident | 101 Ų | 101 | 73.8 Ų | 73.8 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | trans | -71.7 | 116.6 | -175.6 | -168 | 167.3 | -22.6 | 0 | 0 | 111.7 | P136 L137 M143 | P136-Q140 PolarHBondContact O-N 2.93Å; L137-Q140 PolarHBondContact O-N 2.92Å; Q140-M143 HydrophobicContact CB-CG 4.03Å; Q140-M143 HydrophobicContact CG-CG 3.92Å | ||
| 141 | R | 62.1 | Low | 73.8 | Confident | 123 Ų | 123 | 74.6 Ų | 74.6 | 46% | 0.464 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -25.9 | -170.8 | -168 | 165.9 | 175 | 144.2 | -7.8 | 114.3 | L139 F318 | L139-R141 PolarHBondContact O-N 2.95Å; R141-F318 HydrophobicContact CB-CE2 4.44Å; R141-F318 HydrophobicContact CB-CZ 4.1Å; R141-F318 HydrophobicContact CG-CE2 4.07Å; R141-F318 HydrophobicContact CG-CZ 4.24Å |
| 142 | N | 56 | Low | 73.1 | Confident | 142 Ų | 142 | 73.5 Ų | 73.5 | 76% | 0.759 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | 41.3 | -167.1 | -64.6 | 12.7 | 0 | 0 | 0 | 113.5 | M144 | N142-M144 VanDerWaalsContact C-N 3.32Å; N142-M144 PolarHBondContact O-N 3.35Å |
| 143 | M | 58.6 | Low | 72.6 | Confident | 30 Ų | 30 | 72.1 Ų | 72.1 | 15% | 0.148 | 39% | 0.388 | C | S | . | . | trans | -80.3 | -1 | -176.9 | -87.3 | -69.3 | -153.6 | 0 | 0 | 115.7 | L137 Q140 S145 S146 I147 | L137-M143 HydrophobicContact CD2-CE 3.5Å; Q140-M143 HydrophobicContact CB-CG 4.03Å; Q140-M143 HydrophobicContact CG-CG 3.92Å; M143-S145 PolarHBondContact O-N 3.4Å; M143-S146 PolarHBondContact O-N 3.46Å; M143-I147 HydrophobicContact CB-CD1 3.56Å; M143-I147 HydrophobicContact CB-CG1 3.98Å; M143-I147 HydrophobicContact CG-CD1 4.48Å; M143-I147 WeakPolarHBondContact O-CG1 3.47Å; M143-I147 PolarHBondContact O-N 3.05Å | ||
| 144 | M | 55 | Low | 72.2 | Confident | 173 Ų | 173 | 70 Ų | 70 | 85% | 0.852 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.3 | -37.9 | -158.9 | -158.5 | 165.6 | -173.6 | 0 | 0 | 115.2 | N142 | N142-M144 VanDerWaalsContact C-N 3.32Å; N142-M144 PolarHBondContact O-N 3.35Å |
| 145 | S | 56.9 | Low | 72 | Confident | 107 Ų | 107 | 71.1 Ų | 71.1 | 75% | 0.748 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -74.1 | -47.8 | 174.8 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | M143 I147 Q148 | M143-S145 PolarHBondContact O-N 3.4Å; S145-I147 PolarHBondContact O-N 3.38Å; S145-Q148 WeakPolarHBondContact O-CB 3.4Å; S145-Q148 PolarHBondContact O-N 3Å; S145-Q148 VanDerWaalsContact O-N 3.11Å |
| 146 | S | 61.5 | Low | 71.8 | Confident | 49 Ų | 49 | 73.7 Ų | 73.7 | 34% | 0.343 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.5 | -42.8 | -178 | -174.6 | 0 | 0 | 0 | 0 | 112.9 | M143 Q148 S149 F150 | M143-S146 PolarHBondContact O-N 3.46Å; S146-Q148 PolarHBondContact O-N 2.98Å; S146-Q148 VanDerWaalsContact O-N 3.15Å; S146-S149 PolarHBondContact O-N 3.04Å; S146-S149 PolarHBondContact O-OG 2.98Å; S146-F150 WeakPolarHBondContact O-CD2 3.48Å; S146-F150 PolarHBondContact O-N 3.13Å |
| 147 | I | 64.3 | Low | 71.6 | Confident | 13 Ų | 13 | 74.3 Ų | 74.3 | 7% | 0.067 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.6 | -28.8 | 179.9 | -68.1 | 166.1 | 0 | 0 | 0 | 112.3 | M143 S145 S149 F150 S151 M284 | M143-I147 HydrophobicContact CB-CD1 3.56Å; M143-I147 HydrophobicContact CB-CG1 3.98Å; M143-I147 HydrophobicContact CG-CD1 4.48Å; M143-I147 WeakPolarHBondContact O-CG1 3.47Å; M143-I147 PolarHBondContact O-N 3.05Å; S145-I147 PolarHBondContact O-N 3.38Å; I147-S149 VanDerWaalsContact C-N 3.34Å; I147-S149 PolarHBondContact O-N 3.22Å; I147-F150 PolarHBondContact O-N 3.48Å; I147-S151 WeakPolarHBondContact O-CB 3.32Å; I147-S151 PolarHBondContact O-N 3.31Å; I147-M284 HydrophobicContact CD1-CG 4.18Å; I147-M284 HydrophobicContact CD1-SD 4.03Å; I147-M284 HydrophobicContact CG2-CE 3.86Å; I147-M284 HydrophobicContact CG2-CG 3.61Å; I147-M284 HydrophobicContact CG2-SD 3.68Å |
| 148 | Q | 65.1 | Low | 71.8 | Confident | 157 Ų | 157 | 72.7 Ų | 72.7 | 73% | 0.734 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.9 | -35 | -178.5 | -171.4 | 168.7 | -52.1 | 0 | 0 | 112.6 | S145 S146 S151 A152 | S145-Q148 WeakPolarHBondContact O-CB 3.4Å; S145-Q148 PolarHBondContact O-N 3Å; S145-Q148 VanDerWaalsContact O-N 3.11Å; S146-Q148 PolarHBondContact O-N 2.98Å; S146-Q148 VanDerWaalsContact O-N 3.15Å; Q148-S151 WeakPolarHBondContact O-CB 3.24Å; Q148-A152 PolarHBondContact O-N 3.15Å |
| 149 | S | 70.1 | Confident | 72 | Confident | 72 Ų | 72 | 76.1 Ų | 76.1 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -75.4 | -40.3 | 175 | 63.3 | 0 | 0 | 0 | 0 | 112 | S146 I147 S151 A152 M153 | S146-S149 PolarHBondContact O-N 3.04Å; S146-S149 PolarHBondContact O-OG 2.98Å; I147-S149 VanDerWaalsContact C-N 3.34Å; I147-S149 PolarHBondContact O-N 3.22Å; S149-S151 VanDerWaalsContact C-N 3.29Å; S149-S151 PolarHBondContact O-N 3.11Å; S149-A152 WeakPolarHBondContact O-CB 3.5Å; S149-A152 PolarHBondContact O-N 2.96Å; S149-M153 PolarHBondContact O-N 2.85Å; S149-M153 VanDerWaalsContact O-N 3.12Å |
| 150 | F | 71.2 | Confident | 72.3 | Confident | 104 Ų | 104 | 77.1 Ų | 77.1 | 46% | 0.456 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.6 | -33.3 | 172.6 | -75 | -74.5 | 0 | 0 | 0 | 112.9 | S146 I147 A152 M153 A154 V280 | S146-F150 WeakPolarHBondContact O-CD2 3.48Å; S146-F150 PolarHBondContact O-N 3.13Å; I147-F150 PolarHBondContact O-N 3.48Å; F150-A152 VanDerWaalsContact C-N 3.34Å; F150-M153 PolarHBondContact O-N 3.07Å; F150-A154 PolarHBondContact O-N 2.92Å; F150-V280 HydrophobicContact CB-CG1 3.8Å; F150-V280 HydrophobicContact CD1-CG2 4.37Å; F150-V280 HydrophobicContact CG-CG1 4.27Å |
| 151 | S | 72.4 | Confident | 72.8 | Confident | 16 Ų | 16 | 72.4 Ų | 72.4 | 11% | 0.112 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 173.4 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | N14 I147 Q148 S149 A154 L155 | N14-S151 PolarHBondContact ND2-OG 3.36Å; I147-S151 WeakPolarHBondContact O-CB 3.32Å; I147-S151 PolarHBondContact O-N 3.31Å; Q148-S151 WeakPolarHBondContact O-CB 3.24Å; S149-S151 VanDerWaalsContact C-N 3.29Å; S149-S151 PolarHBondContact O-N 3.11Å; S151-A154 PolarHBondContact O-N 3.46Å; S151-L155 PolarHBondContact O-N 3Å |
| 152 | A | 75 | Confident | 74.1 | Confident | 54 Ų | 54 | 69 Ų | 69 | 45% | 0.446 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.6 | -41 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q148 S149 F150 L155 I156 | Q148-A152 PolarHBondContact O-N 3.15Å; S149-A152 WeakPolarHBondContact O-CB 3.5Å; S149-A152 PolarHBondContact O-N 2.96Å; F150-A152 VanDerWaalsContact C-N 3.34Å; A152-L155 PolarHBondContact O-N 3.2Å; A152-I156 PolarHBondContact O-N 3.25Å |
| 153 | M | 77.9 | Confident | 75.7 | Confident | 108 Ų | 108 | 67.7 Ų | 67.7 | 53% | 0.532 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 174.1 | -70.7 | -66.4 | -172.8 | 0 | 0 | 112.6 | S149 F150 L155 I156 F157 | S149-M153 PolarHBondContact O-N 2.85Å; S149-M153 VanDerWaalsContact O-N 3.12Å; F150-M153 PolarHBondContact O-N 3.07Å; M153-L155 VanDerWaalsContact C-N 3.34Å; M153-L155 PolarHBondContact O-N 3.04Å; M153-I156 WeakPolarHBondContact O-CB 3.39Å; M153-I156 PolarHBondContact O-N 3.24Å; M153-I156 VanDerWaalsContact O-N 3.14Å; M153-I156 HydrophobicContact SD-CD1 4.16Å; M153-F157 WeakPolarHBondContact O-CD2 3.4Å; M153-F157 PolarHBondContact O-N 2.93Å |
| 154 | A | 79.9 | Confident | 77.1 | Confident | 8 Ų | 8 | 67.5 Ų | 67.5 | 7% | 0.066 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F150 S151 I156 F157 Y158 | F150-A154 PolarHBondContact O-N 2.92Å; S151-A154 PolarHBondContact O-N 3.46Å; A154-I156 VanDerWaalsContact C-N 3.31Å; A154-I156 PolarHBondContact O-N 3.29Å; A154-F157 PolarHBondContact O-N 3.36Å; A154-Y158 HydrophobicContact CB-CE2 4.22Å; A154-Y158 VanDerWaalsContact O-CD2 3.31Å; A154-Y158 WeakPolarHBondContact O-CD2 3.24Å; A154-Y158 VanDerWaalsContact O-CG 3.25Å; A154-Y158 PolarHBondContact O-N 3.41Å |
| 155 | L | 82.4 | Confident | 78.6 | Confident | 24 Ų | 24 | 59.3 Ų | 59.3 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60 | -38.6 | 174.1 | -72.3 | 173.1 | 0 | 0 | 0 | 112.5 | M10 V13 N14 S151 A152 M153 Y158 T159 | M10-L155 HydrophobicContact CB-CD1 4.07Å; M10-L155 HydrophobicContact CE-CD1 4.2Å; M10-L155 HydrophobicContact SD-CD1 4.4Å; V13-L155 HydrophobicContact CG1-CD2 4.02Å; N14-L155 HydrophobicContact CB-CD1 4.26Å; N14-L155 HydrophobicContact CB-CD2 3.85Å; N14-L155 HydrophobicContact CB-CG 4.01Å; S151-L155 PolarHBondContact O-N 3Å; A152-L155 PolarHBondContact O-N 3.2Å; M153-L155 VanDerWaalsContact C-N 3.34Å; M153-L155 PolarHBondContact O-N 3.04Å; L155-Y158 HydrophobicContact CD2-CD2 4.46Å; L155-Y158 PolarHBondContact O-N 3.1Å; L155-T159 PolarHBondContact O-N 2.64Å; L155-T159 PolarHBondContact O-OG1 3Å |
| 156 | I | 85 | Confident | 80.2 | Confident | 88 Ų | 88 | 55.3 Ų | 55.3 | 45% | 0.451 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 174.9 | -63.9 | 167.9 | 0 | 0 | 0 | 110.6 | A152 M153 A154 Y158 T159 L160 | A152-I156 PolarHBondContact O-N 3.25Å; M153-I156 WeakPolarHBondContact O-CB 3.39Å; M153-I156 PolarHBondContact O-N 3.24Å; M153-I156 VanDerWaalsContact O-N 3.14Å; M153-I156 HydrophobicContact SD-CD1 4.16Å; A154-I156 VanDerWaalsContact C-N 3.31Å; A154-I156 PolarHBondContact O-N 3.29Å; I156-Y158 VanDerWaalsContact C-N 3.31Å; I156-Y158 PolarHBondContact O-N 2.91Å; I156-T159 PolarHBondContact O-N 3.42Å; I156-T159 PolarHBondContact O-OG1 3.38Å; I156-L160 HydrophobicContact CG2-CD1 3.98Å; I156-L160 HydrophobicContact CG2-CG 4.38Å; I156-L160 VanDerWaalsContact O-CG 3.31Å; I156-L160 WeakPolarHBondContact O-CG 3.42Å; I156-L160 PolarHBondContact O-N 2.91Å |
| 157 | F | 82.9 | Confident | 81.4 | Confident | 81 Ų | 81 | 56.8 Ų | 56.8 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.7 | -36.6 | 175.4 | -73.8 | -66.3 | 0 | 0 | 0 | 112.7 | M153 A154 L160 F161 | M153-F157 WeakPolarHBondContact O-CD2 3.4Å; M153-F157 PolarHBondContact O-N 2.93Å; A154-F157 PolarHBondContact O-N 3.36Å; F157-L160 PolarHBondContact O-N 2.92Å; F157-F161 VanDerWaalsContact O-CB 3.32Å; F157-F161 WeakPolarHBondContact O-CB 3.26Å; F157-F161 PolarHBondContact O-N 3.29Å |
| 158 | Y | 87.8 | Confident | 82.3 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 175.1 | -60.7 | -29.4 | 0 | 0 | 0 | 112.7 | N14 V17 A154 L155 I156 M162 F237 F274 S277 | N14-Y158 WeakPolarHBondContact OD1-CE2 3.47Å; V17-Y158 HydrophobicContact CB-CD2 4.21Å; V17-Y158 HydrophobicContact CB-CE2 4.44Å; V17-Y158 HydrophobicContact CG1-CD1 4.5Å; V17-Y158 HydrophobicContact CG1-CD2 3.63Å; V17-Y158 HydrophobicContact CG1-CE2 4.06Å; V17-Y158 HydrophobicContact CG1-CG 3.9Å; A154-Y158 HydrophobicContact CB-CE2 4.22Å; A154-Y158 VanDerWaalsContact O-CD2 3.31Å; A154-Y158 WeakPolarHBondContact O-CD2 3.24Å; A154-Y158 VanDerWaalsContact O-CG 3.25Å; A154-Y158 PolarHBondContact O-N 3.41Å; L155-Y158 HydrophobicContact CD2-CD2 4.46Å; L155-Y158 PolarHBondContact O-N 3.1Å; I156-Y158 VanDerWaalsContact C-N 3.31Å; I156-Y158 PolarHBondContact O-N 2.91Å; Y158-M162 PolarHBondContact O-N 3.43Å; Y158-F237 WeakPolarHBondContact O-CE2 3.23Å; Y158-F237 VanDerWaalsContact O-CZ 3.32Å; Y158-F237 WeakPolarHBondContact O-CZ 3.33Å; Y158-F274 HydrophobicContact CD1-CD2 4.05Å; Y158-F274 AromaticContact CD1-CE2 3.71Å; Y158-F274 HydrophobicContact CD1-CE2 3.71Å; Y158-F274 HydrophobicContact CD1-CZ 4.47Å; Y158-F274 AromaticContact CE1-CD2 3.91Å; Y158-F274 HydrophobicContact CE1-CD2 3.91Å; Y158-F274 AromaticContact CE1-CE2 3.53Å; Y158-F274 HydrophobicContact CE1-CE2 3.53Å; Y158-F274 AromaticContact CE1-CZ 3.9Å; Y158-F274 HydrophobicContact CE1-CZ 3.9Å; Y158-S277 WeakPolarHBondContact CE1-OG 3.44Å; Y158-S277 PolarHBondContact OH-OG 3.11Å; Y158-S277 VanDerWaalsContact OH-OG 3.08Å |
| 159 | T | 87.8 | Confident | 83.2 | Confident | 75 Ų | 75 | 49.2 Ų | 49.2 | 46% | 0.46 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.7 | -38.6 | 174.5 | 58 | 0 | 0 | 0 | 0 | 112.3 | L155 I156 M162 F163 | L155-T159 PolarHBondContact O-N 2.64Å; L155-T159 PolarHBondContact O-OG1 3Å; I156-T159 PolarHBondContact O-N 3.42Å; I156-T159 PolarHBondContact O-OG1 3.38Å; T159-M162 PolarHBondContact O-N 3.41Å; T159-F163 WeakPolarHBondContact O-CB 3.4Å; T159-F163 PolarHBondContact O-N 2.91Å |
| 160 | L | 87.5 | Confident | 83.8 | Confident | 83 Ų | 83 | 50.2 Ų | 50.2 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 174 | -69.6 | 172.7 | 0 | 0 | 0 | 112.6 | I156 F157 F163 T164 | I156-L160 HydrophobicContact CG2-CD1 3.98Å; I156-L160 HydrophobicContact CG2-CG 4.38Å; I156-L160 VanDerWaalsContact O-CG 3.31Å; I156-L160 WeakPolarHBondContact O-CG 3.42Å; I156-L160 PolarHBondContact O-N 2.91Å; F157-L160 PolarHBondContact O-N 2.92Å; L160-F163 PolarHBondContact O-N 2.98Å; L160-T164 WeakPolarHBondContact O-CB 3.32Å; L160-T164 PolarHBondContact O-N 3.32Å; L160-T164 PolarHBondContact O-OG1 2.94Å |
| 161 | F | 88.4 | Confident | 84.1 | Confident | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 172.6 | 165.5 | -113.8 | 0 | 0 | 0 | 111.8 | V21 L22 F157 T164 M165 V241 V257 L258 I270 | V21-F161 HydrophobicContact CG1-CE1 4.01Å; V21-F161 HydrophobicContact CG2-CE1 3.86Å; L22-F161 HydrophobicContact CD2-CE1 4.25Å; L22-F161 HydrophobicContact CD2-CE2 4.17Å; L22-F161 HydrophobicContact CD2-CZ 3.73Å; F157-F161 VanDerWaalsContact O-CB 3.32Å; F157-F161 WeakPolarHBondContact O-CB 3.26Å; F157-F161 PolarHBondContact O-N 3.29Å; F161-T164 PolarHBondContact O-N 3.41Å; F161-M165 HydrophobicContact CE2-CE 3.49Å; F161-M165 VanDerWaalsContact CE2-CE 3.49Å; F161-M165 HydrophobicContact CE2-CG 4.27Å; F161-M165 HydrophobicContact CZ-CE 3.55Å; F161-M165 HydrophobicContact CZ-CG 4.38Å; F161-M165 PolarHBondContact O-N 3.36Å; F161-V241 HydrophobicContact CE1-CG1 3.91Å; F161-V241 HydrophobicContact CE1-CG2 4.42Å; F161-V241 HydrophobicContact CZ-CG1 4.16Å; F161-V257 HydrophobicContact CE2-CG1 4.33Å; F161-V257 HydrophobicContact CZ-CG1 3.93Å; F161-L258 HydrophobicContact CD2-CD2 3.99Å; F161-L258 HydrophobicContact CE2-CD1 4.45Å; F161-L258 HydrophobicContact CE2-CD2 3.7Å; F161-L258 HydrophobicContact CE2-CG 3.93Å; F161-I270 HydrophobicContact CB-CG2 4.11Å; F161-I270 HydrophobicContact CD2-CG2 3.86Å; F161-I270 HydrophobicContact CG-CG2 4.44Å |
| 162 | M | 90.9 | Very high | 84 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 176.6 | 166.9 | -88.2 | 174.8 | 0 | 0 | 112.4 | Y158 T159 T164 M165 V166 F237 T240 V241 | Y158-M162 PolarHBondContact O-N 3.43Å; T159-M162 PolarHBondContact O-N 3.41Å; M162-T164 VanDerWaalsContact C-N 3.3Å; M162-T164 PolarHBondContact O-N 3.47Å; M162-M165 WeakPolarHBondContact O-CB 3.27Å; M162-M165 PolarHBondContact O-N 3.41Å; M162-V166 HydrophobicContact CE-CG2 4.07Å; M162-V166 WeakPolarHBondContact O-CG2 3.39Å; M162-V166 PolarHBondContact O-N 3.18Å; M162-V166 VanDerWaalsContact O-N 3.1Å; M162-F237 HydrophobicContact CB-CD2 4.07Å; M162-F237 HydrophobicContact CB-CE2 3.36Å; M162-F237 HydrophobicContact CB-CZ 3.93Å; M162-F237 HydrophobicContact CG-CD2 4Å; M162-F237 HydrophobicContact CG-CE2 3.82Å; M162-T240 HydrophobicContact CE-CG2 3.51Å; M162-T240 HydrophobicContact CG-CG2 4.46Å; M162-V241 HydrophobicContact CB-CG2 3.74Å; M162-V241 HydrophobicContact CG-CG2 3.91Å |
| 163 | F | 89.9 | Confident | 83.4 | Confident | 115 Ų | 115 | 56 Ų | 56 | 50% | 0.504 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 174.5 | -177.7 | -114.1 | 0 | 0 | 0 | 111.6 | T159 L160 V166 L167 | T159-F163 WeakPolarHBondContact O-CB 3.4Å; T159-F163 PolarHBondContact O-N 2.91Å; L160-F163 PolarHBondContact O-N 2.98Å; F163-V166 WeakPolarHBondContact O-CB 3.46Å; F163-V166 PolarHBondContact O-N 2.92Å; F163-L167 HydrophobicContact CD1-CD1 3.98Å; F163-L167 HydrophobicContact CD1-CG 4.41Å; F163-L167 HydrophobicContact CE1-CD1 3.47Å; F163-L167 VanDerWaalsContact CE1-CD1 3.47Å; F163-L167 HydrophobicContact CE1-CG 4.09Å; F163-L167 HydrophobicContact CE2-CD2 4.45Å; F163-L167 HydrophobicContact CE2-CG 4.37Å; F163-L167 HydrophobicContact CZ-CD1 3.81Å; F163-L167 HydrophobicContact CZ-CD2 4.19Å; F163-L167 HydrophobicContact CZ-CG 4.07Å; F163-L167 WeakPolarHBondContact O-CG 3.44Å; F163-L167 PolarHBondContact O-N 2.92Å |
| 164 | T | 86.8 | Confident | 83.1 | Confident | 27 Ų | 27 | 52.4 Ų | 52.4 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.4 | -34.5 | 177 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | L160 F161 M162 L167 S168 V266 I270 | L160-T164 WeakPolarHBondContact O-CB 3.32Å; L160-T164 PolarHBondContact O-N 3.32Å; L160-T164 PolarHBondContact O-OG1 2.94Å; F161-T164 PolarHBondContact O-N 3.41Å; M162-T164 VanDerWaalsContact C-N 3.3Å; M162-T164 PolarHBondContact O-N 3.47Å; T164-L167 PolarHBondContact O-N 3.24Å; T164-S168 VanDerWaalsContact O-CB 3.26Å; T164-S168 WeakPolarHBondContact O-CB 3.4Å; T164-S168 PolarHBondContact O-N 3.39Å; T164-V266 HydrophobicContact CG2-CG1 4.48Å; T164-I270 HydrophobicContact CG2-CD1 3.63Å; T164-I270 WeakPolarHBondContact OG1-CD1 3.5Å |
| 165 | M | 87.8 | Confident | 82.3 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 169.9 | -79.7 | -75.2 | -178.3 | 0 | 0 | 112 | F161 M162 S168 S169 V241 V257 F261 | F161-M165 HydrophobicContact CE2-CE 3.49Å; F161-M165 VanDerWaalsContact CE2-CE 3.49Å; F161-M165 HydrophobicContact CE2-CG 4.27Å; F161-M165 HydrophobicContact CZ-CE 3.55Å; F161-M165 HydrophobicContact CZ-CG 4.38Å; F161-M165 PolarHBondContact O-N 3.36Å; M162-M165 WeakPolarHBondContact O-CB 3.27Å; M162-M165 PolarHBondContact O-N 3.41Å; M165-S168 WeakPolarHBondContact O-CB 3.28Å; M165-S168 PolarHBondContact O-N 2.99Å; M165-S169 PolarHBondContact O-N 3.28Å; M165-S169 PolarHBondContact O-OG 3.45Å; M165-S169 VanDerWaalsContact O-OG 3.11Å; M165-V241 HydrophobicContact CE-CG1 4.49Å; M165-V241 HydrophobicContact CG-CG1 4.27Å; M165-V257 HydrophobicContact CE-CB 4.11Å; M165-V257 HydrophobicContact CE-CG1 3.3Å; M165-V257 HydrophobicContact CE-CG2 3.69Å; M165-F261 HydrophobicContact CE-CE2 3.58Å; M165-F261 HydrophobicContact CE-CZ 3.86Å; M165-F261 HydrophobicContact SD-CE2 4.11Å; M165-F261 HydrophobicContact SD-CZ 3.79Å |
| 166 | V | 89.9 | Confident | 81.6 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 177.6 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | M162 F163 S168 S169 F170 T240 F244 | M162-V166 HydrophobicContact CE-CG2 4.07Å; M162-V166 WeakPolarHBondContact O-CG2 3.39Å; M162-V166 PolarHBondContact O-N 3.18Å; M162-V166 VanDerWaalsContact O-N 3.1Å; F163-V166 WeakPolarHBondContact O-CB 3.46Å; F163-V166 PolarHBondContact O-N 2.92Å; V166-S168 VanDerWaalsContact C-N 3.33Å; V166-S168 PolarHBondContact O-N 3.36Å; V166-S169 WeakPolarHBondContact O-CB 3.36Å; V166-S169 PolarHBondContact O-N 2.92Å; V166-F170 HydrophobicContact CG1-CD2 4.01Å; V166-F170 HydrophobicContact CG1-CE2 3.51Å; V166-F170 HydrophobicContact CG1-CZ 4.49Å; V166-F170 WeakPolarHBondContact O-CD2 3.31Å; V166-F170 PolarHBondContact O-N 2.85Å; V166-T240 HydrophobicContact CG2-CG2 4.1Å; V166-F244 HydrophobicContact CB-CD2 4.46Å; V166-F244 HydrophobicContact CG2-CD2 3.59Å; V166-F244 HydrophobicContact CG2-CE2 3.85Å; V166-F244 HydrophobicContact CG2-CG 4.28Å |
| 167 | L | 87.3 | Confident | 80.8 | Confident | 80 Ų | 80 | 59.1 Ų | 59.1 | 42% | 0.419 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 176.4 | -70.4 | -174.2 | 0 | 0 | 0 | 112.7 | F163 T164 S169 F170 K171 | F163-L167 HydrophobicContact CD1-CD1 3.98Å; F163-L167 HydrophobicContact CD1-CG 4.41Å; F163-L167 HydrophobicContact CE1-CD1 3.47Å; F163-L167 VanDerWaalsContact CE1-CD1 3.47Å; F163-L167 HydrophobicContact CE1-CG 4.09Å; F163-L167 HydrophobicContact CE2-CD2 4.45Å; F163-L167 HydrophobicContact CE2-CG 4.37Å; F163-L167 HydrophobicContact CZ-CD1 3.81Å; F163-L167 HydrophobicContact CZ-CD2 4.19Å; F163-L167 HydrophobicContact CZ-CG 4.07Å; F163-L167 WeakPolarHBondContact O-CG 3.44Å; F163-L167 PolarHBondContact O-N 2.92Å; T164-L167 PolarHBondContact O-N 3.24Å; L167-S169 VanDerWaalsContact C-N 3.34Å; L167-S169 PolarHBondContact O-N 3.3Å; L167-F170 PolarHBondContact O-N 3.23Å; L167-K171 WeakPolarHBondContact O-CG 3.41Å; L167-K171 PolarHBondContact O-N 3.18Å |
| 168 | S | 82.4 | Confident | 80.2 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 176 | -169.1 | 0 | 0 | 0 | 0 | 111.2 | T164 M165 V166 F170 K171 H172 | T164-S168 VanDerWaalsContact O-CB 3.26Å; T164-S168 WeakPolarHBondContact O-CB 3.4Å; T164-S168 PolarHBondContact O-N 3.39Å; M165-S168 WeakPolarHBondContact O-CB 3.28Å; M165-S168 PolarHBondContact O-N 2.99Å; V166-S168 VanDerWaalsContact C-N 3.33Å; V166-S168 PolarHBondContact O-N 3.36Å; S168-F170 PolarHBondContact O-N 2.95Å; S168-K171 PolarHBondContact O-N 3.48Å; S168-K171 VanDerWaalsContact O-N 3.13Å; S168-H172 PolarHBondContact O-N 3.2Å; S168-H172 PolarHBondContact O-ND1 3.49Å; S168-H172 PolarHBondContact OG-CE1 3.1Å; S168-H172 PolarHBondContact OG-ND1 3.21Å |
| 169 | S | 83.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 177.9 | -60.5 | 0 | 0 | 0 | 0 | 113.1 | M165 V166 L167 K171 H172 G173 L174 F244 S248 | M165-S169 PolarHBondContact O-N 3.28Å; M165-S169 PolarHBondContact O-OG 3.45Å; M165-S169 VanDerWaalsContact O-OG 3.11Å; V166-S169 WeakPolarHBondContact O-CB 3.36Å; V166-S169 PolarHBondContact O-N 2.92Å; L167-S169 VanDerWaalsContact C-N 3.34Å; L167-S169 PolarHBondContact O-N 3.3Å; S169-K171 VanDerWaalsContact C-N 3.3Å; S169-K171 PolarHBondContact O-N 2.93Å; S169-H172 PolarHBondContact O-N 2.76Å; S169-G173 PolarHBondContact O-N 3.23Å; S169-L174 VanDerWaalsContact O-CB 3.27Å; S169-L174 WeakPolarHBondContact O-CB 3.39Å; S169-L174 PolarHBondContact O-N 3Å; S169-F244 WeakPolarHBondContact OG-CA 3.39Å; S169-F244 WeakPolarHBondContact OG-CB 3.31Å; S169-F244 WeakPolarHBondContact OG-CD1 3.48Å; S169-F244 PolarHBondContact OG-O 3.43Å; S169-S248 WeakPolarHBondContact CA-OG 3.11Å; S169-S248 PolarHBondContact N-OG 3.5Å; S169-S248 PolarHBondContact OG-OG 3.09Å |
| 170 | F | 83 | Confident | 78.6 | Confident | 93 Ų | 93 | 66.8 Ų | 66.8 | 41% | 0.408 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 174.2 | -72.8 | -61.7 | 0 | 0 | 0 | 111.9 | V166 L167 S168 L174 L175 | V166-F170 HydrophobicContact CG1-CD2 4.01Å; V166-F170 HydrophobicContact CG1-CE2 3.51Å; V166-F170 HydrophobicContact CG1-CZ 4.49Å; V166-F170 WeakPolarHBondContact O-CD2 3.31Å; V166-F170 PolarHBondContact O-N 2.85Å; L167-F170 PolarHBondContact O-N 3.23Å; S168-F170 PolarHBondContact O-N 2.95Å; F170-L174 HydrophobicContact CD1-CD2 3.75Å; F170-L174 HydrophobicContact CE1-CD2 3.57Å; F170-L174 HydrophobicContact CZ-CD2 4.25Å; F170-L175 HydrophobicContact CD1-CD1 4.29Å; F170-L175 HydrophobicContact CD1-CD2 4.46Å; F170-L175 HydrophobicContact CD1-CG 4.16Å |
| 171 | K | 77.1 | Confident | 77.6 | Confident | 184 Ų | 184 | 66.7 Ų | 66.7 | 80% | 0.8 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -72.2 | -34.3 | 176.6 | -63.7 | -177.6 | 90.8 | 75.4 | 0 | 113.4 | L167 S168 S169 G173 | L167-K171 WeakPolarHBondContact O-CG 3.41Å; L167-K171 PolarHBondContact O-N 3.18Å; S168-K171 PolarHBondContact O-N 3.48Å; S168-K171 VanDerWaalsContact O-N 3.13Å; S169-K171 VanDerWaalsContact C-N 3.3Å; S169-K171 PolarHBondContact O-N 2.93Å; K171-G173 VanDerWaalsContact C-N 3.26Å; K171-G173 PolarHBondContact O-N 3.21Å |
| 172 | H | 69.8 | Low | 76.6 | Confident | 96 Ų | 96 | 70 Ų | 70 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 15.6 | -179.7 | -68.4 | 87.7 | 0 | 0 | 0 | 114.1 | S168 S169 | S168-H172 PolarHBondContact O-N 3.2Å; S168-H172 PolarHBondContact O-ND1 3.49Å; S168-H172 PolarHBondContact OG-CE1 3.1Å; S168-H172 PolarHBondContact OG-ND1 3.21Å; S169-H172 PolarHBondContact O-N 2.76Å |
| 173 | G | 62.9 | Low | 75.9 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 14% | 0.144 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | 24.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | S169 K171 L175 S176 G177 | S169-G173 PolarHBondContact O-N 3.23Å; K171-G173 VanDerWaalsContact C-N 3.26Å; K171-G173 PolarHBondContact O-N 3.21Å; G173-L175 PolarHBondContact O-N 3.09Å; G173-L175 VanDerWaalsContact O-N 3.16Å; G173-S176 VanDerWaalsContact CA-OG 3.3Å; G173-S176 WeakPolarHBondContact CA-OG 3.39Å; G173-S176 PolarHBondContact O-N 2.67Å; G173-S176 PolarHBondContact O-OG 3.25Å; G173-G177 PolarHBondContact O-N 3.11Å |
| 174 | L | 72.1 | Confident | 75.4 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 17% | 0.173 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -48.9 | -39.9 | 165.9 | -176.5 | 78.2 | 0 | 0 | 0 | 111.4 | S169 F170 W179 F243 F244 V247 | S169-L174 VanDerWaalsContact O-CB 3.27Å; S169-L174 WeakPolarHBondContact O-CB 3.39Å; S169-L174 PolarHBondContact O-N 3Å; F170-L174 HydrophobicContact CD1-CD2 3.75Å; F170-L174 HydrophobicContact CE1-CD2 3.57Å; F170-L174 HydrophobicContact CZ-CD2 4.25Å; L174-W179 HydrophobicContact CD1-CZ2 4.22Å; L174-W179 PolarHBondContact O-NE1 3.35Å; L174-W179 VanDerWaalsContact O-NE1 3.07Å; L174-F243 HydrophobicContact CD1-CE1 4.27Å; L174-F243 HydrophobicContact CD1-CZ 4.41Å; L174-F244 HydrophobicContact CD1-CE1 4.13Å; L174-F244 HydrophobicContact CD2-CD1 4.48Å; L174-F244 HydrophobicContact CD2-CE1 3.7Å; L174-V247 HydrophobicContact CD1-CG1 3.9Å |
| 175 | L | 63.4 | Low | 75.2 | Confident | 144 Ų | 144 | 70.4 Ų | 70.4 | 75% | 0.754 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -78.3 | -20 | 178.9 | -64.3 | 172.6 | 0 | 0 | 0 | 114.7 | F170 G173 | F170-L175 HydrophobicContact CD1-CD1 4.29Å; F170-L175 HydrophobicContact CD1-CD2 4.46Å; F170-L175 HydrophobicContact CD1-CG 4.16Å; G173-L175 PolarHBondContact O-N 3.09Å; G173-L175 VanDerWaalsContact O-N 3.16Å |
| 176 | S | 66.6 | Low | 75.2 | Confident | 86 Ų | 86 | 73.6 Ų | 73.6 | 60% | 0.601 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -89.7 | -5.8 | 179.5 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | G173 W178 | G173-S176 VanDerWaalsContact CA-OG 3.3Å; G173-S176 WeakPolarHBondContact CA-OG 3.39Å; G173-S176 PolarHBondContact O-N 2.67Å; G173-S176 PolarHBondContact O-OG 3.25Å; S176-W178 PolarHBondContact O-N 2.73Å |
| 177 | G | 68.3 | Low | 75.1 | Confident | 31 Ų | 31 | 75.7 Ų | 75.7 | 32% | 0.32 | 40% | 0.4 | S | S | . | . | trans | 69.2 | -3.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G173 W179 L180 | G173-G177 PolarHBondContact O-N 3.11Å; G177-W179 PolarHBondContact O-N 3.43Å; G177-W179 VanDerWaalsContact O-N 3.13Å; G177-L180 WeakPolarHBondContact O-CD1 3.41Å; G177-L180 PolarHBondContact O-N 3.36Å | ||
| 178 | W | 70.1 | Confident | 75 | Confident | 165 Ų | 165 | 80.6 Ų | 80.6 | 63% | 0.625 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -55.7 | -34 | -177.5 | -179 | 66 | 0 | 0 | 0 | 112.9 | S176 L180 G181 | S176-W178 PolarHBondContact O-N 2.73Å; W178-L180 PolarHBondContact O-N 3.06Å; W178-G181 PolarHBondContact O-N 3.35Å |
| 179 | W | 73.3 | Confident | 75 | Confident | 48 Ų | 48 | 87.8 Ų | 87.8 | 18% | 0.182 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -60.3 | -25.7 | 177.5 | 65.7 | -88.7 | 0 | 0 | 0 | 114.5 | I33 L174 G177 G181 Q182 V183 F243 V247 | I33-W179 HydrophobicContact CD1-CZ3 3.99Å; L174-W179 HydrophobicContact CD1-CZ2 4.22Å; L174-W179 PolarHBondContact O-NE1 3.35Å; L174-W179 VanDerWaalsContact O-NE1 3.07Å; G177-W179 PolarHBondContact O-N 3.43Å; G177-W179 VanDerWaalsContact O-N 3.13Å; W179-G181 PolarHBondContact O-N 2.97Å; W179-Q182 PolarHBondContact O-N 2.99Å; W179-Q182 VanDerWaalsContact O-N 3.15Å; W179-V183 HydrophobicContact CB-CG2 4.37Å; W179-V183 HydrophobicContact CE3-CB 4.41Å; W179-V183 HydrophobicContact CE3-CG2 4.31Å; W179-V183 VanDerWaalsContact O-CB 3.31Å; W179-V183 WeakPolarHBondContact O-CB 3.14Å; W179-V183 VanDerWaalsContact O-CG2 3.25Å; W179-V183 WeakPolarHBondContact O-CG2 3.4Å; W179-V183 PolarHBondContact O-N 3.3Å; W179-F243 HydrophobicContact CH2-CE2 4.25Å; W179-F243 HydrophobicContact CH2-CZ 4.07Å; W179-F243 HydrophobicContact CZ3-CE2 4.36Å; W179-V247 HydrophobicContact CB-CG1 3.92Å; W179-V247 HydrophobicContact CD2-CG1 3.96Å; W179-V247 HydrophobicContact CD2-CG2 4.17Å; W179-V247 HydrophobicContact CE3-CG1 4.46Å; W179-V247 HydrophobicContact CE3-CG2 3.87Å; W179-V247 HydrophobicContact CG-CG1 3.72Å; W179-V247 HydrophobicContact CZ3-CG2 4.19Å |
| 180 | L | 70.1 | Confident | 74.9 | Confident | 116 Ų | 116 | 88.1 Ų | 88.1 | 61% | 0.607 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -64.1 | -25.9 | -178.4 | -78.1 | 88.6 | 0 | 0 | 0 | 113 | G177 W178 | G177-L180 WeakPolarHBondContact O-CD1 3.41Å; G177-L180 PolarHBondContact O-N 3.36Å; W178-L180 PolarHBondContact O-N 3.06Å |
| 181 | G | 65 | Low | 75.1 | Confident | 81 Ų | 81 | 84.5 Ų | 84.5 | 84% | 0.835 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -84.1 | -15.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | W178 W179 | W178-G181 PolarHBondContact O-N 3.35Å; W179-G181 PolarHBondContact O-N 2.97Å |
| 182 | Q | 68.8 | Low | 75.5 | Confident | 72 Ų | 72 | 80 Ų | 80 | 34% | 0.336 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 12 | -168.5 | -163 | 155.1 | -16.4 | 0 | 0 | 113.1 | W179 | W179-Q182 PolarHBondContact O-N 2.99Å; W179-Q182 VanDerWaalsContact O-N 3.15Å |
| 183 | V | 75.2 | Confident | 76.2 | Confident | 15 Ų | 15 | 77.9 Ų | 77.9 | 9% | 0.091 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -122.5 | 128.6 | -177.5 | 167.7 | 0 | 0 | 0 | 0 | 110.3 | I33 W179 V185 Y246 T250 | I33-V183 HydrophobicContact CD1-CG1 3.39Å; I33-V183 HydrophobicContact CG1-CG1 3.93Å; W179-V183 HydrophobicContact CB-CG2 4.37Å; W179-V183 HydrophobicContact CE3-CB 4.41Å; W179-V183 HydrophobicContact CE3-CG2 4.31Å; W179-V183 VanDerWaalsContact O-CB 3.31Å; W179-V183 WeakPolarHBondContact O-CB 3.14Å; W179-V183 VanDerWaalsContact O-CG2 3.25Å; W179-V183 WeakPolarHBondContact O-CG2 3.4Å; W179-V183 PolarHBondContact O-N 3.3Å; V183-V185 PolarHBondContact O-N 3.05Å; V183-Y246 HydrophobicContact CG1-CD1 4.13Å; V183-Y246 HydrophobicContact CG1-CE1 3.57Å; V183-T250 HydrophobicContact CG2-CG2 3.97Å |
| 184 | Y | 79.6 | Confident | 77.5 | Confident | 100 Ų | 100 | 77.2 Ų | 77.2 | 39% | 0.392 | 40% | 0.396 | S | S | . | . | trans | -81.8 | 121 | -179.7 | -60.9 | -101.2 | 0 | 0 | 0 | 108.9 | G32 I33 R187 Y246 E251 | G32-Y184 WeakPolarHBondContact CA-O 3.4Å; I33-Y184 PolarHBondContact N-O 3.21Å; Y184-R187 VanDerWaalsContact CD2-NH2 3.25Å; Y184-R187 VanDerWaalsContact CE1-NH2 3.26Å; Y184-Y246 WeakPolarHBondContact CD2-OH 3.39Å; Y184-Y246 PolarHBondContact N-OH 3.39Å; Y184-E251 HydrophobicContact CE2-CG 4.4Å; Y184-E251 WeakPolarHBondContact CE2-OE1 3.49Å; Y184-E251 PolarHBondContact OH-OE1 3.07Å | ||
| 185 | V | 83.1 | Confident | 78.4 | Confident | 86 Ų | 86 | 76.9 Ų | 76.9 | 52% | 0.521 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -72.3 | -37.5 | -178.8 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | G32 I33 V34 V183 | G32-V185 CarbonylContact C-O 3.54Å; I33-V185 PolarHBondContact N-O 3.4Å; V34-V185 HydrophobicContact CB-CG1 4.34Å; V34-V185 HydrophobicContact CG2-CG1 3.56Å; V34-V185 PolarHBondContact N-O 3.43Å; V183-V185 PolarHBondContact O-N 3.05Å |
| 186 | V | 87.4 | Confident | 79.6 | Confident | 68 Ų | 68 | 70.1 Ų | 70.1 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | trans | -145.2 | 127.7 | -178.2 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | V34 L35 W188 | V34-V186 HydrophobicContact CB-CG2 4.4Å; L35-V186 HydrophobicContact CB-CG1 4.41Å; L35-V186 HydrophobicContact CD2-CG1 3.93Å; V186-W188 HydrophobicContact CG1-CZ2 4.36Å | ||
| 187 | R | 86.9 | Confident | 80.8 | Confident | 66 Ų | 66 | 66.1 Ų | 66.1 | 25% | 0.249 | 33% | 0.33 | C | S | . | . | trans | -138.6 | 102.8 | 171.4 | -174.9 | -177.7 | -66.5 | -168.1 | -1.4 | 110.1 | Q30 C31 Y184 E189 | Q30-R187 WeakPolarHBondContact O-CD 3.42Å; C31-R187 PolarHBondContact O-N 2.91Å; Y184-R187 VanDerWaalsContact CD2-NH2 3.25Å; Y184-R187 VanDerWaalsContact CE1-NH2 3.26Å; R187-E189 HydrophobicContact CG-CB 4.45Å; R187-E189 PolarHBondContact O-N 3.21Å | ||
| 188 | W | 86 | Confident | 82 | Confident | 182 Ų | 182 | 64.7 Ų | 64.7 | 69% | 0.689 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -66.9 | -31.5 | -175.9 | -67.8 | 103.5 | 0 | 0 | 0 | 114.3 | L35 V186 G190 V191 | L35-W188 HydrophobicContact CD1-CE3 4.38Å; L35-W188 HydrophobicContact CD1-CH2 4.02Å; L35-W188 HydrophobicContact CD1-CZ3 3.87Å; L35-W188 HydrophobicContact CD2-CD2 3.99Å; L35-W188 HydrophobicContact CD2-CE3 3.85Å; L35-W188 HydrophobicContact CD2-CG 4.48Å; L35-W188 HydrophobicContact CD2-CZ3 4.18Å; V186-W188 HydrophobicContact CG1-CZ2 4.36Å; W188-G190 PolarHBondContact O-N 3.44Å; W188-V191 HydrophobicContact CE3-CG2 4.33Å; W188-V191 VanDerWaalsContact O-CB 3.29Å; W188-V191 WeakPolarHBondContact O-CB 3.36Å; W188-V191 VanDerWaalsContact O-CG2 3.26Å; W188-V191 WeakPolarHBondContact O-CG2 3.37Å; W188-V191 PolarHBondContact O-N 3.05Å |
| 189 | E | 81.8 | Confident | 83 | Confident | 164 Ų | 164 | 57.1 Ų | 57.1 | 77% | 0.766 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -42.8 | -176.7 | -173 | 177.7 | -162.8 | 0 | 0 | 113 | R187 V191 | R187-E189 HydrophobicContact CG-CB 4.45Å; R187-E189 PolarHBondContact O-N 3.21Å; E189-V191 VanDerWaalsContact C-N 3.29Å; E189-V191 PolarHBondContact O-N 3.44Å |
| 190 | G | 82.7 | Confident | 83.8 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 6% | 0.062 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -12.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q30 W188 F192 R193 C194 | Q30-G190 WeakPolarHBondContact O-CA 3.29Å; W188-G190 PolarHBondContact O-N 3.44Å; G190-F192 VanDerWaalsContact C-N 3.29Å; G190-F192 PolarHBondContact O-N 3.17Å; G190-R193 CarbonylContact O-C 3.59Å; G190-R193 WeakPolarHBondContact O-CA 3.48Å; G190-R193 WeakPolarHBondContact O-CB 3.37Å; G190-R193 PolarHBondContact O-N 3.43Å; G190-C194 PolarHBondContact O-N 3.21Å; G190-C194 PolarHBondContact O-SG 3.22Å |
| 191 | V | 87.3 | Confident | 84.8 | Confident | 17 Ų | 17 | 50.2 Ų | 50.2 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53.7 | -45.4 | -176.1 | 175.6 | 0 | 0 | 0 | 0 | 112.1 | C31 L35 W188 E189 R193 C194 I195 | C31-V191 WeakPolarHBondContact SG-CA 3.43Å; L35-V191 HydrophobicContact CD2-CG2 3.29Å; L35-V191 HydrophobicContact CG-CG2 3.87Å; W188-V191 HydrophobicContact CE3-CG2 4.33Å; W188-V191 VanDerWaalsContact O-CB 3.29Å; W188-V191 WeakPolarHBondContact O-CB 3.36Å; W188-V191 VanDerWaalsContact O-CG2 3.26Å; W188-V191 WeakPolarHBondContact O-CG2 3.37Å; W188-V191 PolarHBondContact O-N 3.05Å; E189-V191 VanDerWaalsContact C-N 3.29Å; E189-V191 PolarHBondContact O-N 3.44Å; V191-R193 PolarHBondContact O-N 3Å; V191-C194 PolarHBondContact O-N 3.43Å; V191-I195 HydrophobicContact CG1-CD1 3.55Å; V191-I195 HydrophobicContact CG1-CG1 4Å; V191-I195 WeakPolarHBondContact O-CB 3.44Å; V191-I195 VanDerWaalsContact O-CG1 3.25Å; V191-I195 WeakPolarHBondContact O-CG1 3.42Å; V191-I195 PolarHBondContact O-N 3.17Å |
| 192 | F | 85.9 | Confident | 86.1 | Confident | 91 Ų | 91 | 46.3 Ų | 46.3 | 40% | 0.399 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -70.1 | -18.5 | -177.7 | -52.9 | -60.6 | 0 | 0 | 0 | 113.4 | G190 I195 P196 I386 S387 T390 | G190-F192 VanDerWaalsContact C-N 3.29Å; G190-F192 PolarHBondContact O-N 3.17Å; F192-I195 HydrophobicContact CD1-CD1 4.37Å; F192-P196 VanDerWaalsContact O-CD 3.31Å; F192-P196 WeakPolarHBondContact O-CD 3.29Å; F192-I386 HydrophobicContact CB-CG2 4.03Å; F192-I386 HydrophobicContact CD1-CG2 3.36Å; F192-I386 HydrophobicContact CE1-CG2 3.93Å; F192-I386 HydrophobicContact CG-CG2 3.75Å; F192-S387 PolarHBondContact O-OG 3.44Å; F192-T390 HydrophobicContact CB-CG2 4.1Å; F192-T390 WeakPolarHBondContact CB-OG1 3.38Å |
| 193 | R | 84.2 | Confident | 87.1 | Confident | 50 Ų | 50 | 43.8 Ų | 43.8 | 19% | 0.189 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -87.7 | -37.4 | 169.6 | -170.3 | -179.4 | -172.2 | 80.2 | -5.5 | 112.5 | G190 V191 P196 I197 E340 | G190-R193 CarbonylContact O-C 3.59Å; G190-R193 WeakPolarHBondContact O-CA 3.48Å; G190-R193 WeakPolarHBondContact O-CB 3.37Å; G190-R193 PolarHBondContact O-N 3.43Å; V191-R193 PolarHBondContact O-N 3Å; R193-P196 WeakPolarHBondContact O-CD 3.34Å; R193-P196 WeakPolarHBondContact O-CG 3.39Å; R193-I197 WeakPolarHBondContact O-CD1 3.33Å; R193-I197 WeakPolarHBondContact O-CG1 3.47Å; R193-E340 IonicContact CZ-OE1 3.35Å; R193-E340 IonicContact NE-OE1 2.76Å; R193-E340 PolarHBondContact NE-OE1 3.46Å; R193-E340 IonicContact NH2-OE1 3.19Å; R193-E340 PolarHBondContact NH2-OE1 3.28Å |
| 194 | C | 89.7 | Confident | 87.8 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.7 | -45.2 | 176.2 | -51.7 | 0 | 0 | 0 | 0 | 111.9 | C27 C31 L39 G190 V191 I197 C198 | C27-C194 HydrophobicContact CB-CB 4.39Å; C27-C194 PolarHBondContact O-SG 3.38Å; C31-C194 HydrophobicContact CB-CB 4.38Å; C31-C194 WeakPolarHBondContact CB-SG 3.46Å; C31-C194 WeakPolarHBondContact SG-CB 3.48Å; C31-C194 CovalentContact SG-SG 2.05Å; C31-C194 PolarHBondContact SG-SG 3.12Å; L39-C194 HydrophobicContact CD2-CB 3.36Å; G190-C194 PolarHBondContact O-N 3.21Å; G190-C194 PolarHBondContact O-SG 3.22Å; V191-C194 PolarHBondContact O-N 3.43Å; C194-I197 PolarHBondContact O-N 3.46Å; C194-C198 PolarHBondContact O-N 3.3Å; C194-C198 PolarHBondContact O-SG 3.36Å; C194-C198 VanDerWaalsContact O-SG 3.4Å |
| 195 | I | 90.4 | Very high | 88.3 | Confident | 26 Ų | 26 | 38.4 Ų | 38.4 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -43.9 | -53.8 | -176.1 | -83.2 | 169.9 | 0 | 0 | 0 | 114 | L39 V191 F192 G199 I383 | L39-I195 HydrophobicContact CD1-CG1 3.61Å; L39-I195 HydrophobicContact CD2-CG1 4.26Å; V191-I195 HydrophobicContact CG1-CD1 3.55Å; V191-I195 HydrophobicContact CG1-CG1 4Å; V191-I195 WeakPolarHBondContact O-CB 3.44Å; V191-I195 VanDerWaalsContact O-CG1 3.25Å; V191-I195 WeakPolarHBondContact O-CG1 3.42Å; V191-I195 PolarHBondContact O-N 3.17Å; F192-I195 HydrophobicContact CD1-CD1 4.37Å; I195-G199 PolarHBondContact O-N 3.36Å; I195-I383 HydrophobicContact CG2-CB 4.24Å; I195-I383 HydrophobicContact CG2-CD1 4.24Å; I195-I383 HydrophobicContact CG2-CG1 3.77Å; I195-I383 HydrophobicContact CG2-CG2 3.7Å |
| 196 | P | 89.7 | Confident | 88.3 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.9 | -33.8 | -177 | 27.7 | -34.8 | 0 | 0 | 0 | 111.9 | F192 R193 M200 A348 S387 | F192-P196 VanDerWaalsContact O-CD 3.31Å; F192-P196 WeakPolarHBondContact O-CD 3.29Å; R193-P196 WeakPolarHBondContact O-CD 3.34Å; R193-P196 WeakPolarHBondContact O-CG 3.39Å; P196-M200 WeakPolarHBondContact O-CB 3.49Å; P196-M200 PolarHBondContact O-N 2.89Å; P196-A348 HydrophobicContact CB-CB 3.95Å; P196-S387 WeakPolarHBondContact CD-OG 3.2Å |
| 197 | I | 91.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.8 | -46.8 | 177 | -56.9 | 172.1 | 0 | 0 | 0 | 109.9 | T23 F26 R193 C194 M200 A201 E340 L343 | T23-I197 WeakPolarHBondContact OG1-CG2 3.45Å; F26-I197 HydrophobicContact CE1-CD1 4.4Å; R193-I197 WeakPolarHBondContact O-CD1 3.33Å; R193-I197 WeakPolarHBondContact O-CG1 3.47Å; C194-I197 PolarHBondContact O-N 3.46Å; I197-M200 PolarHBondContact O-N 3.37Å; I197-A201 VanDerWaalsContact O-CB 3.28Å; I197-A201 WeakPolarHBondContact O-CB 3.29Å; I197-A201 PolarHBondContact O-N 3.5Å; I197-E340 HydrophobicContact CD1-CB 4.47Å; I197-L343 HydrophobicContact CG2-CB 4.35Å |
| 198 | C | 92.7 | Very high | 88.2 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 176.4 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | L39 L40 C43 C194 A201 F202 | L39-C198 HydrophobicContact CD2-CB 4.19Å; L39-C198 HydrophobicContact CG-CB 4.12Å; L40-C198 HydrophobicContact CD2-CB 4.22Å; C43-C198 HydrophobicContact CB-CB 4.48Å; C194-C198 PolarHBondContact O-N 3.3Å; C194-C198 PolarHBondContact O-SG 3.36Å; C194-C198 VanDerWaalsContact O-SG 3.4Å; C198-A201 PolarHBondContact O-N 3.09Å; C198-F202 WeakPolarHBondContact O-CD2 3.45Å; C198-F202 PolarHBondContact O-N 2.68Å |
| 199 | G | 90.8 | Very high | 88.2 | Confident | 5 Ų | 5 | 22.3 Ų | 22.3 | 5% | 0.052 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64 | -45.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I195 A201 F202 A203 | I195-G199 PolarHBondContact O-N 3.36Å; G199-A201 VanDerWaalsContact C-N 3.31Å; G199-A201 PolarHBondContact O-N 3.15Å; G199-F202 CarbonylContact O-C 3.58Å; G199-F202 PolarHBondContact O-N 3.32Å; G199-A203 PolarHBondContact O-N 2.98Å |
| 200 | M | 89.8 | Confident | 88.3 | Confident | 17 Ų | 17 | 17.7 Ų | 17.7 | 8% | 0.084 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.6 | -39.1 | 173.1 | -175.3 | 67.9 | -162.5 | 0 | 0 | 112 | L89 T93 P196 I197 F202 A203 L343 T346 | L89-M200 HydrophobicContact CD1-CE 3.65Å; L89-M200 HydrophobicContact CD1-SD 3.47Å; L89-M200 WeakPolarHBondContact CD1-SD 3.4Å; L89-M200 HydrophobicContact CG-CE 4.09Å; T93-M200 WeakPolarHBondContact OG1-CE 3.49Å; P196-M200 WeakPolarHBondContact O-CB 3.49Å; P196-M200 PolarHBondContact O-N 2.89Å; I197-M200 PolarHBondContact O-N 3.37Å; M200-F202 PolarHBondContact O-N 3Å; M200-A203 WeakPolarHBondContact O-CB 3.49Å; M200-A203 PolarHBondContact O-N 3.49Å; M200-L343 HydrophobicContact CG-CD2 4.17Å; M200-T346 HydrophobicContact CE-CG2 3.92Å; M200-T346 HydrophobicContact SD-CG2 3.92Å |
| 201 | A | 92.6 | Very high | 88.4 | Confident | 2 Ų | 2 | 17.7 Ų | 17.7 | 2% | 0.017 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.4 | -16.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | I16 S20 M24 I197 C198 G199 Y238 | I16-A201 WeakPolarHBondContact CG2-O 3.5Å; S20-A201 VanDerWaalsContact OG-CB 3.28Å; S20-A201 WeakPolarHBondContact OG-CB 3.46Å; M24-A201 HydrophobicContact CE-CB 3.21Å; I197-A201 VanDerWaalsContact O-CB 3.28Å; I197-A201 WeakPolarHBondContact O-CB 3.29Å; I197-A201 PolarHBondContact O-N 3.5Å; C198-A201 PolarHBondContact O-N 3.09Å; G199-A201 VanDerWaalsContact C-N 3.31Å; G199-A201 PolarHBondContact O-N 3.15Å; A201-Y238 HydrophobicContact CB-CE2 3.88Å; A201-Y238 VanDerWaalsContact O-CE2 3.28Å; A201-Y238 WeakPolarHBondContact O-CE2 3.2Å; A201-Y238 PolarHBondContact O-OH 3.37Å |
| 202 | F | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 23.9 | 170.6 | -71.9 | -74.1 | 0 | 0 | 0 | 112.2 | I16 L40 C43 T47 C198 G199 M200 C204 L231 V234 T235 Y238 | I16-F202 HydrophobicContact CG2-CD1 4.3Å; L40-F202 HydrophobicContact CB-CE2 4.33Å; L40-F202 HydrophobicContact CD2-CE2 3.79Å; L40-F202 HydrophobicContact CD2-CZ 4.45Å; L40-F202 WeakPolarHBondContact O-CE2 3.38Å; C43-F202 HydrophobicContact CB-CD2 3.66Å; C43-F202 HydrophobicContact CB-CE2 4.09Å; T47-F202 HydrophobicContact CG2-CB 4.38Å; T47-F202 WeakPolarHBondContact CG2-O 3.49Å; T47-F202 PolarHBondContact OG1-O 2.92Å; C198-F202 WeakPolarHBondContact O-CD2 3.45Å; C198-F202 PolarHBondContact O-N 2.68Å; G199-F202 CarbonylContact O-C 3.58Å; G199-F202 PolarHBondContact O-N 3.32Å; M200-F202 PolarHBondContact O-N 3Å; F202-C204 PolarHBondContact O-N 3.46Å; F202-L231 HydrophobicContact CD1-CD2 3.89Å; F202-L231 HydrophobicContact CE1-CD2 4.47Å; F202-V234 HydrophobicContact CD1-CG1 4.19Å; F202-V234 HydrophobicContact CE1-CB 4.27Å; F202-V234 HydrophobicContact CE1-CG1 3.74Å; F202-T235 WeakPolarHBondContact CE1-OG1 3.39Å; F202-T235 HydrophobicContact CZ-CG2 4.41Å; F202-T235 WeakPolarHBondContact CZ-OG1 3.42Å; F202-Y238 HydrophobicContact CD1-CE2 4.28Å; F202-Y238 HydrophobicContact CE1-CD2 4.01Å; F202-Y238 HydrophobicContact CE1-CE2 4.07Å; F202-Y238 HydrophobicContact CE2-CD2 4.02Å; F202-Y238 HydrophobicContact CE2-CE2 4.34Å; F202-Y238 AromaticContact CZ-CD2 3.68Å; F202-Y238 HydrophobicContact CZ-CD2 3.68Å; F202-Y238 HydrophobicContact CZ-CE2 4.11Å |
| 203 | A | 89.4 | Confident | 88.1 | Confident | 18 Ų | 18 | 16.5 Ų | 16.5 | 15% | 0.149 | 9% | 0.091 | C | C | . | . | trans | -79.6 | 113.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L89 G199 M200 | L89-A203 HydrophobicContact CD1-CB 4.45Å; G199-A203 PolarHBondContact O-N 2.98Å; M200-A203 WeakPolarHBondContact O-CB 3.49Å; M200-A203 PolarHBondContact O-N 3.49Å | ||
| 204 | C | 90.1 | Very high | 88 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | trans | -138.3 | 7.1 | 174.4 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | I16 C51 F202 S206 Q207 V208 | I16-C204 HydrophobicContact CD1-CB 4.18Å; I16-C204 HydrophobicContact CG1-CB 3.71Å; C51-C204 VanDerWaalsContact SG-SG 3.7Å; F202-C204 PolarHBondContact O-N 3.46Å; C204-S206 PolarHBondContact O-N 3.01Å; C204-S206 VanDerWaalsContact O-N 3.13Å; C204-Q207 PolarHBondContact O-N 2.92Å; C204-V208 PolarHBondContact O-N 3.27Å | ||
| 205 | Q | 89.3 | Confident | 87.6 | Confident | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -24.4 | -170.2 | -69.7 | 77.3 | 2.2 | 0 | 0 | 113.3 | L54 Y66 C355 | L54-Q205 HydrophobicContact CD1-CB 3.92Å; L54-Q205 HydrophobicContact CD1-CG 4.09Å; Y66-Q205 HydrophobicContact CE1-CB 3.99Å; Q205-C355 PolarHBondContact NE2-O 3.26Å; Q205-C355 PolarHBondContact OE1-SG 3.49Å; Q205-C355 VanDerWaalsContact OE1-SG 3.33Å |
| 206 | S | 83.7 | Confident | 86.7 | Confident | 17 Ų | 17 | 23.2 Ų | 23.2 | 12% | 0.119 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -34.7 | 170.3 | 45.8 | 0 | 0 | 0 | 0 | 113.5 | M90 C204 P210 | M90-S206 WeakPolarHBondContact CE-OG 3.33Å; C204-S206 PolarHBondContact O-N 3.01Å; C204-S206 VanDerWaalsContact O-N 3.13Å; S206-P210 WeakPolarHBondContact O-CD 3.28Å |
| 207 | Q | 84.3 | Confident | 86.1 | Confident | 44 Ų | 44 | 28.5 Ų | 28.5 | 21% | 0.206 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -17.8 | -178.4 | -98 | 61.9 | 16.1 | 0 | 0 | 112.1 | C204 L209 P210 T211 | C204-Q207 PolarHBondContact O-N 2.92Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 3.47Å; Q207-P210 WeakPolarHBondContact O-CD 3.22Å; Q207-T211 WeakPolarHBondContact O-CB 3.28Å; Q207-T211 PolarHBondContact O-N 2.99Å; Q207-T211 PolarHBondContact O-OG1 2.99Å |
| 208 | V | 88.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -51.4 | -46.7 | -176 | 169.7 | 0 | 0 | 0 | 0 | 113.7 | C51 L54 V55 C204 Y212 M223 F227 | C51-V208 HydrophobicContact CB-CG1 4.47Å; C51-V208 HydrophobicContact CB-CG2 3.75Å; C51-V208 WeakPolarHBondContact SG-CG2 3.31Å; L54-V208 HydrophobicContact CB-CG1 4.11Å; L54-V208 HydrophobicContact CD1-CB 4.5Å; V55-V208 HydrophobicContact CG2-CG1 3.64Å; C204-V208 PolarHBondContact O-N 3.27Å; V208-Y212 WeakPolarHBondContact O-CB 3.23Å; V208-Y212 PolarHBondContact O-N 2.83Å; V208-Y212 VanDerWaalsContact O-N 3.11Å; V208-M223 VanDerWaalsContact O-CE 3.26Å; V208-M223 WeakPolarHBondContact O-CE 3.36Å; V208-F227 HydrophobicContact CB-CE2 4.47Å; V208-F227 HydrophobicContact CB-CZ 4.09Å; V208-F227 HydrophobicContact CG1-CE2 4.04Å; V208-F227 HydrophobicContact CG1-CZ 4.17Å; V208-F227 HydrophobicContact CG2-CE1 4.14Å; V208-F227 HydrophobicContact CG2-CE2 4.15Å; V208-F227 HydrophobicContact CG2-CZ 3.62Å |
| 209 | L | 86.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -83.6 | -42.8 | -174.9 | -56.6 | 173.7 | 0 | 0 | 0 | 113 | L54 A58 R64 L69 Q207 T211 Y212 D213 | L54-L209 HydrophobicContact CB-CD2 4.45Å; A58-L209 HydrophobicContact CB-CD2 3.64Å; R64-L209 VanDerWaalsContact O-CB 3.23Å; R64-L209 WeakPolarHBondContact O-CB 3.44Å; L69-L209 HydrophobicContact CD1-CD1 3.77Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 3.47Å; L209-T211 VanDerWaalsContact C-N 3.27Å; L209-T211 PolarHBondContact O-N 3.15Å; L209-Y212 CarbonylContact O-C 3.53Å; L209-Y212 WeakPolarHBondContact O-CA 3.33Å; L209-Y212 WeakPolarHBondContact O-CB 3.47Å; L209-Y212 PolarHBondContact O-N 3.27Å; L209-D213 PolarHBondContact O-N 3.23Å |
| 210 | P | 83.2 | Confident | 84.6 | Confident | 67 Ų | 67 | 34.4 Ų | 34.4 | 44% | 0.435 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -54.3 | -40.4 | 168 | -28.9 | 35.9 | 0 | 0 | 0 | 113.7 | S206 Q207 Y212 D213 S214 | S206-P210 WeakPolarHBondContact O-CD 3.28Å; Q207-P210 WeakPolarHBondContact O-CD 3.22Å; P210-Y212 VanDerWaalsContact C-N 3.34Å; P210-D213 PolarHBondContact O-N 3.39Å; P210-S214 WeakPolarHBondContact O-CB 3.46Å; P210-S214 PolarHBondContact O-N 2.97Å; P210-S214 VanDerWaalsContact O-N 3.08Å; P210-S214 PolarHBondContact O-OG 3.32Å |
| 211 | T | 84.2 | Confident | 84.5 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.8 | -35.5 | 173.7 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | L8 V12 Q207 L209 S214 L215 M223 | L8-T211 HydrophobicContact CB-CG2 4.41Å; L8-T211 HydrophobicContact CD2-CG2 4.33Å; V12-T211 HydrophobicContact CG2-CG2 3.98Å; Q207-T211 WeakPolarHBondContact O-CB 3.28Å; Q207-T211 PolarHBondContact O-N 2.99Å; Q207-T211 PolarHBondContact O-OG1 2.99Å; L209-T211 VanDerWaalsContact C-N 3.27Å; L209-T211 PolarHBondContact O-N 3.15Å; T211-S214 PolarHBondContact O-N 3.09Å; T211-L215 WeakPolarHBondContact O-CD1 3.46Å; T211-M223 HydrophobicContact CG2-CE 3.61Å |
| 212 | Y | 85.4 | Confident | 84.2 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71 | -28 | 176.9 | -175.1 | -105.1 | 0 | 0 | 0 | 113.4 | V55 R64 V208 L209 P210 L215 P218 M223 | V55-Y212 HydrophobicContact CG1-CD2 3.89Å; V55-Y212 HydrophobicContact CG1-CE2 3.73Å; R64-Y212 VanDerWaalsContact NH1-CD1 3.34Å; R64-Y212 PolarHBondContact NH1-O 3.39Å; V208-Y212 WeakPolarHBondContact O-CB 3.23Å; V208-Y212 PolarHBondContact O-N 2.83Å; V208-Y212 VanDerWaalsContact O-N 3.11Å; L209-Y212 CarbonylContact O-C 3.53Å; L209-Y212 WeakPolarHBondContact O-CA 3.33Å; L209-Y212 WeakPolarHBondContact O-CB 3.47Å; L209-Y212 PolarHBondContact O-N 3.27Å; P210-Y212 VanDerWaalsContact C-N 3.34Å; Y212-L215 HydrophobicContact CD2-CD1 4.44Å; Y212-P218 HydrophobicContact CE1-CB 4.1Å; Y212-P218 HydrophobicContact CE2-CB 4.41Å; Y212-P218 PolarHBondContact OH-O 3.48Å; Y212-M223 HydrophobicContact CD2-CB 4.04Å; Y212-M223 HydrophobicContact CD2-CG 3.81Å; Y212-M223 HydrophobicContact CD2-SD 3.91Å; Y212-M223 HydrophobicContact CE2-CB 4.35Å |
| 213 | D | 82.7 | Confident | 84 | Confident | 76 Ų | 76 | 44.4 Ų | 44.4 | 41% | 0.406 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -76.6 | -27.7 | 172.2 | -66.8 | -12.9 | 0 | 0 | 0 | 112 | R64 L209 P210 L215 | R64-D213 WeakPolarHBondContact CB-OD1 3.42Å; R64-D213 WeakPolarHBondContact CB-OD2 3.31Å; R64-D213 WeakPolarHBondContact CD-OD1 3.37Å; R64-D213 VanDerWaalsContact CG-OD1 3.23Å; R64-D213 WeakPolarHBondContact CG-OD1 3.21Å; R64-D213 IonicContact CZ-OD1 2.64Å; R64-D213 IonicContact NE-OD1 2.71Å; R64-D213 IonicContact NH1-OD1 2.68Å; R64-D213 PolarHBondContact NH1-OD1 2.97Å; L209-D213 PolarHBondContact O-N 3.23Å; P210-D213 PolarHBondContact O-N 3.39Å; D213-L215 VanDerWaalsContact C-N 3.27Å; D213-L215 PolarHBondContact O-N 3.01Å |
| 214 | S | 81.1 | Confident | 84 | Confident | 75 Ų | 75 | 45 Ų | 45 | 52% | 0.524 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 12.1 | -179.8 | -54.1 | 0 | 0 | 0 | 0 | 114.3 | P210 T211 | P210-S214 WeakPolarHBondContact O-CB 3.46Å; P210-S214 PolarHBondContact O-N 2.97Å; P210-S214 VanDerWaalsContact O-N 3.08Å; P210-S214 PolarHBondContact O-OG 3.32Å; T211-S214 PolarHBondContact O-N 3.09Å |
| 215 | L | 81 | Confident | 84 | Confident | 14 Ų | 14 | 50.6 Ų | 50.6 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | trans | -93.9 | 130.3 | 171.1 | -76.5 | 110.2 | 0 | 0 | 0 | 111.6 | L8 T211 Y212 D213 E217 R222 M223 I226 | L8-L215 HydrophobicContact CD1-CD1 4.49Å; L8-L215 HydrophobicContact CD1-CD2 4.33Å; L8-L215 HydrophobicContact CD1-CG 3.86Å; T211-L215 WeakPolarHBondContact O-CD1 3.46Å; Y212-L215 HydrophobicContact CD2-CD1 4.44Å; D213-L215 VanDerWaalsContact C-N 3.27Å; D213-L215 PolarHBondContact O-N 3.01Å; L215-E217 PolarHBondContact O-N 3.39Å; L215-R222 HydrophobicContact CD2-CB 4.23Å; L215-R222 HydrophobicContact CD2-CG 3.69Å; L215-M223 HydrophobicContact CD1-SD 3.46Å; L215-M223 WeakPolarHBondContact CD1-SD 3.32Å; L215-I226 HydrophobicContact CD2-CD1 3.85Å | ||
| 216 | D | 71.8 | Confident | 84.1 | Confident | 130 Ų | 130 | 50.6 Ų | 50.6 | 70% | 0.695 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -45.2 | -38.1 | 168.5 | -46 | -52.3 | 0 | 0 | 0 | 112.5 | S4 | S4-D216 PolarHBondContact OG-OD2 3.36Å; S4-D216 VanDerWaalsContact OG-OD2 3.08Å |
| 217 | E | 77.2 | Confident | 84.4 | Confident | 113 Ų | 113 | 49.9 Ų | 49.9 | 53% | 0.528 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -130.8 | 107 | 173 | -57.1 | 171 | 110.6 | 0 | 0 | 109.7 | L215 S219 R222 | L215-E217 PolarHBondContact O-N 3.39Å; E217-S219 PolarHBondContact O-N 2.9Å; E217-R222 IonicContact OE2-CZ 3.54Å; E217-R222 IonicContact OE2-NH1 2.74Å; E217-R222 PolarHBondContact OE2-NH1 2.93Å; E217-R222 IonicContact OE2-NH2 3.48Å; E217-R222 PolarHBondContact OE2-NH2 3.28Å |
| 218 | P | 74.7 | Confident | 84.8 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | trans | -71.4 | 91.7 | -177.3 | 27.7 | -34.7 | 0 | 0 | 0 | 111.1 | Y212 | Y212-P218 HydrophobicContact CE1-CB 4.1Å; Y212-P218 HydrophobicContact CE2-CB 4.41Å; Y212-P218 PolarHBondContact OH-O 3.48Å | ||
| 219 | S | 83.7 | Confident | 85 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 31% | 0.308 | 29% | 0.285 | S | S | . | . | trans | -123.2 | 121.7 | -174.4 | 175.9 | 0 | 0 | 0 | 0 | 112 | E217 K221 R222 M223 | E217-S219 PolarHBondContact O-N 2.9Å; S219-K221 PolarHBondContact O-N 3.26Å; S219-R222 PolarHBondContact O-N 2.78Å; S219-R222 VanDerWaalsContact O-N 3.1Å; S219-M223 PolarHBondContact O-N 3.14Å | ||
| 220 | V | 86.1 | Confident | 85.3 | Confident | 27 Ų | 27 | 52 Ų | 52 | 16% | 0.164 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.7 | -36.4 | 178 | -176.4 | 0 | 0 | 0 | 0 | 112 | V55 H56 S224 | V55-V220 HydrophobicContact CG1-CB 4.24Å; V55-V220 HydrophobicContact CG1-CG1 3.98Å; V55-V220 HydrophobicContact CG1-CG2 4.06Å; H56-V220 WeakPolarHBondContact CE1-CG1 3.17Å; V220-S224 WeakPolarHBondContact O-CB 3.23Å; V220-S224 PolarHBondContact O-N 2.86Å |
| 221 | K | 86.3 | Confident | 85.9 | Confident | 152 Ų | 152 | 48.9 Ų | 48.9 | 66% | 0.661 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.5 | -47.9 | 176.3 | -69.4 | -170.7 | 177.8 | -172.9 | 0 | 111.6 | S219 M223 S224 I225 | S219-K221 PolarHBondContact O-N 3.26Å; K221-M223 VanDerWaalsContact C-N 3.32Å; K221-M223 PolarHBondContact O-N 3.07Å; K221-S224 PolarHBondContact O-N 3.45Å; K221-I225 WeakPolarHBondContact O-CG1 3.35Å; K221-I225 PolarHBondContact O-N 2.88Å; K221-I225 VanDerWaalsContact O-N 3.15Å |
| 222 | R | 86.6 | Confident | 86.4 | Confident | 77 Ų | 77 | 52.8 Ų | 52.8 | 29% | 0.291 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63 | -41 | 178 | -169.9 | 174.5 | -72 | 164.1 | 7.7 | 110.9 | N5 L215 E217 S219 S224 I225 I226 | N5-R222 WeakPolarHBondContact OD1-CD 3.4Å; L215-R222 HydrophobicContact CD2-CB 4.23Å; L215-R222 HydrophobicContact CD2-CG 3.69Å; E217-R222 IonicContact OE2-CZ 3.54Å; E217-R222 IonicContact OE2-NH1 2.74Å; E217-R222 PolarHBondContact OE2-NH1 2.93Å; E217-R222 IonicContact OE2-NH2 3.48Å; E217-R222 PolarHBondContact OE2-NH2 3.28Å; S219-R222 PolarHBondContact O-N 2.78Å; S219-R222 VanDerWaalsContact O-N 3.1Å; R222-S224 PolarHBondContact O-N 3.5Å; R222-I225 PolarHBondContact O-N 3.46Å; R222-I226 HydrophobicContact CG-CD1 4.27Å; R222-I226 WeakPolarHBondContact O-CG1 3.45Å; R222-I226 PolarHBondContact O-N 3.41Å |
| 223 | M | 88.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 176.1 | -156.4 | 67 | -178 | 0 | 0 | 113.2 | V55 V208 T211 Y212 L215 S219 K221 I225 I226 F227 | V55-M223 HydrophobicContact CG1-CB 4.1Å; V55-M223 HydrophobicContact CG1-CG 4.13Å; V55-M223 HydrophobicContact CG2-CG 3.75Å; V208-M223 VanDerWaalsContact O-CE 3.26Å; V208-M223 WeakPolarHBondContact O-CE 3.36Å; T211-M223 HydrophobicContact CG2-CE 3.61Å; Y212-M223 HydrophobicContact CD2-CB 4.04Å; Y212-M223 HydrophobicContact CD2-CG 3.81Å; Y212-M223 HydrophobicContact CD2-SD 3.91Å; Y212-M223 HydrophobicContact CE2-CB 4.35Å; L215-M223 HydrophobicContact CD1-SD 3.46Å; L215-M223 WeakPolarHBondContact CD1-SD 3.32Å; S219-M223 PolarHBondContact O-N 3.14Å; K221-M223 VanDerWaalsContact C-N 3.32Å; K221-M223 PolarHBondContact O-N 3.07Å; M223-I225 VanDerWaalsContact C-N 3.34Å; M223-I226 PolarHBondContact O-N 3.06Å; M223-F227 HydrophobicContact CE-CD2 4.24Å; M223-F227 HydrophobicContact CE-CE2 3.26Å; M223-F227 HydrophobicContact CE-CZ 3.56Å; M223-F227 HydrophobicContact CG-CD2 3.97Å; M223-F227 HydrophobicContact CG-CE2 3.74Å; M223-F227 WeakPolarHBondContact O-CD2 3.22Å; M223-F227 PolarHBondContact O-N 2.65Å; M223-F227 HydrophobicContact SD-CE2 4.19Å |
| 224 | S | 90.1 | Very high | 87.3 | Confident | 31 Ų | 31 | 51.9 Ų | 51.9 | 22% | 0.217 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 174.3 | -170.1 | 0 | 0 | 0 | 0 | 111.9 | H48 M52 V220 K221 R222 T228 | H48-S224 PolarHBondContact NE2-O 2.73Å; H48-S224 PolarHBondContact NE2-OG 3Å; M52-S224 VanDerWaalsContact SD-CB 3.55Å; V220-S224 WeakPolarHBondContact O-CB 3.23Å; V220-S224 PolarHBondContact O-N 2.86Å; K221-S224 PolarHBondContact O-N 3.45Å; R222-S224 PolarHBondContact O-N 3.5Å; S224-T228 VanDerWaalsContact O-CB 3.29Å; S224-T228 WeakPolarHBondContact O-CB 3.2Å; S224-T228 PolarHBondContact O-N 3.4Å; S224-T228 PolarHBondContact O-OG1 3.23Å |
| 225 | I | 90.6 | Very high | 88 | Confident | 118 Ų | 118 | 48.4 Ų | 48.4 | 61% | 0.605 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.5 | -46.2 | 176.3 | -65.5 | 165.1 | 0 | 0 | 0 | 110.8 | K221 R222 M223 F227 T228 S229 | K221-I225 WeakPolarHBondContact O-CG1 3.35Å; K221-I225 PolarHBondContact O-N 2.88Å; K221-I225 VanDerWaalsContact O-N 3.15Å; R222-I225 PolarHBondContact O-N 3.46Å; M223-I225 VanDerWaalsContact C-N 3.34Å; I225-F227 PolarHBondContact O-N 2.75Å; I225-T228 PolarHBondContact O-N 2.96Å; I225-S229 VanDerWaalsContact O-CB 3.32Å; I225-S229 WeakPolarHBondContact O-CB 3.32Å; I225-S229 PolarHBondContact O-N 3.15Å |
| 226 | I | 90.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.9 | -49.4 | 177.1 | -70.5 | 167.6 | 0 | 0 | 0 | 110.9 | L8 I9 L215 R222 M223 S229 A230 | L8-I226 HydrophobicContact CB-CD1 4.35Å; L8-I226 HydrophobicContact CD1-CD1 4.04Å; I9-I226 HydrophobicContact CG1-CB 4.29Å; I9-I226 HydrophobicContact CG1-CG1 4.24Å; I9-I226 HydrophobicContact CG1-CG2 3.96Å; L215-I226 HydrophobicContact CD2-CD1 3.85Å; R222-I226 HydrophobicContact CG-CD1 4.27Å; R222-I226 WeakPolarHBondContact O-CG1 3.45Å; R222-I226 PolarHBondContact O-N 3.41Å; M223-I226 PolarHBondContact O-N 3.06Å; I226-S229 PolarHBondContact O-N 3.48Å; I226-A230 WeakPolarHBondContact O-CB 3.23Å; I226-A230 PolarHBondContact O-N 3.28Å |
| 227 | F | 91.2 | Very high | 89.8 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 178 | -80.1 | -57.7 | 0 | 0 | 0 | 113.6 | V12 C51 M52 V55 V208 M223 I225 S229 A230 L231 | V12-F227 HydrophobicContact CG1-CD1 4Å; V12-F227 HydrophobicContact CG1-CE1 3.78Å; V12-F227 HydrophobicContact CG2-CE1 4.15Å; C51-F227 HydrophobicContact CB-CD2 4.23Å; C51-F227 HydrophobicContact CB-CE2 4.3Å; C51-F227 HydrophobicContact CB-CG 4.42Å; M52-F227 HydrophobicContact CE-CD2 3.68Å; M52-F227 HydrophobicContact CE-CE2 4.48Å; V55-F227 HydrophobicContact CG2-CE2 4.41Å; V208-F227 HydrophobicContact CB-CE2 4.47Å; V208-F227 HydrophobicContact CB-CZ 4.09Å; V208-F227 HydrophobicContact CG1-CE2 4.04Å; V208-F227 HydrophobicContact CG1-CZ 4.17Å; V208-F227 HydrophobicContact CG2-CE1 4.14Å; V208-F227 HydrophobicContact CG2-CE2 4.15Å; V208-F227 HydrophobicContact CG2-CZ 3.62Å; M223-F227 HydrophobicContact CE-CD2 4.24Å; M223-F227 HydrophobicContact CE-CE2 3.26Å; M223-F227 HydrophobicContact CE-CZ 3.56Å; M223-F227 HydrophobicContact CG-CD2 3.97Å; M223-F227 HydrophobicContact CG-CE2 3.74Å; M223-F227 WeakPolarHBondContact O-CD2 3.22Å; M223-F227 PolarHBondContact O-N 2.65Å; M223-F227 HydrophobicContact SD-CE2 4.19Å; I225-F227 PolarHBondContact O-N 2.75Å; F227-S229 VanDerWaalsContact C-N 3.3Å; F227-S229 PolarHBondContact O-N 2.7Å; F227-A230 PolarHBondContact O-N 2.98Å; F227-L231 HydrophobicContact CB-CD1 4.42Å; F227-L231 WeakPolarHBondContact O-CB 3.47Å; F227-L231 VanDerWaalsContact O-CG 3.23Å; F227-L231 WeakPolarHBondContact O-CG 3.42Å; F227-L231 PolarHBondContact O-N 2.87Å |
| 228 | T | 92.1 | Very high | 90.7 | Very high | 49 Ų | 49 | 42.8 Ų | 42.8 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 177.9 | -53.1 | 0 | 0 | 0 | 0 | 110.1 | H48 S224 I225 N232 | H48-T228 PolarHBondContact NE2-OG1 3.03Å; S224-T228 VanDerWaalsContact O-CB 3.29Å; S224-T228 WeakPolarHBondContact O-CB 3.2Å; S224-T228 PolarHBondContact O-N 3.4Å; S224-T228 PolarHBondContact O-OG1 3.23Å; I225-T228 PolarHBondContact O-N 2.96Å; T228-N232 WeakPolarHBondContact O-CB 3.46Å; T228-N232 PolarHBondContact O-N 2.95Å; T228-N232 PolarHBondContact O-ND2 3.39Å; T228-N232 PolarHBondContact O-OD1 3.06Å |
| 229 | S | 92.2 | Very high | 91.7 | Very high | 41 Ų | 41 | 41.3 Ų | 41.3 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.7 | -52 | 175.9 | -174.1 | 0 | 0 | 0 | 0 | 112 | I225 I226 F227 N232 V233 | I225-S229 VanDerWaalsContact O-CB 3.32Å; I225-S229 WeakPolarHBondContact O-CB 3.32Å; I225-S229 PolarHBondContact O-N 3.15Å; I226-S229 PolarHBondContact O-N 3.48Å; F227-S229 VanDerWaalsContact C-N 3.3Å; F227-S229 PolarHBondContact O-N 2.7Å; S229-N232 PolarHBondContact O-N 2.92Å; S229-V233 WeakPolarHBondContact O-CG2 3.37Å; S229-V233 PolarHBondContact O-N 3.01Å |
| 230 | A | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I9 V12 V13 I226 F227 V233 V234 | I9-A230 HydrophobicContact CG2-CB 4.24Å; V12-A230 HydrophobicContact CB-CB 3.98Å; V12-A230 HydrophobicContact CG1-CB 3.6Å; V13-A230 HydrophobicContact CG2-CB 3.87Å; I226-A230 WeakPolarHBondContact O-CB 3.23Å; I226-A230 PolarHBondContact O-N 3.28Å; F227-A230 PolarHBondContact O-N 2.98Å; A230-V233 PolarHBondContact O-N 3.29Å; A230-V234 WeakPolarHBondContact O-CG2 3.26Å; A230-V234 PolarHBondContact O-N 3.46Å |
| 231 | L | 94.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.8 | -38.1 | 178.1 | -69.7 | 169 | 0 | 0 | 0 | 111.6 | I16 T47 H48 F202 F227 V234 T235 | I16-L231 HydrophobicContact CD1-CD2 4.05Å; T47-L231 HydrophobicContact CG2-CD1 4.08Å; T47-L231 HydrophobicContact CG2-CD2 3.76Å; H48-L231 HydrophobicContact CB-CD1 3.74Å; F202-L231 HydrophobicContact CD1-CD2 3.89Å; F202-L231 HydrophobicContact CE1-CD2 4.47Å; F227-L231 HydrophobicContact CB-CD1 4.42Å; F227-L231 WeakPolarHBondContact O-CB 3.47Å; F227-L231 VanDerWaalsContact O-CG 3.23Å; F227-L231 WeakPolarHBondContact O-CG 3.42Å; F227-L231 PolarHBondContact O-N 2.87Å; L231-V234 PolarHBondContact O-N 2.99Å; L231-T235 VanDerWaalsContact O-CB 3.25Å; L231-T235 WeakPolarHBondContact O-CB 3.41Å; L231-T235 PolarHBondContact O-N 3.47Å; L231-T235 PolarHBondContact O-OG1 3.13Å |
| 232 | N | 94.9 | Very high | 92.9 | Very high | 86 Ų | 86 | 32.1 Ų | 32.1 | 46% | 0.46 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.4 | -46.1 | 174.5 | -74.8 | -10 | 0 | 0 | 0 | 111.7 | T228 S229 V234 T235 I236 | T228-N232 WeakPolarHBondContact O-CB 3.46Å; T228-N232 PolarHBondContact O-N 2.95Å; T228-N232 PolarHBondContact O-ND2 3.39Å; T228-N232 PolarHBondContact O-OD1 3.06Å; S229-N232 PolarHBondContact O-N 2.92Å; N232-V234 PolarHBondContact O-N 2.88Å; N232-T235 PolarHBondContact O-N 3.45Å; N232-I236 WeakPolarHBondContact O-CG1 3.37Å; N232-I236 PolarHBondContact O-N 2.67Å |
| 233 | V | 93.9 | Very high | 93.1 | Very high | 65 Ų | 65 | 30.7 Ų | 30.7 | 39% | 0.394 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -57.7 | -48.6 | 176.1 | 169 | 0 | 0 | 0 | 0 | 110.9 | V13 S229 A230 I236 F237 | V13-V233 HydrophobicContact CG1-CG1 4.27Å; V13-V233 HydrophobicContact CG2-CB 4.25Å; V13-V233 HydrophobicContact CG2-CG1 4.06Å; S229-V233 WeakPolarHBondContact O-CG2 3.37Å; S229-V233 PolarHBondContact O-N 3.01Å; A230-V233 PolarHBondContact O-N 3.29Å; V233-I236 PolarHBondContact O-N 2.96Å; V233-F237 VanDerWaalsContact O-CB 3.32Å; V233-F237 WeakPolarHBondContact O-CB 3.11Å; V233-F237 PolarHBondContact O-N 3.1Å |
| 234 | V | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 177.6 | 175.4 | 0 | 0 | 0 | 0 | 112 | V13 I16 V17 F202 A230 L231 N232 F237 Y238 | V13-V234 HydrophobicContact CB-CG2 4.29Å; V13-V234 HydrophobicContact CG1-CG2 3.99Å; V13-V234 HydrophobicContact CG2-CG2 4.18Å; I16-V234 HydrophobicContact CB-CG1 4.45Å; I16-V234 HydrophobicContact CB-CG2 4.16Å; I16-V234 HydrophobicContact CD1-CG2 4.23Å; I16-V234 HydrophobicContact CG2-CG1 3.73Å; I16-V234 HydrophobicContact CG2-CG2 4.28Å; V17-V234 HydrophobicContact CG2-CG1 4.48Å; V17-V234 HydrophobicContact CG2-CG2 4.06Å; F202-V234 HydrophobicContact CD1-CG1 4.19Å; F202-V234 HydrophobicContact CE1-CB 4.27Å; F202-V234 HydrophobicContact CE1-CG1 3.74Å; A230-V234 WeakPolarHBondContact O-CG2 3.26Å; A230-V234 PolarHBondContact O-N 3.46Å; L231-V234 PolarHBondContact O-N 2.99Å; N232-V234 PolarHBondContact O-N 2.88Å; V234-F237 PolarHBondContact O-N 3.43Å; V234-Y238 HydrophobicContact CG1-CD1 4.22Å; V234-Y238 HydrophobicContact CG1-CD2 3.64Å; V234-Y238 HydrophobicContact CG1-CE1 3.94Å; V234-Y238 HydrophobicContact CG1-CE2 3.32Å; V234-Y238 HydrophobicContact CG1-CG 4.09Å; V234-Y238 VanDerWaalsContact CG1-CZ 3.48Å; V234-Y238 WeakPolarHBondContact O-CB 3.31Å; V234-Y238 PolarHBondContact O-N 3.13Å |
| 235 | T | 95.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.7 | -44.7 | -179.7 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | F41 S44 F202 L231 N232 Y238 I239 | F41-T235 HydrophobicContact CD1-CG2 3.87Å; F41-T235 HydrophobicContact CE1-CG2 3.9Å; F41-T235 HydrophobicContact CG-CG2 4.43Å; F41-T235 HydrophobicContact CZ-CG2 4.49Å; S44-T235 VanDerWaalsContact CB-OG1 3.31Å; S44-T235 WeakPolarHBondContact CB-OG1 3.23Å; S44-T235 PolarHBondContact OG-OG1 3.08Å; F202-T235 WeakPolarHBondContact CE1-OG1 3.39Å; F202-T235 HydrophobicContact CZ-CG2 4.41Å; F202-T235 WeakPolarHBondContact CZ-OG1 3.42Å; L231-T235 VanDerWaalsContact O-CB 3.25Å; L231-T235 WeakPolarHBondContact O-CB 3.41Å; L231-T235 PolarHBondContact O-N 3.47Å; L231-T235 PolarHBondContact O-OG1 3.13Å; N232-T235 PolarHBondContact O-N 3.45Å; T235-Y238 PolarHBondContact O-N 3.44Å; T235-I239 HydrophobicContact CG2-CD1 3.78Å; T235-I239 HydrophobicContact CG2-CG1 4.46Å; T235-I239 WeakPolarHBondContact O-CB 3.34Å; T235-I239 WeakPolarHBondContact O-CD1 3.4Å; T235-I239 WeakPolarHBondContact O-CG1 3.39Å; T235-I239 PolarHBondContact O-N 2.91Å |
| 236 | I | 95.1 | Very high | 93.2 | Very high | 110 Ų | 110 | 25.3 Ų | 25.3 | 56% | 0.564 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | -61 | -46.7 | 173.7 | -66.9 | 164.6 | 0 | 0 | 0 | 110.2 | N232 V233 Y238 I239 T240 | N232-I236 WeakPolarHBondContact O-CG1 3.37Å; N232-I236 PolarHBondContact O-N 2.67Å; V233-I236 PolarHBondContact O-N 2.96Å; I236-Y238 PolarHBondContact O-N 3.39Å; I236-I239 PolarHBondContact O-N 3.44Å; I236-T240 VanDerWaalsContact O-CB 3.28Å; I236-T240 WeakPolarHBondContact O-CB 3.46Å; I236-T240 PolarHBondContact O-N 2.85Å; I236-T240 PolarHBondContact O-OG1 3.44Å |
| 237 | F | 94.6 | Very high | 93.1 | Very high | 28 Ų | 28 | 25.5 Ų | 25.5 | 12% | 0.123 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60 | -46.5 | 179.5 | -176.2 | -98.9 | 0 | 0 | 0 | 112.6 | V17 V21 Y158 M162 V233 V234 T240 V241 | V17-F237 HydrophobicContact CG1-CD1 4.2Å; V17-F237 HydrophobicContact CG1-CE1 3.55Å; V17-F237 HydrophobicContact CG1-CZ 4.3Å; V17-F237 HydrophobicContact CG2-CD1 4.09Å; V17-F237 HydrophobicContact CG2-CE1 4.22Å; V21-F237 HydrophobicContact CB-CE1 4.32Å; V21-F237 HydrophobicContact CG2-CD1 4.21Å; V21-F237 HydrophobicContact CG2-CE1 3.54Å; V21-F237 HydrophobicContact CG2-CZ 4.35Å; Y158-F237 WeakPolarHBondContact O-CE2 3.23Å; Y158-F237 VanDerWaalsContact O-CZ 3.32Å; Y158-F237 WeakPolarHBondContact O-CZ 3.33Å; M162-F237 HydrophobicContact CB-CD2 4.07Å; M162-F237 HydrophobicContact CB-CE2 3.36Å; M162-F237 HydrophobicContact CB-CZ 3.93Å; M162-F237 HydrophobicContact CG-CD2 4Å; M162-F237 HydrophobicContact CG-CE2 3.82Å; V233-F237 VanDerWaalsContact O-CB 3.32Å; V233-F237 WeakPolarHBondContact O-CB 3.11Å; V233-F237 PolarHBondContact O-N 3.1Å; V234-F237 PolarHBondContact O-N 3.43Å; F237-T240 PolarHBondContact O-N 3.21Å; F237-V241 HydrophobicContact CE1-CG2 4.45Å; F237-V241 HydrophobicContact CZ-CG2 4.4Å; F237-V241 WeakPolarHBondContact O-CG2 3.35Å; F237-V241 PolarHBondContact O-N 3.17Å |
| 238 | Y | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.9 | -41.2 | 176.8 | -71.8 | -14.2 | 0 | 0 | 0 | 113.6 | I16 V17 S20 V21 M24 L40 A201 F202 V234 T235 I236 T240 G242 | I16-Y238 HydrophobicContact CG2-CE2 4.45Å; I16-Y238 PolarHBondContact O-OH 2.98Å; V17-Y238 VanDerWaalsContact CA-OH 3.32Å; V17-Y238 WeakPolarHBondContact CA-OH 3.44Å; V17-Y238 HydrophobicContact CG2-CE1 4.49Å; V17-Y238 PolarHBondContact O-OH 3.23Å; S20-Y238 PolarHBondContact OG-OH 3.07Å; V21-Y238 HydrophobicContact CB-CD1 4.4Å; V21-Y238 HydrophobicContact CB-CE1 4.08Å; V21-Y238 HydrophobicContact CG2-CD1 4.22Å; V21-Y238 HydrophobicContact CG2-CE1 4.36Å; M24-Y238 HydrophobicContact CE-CD1 3.94Å; M24-Y238 HydrophobicContact CE-CD2 3.4Å; M24-Y238 VanDerWaalsContact CE-CD2 3.4Å; M24-Y238 HydrophobicContact CE-CE1 4.02Å; M24-Y238 HydrophobicContact CE-CE2 3.51Å; M24-Y238 HydrophobicContact CE-CG 3.63Å; M24-Y238 HydrophobicContact CG-CD1 4.07Å; M24-Y238 HydrophobicContact CG-CG 4.13Å; M24-Y238 HydrophobicContact SD-CD1 4.43Å; M24-Y238 HydrophobicContact SD-CD2 4.14Å; M24-Y238 HydrophobicContact SD-CG 3.95Å; L40-Y238 HydrophobicContact CD2-CD2 4.36Å; A201-Y238 HydrophobicContact CB-CE2 3.88Å; A201-Y238 VanDerWaalsContact O-CE2 3.28Å; A201-Y238 WeakPolarHBondContact O-CE2 3.2Å; A201-Y238 PolarHBondContact O-OH 3.37Å; F202-Y238 HydrophobicContact CD1-CE2 4.28Å; F202-Y238 HydrophobicContact CE1-CD2 4.01Å; F202-Y238 HydrophobicContact CE1-CE2 4.07Å; F202-Y238 HydrophobicContact CE2-CD2 4.02Å; F202-Y238 HydrophobicContact CE2-CE2 4.34Å; F202-Y238 AromaticContact CZ-CD2 3.68Å; F202-Y238 HydrophobicContact CZ-CD2 3.68Å; F202-Y238 HydrophobicContact CZ-CE2 4.11Å; V234-Y238 HydrophobicContact CG1-CD1 4.22Å; V234-Y238 HydrophobicContact CG1-CD2 3.64Å; V234-Y238 HydrophobicContact CG1-CE1 3.94Å; V234-Y238 HydrophobicContact CG1-CE2 3.32Å; V234-Y238 HydrophobicContact CG1-CG 4.09Å; V234-Y238 VanDerWaalsContact CG1-CZ 3.48Å; V234-Y238 WeakPolarHBondContact O-CB 3.31Å; V234-Y238 PolarHBondContact O-N 3.13Å; T235-Y238 PolarHBondContact O-N 3.44Å; I236-Y238 PolarHBondContact O-N 3.39Å; Y238-T240 VanDerWaalsContact C-N 3.27Å; Y238-T240 PolarHBondContact O-N 2.94Å; Y238-G242 WeakPolarHBondContact O-CA 3.49Å; Y238-G242 PolarHBondContact O-N 3.48Å |
| 239 | I | 95.6 | Very high | 92.2 | Very high | 31 Ų | 31 | 24.8 Ų | 24.8 | 16% | 0.159 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 173.5 | -70.3 | 165.4 | 0 | 0 | 0 | 109.3 | T37 L40 F41 T235 I236 G242 F243 | T37-I239 HydrophobicContact CG2-CD1 3.99Å; T37-I239 HydrophobicContact CG2-CG1 4.23Å; T37-I239 HydrophobicContact CG2-CG2 4.3Å; L40-I239 HydrophobicContact CB-CG1 4.28Å; L40-I239 HydrophobicContact CD1-CB 4.47Å; L40-I239 HydrophobicContact CD1-CG1 3.69Å; F41-I239 HydrophobicContact CD2-CD1 4.12Å; F41-I239 HydrophobicContact CE1-CD1 4.35Å; F41-I239 HydrophobicContact CE2-CD1 3.52Å; F41-I239 HydrophobicContact CZ-CD1 3.66Å; T235-I239 HydrophobicContact CG2-CD1 3.78Å; T235-I239 HydrophobicContact CG2-CG1 4.46Å; T235-I239 WeakPolarHBondContact O-CB 3.34Å; T235-I239 WeakPolarHBondContact O-CD1 3.4Å; T235-I239 WeakPolarHBondContact O-CG1 3.39Å; T235-I239 PolarHBondContact O-N 2.91Å; I236-I239 PolarHBondContact O-N 3.44Å; I239-G242 PolarHBondContact O-N 3.4Å; I239-F243 WeakPolarHBondContact O-CB 3.31Å; I239-F243 PolarHBondContact O-N 3.02Å |
| 240 | T | 94.4 | Very high | 91.7 | Very high | 29 Ų | 29 | 23.5 Ų | 23.5 | 18% | 0.178 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.8 | -50.5 | -177.3 | -54 | 0 | 0 | 0 | 0 | 111.4 | M162 V166 I236 F237 Y238 F244 | M162-T240 HydrophobicContact CE-CG2 3.51Å; M162-T240 HydrophobicContact CG-CG2 4.46Å; V166-T240 HydrophobicContact CG2-CG2 4.1Å; I236-T240 VanDerWaalsContact O-CB 3.28Å; I236-T240 WeakPolarHBondContact O-CB 3.46Å; I236-T240 PolarHBondContact O-N 2.85Å; I236-T240 PolarHBondContact O-OG1 3.44Å; F237-T240 PolarHBondContact O-N 3.21Å; Y238-T240 VanDerWaalsContact C-N 3.27Å; Y238-T240 PolarHBondContact O-N 2.94Å; T240-F244 HydrophobicContact CG2-CD2 3.6Å; T240-F244 HydrophobicContact CG2-CE2 3.75Å; T240-F244 WeakPolarHBondContact O-CB 3.41Å; T240-F244 VanDerWaalsContact O-CD2 3.24Å; T240-F244 WeakPolarHBondContact O-CD2 3.12Å; T240-F244 PolarHBondContact O-N 3.36Å |
| 241 | V | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 176.2 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | V21 P25 F161 M162 M165 F237 G245 | V21-V241 HydrophobicContact CG2-CB 4.13Å; V21-V241 HydrophobicContact CG2-CG1 3.94Å; V21-V241 HydrophobicContact CG2-CG2 4.11Å; P25-V241 HydrophobicContact CG-CG1 4.25Å; F161-V241 HydrophobicContact CE1-CG1 3.91Å; F161-V241 HydrophobicContact CE1-CG2 4.42Å; F161-V241 HydrophobicContact CZ-CG1 4.16Å; M162-V241 HydrophobicContact CB-CG2 3.74Å; M162-V241 HydrophobicContact CG-CG2 3.91Å; M165-V241 HydrophobicContact CE-CG1 4.49Å; M165-V241 HydrophobicContact CG-CG1 4.27Å; F237-V241 HydrophobicContact CE1-CG2 4.45Å; F237-V241 HydrophobicContact CZ-CG2 4.4Å; F237-V241 WeakPolarHBondContact O-CG2 3.35Å; F237-V241 PolarHBondContact O-N 3.17Å; V241-G245 WeakPolarHBondContact O-CA 3.29Å; V241-G245 PolarHBondContact O-N 3Å |
| 242 | G | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.3 | -49 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y238 I239 Y246 | Y238-G242 WeakPolarHBondContact O-CA 3.49Å; Y238-G242 PolarHBondContact O-N 3.48Å; I239-G242 PolarHBondContact O-N 3.4Å; G242-Y246 WeakPolarHBondContact O-CB 3.34Å; G242-Y246 PolarHBondContact O-N 3.4Å |
| 243 | F | 91.9 | Very high | 89.4 | Confident | 47 Ų | 47 | 30 Ų | 30 | 21% | 0.206 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.8 | -55.6 | 177.1 | 173.9 | -102.7 | 0 | 0 | 0 | 112 | F28 I33 L174 W179 I239 Y246 V247 | F28-F243 HydrophobicContact CD1-CB 4.47Å; F28-F243 HydrophobicContact CE1-CB 4.14Å; I33-F243 HydrophobicContact CD1-CD2 4.01Å; I33-F243 HydrophobicContact CD1-CE2 3.78Å; I33-F243 HydrophobicContact CG1-CD2 4.14Å; I33-F243 HydrophobicContact CG1-CE2 4.42Å; I33-F243 HydrophobicContact CG2-CD2 3.86Å; I33-F243 HydrophobicContact CG2-CE2 4.26Å; L174-F243 HydrophobicContact CD1-CE1 4.27Å; L174-F243 HydrophobicContact CD1-CZ 4.41Å; W179-F243 HydrophobicContact CH2-CE2 4.25Å; W179-F243 HydrophobicContact CH2-CZ 4.07Å; W179-F243 HydrophobicContact CZ3-CE2 4.36Å; I239-F243 WeakPolarHBondContact O-CB 3.31Å; I239-F243 PolarHBondContact O-N 3.02Å; F243-Y246 PolarHBondContact O-N 3.02Å; F243-Y246 VanDerWaalsContact O-N 3.15Å; F243-V247 HydrophobicContact CD2-CG2 4.26Å; F243-V247 HydrophobicContact CE1-CG2 4.34Å; F243-V247 HydrophobicContact CE2-CG2 3.89Å; F243-V247 HydrophobicContact CZ-CG2 3.93Å; F243-V247 WeakPolarHBondContact O-CG2 3.29Å; F243-V247 PolarHBondContact O-N 2.85Å |
| 244 | F | 90.9 | Very high | 89 | Confident | 36 Ų | 36 | 29 Ų | 29 | 16% | 0.158 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.6 | -38.2 | -176 | -75.4 | -54.8 | 0 | 0 | 0 | 112.5 | V166 S169 L174 T240 Y246 V247 S248 | V166-F244 HydrophobicContact CB-CD2 4.46Å; V166-F244 HydrophobicContact CG2-CD2 3.59Å; V166-F244 HydrophobicContact CG2-CE2 3.85Å; V166-F244 HydrophobicContact CG2-CG 4.28Å; S169-F244 WeakPolarHBondContact OG-CA 3.39Å; S169-F244 WeakPolarHBondContact OG-CB 3.31Å; S169-F244 WeakPolarHBondContact OG-CD1 3.48Å; S169-F244 PolarHBondContact OG-O 3.43Å; L174-F244 HydrophobicContact CD1-CE1 4.13Å; L174-F244 HydrophobicContact CD2-CD1 4.48Å; L174-F244 HydrophobicContact CD2-CE1 3.7Å; T240-F244 HydrophobicContact CG2-CD2 3.6Å; T240-F244 HydrophobicContact CG2-CE2 3.75Å; T240-F244 WeakPolarHBondContact O-CB 3.41Å; T240-F244 VanDerWaalsContact O-CD2 3.24Å; T240-F244 WeakPolarHBondContact O-CD2 3.12Å; T240-F244 PolarHBondContact O-N 3.36Å; F244-Y246 VanDerWaalsContact C-N 3.32Å; F244-Y246 PolarHBondContact O-N 3.14Å; F244-V247 PolarHBondContact O-N 3.32Å; F244-S248 WeakPolarHBondContact O-CB 3.36Å; F244-S248 PolarHBondContact O-N 3.38Å; F244-S248 PolarHBondContact O-OG 2.95Å |
| 245 | G | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.1 | -38 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V241 F249 | V241-G245 WeakPolarHBondContact O-CA 3.29Å; V241-G245 PolarHBondContact O-N 3Å; G245-F249 WeakPolarHBondContact O-CD2 3.22Å |
| 246 | Y | 89.9 | Confident | 88.1 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.2 | -46 | 176.4 | -175.7 | -153.3 | 0 | 0 | 0 | 112.1 | F28 K29 I33 V183 Y184 G242 F243 F244 S248 F249 T250 I253 | F28-Y246 HydrophobicContact CB-CD1 3.78Å; F28-Y246 HydrophobicContact CB-CG 3.98Å; F28-Y246 VanDerWaalsContact O-CE1 3.3Å; F28-Y246 WeakPolarHBondContact O-CE1 3.47Å; K29-Y246 HydrophobicContact CB-CD2 3.96Å; K29-Y246 HydrophobicContact CB-CE2 3.82Å; K29-Y246 HydrophobicContact CG-CE2 4.45Å; I33-Y246 HydrophobicContact CG1-CD1 3.88Å; I33-Y246 HydrophobicContact CG1-CE1 4.12Å; V183-Y246 HydrophobicContact CG1-CD1 4.13Å; V183-Y246 HydrophobicContact CG1-CE1 3.57Å; Y184-Y246 WeakPolarHBondContact CD2-OH 3.39Å; Y184-Y246 PolarHBondContact N-OH 3.39Å; G242-Y246 WeakPolarHBondContact O-CB 3.34Å; G242-Y246 PolarHBondContact O-N 3.4Å; F243-Y246 PolarHBondContact O-N 3.02Å; F243-Y246 VanDerWaalsContact O-N 3.15Å; F244-Y246 VanDerWaalsContact C-N 3.32Å; F244-Y246 PolarHBondContact O-N 3.14Å; Y246-S248 VanDerWaalsContact C-N 3.31Å; Y246-S248 PolarHBondContact O-N 2.91Å; Y246-F249 PolarHBondContact O-N 2.77Å; Y246-T250 WeakPolarHBondContact CE2-O 3.29Å; Y246-T250 WeakPolarHBondContact O-CA 3.28Å; Y246-T250 PolarHBondContact O-N 2.67Å; Y246-I253 HydrophobicContact CD2-CD1 3.82Å |
| 247 | V | 87.2 | Confident | 87.8 | Confident | 6 Ų | 6 | 24.3 Ų | 24.3 | 4% | 0.036 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -35.2 | 177.5 | 172 | 0 | 0 | 0 | 0 | 112.2 | L174 W179 F243 F244 F249 | L174-V247 HydrophobicContact CD1-CG1 3.9Å; W179-V247 HydrophobicContact CB-CG1 3.92Å; W179-V247 HydrophobicContact CD2-CG1 3.96Å; W179-V247 HydrophobicContact CD2-CG2 4.17Å; W179-V247 HydrophobicContact CE3-CG1 4.46Å; W179-V247 HydrophobicContact CE3-CG2 3.87Å; W179-V247 HydrophobicContact CG-CG1 3.72Å; W179-V247 HydrophobicContact CZ3-CG2 4.19Å; F243-V247 HydrophobicContact CD2-CG2 4.26Å; F243-V247 HydrophobicContact CE1-CG2 4.34Å; F243-V247 HydrophobicContact CE2-CG2 3.89Å; F243-V247 HydrophobicContact CZ-CG2 3.93Å; F243-V247 WeakPolarHBondContact O-CG2 3.29Å; F243-V247 PolarHBondContact O-N 2.85Å; F244-V247 PolarHBondContact O-N 3.32Å; V247-F249 PolarHBondContact O-N 2.91Å |
| 248 | S | 84.6 | Confident | 87.5 | Confident | 10 Ų | 10 | 23.1 Ų | 23.1 | 7% | 0.07 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.3 | -32.8 | -178.9 | -58.3 | 0 | 0 | 0 | 0 | 114.2 | S169 F244 Y246 | S169-S248 WeakPolarHBondContact CA-OG 3.11Å; S169-S248 PolarHBondContact N-OG 3.5Å; S169-S248 PolarHBondContact OG-OG 3.09Å; F244-S248 WeakPolarHBondContact O-CB 3.36Å; F244-S248 PolarHBondContact O-N 3.38Å; F244-S248 PolarHBondContact O-OG 2.95Å; Y246-S248 VanDerWaalsContact C-N 3.31Å; Y246-S248 PolarHBondContact O-N 2.91Å |
| 249 | F | 81.1 | Confident | 86.9 | Confident | 25 Ų | 25 | 26.3 Ų | 26.3 | 11% | 0.11 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -124.8 | -11.7 | -168.3 | -63.9 | -67.2 | 0 | 0 | 0 | 114.3 | G245 Y246 V247 E251 N252 I253 V257 N260 F261 | G245-F249 WeakPolarHBondContact O-CD2 3.22Å; Y246-F249 PolarHBondContact O-N 2.77Å; V247-F249 PolarHBondContact O-N 2.91Å; F249-E251 PolarHBondContact O-N 3.12Å; F249-N252 PolarHBondContact O-N 3.38Å; F249-N252 VanDerWaalsContact O-N 3.15Å; F249-I253 HydrophobicContact CB-CD1 3.94Å; F249-I253 HydrophobicContact CB-CG1 3.39Å; F249-I253 HydrophobicContact CG-CG1 4.37Å; F249-V257 HydrophobicContact CD2-CG2 4.05Å; F249-V257 HydrophobicContact CE2-CG2 4.04Å; F249-N260 HydrophobicContact CD1-CB 3.83Å; F249-N260 HydrophobicContact CD2-CB 4.43Å; F249-N260 HydrophobicContact CE1-CB 3.86Å; F249-N260 VanDerWaalsContact CE1-O 3.3Å; F249-N260 WeakPolarHBondContact CE1-O 3.44Å; F249-N260 HydrophobicContact CE2-CB 4.46Å; F249-N260 HydrophobicContact CG-CB 4.14Å; F249-N260 HydrophobicContact CZ-CB 4.19Å; F249-F261 AromaticContact CE2-CD2 3.97Å; F249-F261 HydrophobicContact CE2-CD2 3.97Å; F249-F261 HydrophobicContact CE2-CE1 4.37Å; F249-F261 AromaticContact CE2-CE2 3.49Å; F249-F261 HydrophobicContact CE2-CE2 3.49Å; F249-F261 VanDerWaalsContact CE2-CE2 3.49Å; F249-F261 AromaticContact CE2-CZ 3.72Å; F249-F261 HydrophobicContact CE2-CZ 3.72Å; F249-F261 AromaticContact CZ-CD1 3.99Å; F249-F261 HydrophobicContact CZ-CD1 3.99Å; F249-F261 AromaticContact CZ-CD2 3.62Å; F249-F261 HydrophobicContact CZ-CD2 3.62Å; F249-F261 AromaticContact CZ-CE1 3.93Å; F249-F261 HydrophobicContact CZ-CE1 3.93Å; F249-F261 AromaticContact CZ-CE2 3.56Å; F249-F261 HydrophobicContact CZ-CE2 3.56Å; F249-F261 AromaticContact CZ-CG 3.85Å; F249-F261 HydrophobicContact CZ-CG 3.85Å; F249-F261 AromaticContact CZ-CZ 3.71Å; F249-F261 HydrophobicContact CZ-CZ 3.71Å |
| 250 | T | 80.9 | Confident | 86.4 | Confident | 15 Ų | 15 | 26.7 Ų | 26.7 | 9% | 0.092 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | -113.3 | 179.2 | 67.1 | 0 | 0 | 0 | 0 | 113.5 | V183 Y246 I253 | V183-T250 HydrophobicContact CG2-CG2 3.97Å; Y246-T250 WeakPolarHBondContact CE2-O 3.29Å; Y246-T250 WeakPolarHBondContact O-CA 3.28Å; Y246-T250 PolarHBondContact O-N 2.67Å; T250-I253 WeakPolarHBondContact O-CD1 3.32Å |
| 251 | E | 73.6 | Confident | 85.9 | Confident | 84 Ų | 84 | 26.1 Ų | 26.1 | 39% | 0.393 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -26.4 | -175.9 | -60.8 | -165.3 | 132.6 | 0 | 0 | 113 | K29 Y184 F249 I253 | K29-E251 WeakPolarHBondContact CE-O 3.48Å; K29-E251 PolarHBondContact NZ-O 2.9Å; Y184-E251 HydrophobicContact CE2-CG 4.4Å; Y184-E251 WeakPolarHBondContact CE2-OE1 3.49Å; Y184-E251 PolarHBondContact OH-OE1 3.07Å; F249-E251 PolarHBondContact O-N 3.12Å; E251-I253 VanDerWaalsContact C-N 3.29Å; E251-I253 PolarHBondContact O-N 3.49Å; E251-I253 VanDerWaalsContact O-N 3.08Å |
| 252 | N | 78.1 | Confident | 85.2 | Confident | 136 Ų | 136 | 30 Ų | 30 | 73% | 0.727 | 16% | 0.164 | S | C | * | . | trans | -90.4 | 54.8 | -175.9 | -75.7 | -32.2 | 0 | 0 | 0 | 112.9 | F249 N260 | F249-N252 PolarHBondContact O-N 3.38Å; F249-N252 VanDerWaalsContact O-N 3.15Å; N252-N260 PolarHBondContact O-OD1 3.2Å | ||
| 253 | I | 83.8 | Confident | 84.4 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | trans | -105.8 | 114.4 | 172.2 | -64.3 | 169.3 | 0 | 0 | 0 | 110.3 | P25 F26 K29 Y246 F249 T250 E251 | P25-I253 HydrophobicContact CB-CD1 4.21Å; P25-I253 HydrophobicContact CB-CG2 4.32Å; F26-I253 HydrophobicContact CB-CG2 4.11Å; K29-I253 HydrophobicContact CB-CD1 4.38Å; K29-I253 HydrophobicContact CD-CB 3.82Å; K29-I253 PolarHBondContact NZ-O 2.93Å; Y246-I253 HydrophobicContact CD2-CD1 3.82Å; F249-I253 HydrophobicContact CB-CD1 3.94Å; F249-I253 HydrophobicContact CB-CG1 3.39Å; F249-I253 HydrophobicContact CG-CG1 4.37Å; T250-I253 WeakPolarHBondContact O-CD1 3.32Å; E251-I253 VanDerWaalsContact C-N 3.29Å; E251-I253 PolarHBondContact O-N 3.49Å; E251-I253 VanDerWaalsContact O-N 3.08Å | ||
| 254 | A | 85.3 | Confident | 84 | Confident | 44 Ų | 44 | 34.6 Ų | 34.6 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | trans | -71.1 | 152.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N256 N260 | A254-N256 CarbonylContact O-C 3.58Å; A254-N256 PolarHBondContact O-N 3.01Å; A254-N256 VanDerWaalsContact O-N 3.09Å; A254-N260 WeakPolarHBondContact CB-OD1 3.31Å; A254-N260 PolarHBondContact N-OD1 3.04Å | ||
| 255 | G | 81.3 | Confident | 83.6 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -55.2 | -28.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T23 E340 | T23-G255 WeakPolarHBondContact CA-O 3.39Å; T23-G255 WeakPolarHBondContact CG2-O 3.2Å; G255-E340 VanDerWaalsContact CA-OE2 3.23Å; G255-E340 WeakPolarHBondContact CA-OE2 3.47Å; G255-E340 PolarHBondContact N-OE2 2.72Å |
| 256 | N | 90.2 | Very high | 83.2 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.032 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -98.5 | 107.1 | 165.5 | 179.5 | -11.9 | 0 | 0 | 0 | 109.2 | D103 A254 L258 M259 V339 | D103-N256 WeakPolarHBondContact CB-ND2 3.37Å; D103-N256 WeakPolarHBondContact OD2-CB 3.26Å; D103-N256 PolarHBondContact OD2-ND2 3.4Å; A254-N256 CarbonylContact O-C 3.58Å; A254-N256 PolarHBondContact O-N 3.01Å; A254-N256 VanDerWaalsContact O-N 3.09Å; N256-L258 VanDerWaalsContact C-N 3.26Å; N256-L258 PolarHBondContact O-N 3.49Å; N256-L258 PolarHBondContact OD1-N 3.26Å; N256-M259 HydrophobicContact CB-CG 3.91Å; N256-M259 WeakPolarHBondContact O-CB 3.37Å; N256-M259 WeakPolarHBondContact O-CG 3.29Å; N256-M259 PolarHBondContact O-N 2.98Å; N256-M259 VanDerWaalsContact O-N 3.16Å; N256-V339 HydrophobicContact CB-CG1 3.94Å |
| 257 | V | 89 | Confident | 82.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -63.7 | -28.1 | -172.2 | 71.1 | 0 | 0 | 0 | 0 | 114.2 | L22 P25 F161 M165 F249 M259 N260 | L22-V257 HydrophobicContact CD2-CG1 4.41Å; L22-V257 WeakPolarHBondContact O-CB 3.29Å; L22-V257 WeakPolarHBondContact O-CG1 3.27Å; L22-V257 PolarHBondContact O-N 3.33Å; P25-V257 HydrophobicContact CB-CB 4.25Å; P25-V257 HydrophobicContact CB-CG2 3.9Å; P25-V257 HydrophobicContact CG-CB 3.93Å; P25-V257 HydrophobicContact CG-CG1 4.08Å; P25-V257 HydrophobicContact CG-CG2 3.82Å; F161-V257 HydrophobicContact CE2-CG1 4.33Å; F161-V257 HydrophobicContact CZ-CG1 3.93Å; M165-V257 HydrophobicContact CE-CB 4.11Å; M165-V257 HydrophobicContact CE-CG1 3.3Å; M165-V257 HydrophobicContact CE-CG2 3.69Å; F249-V257 HydrophobicContact CD2-CG2 4.05Å; F249-V257 HydrophobicContact CE2-CG2 4.04Å; V257-M259 PolarHBondContact O-N 3.27Å; V257-M259 VanDerWaalsContact O-N 3.13Å; V257-N260 VanDerWaalsContact CA-ND2 3.35Å; V257-N260 WeakPolarHBondContact CA-ND2 3.4Å; V257-N260 PolarHBondContact O-N 2.98Å; V257-N260 VanDerWaalsContact O-N 3.11Å; V257-N260 PolarHBondContact O-ND2 3.45Å |
| 258 | L | 86.5 | Confident | 82.7 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -65.6 | -14.1 | 179.3 | -78.3 | 173.3 | 0 | 0 | 0 | 113.7 | L22 L104 F161 N256 F261 I270 R271 F274 | L22-L258 HydrophobicContact CD1-CD1 4.49Å; L22-L258 HydrophobicContact CD2-CD1 3.58Å; L22-L258 HydrophobicContact CD2-CG 3.82Å; L104-L258 HydrophobicContact CD1-CD1 3.88Å; L104-L258 HydrophobicContact CD2-CB 3.68Å; L104-L258 HydrophobicContact CD2-CD1 3.97Å; L104-L258 HydrophobicContact CD2-CG 4.5Å; F161-L258 HydrophobicContact CD2-CD2 3.99Å; F161-L258 HydrophobicContact CE2-CD1 4.45Å; F161-L258 HydrophobicContact CE2-CD2 3.7Å; F161-L258 HydrophobicContact CE2-CG 3.93Å; N256-L258 VanDerWaalsContact C-N 3.26Å; N256-L258 PolarHBondContact O-N 3.49Å; N256-L258 PolarHBondContact OD1-N 3.26Å; L258-F261 HydrophobicContact CD2-CD2 4.43Å; L258-I270 HydrophobicContact CD2-CG2 3.91Å; L258-R271 HydrophobicContact CB-CG 4.49Å; L258-R271 PolarHBondContact O-NE 3Å; L258-R271 VanDerWaalsContact O-NE 3.16Å; L258-R271 PolarHBondContact O-NH2 2.86Å; L258-F274 HydrophobicContact CD1-CB 4.16Å; L258-F274 HydrophobicContact CD1-CD2 4.43Å; L258-F274 HydrophobicContact CD1-CG 4.2Å |
| 259 | M | 84.6 | Confident | 82.7 | Confident | 67 Ų | 67 | 52 Ų | 52 | 33% | 0.33 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -75.4 | -24.1 | 175.1 | -60.4 | -67.6 | -78 | 0 | 0 | 112.8 | D103 N107 N256 V257 | D103-M259 HydrophobicContact CB-CE 4.47Å; D103-M259 HydrophobicContact CB-SD 3.83Å; N107-M259 WeakPolarHBondContact ND2-CE 3.19Å; N256-M259 HydrophobicContact CB-CG 3.91Å; N256-M259 WeakPolarHBondContact O-CB 3.37Å; N256-M259 WeakPolarHBondContact O-CG 3.29Å; N256-M259 PolarHBondContact O-N 2.98Å; N256-M259 VanDerWaalsContact O-N 3.16Å; V257-M259 PolarHBondContact O-N 3.27Å; V257-M259 VanDerWaalsContact O-N 3.13Å |
| 260 | N | 85.2 | Confident | 82.9 | Confident | 39 Ų | 39 | 51.7 Ų | 51.7 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -85.8 | -10.8 | -177.3 | -41.9 | -76.4 | 0 | 0 | 0 | 112.9 | F249 N252 A254 V257 | F249-N260 HydrophobicContact CD1-CB 3.83Å; F249-N260 HydrophobicContact CD2-CB 4.43Å; F249-N260 HydrophobicContact CE1-CB 3.86Å; F249-N260 VanDerWaalsContact CE1-O 3.3Å; F249-N260 WeakPolarHBondContact CE1-O 3.44Å; F249-N260 HydrophobicContact CE2-CB 4.46Å; F249-N260 HydrophobicContact CG-CB 4.14Å; F249-N260 HydrophobicContact CZ-CB 4.19Å; N252-N260 PolarHBondContact O-OD1 3.2Å; A254-N260 WeakPolarHBondContact CB-OD1 3.31Å; A254-N260 PolarHBondContact N-OD1 3.04Å; V257-N260 VanDerWaalsContact CA-ND2 3.35Å; V257-N260 WeakPolarHBondContact CA-ND2 3.4Å; V257-N260 PolarHBondContact O-N 2.98Å; V257-N260 VanDerWaalsContact O-N 3.11Å; V257-N260 PolarHBondContact O-ND2 3.45Å |
| 261 | F | 82.7 | Confident | 83.3 | Confident | 18 Ų | 18 | 51.2 Ų | 51.2 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -75.1 | 134.7 | 175.9 | -77.9 | -94.6 | 0 | 0 | 0 | 111.4 | M165 F249 L258 T267 R271 | M165-F261 HydrophobicContact CE-CE2 3.58Å; M165-F261 HydrophobicContact CE-CZ 3.86Å; M165-F261 HydrophobicContact SD-CE2 4.11Å; M165-F261 HydrophobicContact SD-CZ 3.79Å; F249-F261 AromaticContact CE2-CD2 3.97Å; F249-F261 HydrophobicContact CE2-CD2 3.97Å; F249-F261 HydrophobicContact CE2-CE1 4.37Å; F249-F261 AromaticContact CE2-CE2 3.49Å; F249-F261 HydrophobicContact CE2-CE2 3.49Å; F249-F261 VanDerWaalsContact CE2-CE2 3.49Å; F249-F261 AromaticContact CE2-CZ 3.72Å; F249-F261 HydrophobicContact CE2-CZ 3.72Å; F249-F261 AromaticContact CZ-CD1 3.99Å; F249-F261 HydrophobicContact CZ-CD1 3.99Å; F249-F261 AromaticContact CZ-CD2 3.62Å; F249-F261 HydrophobicContact CZ-CD2 3.62Å; F249-F261 AromaticContact CZ-CE1 3.93Å; F249-F261 HydrophobicContact CZ-CE1 3.93Å; F249-F261 AromaticContact CZ-CE2 3.56Å; F249-F261 HydrophobicContact CZ-CE2 3.56Å; F249-F261 AromaticContact CZ-CG 3.85Å; F249-F261 HydrophobicContact CZ-CG 3.85Å; F249-F261 AromaticContact CZ-CZ 3.71Å; F249-F261 HydrophobicContact CZ-CZ 3.71Å; L258-F261 HydrophobicContact CD2-CD2 4.43Å; F261-T267 HydrophobicContact CB-CG2 4.05Å; F261-T267 HydrophobicContact CD1-CG2 3.71Å; F261-T267 HydrophobicContact CG-CG2 4.15Å; F261-R271 PolarHBondContact O-NH2 3.43Å |
| 262 | P | 78.4 | Confident | 83.9 | Confident | 80 Ų | 80 | 49.3 Ų | 49.3 | 52% | 0.519 | 28% | 0.277 | S | S | . | . | trans | -64.6 | 140.5 | 167.8 | 27.1 | -32.4 | 0 | 0 | 0 | 110.1 | N264 T267 | P262-N264 PolarHBondContact O-N 2.99Å; P262-N264 PolarHBondContact O-ND2 3.07Å; P262-T267 PolarHBondContact O-OG1 3.3Å | ||
| 263 | S | 77 | Confident | 84.3 | Confident | 53 Ų | 53 | 43 Ų | 43 | 37% | 0.371 | 25% | 0.245 | S | C | . | . | trans | -65.7 | 103.8 | -179.4 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | Q111 E268 R271 | Q111-S263 PolarHBondContact OE1-OG 3.47Å; S263-E268 WeakPolarHBondContact CB-OE1 3.48Å; S263-R271 PolarHBondContact OG-NH1 3.46Å | ||
| 264 | N | 83.1 | Confident | 84.4 | Confident | 92 Ų | 92 | 42.9 Ų | 42.9 | 49% | 0.492 | 24% | 0.244 | S | C | . | . | trans | -127.1 | 153.4 | 172.9 | -66.1 | -101.7 | 0 | 0 | 0 | 108.8 | P262 V266 T267 E268 | P262-N264 PolarHBondContact O-N 2.99Å; P262-N264 PolarHBondContact O-ND2 3.07Å; N264-V266 VanDerWaalsContact C-N 3.3Å; N264-V266 PolarHBondContact O-N 2.91Å; N264-V266 VanDerWaalsContact O-N 3.12Å; N264-T267 PolarHBondContact N-OG1 2.84Å; N264-T267 CarbonylContact O-C 3.52Å; N264-T267 WeakPolarHBondContact O-CA 3.49Å; N264-T267 PolarHBondContact O-N 3.35Å; N264-T267 PolarHBondContact O-OG1 3.15Å; N264-E268 WeakPolarHBondContact O-CG 3.19Å; N264-E268 PolarHBondContact O-N 3.5Å | ||
| 265 | L | 82.4 | Confident | 84.5 | Confident | 138 Ų | 138 | 41.7 Ų | 41.7 | 72% | 0.723 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -47.1 | -47.7 | -179.5 | -64.2 | 175.2 | 0 | 0 | 0 | 113.6 | T267 E268 M269 | L265-T267 PolarHBondContact O-N 3.38Å; L265-E268 PolarHBondContact O-N 3.07Å; L265-M269 WeakPolarHBondContact O-CG 3.4Å; L265-M269 PolarHBondContact O-N 2.91Å |
| 266 | V | 83 | Confident | 84.7 | Confident | 90 Ų | 90 | 46.3 Ų | 46.3 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 178.5 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | T164 N264 E268 I270 | T164-V266 HydrophobicContact CG2-CG1 4.48Å; N264-V266 VanDerWaalsContact C-N 3.3Å; N264-V266 PolarHBondContact O-N 2.91Å; N264-V266 VanDerWaalsContact O-N 3.12Å; V266-E268 VanDerWaalsContact C-N 3.35Å; V266-I270 HydrophobicContact CG1-CD1 4.05Å; V266-I270 WeakPolarHBondContact O-CD1 3.5Å; V266-I270 VanDerWaalsContact O-CG1 3.27Å; V266-I270 WeakPolarHBondContact O-CG1 3.48Å; V266-I270 PolarHBondContact O-N 3.46Å; V266-I270 VanDerWaalsContact O-N 3.11Å |
| 267 | T | 81.9 | Confident | 84.4 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.9 | -32 | 178.4 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | F261 P262 N264 L265 I270 R271 | F261-T267 HydrophobicContact CB-CG2 4.05Å; F261-T267 HydrophobicContact CD1-CG2 3.71Å; F261-T267 HydrophobicContact CG-CG2 4.15Å; P262-T267 PolarHBondContact O-OG1 3.3Å; N264-T267 PolarHBondContact N-OG1 2.84Å; N264-T267 CarbonylContact O-C 3.52Å; N264-T267 WeakPolarHBondContact O-CA 3.49Å; N264-T267 PolarHBondContact O-N 3.35Å; N264-T267 PolarHBondContact O-OG1 3.15Å; L265-T267 PolarHBondContact O-N 3.38Å; T267-I270 PolarHBondContact O-N 2.99Å; T267-R271 VanDerWaalsContact O-CG 3.29Å; T267-R271 WeakPolarHBondContact O-CG 3.46Å; T267-R271 PolarHBondContact O-N 2.84Å |
| 268 | E | 83.8 | Confident | 84.4 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71 | -43.8 | 175.8 | -72.3 | 170 | -178.5 | 0 | 0 | 111.5 | Q111 S263 N264 L265 V266 I270 R271 V272 | Q111-E268 PolarHBondContact NE2-OE1 3.2Å; S263-E268 WeakPolarHBondContact CB-OE1 3.48Å; N264-E268 WeakPolarHBondContact O-CG 3.19Å; N264-E268 PolarHBondContact O-N 3.5Å; L265-E268 PolarHBondContact O-N 3.07Å; V266-E268 VanDerWaalsContact C-N 3.35Å; E268-I270 PolarHBondContact O-N 3.48Å; E268-R271 PolarHBondContact O-N 3.44Å; E268-R271 VanDerWaalsContact O-N 3.13Å; E268-V272 WeakPolarHBondContact O-CG2 3.48Å; E268-V272 PolarHBondContact O-N 2.79Å |
| 269 | M | 84.9 | Confident | 84.3 | Confident | 141 Ų | 141 | 46.8 Ų | 46.8 | 70% | 0.695 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -56.4 | -38.2 | 170.8 | -71.3 | -177.6 | 77.6 | 0 | 0 | 111.7 | L265 G273 | L265-M269 WeakPolarHBondContact O-CG 3.4Å; L265-M269 PolarHBondContact O-N 2.91Å; M269-G273 PolarHBondContact O-N 2.78Å |
| 270 | I | 86.1 | Confident | 84.2 | Confident | 17 Ų | 17 | 45.2 Ų | 45.2 | 9% | 0.087 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -71 | -41.8 | 175.5 | -68.6 | 163.6 | 0 | 0 | 0 | 111.7 | F161 T164 L258 V266 T267 E268 V272 G273 F274 | F161-I270 HydrophobicContact CB-CG2 4.11Å; F161-I270 HydrophobicContact CD2-CG2 3.86Å; F161-I270 HydrophobicContact CG-CG2 4.44Å; T164-I270 HydrophobicContact CG2-CD1 3.63Å; T164-I270 WeakPolarHBondContact OG1-CD1 3.5Å; L258-I270 HydrophobicContact CD2-CG2 3.91Å; V266-I270 HydrophobicContact CG1-CD1 4.05Å; V266-I270 WeakPolarHBondContact O-CD1 3.5Å; V266-I270 VanDerWaalsContact O-CG1 3.27Å; V266-I270 WeakPolarHBondContact O-CG1 3.48Å; V266-I270 PolarHBondContact O-N 3.46Å; V266-I270 VanDerWaalsContact O-N 3.11Å; T267-I270 PolarHBondContact O-N 2.99Å; E268-I270 PolarHBondContact O-N 3.48Å; I270-V272 PolarHBondContact O-N 3.31Å; I270-G273 PolarHBondContact O-N 3.35Å; I270-F274 VanDerWaalsContact O-CB 3.29Å; I270-F274 WeakPolarHBondContact O-CB 3.33Å; I270-F274 PolarHBondContact O-N 2.92Å |
| 271 | R | 87.4 | Confident | 84 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 2% | 0.023 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.3 | -46 | 174.2 | -74 | 177.6 | 175.2 | 152.4 | 1 | 111.4 | L104 L258 F261 S263 T267 E268 M275 | L104-R271 HydrophobicContact CB-CB 4.45Å; L104-R271 HydrophobicContact CD2-CG 4.17Å; L258-R271 HydrophobicContact CB-CG 4.49Å; L258-R271 PolarHBondContact O-NE 3Å; L258-R271 VanDerWaalsContact O-NE 3.16Å; L258-R271 PolarHBondContact O-NH2 2.86Å; F261-R271 PolarHBondContact O-NH2 3.43Å; S263-R271 PolarHBondContact OG-NH1 3.46Å; T267-R271 VanDerWaalsContact O-CG 3.29Å; T267-R271 WeakPolarHBondContact O-CG 3.46Å; T267-R271 PolarHBondContact O-N 2.84Å; E268-R271 PolarHBondContact O-N 3.44Å; E268-R271 VanDerWaalsContact O-N 3.13Å; R271-M275 VanDerWaalsContact O-CB 3.29Å; R271-M275 WeakPolarHBondContact O-CB 3.25Å; R271-M275 PolarHBondContact O-N 3.48Å |
| 272 | V | 86.5 | Confident | 84.2 | Confident | 43 Ų | 43 | 43.4 Ų | 43.4 | 26% | 0.261 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.7 | -45.4 | 178 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | F108 E268 I270 F274 M275 M276 | F108-V272 HydrophobicContact CD1-CG2 4.08Å; F108-V272 HydrophobicContact CD2-CG2 3.62Å; F108-V272 HydrophobicContact CE1-CG2 4.13Å; F108-V272 HydrophobicContact CE2-CG2 3.68Å; F108-V272 HydrophobicContact CG-CG2 3.83Å; F108-V272 HydrophobicContact CZ-CG2 3.94Å; E268-V272 WeakPolarHBondContact O-CG2 3.48Å; E268-V272 PolarHBondContact O-N 2.79Å; I270-V272 PolarHBondContact O-N 3.31Å; V272-F274 VanDerWaalsContact C-N 3.34Å; V272-F274 PolarHBondContact O-N 3.45Å; V272-M275 PolarHBondContact O-N 2.99Å; V272-M276 HydrophobicContact CG1-CG 4.45Å; V272-M276 WeakPolarHBondContact O-CB 3.36Å; V272-M276 WeakPolarHBondContact O-CG 3.35Å; V272-M276 PolarHBondContact O-N 2.87Å |
| 273 | G | 86.8 | Confident | 84.4 | Confident | 4 Ų | 4 | 40 Ų | 40 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.4 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M269 I270 M276 S277 | M269-G273 PolarHBondContact O-N 2.78Å; I270-G273 PolarHBondContact O-N 3.35Å; G273-M276 PolarHBondContact O-N 3.4Å; G273-S277 PolarHBondContact O-N 2.95Å |
| 274 | F | 87.1 | Confident | 84.5 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.7 | -41 | 175.4 | -155.2 | -73 | 0 | 0 | 0 | 112.1 | G18 V21 L22 V100 L104 Y158 L258 I270 V272 M276 S277 V278 | G18-F274 WeakPolarHBondContact O-CZ 3.32Å; V21-F274 HydrophobicContact CG1-CE2 3.71Å; V21-F274 HydrophobicContact CG1-CZ 3.77Å; L22-F274 HydrophobicContact CD1-CD1 3.9Å; L22-F274 HydrophobicContact CD1-CE1 3.43Å; L22-F274 VanDerWaalsContact CD1-CE1 3.43Å; L22-F274 HydrophobicContact CD1-CE2 4.48Å; L22-F274 HydrophobicContact CD1-CZ 3.77Å; L22-F274 HydrophobicContact CD2-CD2 4.13Å; L22-F274 HydrophobicContact CD2-CE1 4.2Å; L22-F274 HydrophobicContact CD2-CE2 3.75Å; L22-F274 HydrophobicContact CD2-CZ 3.8Å; L22-F274 HydrophobicContact CG-CD1 4.47Å; L22-F274 HydrophobicContact CG-CE1 3.79Å; L22-F274 HydrophobicContact CG-CE2 4.04Å; L22-F274 HydrophobicContact CG-CZ 3.54Å; V100-F274 HydrophobicContact CG1-CD1 4.12Å; V100-F274 HydrophobicContact CG1-CE1 4.22Å; L104-F274 HydrophobicContact CD1-CB 4.06Å; L104-F274 HydrophobicContact CD1-CD1 4.17Å; L104-F274 HydrophobicContact CD1-CG 4.44Å; Y158-F274 HydrophobicContact CD1-CD2 4.05Å; Y158-F274 AromaticContact CD1-CE2 3.71Å; Y158-F274 HydrophobicContact CD1-CE2 3.71Å; Y158-F274 HydrophobicContact CD1-CZ 4.47Å; Y158-F274 AromaticContact CE1-CD2 3.91Å; Y158-F274 HydrophobicContact CE1-CD2 3.91Å; Y158-F274 AromaticContact CE1-CE2 3.53Å; Y158-F274 HydrophobicContact CE1-CE2 3.53Å; Y158-F274 AromaticContact CE1-CZ 3.9Å; Y158-F274 HydrophobicContact CE1-CZ 3.9Å; L258-F274 HydrophobicContact CD1-CB 4.16Å; L258-F274 HydrophobicContact CD1-CD2 4.43Å; L258-F274 HydrophobicContact CD1-CG 4.2Å; I270-F274 VanDerWaalsContact O-CB 3.29Å; I270-F274 WeakPolarHBondContact O-CB 3.33Å; I270-F274 PolarHBondContact O-N 2.92Å; V272-F274 VanDerWaalsContact C-N 3.34Å; V272-F274 PolarHBondContact O-N 3.45Å; F274-M276 VanDerWaalsContact C-N 3.3Å; F274-M276 PolarHBondContact O-N 2.89Å; F274-S277 PolarHBondContact O-N 2.99Å; F274-S277 PolarHBondContact O-OG 3.31Å; F274-V278 HydrophobicContact CD1-CG2 3.68Å; F274-V278 HydrophobicContact CE1-CG2 3.53Å; F274-V278 WeakPolarHBondContact O-CB 3.39Å; F274-V278 VanDerWaalsContact O-CG2 3.3Å; F274-V278 WeakPolarHBondContact O-CG2 3.32Å; F274-V278 PolarHBondContact O-N 3Å |
| 275 | M | 87.8 | Confident | 84.6 | Confident | 20 Ų | 20 | 37.7 Ų | 37.7 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.8 | -42.3 | 173.8 | -177.4 | -178.5 | 70.8 | 0 | 0 | 111.4 | I101 L104 F109 R271 V272 V278 A279 | I101-M275 HydrophobicContact CG1-CG 4.25Å; L104-M275 HydrophobicContact CB-CB 4.44Å; F109-M275 HydrophobicContact CE2-CE 4.21Å; R271-M275 VanDerWaalsContact O-CB 3.29Å; R271-M275 WeakPolarHBondContact O-CB 3.25Å; R271-M275 PolarHBondContact O-N 3.48Å; V272-M275 PolarHBondContact O-N 2.99Å; M275-V278 PolarHBondContact O-N 3.35Å; M275-A279 WeakPolarHBondContact O-CB 3.37Å; M275-A279 PolarHBondContact O-N 3.4Å |
| 276 | M | 84.1 | Confident | 84.7 | Confident | 104 Ų | 104 | 31.1 Ų | 31.1 | 51% | 0.512 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -69 | -40 | 176.3 | -70.1 | -60.1 | -68.5 | 0 | 0 | 112.7 | V272 G273 F274 V278 A279 V280 | V272-M276 HydrophobicContact CG1-CG 4.45Å; V272-M276 WeakPolarHBondContact O-CB 3.36Å; V272-M276 WeakPolarHBondContact O-CG 3.35Å; V272-M276 PolarHBondContact O-N 2.87Å; G273-M276 PolarHBondContact O-N 3.4Å; F274-M276 VanDerWaalsContact C-N 3.3Å; F274-M276 PolarHBondContact O-N 2.89Å; M276-V278 VanDerWaalsContact C-N 3.3Å; M276-V278 PolarHBondContact O-N 3.36Å; M276-A279 PolarHBondContact O-N 3.29Å; M276-V280 PolarHBondContact O-N 3.08Å |
| 277 | S | 85.2 | Confident | 84.6 | Confident | 11 Ų | 11 | 29.1 Ų | 29.1 | 8% | 0.077 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 175.8 | 78.6 | 0 | 0 | 0 | 0 | 111.7 | Y158 G273 F274 G281 | Y158-S277 WeakPolarHBondContact CE1-OG 3.44Å; Y158-S277 PolarHBondContact OH-OG 3.11Å; Y158-S277 VanDerWaalsContact OH-OG 3.08Å; G273-S277 PolarHBondContact O-N 2.95Å; F274-S277 PolarHBondContact O-N 2.99Å; F274-S277 PolarHBondContact O-OG 3.31Å; S277-G281 PolarHBondContact O-N 3.45Å |
| 278 | V | 87.4 | Confident | 84.5 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.9 | -39.7 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | F97 V100 I101 F274 M275 M276 V280 G281 F282 | F97-V278 HydrophobicContact CB-CG1 3.46Å; F97-V278 VanDerWaalsContact CB-CG1 3.46Å; F97-V278 HydrophobicContact CD1-CG1 3.79Å; F97-V278 HydrophobicContact CD2-CG1 4.46Å; F97-V278 HydrophobicContact CG-CG1 3.67Å; V100-V278 HydrophobicContact CG1-CG2 4.43Å; I101-V278 HydrophobicContact CD1-CG1 4Å; I101-V278 HydrophobicContact CG1-CG1 3.9Å; F274-V278 HydrophobicContact CD1-CG2 3.68Å; F274-V278 HydrophobicContact CE1-CG2 3.53Å; F274-V278 WeakPolarHBondContact O-CB 3.39Å; F274-V278 VanDerWaalsContact O-CG2 3.3Å; F274-V278 WeakPolarHBondContact O-CG2 3.32Å; F274-V278 PolarHBondContact O-N 3Å; M275-V278 PolarHBondContact O-N 3.35Å; M276-V278 VanDerWaalsContact C-N 3.3Å; M276-V278 PolarHBondContact O-N 3.36Å; V278-V280 PolarHBondContact O-N 2.63Å; V278-G281 PolarHBondContact O-N 3.22Å; V278-F282 PolarHBondContact O-N 3.38Å; V278-F282 VanDerWaalsContact O-N 3.08Å |
| 279 | A | 85.1 | Confident | 84.6 | Confident | 6 Ų | 6 | 27.7 Ų | 27.7 | 5% | 0.05 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.1 | -40.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I101 M275 M276 F282 P283 | I101-A279 HydrophobicContact CD1-CB 4.45Å; M275-A279 WeakPolarHBondContact O-CB 3.37Å; M275-A279 PolarHBondContact O-N 3.4Å; M276-A279 PolarHBondContact O-N 3.29Å; A279-F282 PolarHBondContact O-N 3.43Å; A279-P283 WeakPolarHBondContact O-CD 3.46Å |
| 280 | V | 81.6 | Confident | 84.6 | Confident | 33 Ų | 33 | 22 Ų | 22 | 20% | 0.2 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -77.6 | -28.6 | 174.5 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | F150 M276 V278 F282 P283 | F150-V280 HydrophobicContact CB-CG1 3.8Å; F150-V280 HydrophobicContact CD1-CG2 4.37Å; F150-V280 HydrophobicContact CG-CG1 4.27Å; M276-V280 PolarHBondContact O-N 3.08Å; V278-V280 PolarHBondContact O-N 2.63Å; V280-F282 PolarHBondContact O-N 3.39Å; V280-P283 WeakPolarHBondContact O-CD 3.38Å |
| 281 | G | 82.7 | Confident | 84.3 | Confident | 20 Ų | 20 | 26.9 Ų | 26.9 | 21% | 0.206 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.5 | -26.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F97 S277 V278 M284 M285 | F97-G281 WeakPolarHBondContact CE2-O 3.34Å; S277-G281 PolarHBondContact O-N 3.45Å; V278-G281 PolarHBondContact O-N 3.22Å; G281-M284 WeakPolarHBondContact O-CB 3.49Å; G281-M284 PolarHBondContact O-N 3.23Å; G281-M284 VanDerWaalsContact O-N 3.13Å; G281-M285 PolarHBondContact O-N 3.39Å |
| 282 | F | 86.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.8 | -49.6 | -176.6 | -160.7 | -66.9 | 0 | 0 | 0 | 113.3 | C94 F97 Y98 V134 V278 A279 V280 M284 M285 I286 V326 | C94-F282 HydrophobicContact CB-CD2 4.33Å; C94-F282 HydrophobicContact CB-CE1 4.36Å; C94-F282 HydrophobicContact CB-CE2 3.61Å; C94-F282 HydrophobicContact CB-CZ 3.63Å; C94-F282 WeakPolarHBondContact O-CE2 3.43Å; F97-F282 HydrophobicContact CB-CD2 3.88Å; F97-F282 HydrophobicContact CB-CE2 4.45Å; F97-F282 HydrophobicContact CD2-CB 4.08Å; F97-F282 AromaticContact CD2-CD2 3.94Å; F97-F282 HydrophobicContact CD2-CD2 3.94Å; F97-F282 HydrophobicContact CD2-CG 4.3Å; F97-F282 HydrophobicContact CG-CD2 4.46Å; Y98-F282 AromaticContact CD2-CE2 3.55Å; Y98-F282 HydrophobicContact CD2-CE2 3.55Å; Y98-F282 HydrophobicContact CD2-CZ 4.03Å; Y98-F282 HydrophobicContact CE2-CD2 4.48Å; Y98-F282 AromaticContact CE2-CE2 3.33Å; Y98-F282 HydrophobicContact CE2-CE2 3.33Å; Y98-F282 AromaticContact CE2-CZ 3.39Å; Y98-F282 HydrophobicContact CE2-CZ 3.39Å; Y98-F282 HydrophobicContact CG-CE2 4.28Å; Y98-F282 AromaticContact CZ-CE2 3.89Å; Y98-F282 AromaticContact CZ-CZ 3.96Å; V134-F282 HydrophobicContact CG1-CB 4.31Å; V134-F282 HydrophobicContact CG1-CD1 3.31Å; V134-F282 HydrophobicContact CG1-CD2 4.04Å; V134-F282 HydrophobicContact CG1-CE1 3.47Å; V134-F282 VanDerWaalsContact CG1-CE1 3.47Å; V134-F282 HydrophobicContact CG1-CE2 4.18Å; V134-F282 HydrophobicContact CG1-CG 3.63Å; V134-F282 HydrophobicContact CG1-CZ 3.91Å; V278-F282 PolarHBondContact O-N 3.38Å; V278-F282 VanDerWaalsContact O-N 3.08Å; A279-F282 PolarHBondContact O-N 3.43Å; V280-F282 PolarHBondContact O-N 3.39Å; F282-M284 PolarHBondContact O-N 3Å; F282-M285 PolarHBondContact O-N 3.08Å; F282-I286 HydrophobicContact CE1-CD1 4.27Å; F282-I286 PolarHBondContact O-N 3.2Å; F282-V326 HydrophobicContact CE1-CG2 4.49Å |
| 283 | P | 81.9 | Confident | 84.1 | Confident | 8 Ų | 8 | 26.4 Ų | 26.4 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -50.8 | -38.9 | 166.4 | -31.4 | 35.6 | 0 | 0 | 0 | 114.6 | L137 A279 V280 M285 I286 L287 | L137-P283 HydrophobicContact CB-CG 3.78Å; A279-P283 WeakPolarHBondContact O-CD 3.46Å; V280-P283 WeakPolarHBondContact O-CD 3.38Å; P283-M285 VanDerWaalsContact C-N 3.31Å; P283-M285 PolarHBondContact O-N 3.28Å; P283-I286 WeakPolarHBondContact O-CG2 3.34Å; P283-I286 PolarHBondContact O-N 3.14Å; P283-L287 VanDerWaalsContact O-CG 3.26Å; P283-L287 WeakPolarHBondContact O-CG 3.29Å; P283-L287 PolarHBondContact O-N 2.95Å |
| 284 | M | 79.9 | Confident | 83.9 | Confident | 65 Ų | 65 | 27.9 Ų | 27.9 | 32% | 0.32 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -66.5 | -30 | -179.5 | -80.5 | -69.5 | -100.3 | 0 | 0 | 113.8 | I147 G281 F282 P288 | I147-M284 HydrophobicContact CD1-CG 4.18Å; I147-M284 HydrophobicContact CD1-SD 4.03Å; I147-M284 HydrophobicContact CG2-CE 3.86Å; I147-M284 HydrophobicContact CG2-CG 3.61Å; I147-M284 HydrophobicContact CG2-SD 3.68Å; G281-M284 WeakPolarHBondContact O-CB 3.49Å; G281-M284 PolarHBondContact O-N 3.23Å; G281-M284 VanDerWaalsContact O-N 3.13Å; F282-M284 PolarHBondContact O-N 3Å; M284-P288 WeakPolarHBondContact O-CD 3.44Å |
| 285 | M | 84.1 | Confident | 83.5 | Confident | 32 Ų | 32 | 30.5 Ų | 30.5 | 16% | 0.158 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -85.8 | -32.8 | 175.2 | -61.9 | -59.7 | 178.2 | 0 | 0 | 112.6 | M90 T93 F97 G281 F282 P283 P288 C289 | M90-M285 HydrophobicContact CE-SD 4.33Å; M90-M285 HydrophobicContact SD-CB 4.1Å; M90-M285 HydrophobicContact SD-CG 4.43Å; M90-M285 HydrophobicContact SD-SD 3.58Å; T93-M285 HydrophobicContact CG2-CE 4.19Å; T93-M285 HydrophobicContact CG2-CG 4.15Å; T93-M285 HydrophobicContact CG2-SD 4.43Å; F97-M285 HydrophobicContact CE2-CB 4.34Å; F97-M285 HydrophobicContact CE2-CG 3.6Å; F97-M285 HydrophobicContact CZ-CE 4.28Å; F97-M285 HydrophobicContact CZ-CG 3.98Å; G281-M285 PolarHBondContact O-N 3.39Å; F282-M285 PolarHBondContact O-N 3.08Å; P283-M285 VanDerWaalsContact C-N 3.31Å; P283-M285 PolarHBondContact O-N 3.28Å; M285-P288 WeakPolarHBondContact O-CD 3.47Å; M285-P288 WeakPolarHBondContact O-CG 3.27Å; M285-C289 VanDerWaalsContact O-CB 3.29Å; M285-C289 WeakPolarHBondContact O-CB 3.19Å; M285-C289 PolarHBondContact O-N 2.94Å |
| 286 | I | 85.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -72.6 | -29.9 | -179.5 | -156.9 | 166 | 0 | 0 | 0 | 113.2 | F282 P283 C289 R290 T322 I325 V326 | F282-I286 HydrophobicContact CE1-CD1 4.27Å; F282-I286 PolarHBondContact O-N 3.2Å; P283-I286 WeakPolarHBondContact O-CG2 3.34Å; P283-I286 PolarHBondContact O-N 3.14Å; I286-C289 PolarHBondContact O-N 3.25Å; I286-R290 VanDerWaalsContact O-CB 3.28Å; I286-R290 WeakPolarHBondContact O-CB 3.43Å; I286-R290 PolarHBondContact O-N 3.32Å; I286-T322 HydrophobicContact CD1-CG2 3.87Å; I286-I325 HydrophobicContact CD1-CB 3.82Å; I286-I325 HydrophobicContact CD1-CD1 4.3Å; I286-I325 HydrophobicContact CD1-CG2 3.61Å; I286-I325 HydrophobicContact CG1-CB 4.18Å; I286-I325 HydrophobicContact CG1-CD1 3.88Å; I286-I325 HydrophobicContact CG1-CG2 3.75Å; I286-V326 HydrophobicContact CD1-CG2 3.78Å |
| 287 | L | 79.9 | Confident | 82.8 | Confident | 48 Ų | 48 | 33.2 Ų | 33.2 | 25% | 0.251 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.5 | -57.2 | 177.1 | -72.5 | 172.3 | 0 | 0 | 0 | 113.2 | P283 R290 Q291 | P283-L287 VanDerWaalsContact O-CG 3.26Å; P283-L287 WeakPolarHBondContact O-CG 3.29Å; P283-L287 PolarHBondContact O-N 2.95Å; L287-R290 PolarHBondContact O-N 3.32Å; L287-Q291 PolarHBondContact O-N 2.95Å |
| 288 | P | 79.6 | Confident | 82.1 | Confident | 18 Ų | 18 | 36 Ų | 36 | 12% | 0.117 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.6 | -32.5 | 175.8 | 27.2 | -34.7 | 0 | 0 | 0 | 112.6 | M86 M90 M284 M285 Q291 A292 | M86-P288 HydrophobicContact CE-CB 3.89Å; M90-P288 HydrophobicContact CE-CG 4.08Å; M90-P288 HydrophobicContact SD-CG 4.02Å; M284-P288 WeakPolarHBondContact O-CD 3.44Å; M285-P288 WeakPolarHBondContact O-CD 3.47Å; M285-P288 WeakPolarHBondContact O-CG 3.27Å; P288-Q291 PolarHBondContact O-N 3.24Å; P288-A292 PolarHBondContact O-N 2.89Å |
| 289 | C | 85.8 | Confident | 80.7 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 175 | -168.3 | 0 | 0 | 0 | 0 | 111.8 | M90 M285 I286 Q291 A292 I293 | M90-C289 HydrophobicContact CB-CB 3.71Å; M90-C289 HydrophobicContact CG-CB 4.2Å; M285-C289 VanDerWaalsContact O-CB 3.29Å; M285-C289 WeakPolarHBondContact O-CB 3.19Å; M285-C289 PolarHBondContact O-N 2.94Å; I286-C289 PolarHBondContact O-N 3.25Å; C289-Q291 PolarHBondContact O-N 3.26Å; C289-A292 PolarHBondContact O-N 2.93Å; C289-I293 WeakPolarHBondContact O-CG1 3.05Å; C289-I293 PolarHBondContact O-N 2.83Å |
| 290 | R | 85.5 | Confident | 79 | Confident | 21 Ų | 21 | 46 Ų | 46 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.5 | -39.8 | 175.5 | -177.1 | -176.1 | 69 | -136.5 | -4.9 | 112 | I286 L287 N294 M313 F318 I321 T322 I325 | I286-R290 VanDerWaalsContact O-CB 3.28Å; I286-R290 WeakPolarHBondContact O-CB 3.43Å; I286-R290 PolarHBondContact O-N 3.32Å; L287-R290 PolarHBondContact O-N 3.32Å; R290-N294 VanDerWaalsContact O-CB 3.26Å; R290-N294 WeakPolarHBondContact O-CB 3.47Å; R290-N294 PolarHBondContact O-N 3.35Å; R290-M313 HydrophobicContact CG-CE 3.99Å; R290-M313 HydrophobicContact CG-SD 4.3Å; R290-F318 VanDerWaalsContact NH1-CE2 3.31Å; R290-I321 HydrophobicContact CB-CG2 4.45Å; R290-I321 HydrophobicContact CG-CG2 3.91Å; R290-T322 WeakPolarHBondContact CD-OG1 3.43Å; R290-I325 HydrophobicContact CB-CD1 4.33Å |
| 291 | Q | 80.1 | Confident | 77.1 | Confident | 121 Ų | 121 | 49.2 Ų | 49.2 | 57% | 0.565 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.3 | -46 | 175.8 | -74 | 173.9 | -40.5 | 0 | 0 | 111.4 | L287 P288 C289 N294 T295 | L287-Q291 PolarHBondContact O-N 2.95Å; P288-Q291 PolarHBondContact O-N 3.24Å; C289-Q291 PolarHBondContact O-N 3.26Å; Q291-N294 PolarHBondContact O-N 3.26Å; Q291-T295 WeakPolarHBondContact O-CB 3.44Å; Q291-T295 PolarHBondContact O-N 2.86Å; Q291-T295 PolarHBondContact O-OG1 3.26Å |
| 292 | A | 83.6 | Confident | 75.1 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I87 P288 C289 N294 T295 M296 | I87-A292 HydrophobicContact CD1-CB 4.03Å; I87-A292 HydrophobicContact CG1-CB 3.56Å; P288-A292 PolarHBondContact O-N 2.89Å; C289-A292 PolarHBondContact O-N 2.93Å; A292-N294 VanDerWaalsContact C-N 3.34Å; A292-N294 PolarHBondContact O-N 3.24Å; A292-T295 PolarHBondContact O-N 2.9Å; A292-M296 WeakPolarHBondContact O-CB 3.46Å; A292-M296 PolarHBondContact O-N 3.35Å |
| 293 | I | 86.3 | Confident | 72.5 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 176.3 | -71.6 | 162.9 | 0 | 0 | 0 | 111.1 | I87 C289 M296 L297 I321 I325 | I87-I293 HydrophobicContact CD1-CB 4.47Å; I87-I293 HydrophobicContact CD1-CG1 3.71Å; I87-I293 HydrophobicContact CG1-CG1 3.87Å; I87-I293 HydrophobicContact CG2-CD1 4.05Å; I87-I293 HydrophobicContact CG2-CG1 3.87Å; C289-I293 WeakPolarHBondContact O-CG1 3.05Å; C289-I293 PolarHBondContact O-N 2.83Å; I293-M296 PolarHBondContact O-N 3.11Å; I293-L297 WeakPolarHBondContact O-CB 3.48Å; I293-L297 PolarHBondContact O-N 2.91Å; I293-I321 HydrophobicContact CB-CG2 4.22Å; I293-I321 HydrophobicContact CG2-CD1 4.23Å; I293-I321 HydrophobicContact CG2-CG1 4.33Å; I293-I321 HydrophobicContact CG2-CG2 3.77Å; I293-I325 HydrophobicContact CD1-CD1 3.66Å; I293-I325 HydrophobicContact CD1-CG1 3.7Å |
| 294 | N | 83.1 | Confident | 70 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 19% | 0.193 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64 | -42.6 | 178.4 | -176.5 | 82 | 0 | 0 | 0 | 112.2 | R290 Q291 A292 M296 F298 M313 | R290-N294 VanDerWaalsContact O-CB 3.26Å; R290-N294 WeakPolarHBondContact O-CB 3.47Å; R290-N294 PolarHBondContact O-N 3.35Å; Q291-N294 PolarHBondContact O-N 3.26Å; A292-N294 VanDerWaalsContact C-N 3.34Å; A292-N294 PolarHBondContact O-N 3.24Å; N294-M296 VanDerWaalsContact C-N 3.33Å; N294-M296 PolarHBondContact O-N 2.84Å; N294-F298 CarbonylContact O-C 3.45Å; N294-F298 WeakPolarHBondContact O-CA 3.32Å; N294-F298 WeakPolarHBondContact O-CB 3.23Å; N294-F298 PolarHBondContact O-N 3.27Å; N294-M313 HydrophobicContact CB-CE 3.97Å; N294-M313 WeakPolarHBondContact OD1-CE 3.48Å |
| 295 | T | 78.4 | Confident | 67.8 | Low | 57 Ų | 57 | 67 Ų | 67 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.6 | -26.9 | 178.7 | -57.5 | 0 | 0 | 0 | 0 | 113.4 | K79 E83 Q291 A292 E299 | K79-T295 PolarHBondContact NZ-O 3.24Å; E83-T295 VanDerWaalsContact OE1-CG2 3.3Å; E83-T295 WeakPolarHBondContact OE1-CG2 3.45Å; Q291-T295 WeakPolarHBondContact O-CB 3.44Å; Q291-T295 PolarHBondContact O-N 2.86Å; Q291-T295 PolarHBondContact O-OG1 3.26Å; A292-T295 PolarHBondContact O-N 2.9Å; T295-E299 WeakPolarHBondContact O-CA 3.38Å |
| 296 | M | 79.7 | Confident | 65.4 | Low | 75 Ų | 75 | 70.2 Ų | 70.2 | 37% | 0.369 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -81.2 | -44.1 | 175.6 | -170.9 | -169.3 | 76.7 | 0 | 0 | 112 | I87 A292 I293 N294 | I87-M296 HydrophobicContact CD1-CB 4.42Å; I87-M296 HydrophobicContact CD1-CE 4.21Å; I87-M296 HydrophobicContact CD1-SD 3.82Å; A292-M296 WeakPolarHBondContact O-CB 3.46Å; A292-M296 PolarHBondContact O-N 3.35Å; I293-M296 PolarHBondContact O-N 3.11Å; N294-M296 VanDerWaalsContact C-N 3.33Å; N294-M296 PolarHBondContact O-N 2.84Å |
| 297 | L | 76.6 | Confident | 63.2 | Low | 106 Ų | 106 | 74.3 Ų | 74.3 | 56% | 0.555 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -81.8 | -34.1 | -175.3 | -173.5 | 64.6 | 0 | 0 | 0 | 112.9 | I293 | I293-L297 WeakPolarHBondContact O-CB 3.48Å; I293-L297 PolarHBondContact O-N 2.91Å |
| 298 | F | 70.1 | Confident | 61.1 | Low | 68 Ų | 68 | 74.8 Ų | 74.8 | 30% | 0.298 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -116.9 | 70.5 | 173.2 | -55.3 | -73.4 | 0 | 0 | 0 | 107.9 | N294 Q300 R317 I321 | N294-F298 CarbonylContact O-C 3.45Å; N294-F298 WeakPolarHBondContact O-CA 3.32Å; N294-F298 WeakPolarHBondContact O-CB 3.23Å; N294-F298 PolarHBondContact O-N 3.27Å; F298-Q300 PolarHBondContact O-N 2.91Å; F298-R317 VanDerWaalsContact CD1-NH1 3.35Å; F298-R317 HydrophobicContact CE2-CG 4.41Å; F298-R317 HydrophobicContact CZ-CG 4.37Å; F298-I321 HydrophobicContact CE2-CD1 4.22Å |
| 299 | E | 59.8 | Low | 59.2 | Low | 68 Ų | 68 | 78.7 Ų | 78.7 | 32% | 0.318 | 43% | 0.425 | S | S | . | . | trans | -64 | 82 | 178.4 | 178.2 | 164.1 | -89.4 | 0 | 0 | 110.3 | K76 K79 T295 Q301 | K76-E299 IonicContact NZ-OE2 2.64Å; K76-E299 PolarHBondContact NZ-OE2 3.42Å; K79-E299 WeakPolarHBondContact CE-OE1 3.49Å; K79-E299 IonicContact NZ-OE1 3.28Å; K79-E299 PolarHBondContact NZ-OE1 3.46Å; T295-E299 WeakPolarHBondContact O-CA 3.38Å; E299-Q301 VanDerWaalsContact C-N 3.25Å; E299-Q301 HydrophobicContact CG-CG 4.08Å; E299-Q301 PolarHBondContact O-N 3.32Å | ||
| 300 | Q | 48.3 | Very low | 57.2 | Low | 152 Ų | 152 | 81.9 Ų | 81.9 | 71% | 0.71 | 46% | 0.458 | S | S | * | . | trans | -77.1 | 80.1 | -177.3 | -171.3 | 152.4 | -28.2 | 0 | 0 | 109.8 | F298 Q302 | F298-Q300 PolarHBondContact O-N 2.91Å; Q300-Q302 PolarHBondContact O-N 2.86Å | ||
| 301 | Q | 42.7 | Very low | 55.3 | Low | 99 Ų | 99 | 83.6 Ų | 83.6 | 46% | 0.463 | 48% | 0.482 | S | S | . | . | trans | -65.1 | 79.9 | 161.6 | -63.5 | -91.9 | -115.4 | 0 | 0 | 108.8 | K76 E299 K303 | K76-Q301 VanDerWaalsContact CE-OE1 3.3Å; E299-Q301 VanDerWaalsContact C-N 3.25Å; E299-Q301 HydrophobicContact CG-CG 4.08Å; E299-Q301 PolarHBondContact O-N 3.32Å; Q301-K303 PolarHBondContact O-N 3.4Å | ||
| 302 | Q | 39 | Very low | 54 | Low | 95 Ų | 95 | 86.1 Ų | 86.1 | 44% | 0.444 | 49% | 0.488 | S | S | . | . | trans | -52.2 | 131 | 150.1 | -75.2 | -177.2 | -101.9 | 0 | 0 | 106.8 | Q300 D304 | Q300-Q302 PolarHBondContact O-N 2.86Å; Q302-D304 PolarHBondContact O-N 3.47Å; Q302-D304 VanDerWaalsContact O-N 3.12Å | ||
| 303 | K | 32.7 | Very low | 53.1 | Low | 202 Ų | 202 | 86.8 Ų | 86.8 | 88% | 0.878 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -70.2 | -7.1 | -177 | -77.4 | -177.6 | 172.5 | 178.9 | 0 | 112.3 | Q301 G305 | Q301-K303 PolarHBondContact O-N 3.4Å; K303-G305 PolarHBondContact O-N 2.99Å |
| 304 | D | 28.6 | Very low | 52.5 | Low | 116 Ų | 116 | 87.7 Ų | 87.7 | 62% | 0.62 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -107.2 | 38.4 | -158.7 | -36.2 | -69.2 | 0 | 0 | 0 | 112.7 | Q302 T306 | Q302-D304 PolarHBondContact O-N 3.47Å; Q302-D304 VanDerWaalsContact O-N 3.12Å; D304-T306 WeakPolarHBondContact O-CB 3.42Å; D304-T306 PolarHBondContact O-N 3.47Å; D304-T306 PolarHBondContact O-OG1 3.36Å |
| 305 | G | 35.6 | Very low | 52.2 | Low | 53 Ų | 53 | 89.2 Ų | 89.2 | 55% | 0.546 | 51% | 0.509 | S | S | . | . | S | Bend | trans | 64.5 | -7.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | K303 | K303-G305 PolarHBondContact O-N 2.99Š|
| 306 | T | 33.7 | Very low | 52.2 | Low | 100 Ų | 100 | 92.7 Ų | 92.7 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | trans | -117 | 109.3 | -160.6 | -53.2 | 0 | 0 | 0 | 0 | 110.8 | D304 A308 | D304-T306 WeakPolarHBondContact O-CB 3.42Å; D304-T306 PolarHBondContact O-N 3.47Å; D304-T306 PolarHBondContact O-OG1 3.36Å; T306-A308 VanDerWaalsContact C-N 3.28Å; T306-A308 PolarHBondContact O-N 3.08Å | ||
| 307 | F | 37.8 | Very low | 52.3 | Low | 86 Ų | 86 | 94.1 Ų | 94.1 | 38% | 0.377 | 53% | 0.526 | S | S | . | . | trans | -74.9 | 76.8 | 178.4 | -77.8 | -98.5 | 0 | 0 | 0 | 111 | F71 A309 | F71-F307 HydrophobicContact CD1-CE2 4.05Å; F71-F307 AromaticContact CD1-CZ 3.81Å; F71-F307 HydrophobicContact CD1-CZ 3.81Å; F71-F307 HydrophobicContact CE1-CE2 4.21Å; F71-F307 HydrophobicContact CE1-CZ 4.06Å; F71-F307 HydrophobicContact CG-CZ 4.1Å; F307-A309 PolarHBondContact O-N 3.42Å; F307-A309 VanDerWaalsContact O-N 3.08Å | ||
| 308 | A | 35.8 | Very low | 52.6 | Low | 59 Ų | 59 | 89.8 Ų | 89.8 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | trans | -72.1 | 96.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | T306 G310 | T306-A308 VanDerWaalsContact C-N 3.28Å; T306-A308 PolarHBondContact O-N 3.08Å; A308-G310 PolarHBondContact O-N 3.49Å | ||
| 309 | A | 39.3 | Very low | 53.4 | Low | 100 Ų | 100 | 92.3 Ų | 92.3 | 83% | 0.826 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 51.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F307 | F307-A309 PolarHBondContact O-N 3.42Å; F307-A309 VanDerWaalsContact O-N 3.08Å |
| 310 | G | 43.9 | Very low | 54.8 | Low | 68 Ų | 68 | 94 Ų | 94 | 70% | 0.701 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -156 | 10.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | A308 Y312 | A308-G310 PolarHBondContact O-N 3.49Å; G310-Y312 PolarHBondContact O-N 2.56Å |
| 311 | G | 47.4 | Very low | 56.7 | Low | 57 Ų | 57 | 87.6 Ų | 87.6 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | trans | -57.1 | 137.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M313 | G311-M313 PolarHBondContact O-N 3.42Š| ||
| 312 | Y | 51.3 | Low | 58.9 | Low | 174 Ų | 174 | 82.9 Ų | 82.9 | 68% | 0.682 | 47% | 0.471 | S | S | * | . | trans | -62 | 99.9 | -177.4 | 177.7 | -96.5 | 0 | 0 | 0 | 111.4 | G310 P314 | G310-Y312 PolarHBondContact O-N 2.56Å; Y312-P314 VanDerWaalsContact O-CD 3.26Å; Y312-P314 WeakPolarHBondContact O-CD 3.35Å | ||
| 313 | M | 65.1 | Low | 61.4 | Low | 23 Ų | 23 | 81.5 Ų | 81.5 | 11% | 0.113 | 47% | 0.467 | C | S | . | . | trans | -69.6 | 117 | 177.2 | -169.9 | -175.6 | -170.8 | 0 | 0 | 110 | R290 N294 G311 R317 F318 I321 | R290-M313 HydrophobicContact CG-CE 3.99Å; R290-M313 HydrophobicContact CG-SD 4.3Å; N294-M313 HydrophobicContact CB-CE 3.97Å; N294-M313 WeakPolarHBondContact OD1-CE 3.48Å; G311-M313 PolarHBondContact O-N 3.42Å; M313-R317 HydrophobicContact CE-CB 4.39Å; M313-F318 HydrophobicContact CE-CB 4.47Å; M313-F318 HydrophobicContact CG-CB 4.4Å; M313-F318 HydrophobicContact SD-CB 4.11Å; M313-F318 HydrophobicContact SD-CD2 4.17Å; M313-I321 HydrophobicContact CE-CB 4.46Å; M313-I321 HydrophobicContact CE-CD1 3.63Å | ||
| 314 | P | 74.3 | Confident | 64.2 | Low | 47 Ų | 47 | 75.6 Ų | 75.6 | 31% | 0.305 | 45% | 0.45 | S | S | . | . | trans | -57.6 | 138.8 | -177 | -27 | 35.2 | 0 | 0 | 0 | 112.4 | Y312 L316 R317 F318 | Y312-P314 VanDerWaalsContact O-CD 3.26Å; Y312-P314 WeakPolarHBondContact O-CD 3.35Å; P314-L316 PolarHBondContact O-N 2.86Å; P314-L316 VanDerWaalsContact O-N 3.11Å; P314-R317 HydrophobicContact CB-CB 4.5Å; P314-R317 HydrophobicContact CB-CG 4.31Å; P314-R317 HydrophobicContact CG-CG 4.43Å; P314-R317 PolarHBondContact O-N 3.39Å; P314-F318 PolarHBondContact O-N 3.12Å | ||
| 315 | P | 75.6 | Confident | 67.2 | Low | 68 Ų | 68 | 70.5 Ų | 70.5 | 44% | 0.442 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -54.5 | -34.7 | -176.1 | -29.1 | 35.7 | 0 | 0 | 0 | 114.6 | K319 | P315-K319 WeakPolarHBondContact O-CG 3.4Å; P315-K319 PolarHBondContact O-N 2.87Å |
| 316 | L | 79.9 | Confident | 70 | Confident | 130 Ų | 130 | 68 Ų | 68 | 68% | 0.681 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67.6 | -46.2 | 176.3 | -171.6 | 65.2 | 0 | 0 | 0 | 112.1 | P314 F318 K319 M320 | P314-L316 PolarHBondContact O-N 2.86Å; P314-L316 VanDerWaalsContact O-N 3.11Å; L316-F318 VanDerWaalsContact C-N 3.32Å; L316-F318 PolarHBondContact O-N 3.14Å; L316-K319 PolarHBondContact O-N 3Å; L316-M320 HydrophobicContact CD1-CG 4.39Å; L316-M320 HydrophobicContact CG-CG 4.46Å; L316-M320 WeakPolarHBondContact O-CB 3.3Å; L316-M320 VanDerWaalsContact O-CG 3.3Å; L316-M320 WeakPolarHBondContact O-CG 3.16Å; L316-M320 PolarHBondContact O-N 2.94Å |
| 317 | R | 80.8 | Confident | 72.7 | Confident | 106 Ų | 106 | 66.9 Ų | 66.9 | 40% | 0.4 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 176.4 | -64.8 | -173.4 | -173.8 | 174.4 | 5.2 | 111.3 | F298 M313 P314 I321 | F298-R317 VanDerWaalsContact CD1-NH1 3.35Å; F298-R317 HydrophobicContact CE2-CG 4.41Å; F298-R317 HydrophobicContact CZ-CG 4.37Å; M313-R317 HydrophobicContact CE-CB 4.39Å; P314-R317 HydrophobicContact CB-CB 4.5Å; P314-R317 HydrophobicContact CB-CG 4.31Å; P314-R317 HydrophobicContact CG-CG 4.43Å; P314-R317 PolarHBondContact O-N 3.39Å; R317-I321 WeakPolarHBondContact O-CB 3.12Å; R317-I321 WeakPolarHBondContact O-CG1 3.47Å; R317-I321 PolarHBondContact O-N 3.48Å |
| 318 | F | 82.3 | Confident | 75.3 | Confident | 14 Ų | 14 | 64.9 Ų | 64.9 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.9 | -50.3 | 174.2 | 176.8 | -78.5 | 0 | 0 | 0 | 111.5 | L139 R141 R290 M313 P314 L316 T322 | L139-F318 WeakPolarHBondContact O-CE1 3.23Å; R141-F318 HydrophobicContact CB-CE2 4.44Å; R141-F318 HydrophobicContact CB-CZ 4.1Å; R141-F318 HydrophobicContact CG-CE2 4.07Å; R141-F318 HydrophobicContact CG-CZ 4.24Å; R290-F318 VanDerWaalsContact NH1-CE2 3.31Å; M313-F318 HydrophobicContact CE-CB 4.47Å; M313-F318 HydrophobicContact CG-CB 4.4Å; M313-F318 HydrophobicContact SD-CB 4.11Å; M313-F318 HydrophobicContact SD-CD2 4.17Å; P314-F318 PolarHBondContact O-N 3.12Å; L316-F318 VanDerWaalsContact C-N 3.32Å; L316-F318 PolarHBondContact O-N 3.14Å; F318-T322 WeakPolarHBondContact O-CB 3.21Å; F318-T322 PolarHBondContact O-N 3.43Å; F318-T322 PolarHBondContact O-OG1 2.86Å |
| 319 | K | 87.4 | Confident | 78.1 | Confident | 121 Ų | 121 | 62.1 Ų | 62.1 | 53% | 0.526 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.1 | -51.3 | 178.2 | -74.5 | 178.9 | 178.6 | -175 | 0 | 111.5 | L139 P315 L316 T322 L323 | L139-K319 HydrophobicContact CD2-CG 4.34Å; P315-K319 WeakPolarHBondContact O-CG 3.4Å; P315-K319 PolarHBondContact O-N 2.87Å; L316-K319 PolarHBondContact O-N 3Å; K319-T322 PolarHBondContact O-N 2.91Å; K319-L323 VanDerWaalsContact O-CB 3.22Å; K319-L323 WeakPolarHBondContact O-CB 3.47Å; K319-L323 PolarHBondContact O-N 2.94Å |
| 320 | M | 88.9 | Confident | 80.6 | Confident | 104 Ų | 104 | 58.4 Ų | 58.4 | 51% | 0.512 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | -176.3 | -67.4 | -59.8 | -71.5 | 0 | 0 | 112.8 | L316 T322 L323 C324 | L316-M320 HydrophobicContact CD1-CG 4.39Å; L316-M320 HydrophobicContact CG-CG 4.46Å; L316-M320 WeakPolarHBondContact O-CB 3.3Å; L316-M320 VanDerWaalsContact O-CG 3.3Å; L316-M320 WeakPolarHBondContact O-CG 3.16Å; L316-M320 PolarHBondContact O-N 2.94Å; M320-T322 PolarHBondContact O-N 3.49Å; M320-L323 PolarHBondContact O-N 3.26Å; M320-C324 WeakPolarHBondContact O-CB 3.03Å; M320-C324 PolarHBondContact O-N 2.72Å; M320-C324 PolarHBondContact O-SG 3.32Å |
| 321 | I | 88.7 | Confident | 82.9 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.087 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 179.2 | -71.4 | 166.5 | 0 | 0 | 0 | 111 | R290 I293 F298 M313 R317 L323 C324 I325 | R290-I321 HydrophobicContact CB-CG2 4.45Å; R290-I321 HydrophobicContact CG-CG2 3.91Å; I293-I321 HydrophobicContact CB-CG2 4.22Å; I293-I321 HydrophobicContact CG2-CD1 4.23Å; I293-I321 HydrophobicContact CG2-CG1 4.33Å; I293-I321 HydrophobicContact CG2-CG2 3.77Å; F298-I321 HydrophobicContact CE2-CD1 4.22Å; M313-I321 HydrophobicContact CE-CB 4.46Å; M313-I321 HydrophobicContact CE-CD1 3.63Å; R317-I321 WeakPolarHBondContact O-CB 3.12Å; R317-I321 WeakPolarHBondContact O-CG1 3.47Å; R317-I321 PolarHBondContact O-N 3.48Å; I321-L323 VanDerWaalsContact C-N 3.34Å; I321-L323 PolarHBondContact O-N 3.13Å; I321-C324 PolarHBondContact O-N 2.88Å; I321-I325 HydrophobicContact CG2-CD1 3.81Å; I321-I325 HydrophobicContact CG2-CG1 4.47Å; I321-I325 WeakPolarHBondContact O-CD1 3.36Å; I321-I325 VanDerWaalsContact O-CG1 3.27Å; I321-I325 WeakPolarHBondContact O-CG1 3.36Å; I321-I325 PolarHBondContact O-N 3.11Å |
| 322 | T | 89.6 | Confident | 85 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 177.5 | -52.5 | 0 | 0 | 0 | 0 | 110.7 | S138 L139 I286 R290 F318 K319 M320 I325 V326 | S138-T322 WeakPolarHBondContact OG-CG2 3.41Å; L139-T322 HydrophobicContact CD1-CG2 4.14Å; I286-T322 HydrophobicContact CD1-CG2 3.87Å; R290-T322 WeakPolarHBondContact CD-OG1 3.43Å; F318-T322 WeakPolarHBondContact O-CB 3.21Å; F318-T322 PolarHBondContact O-N 3.43Å; F318-T322 PolarHBondContact O-OG1 2.86Å; K319-T322 PolarHBondContact O-N 2.91Å; M320-T322 PolarHBondContact O-N 3.49Å; T322-I325 PolarHBondContact O-N 3.27Å; T322-V326 WeakPolarHBondContact O-CG2 3.5Å; T322-V326 PolarHBondContact O-N 2.61Å |
| 323 | L | 90.6 | Very high | 86.9 | Confident | 67 Ų | 67 | 49.2 Ų | 49.2 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 178 | -175.1 | 145.8 | 0 | 0 | 0 | 112.4 | K319 M320 I321 V326 F327 | K319-L323 VanDerWaalsContact O-CB 3.22Å; K319-L323 WeakPolarHBondContact O-CB 3.47Å; K319-L323 PolarHBondContact O-N 2.94Å; M320-L323 PolarHBondContact O-N 3.26Å; I321-L323 VanDerWaalsContact C-N 3.34Å; I321-L323 PolarHBondContact O-N 3.13Å; L323-V326 PolarHBondContact O-N 2.8Å; L323-F327 HydrophobicContact CD1-CE2 4.1Å; L323-F327 HydrophobicContact CD2-CD2 3.63Å; L323-F327 HydrophobicContact CD2-CE2 3.87Å; L323-F327 HydrophobicContact CG-CD2 3.7Å; L323-F327 HydrophobicContact CG-CE2 3.66Å; L323-F327 WeakPolarHBondContact O-CD2 3.28Å; L323-F327 PolarHBondContact O-N 3.46Å |
| 324 | C | 91.8 | Very high | 88.1 | Confident | 78 Ų | 78 | 50.6 Ų | 50.6 | 53% | 0.527 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 174.7 | -69 | 0 | 0 | 0 | 0 | 112.8 | M320 I321 G328 | M320-C324 WeakPolarHBondContact O-CB 3.03Å; M320-C324 PolarHBondContact O-N 2.72Å; M320-C324 PolarHBondContact O-SG 3.32Å; I321-C324 PolarHBondContact O-N 2.88Å; C324-G328 PolarHBondContact O-N 2.8Å |
| 325 | I | 92.5 | Very high | 88.9 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.2 | -47.9 | 176.4 | -63.1 | 158.7 | 0 | 0 | 0 | 110.4 | L91 I286 R290 I293 I321 T322 G328 T329 | L91-I325 HydrophobicContact CD2-CB 4.46Å; L91-I325 HydrophobicContact CD2-CG1 4.39Å; L91-I325 HydrophobicContact CD2-CG2 3.68Å; I286-I325 HydrophobicContact CD1-CB 3.82Å; I286-I325 HydrophobicContact CD1-CD1 4.3Å; I286-I325 HydrophobicContact CD1-CG2 3.61Å; I286-I325 HydrophobicContact CG1-CB 4.18Å; I286-I325 HydrophobicContact CG1-CD1 3.88Å; I286-I325 HydrophobicContact CG1-CG2 3.75Å; R290-I325 HydrophobicContact CB-CD1 4.33Å; I293-I325 HydrophobicContact CD1-CD1 3.66Å; I293-I325 HydrophobicContact CD1-CG1 3.7Å; I321-I325 HydrophobicContact CG2-CD1 3.81Å; I321-I325 HydrophobicContact CG2-CG1 4.47Å; I321-I325 WeakPolarHBondContact O-CD1 3.36Å; I321-I325 VanDerWaalsContact O-CG1 3.27Å; I321-I325 WeakPolarHBondContact O-CG1 3.36Å; I321-I325 PolarHBondContact O-N 3.11Å; T322-I325 PolarHBondContact O-N 3.27Å; I325-G328 PolarHBondContact O-N 3.36Å; I325-T329 HydrophobicContact CG2-CG2 4.26Å; I325-T329 WeakPolarHBondContact O-CB 3.32Å; I325-T329 WeakPolarHBondContact O-CG2 3.4Å; I325-T329 PolarHBondContact O-N 3.12Å; I325-T329 PolarHBondContact O-OG1 3.08Å |
| 326 | V | 92.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.5 | -56.2 | 179.4 | 168 | 0 | 0 | 0 | 0 | 110.5 | L135 F282 I286 T322 L323 G328 T329 M330 | L135-V326 HydrophobicContact CB-CG1 4.33Å; L135-V326 HydrophobicContact CD1-CB 4.41Å; L135-V326 HydrophobicContact CD1-CG1 4.13Å; L135-V326 HydrophobicContact CD1-CG2 4.38Å; F282-V326 HydrophobicContact CE1-CG2 4.49Å; I286-V326 HydrophobicContact CD1-CG2 3.78Å; T322-V326 WeakPolarHBondContact O-CG2 3.5Å; T322-V326 PolarHBondContact O-N 2.61Å; L323-V326 PolarHBondContact O-N 2.8Å; V326-G328 PolarHBondContact O-N 3.2Å; V326-T329 PolarHBondContact O-N 3.2Å; V326-T329 PolarHBondContact O-OG1 2.89Å; V326-M330 WeakPolarHBondContact O-CB 3.43Å; V326-M330 PolarHBondContact O-N 2.87Å |
| 327 | F | 91.7 | Very high | 89.6 | Confident | 77 Ų | 77 | 50 Ų | 50 | 34% | 0.338 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.9 | -35.9 | -179.3 | -74.5 | -60.6 | 0 | 0 | 0 | 113.7 | L131 L323 M330 L331 | L131-F327 HydrophobicContact CD2-CE1 3.79Å; L131-F327 HydrophobicContact CD2-CZ 3.7Å; L323-F327 HydrophobicContact CD1-CE2 4.1Å; L323-F327 HydrophobicContact CD2-CD2 3.63Å; L323-F327 HydrophobicContact CD2-CE2 3.87Å; L323-F327 HydrophobicContact CG-CD2 3.7Å; L323-F327 HydrophobicContact CG-CE2 3.66Å; L323-F327 WeakPolarHBondContact O-CD2 3.28Å; L323-F327 PolarHBondContact O-N 3.46Å; F327-M330 HydrophobicContact CD1-CE 3.84Å; F327-M330 HydrophobicContact CD1-SD 4.08Å; F327-M330 HydrophobicContact CE1-CE 4.39Å; F327-M330 HydrophobicContact CE1-SD 4.41Å; F327-L331 WeakPolarHBondContact O-CB 3.49Å; F327-L331 PolarHBondContact O-N 3.36Å |
| 328 | G | 92.9 | Very high | 90 | Very high | 44 Ų | 44 | 49.3 Ų | 49.3 | 45% | 0.454 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C324 I325 V326 G332 | C324-G328 PolarHBondContact O-N 2.8Å; I325-G328 PolarHBondContact O-N 3.36Å; V326-G328 PolarHBondContact O-N 3.2Å; G328-G332 PolarHBondContact O-N 3.47Å |
| 329 | T | 93.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76.7 | -31.9 | 177.1 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | L91 C94 I95 Y98 I325 V326 G332 G333 | L91-T329 HydrophobicContact CB-CG2 4.21Å; L91-T329 HydrophobicContact CD2-CG2 3.58Å; C94-T329 HydrophobicContact CB-CG2 3.79Å; I95-T329 HydrophobicContact CG1-CG2 3.99Å; Y98-T329 WeakPolarHBondContact CE2-OG1 3.28Å; I325-T329 HydrophobicContact CG2-CG2 4.26Å; I325-T329 WeakPolarHBondContact O-CB 3.32Å; I325-T329 WeakPolarHBondContact O-CG2 3.4Å; I325-T329 PolarHBondContact O-N 3.12Å; I325-T329 PolarHBondContact O-OG1 3.08Å; V326-T329 PolarHBondContact O-N 3.2Å; V326-T329 PolarHBondContact O-OG1 2.89Å; T329-G332 PolarHBondContact O-N 2.97Å; T329-G333 PolarHBondContact O-N 2.82Å |
| 330 | M | 92.3 | Very high | 90.5 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.3 | -48 | 168.7 | -172.5 | -164.6 | 81 | 0 | 0 | 111 | Y98 L126 I127 S130 V326 F327 G332 G333 I334 | Y98-M330 HydrophobicContact CD2-CB 4.35Å; Y98-M330 HydrophobicContact CE1-CB 4.44Å; Y98-M330 HydrophobicContact CE1-CG 4.41Å; Y98-M330 HydrophobicContact CE2-CB 3.86Å; L126-M330 HydrophobicContact CD2-CB 4.31Å; L126-M330 HydrophobicContact CD2-CG 3.35Å; I127-M330 HydrophobicContact CG1-CE 4.16Å; I127-M330 HydrophobicContact CG1-SD 4.17Å; S130-M330 VanDerWaalsContact CB-SD 3.55Å; S130-M330 PolarHBondContact OG-SD 3.05Å; V326-M330 WeakPolarHBondContact O-CB 3.43Å; V326-M330 PolarHBondContact O-N 2.87Å; F327-M330 HydrophobicContact CD1-CE 3.84Å; F327-M330 HydrophobicContact CD1-SD 4.08Å; F327-M330 HydrophobicContact CE1-CE 4.39Å; F327-M330 HydrophobicContact CE1-SD 4.41Å; M330-G332 PolarHBondContact O-N 3.33Å; M330-G333 PolarHBondContact O-N 3.22Å; M330-I334 HydrophobicContact CE-CD1 4.31Å; M330-I334 WeakPolarHBondContact O-CG1 3.47Å; M330-I334 PolarHBondContact O-N 3.02Å; M330-I334 VanDerWaalsContact O-N 3.11Å |
| 331 | L | 93 | Very high | 90.5 | Very high | 94 Ų | 94 | 41 Ų | 41 | 49% | 0.492 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62 | -41.5 | 175.7 | 179.8 | 60.5 | 0 | 0 | 0 | 111.8 | F327 G333 I334 L335 | F327-L331 WeakPolarHBondContact O-CB 3.49Å; F327-L331 PolarHBondContact O-N 3.36Å; L331-G333 VanDerWaalsContact C-N 3.3Å; L331-G333 PolarHBondContact O-N 3Å; L331-I334 PolarHBondContact O-N 2.96Å; L331-I334 VanDerWaalsContact O-N 3.16Å; L331-L335 HydrophobicContact CD1-CD1 4.21Å; L331-L335 HydrophobicContact CD1-CG 4.21Å; L331-L335 HydrophobicContact CG-CD1 3.99Å; L331-L335 HydrophobicContact CG-CG 4.43Å; L331-L335 WeakPolarHBondContact O-CG 3.49Å; L331-L335 PolarHBondContact O-N 3.43Å |
| 332 | G | 91.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.8 | -40.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G328 T329 M330 I334 L335 I336 | G328-G332 PolarHBondContact O-N 3.47Å; T329-G332 PolarHBondContact O-N 2.97Å; M330-G332 PolarHBondContact O-N 3.33Å; G332-I334 VanDerWaalsContact C-N 3.33Å; G332-L335 PolarHBondContact O-N 2.96Å; G332-I336 PolarHBondContact O-N 2.92Å |
| 333 | G | 90.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.3 | -22.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T329 M330 L331 | T329-G333 PolarHBondContact O-N 2.82Å; M330-G333 PolarHBondContact O-N 3.22Å; L331-G333 VanDerWaalsContact C-N 3.3Å; L331-G333 PolarHBondContact O-N 3Å |
| 334 | I | 90.2 | Very high | 90.6 | Very high | 53 Ų | 53 | 37.7 Ų | 37.7 | 27% | 0.272 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -77 | -42.2 | 170 | -65.8 | 166.9 | 0 | 0 | 0 | 110.4 | V123 L126 I127 M330 L331 G332 | V123-I334 HydrophobicContact CG1-CD1 4.1Å; V123-I334 HydrophobicContact CG1-CG1 4.29Å; V123-I334 HydrophobicContact CG1-CG2 4.41Å; V123-I334 HydrophobicContact CG2-CG2 4.2Å; L126-I334 HydrophobicContact CD1-CG1 3.97Å; L126-I334 HydrophobicContact CD2-CG1 4.39Å; I127-I334 HydrophobicContact CG1-CD1 4.35Å; M330-I334 HydrophobicContact CE-CD1 4.31Å; M330-I334 WeakPolarHBondContact O-CG1 3.47Å; M330-I334 PolarHBondContact O-N 3.02Å; M330-I334 VanDerWaalsContact O-N 3.11Å; L331-I334 PolarHBondContact O-N 2.96Å; L331-I334 VanDerWaalsContact O-N 3.16Å; G332-I334 VanDerWaalsContact C-N 3.33Å |
| 335 | L | 89.8 | Confident | 90.5 | Very high | 125 Ų | 125 | 37.3 Ų | 37.3 | 65% | 0.654 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -73.9 | -33.4 | -176.9 | -69.9 | 172.7 | 0 | 0 | 0 | 113.9 | L331 G332 | L331-L335 HydrophobicContact CD1-CD1 4.21Å; L331-L335 HydrophobicContact CD1-CG 4.21Å; L331-L335 HydrophobicContact CG-CD1 3.99Å; L331-L335 HydrophobicContact CG-CG 4.43Å; L331-L335 WeakPolarHBondContact O-CG 3.49Å; L331-L335 PolarHBondContact O-N 3.43Å; G332-L335 PolarHBondContact O-N 2.96Å |
| 336 | I | 87.7 | Confident | 90.4 | Very high | 58 Ų | 58 | 37.5 Ų | 37.5 | 30% | 0.297 | 21% | 0.212 | S | C | . | . | trans | -122.6 | 88.2 | -178.2 | -47.9 | 177.3 | 0 | 0 | 0 | 109.5 | V99 G332 N338 T341 I342 | V99-I336 VanDerWaalsContact CG2-O 3.29Å; V99-I336 WeakPolarHBondContact CG2-O 3.46Å; G332-I336 PolarHBondContact O-N 2.92Å; I336-N338 PolarHBondContact O-N 3.44Å; I336-N338 VanDerWaalsContact O-N 3.09Å; I336-T341 HydrophobicContact CG2-CG2 4.16Å; I336-I342 HydrophobicContact CB-CD1 4.16Å; I336-I342 HydrophobicContact CB-CG1 3.98Å; I336-I342 HydrophobicContact CG2-CD1 4.13Å; I336-I342 HydrophobicContact CG2-CG1 3.71Å; I336-I342 VanDerWaalsContact O-CD1 3.23Å; I336-I342 WeakPolarHBondContact O-CD1 3.21Å | ||
| 337 | P | 83.9 | Confident | 90.4 | Very high | 50 Ų | 50 | 37.7 Ų | 37.7 | 33% | 0.325 | 21% | 0.214 | S | C | . | . | trans | -74.1 | 1.7 | -174.5 | 29.8 | -36.6 | 0 | 0 | 0 | 115 | V99 R122 | V99-P337 WeakPolarHBondContact CG1-O 3.49Å; R122-P337 PolarHBondContact NH2-O 2.98Å | ||
| 338 | N | 88 | Confident | 90.3 | Very high | 91 Ų | 91 | 34 Ų | 34 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | trans | -109.9 | 109 | -173.2 | -69.6 | -60.9 | 0 | 0 | 0 | 111.8 | I336 E340 T341 I342 | I336-N338 PolarHBondContact O-N 3.44Å; I336-N338 VanDerWaalsContact O-N 3.09Å; N338-E340 VanDerWaalsContact C-N 3.31Å; N338-E340 HydrophobicContact CB-CG 4.45Å; N338-E340 PolarHBondContact O-N 2.91Å; N338-T341 PolarHBondContact O-N 3.44Å; N338-I342 PolarHBondContact O-N 3.15Å | ||
| 339 | V | 90 | Very high | 90.2 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58 | -38.8 | -177.8 | 65.2 | 0 | 0 | 0 | 0 | 113.1 | V19 T23 A96 V99 V100 N256 T341 I342 L343 | V19-V339 HydrophobicContact CG2-CG2 4.37Å; T23-V339 HydrophobicContact CG2-CG1 4Å; T23-V339 HydrophobicContact CG2-CG2 4.29Å; A96-V339 HydrophobicContact CB-CG2 4.29Å; V99-V339 HydrophobicContact CG1-CB 4.01Å; V100-V339 HydrophobicContact CG2-CB 4.25Å; V100-V339 HydrophobicContact CG2-CG2 3.86Å; N256-V339 HydrophobicContact CB-CG1 3.94Å; V339-T341 VanDerWaalsContact C-N 3.29Å; V339-T341 PolarHBondContact O-N 3Å; V339-I342 PolarHBondContact O-N 2.91Å; V339-L343 HydrophobicContact CG2-CD1 4Å; V339-L343 HydrophobicContact CG2-CG 4.27Å; V339-L343 WeakPolarHBondContact O-CG 3.31Å; V339-L343 PolarHBondContact O-N 3.23Å |
| 340 | E | 89.9 | Confident | 90.1 | Very high | 28 Ų | 28 | 36.6 Ų | 36.6 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -34.9 | 176.7 | 57.3 | 170.9 | -90.2 | 0 | 0 | 113 | F26 R193 I197 G255 N338 G344 | F26-E340 HydrophobicContact CD1-CB 4.31Å; F26-E340 HydrophobicContact CE1-CB 4.12Å; F26-E340 WeakPolarHBondContact CE2-OE2 3.5Å; F26-E340 WeakPolarHBondContact CZ-OE1 3.39Å; F26-E340 WeakPolarHBondContact CZ-OE2 3.35Å; R193-E340 IonicContact CZ-OE1 3.35Å; R193-E340 IonicContact NE-OE1 2.76Å; R193-E340 PolarHBondContact NE-OE1 3.46Å; R193-E340 IonicContact NH2-OE1 3.19Å; R193-E340 PolarHBondContact NH2-OE1 3.28Å; I197-E340 HydrophobicContact CD1-CB 4.47Å; G255-E340 VanDerWaalsContact CA-OE2 3.23Å; G255-E340 WeakPolarHBondContact CA-OE2 3.47Å; G255-E340 PolarHBondContact N-OE2 2.72Å; N338-E340 VanDerWaalsContact C-N 3.31Å; N338-E340 HydrophobicContact CB-CG 4.45Å; N338-E340 PolarHBondContact O-N 2.91Å; E340-G344 PolarHBondContact O-N 2.97Å |
| 341 | T | 89.2 | Confident | 90 | Very high | 34 Ų | 34 | 35.7 Ų | 35.7 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -75.3 | -38.2 | -179.5 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | I336 N338 V339 L345 | I336-T341 HydrophobicContact CG2-CG2 4.16Å; N338-T341 PolarHBondContact O-N 3.44Å; V339-T341 VanDerWaalsContact C-N 3.29Å; V339-T341 PolarHBondContact O-N 3Å; T341-L345 WeakPolarHBondContact O-CB 3.36Å; T341-L345 PolarHBondContact O-N 3.29Å |
| 342 | I | 91.3 | Very high | 90 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.6 | -48 | 175.9 | -66.5 | 151.4 | 0 | 0 | 0 | 111 | G92 I95 A96 V99 I336 N338 V339 G344 L345 T346 | G92-I342 VanDerWaalsContact O-CG2 3.3Å; G92-I342 WeakPolarHBondContact O-CG2 3.47Å; I95-I342 HydrophobicContact CB-CG2 4.21Å; I95-I342 HydrophobicContact CG2-CD1 3.61Å; I95-I342 HydrophobicContact CG2-CG1 3.91Å; I95-I342 HydrophobicContact CG2-CG2 3.94Å; A96-I342 HydrophobicContact CB-CG2 3.98Å; V99-I342 HydrophobicContact CB-CD1 4.15Å; V99-I342 HydrophobicContact CG2-CD1 3.45Å; V99-I342 VanDerWaalsContact CG2-CD1 3.45Å; I336-I342 HydrophobicContact CB-CD1 4.16Å; I336-I342 HydrophobicContact CB-CG1 3.98Å; I336-I342 HydrophobicContact CG2-CD1 4.13Å; I336-I342 HydrophobicContact CG2-CG1 3.71Å; I336-I342 VanDerWaalsContact O-CD1 3.23Å; I336-I342 WeakPolarHBondContact O-CD1 3.21Å; N338-I342 PolarHBondContact O-N 3.15Å; V339-I342 PolarHBondContact O-N 2.91Å; I342-G344 VanDerWaalsContact C-N 3.33Å; I342-L345 PolarHBondContact O-N 3.49Å; I342-T346 WeakPolarHBondContact O-CB 3.38Å; I342-T346 PolarHBondContact O-N 3.41Å; I342-T346 PolarHBondContact O-OG1 3.17Å |
| 343 | L | 90.5 | Very high | 90 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.9 | -36.5 | 178.6 | -66.6 | -179.7 | 0 | 0 | 0 | 111.5 | V19 T23 A96 I197 M200 V339 G347 | V19-L343 HydrophobicContact CG1-CD1 4.49Å; V19-L343 HydrophobicContact CG1-CD2 4.29Å; T23-L343 HydrophobicContact CG2-CD1 3.73Å; A96-L343 HydrophobicContact CB-CD2 3.83Å; A96-L343 HydrophobicContact CB-CG 4.26Å; I197-L343 HydrophobicContact CG2-CB 4.35Å; M200-L343 HydrophobicContact CG-CD2 4.17Å; V339-L343 HydrophobicContact CG2-CD1 4Å; V339-L343 HydrophobicContact CG2-CG 4.27Å; V339-L343 WeakPolarHBondContact O-CG 3.31Å; V339-L343 PolarHBondContact O-N 3.23Å; L343-G347 WeakPolarHBondContact O-CA 3.26Å; L343-G347 PolarHBondContact O-N 2.93Å |
| 344 | G | 90.1 | Very high | 90 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 6% | 0.062 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.1 | -50.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E340 I342 G347 A348 | E340-G344 PolarHBondContact O-N 2.97Å; I342-G344 VanDerWaalsContact C-N 3.33Å; G344-G347 PolarHBondContact O-N 3.09Å; G344-A348 WeakPolarHBondContact O-CB 3.25Å; G344-A348 PolarHBondContact O-N 2.81Å |
| 345 | L | 89.6 | Confident | 90.1 | Very high | 70 Ų | 70 | 30 Ų | 30 | 37% | 0.366 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.8 | -45.2 | -179.8 | 179.9 | 63.8 | 0 | 0 | 0 | 112.2 | T341 I342 T349 T391 | T341-L345 WeakPolarHBondContact O-CB 3.36Å; T341-L345 PolarHBondContact O-N 3.29Å; I342-L345 PolarHBondContact O-N 3.49Å; L345-T349 HydrophobicContact CD1-CG2 4.39Å; L345-T349 PolarHBondContact O-N 3.4Å; L345-T349 VanDerWaalsContact O-N 3.15Å; L345-T349 PolarHBondContact O-OG1 2.95Å; L345-T391 HydrophobicContact CB-CG2 4.15Å; L345-T391 HydrophobicContact CD1-CG2 3.9Å |
| 346 | T | 91 | Very high | 90.1 | Very high | 12 Ų | 12 | 24.2 Ų | 24.2 | 7% | 0.074 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 177.8 | -51.9 | 0 | 0 | 0 | 0 | 110.2 | G92 M200 I342 M350 G351 | G92-T346 WeakPolarHBondContact CA-OG1 3.11Å; M200-T346 HydrophobicContact CE-CG2 3.92Å; M200-T346 HydrophobicContact SD-CG2 3.92Å; I342-T346 WeakPolarHBondContact O-CB 3.38Å; I342-T346 PolarHBondContact O-N 3.41Å; I342-T346 PolarHBondContact O-OG1 3.17Å; T346-M350 PolarHBondContact O-N 2.98Å; T346-G351 PolarHBondContact O-N 2.94Å |
| 347 | G | 90.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 22 Ų | 22 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -64.2 | -43 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L343 G344 T349 G351 S352 | L343-G347 WeakPolarHBondContact O-CA 3.26Å; L343-G347 PolarHBondContact O-N 2.93Å; G344-G347 PolarHBondContact O-N 3.09Å; G347-T349 PolarHBondContact O-N 3.29Å; G347-G351 CarbonylContact O-C 3.58Å; G347-G351 WeakPolarHBondContact O-CA 3.46Å; G347-S352 PolarHBondContact O-N 3.4Å |
| 348 | A | 90.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -64.2 | -39.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P196 G344 S352 | P196-A348 HydrophobicContact CB-CB 3.95Å; G344-A348 WeakPolarHBondContact O-CB 3.25Å; G344-A348 PolarHBondContact O-N 2.81Å; A348-S352 WeakPolarHBondContact O-CB 3.08Å; A348-S352 PolarHBondContact O-OG 3.37Å |
| 349 | T | 91 | Very high | 91 | Very high | 42 Ų | 42 | 15.5 Ų | 15.5 | 26% | 0.258 | 9% | 0.086 | S | C | . | . | I | π-helix | trans | -95 | -79.9 | -174.2 | 57.7 | 0 | 0 | 0 | 0 | 112.2 | L345 G347 S352 L353 | L345-T349 HydrophobicContact CD1-CG2 4.39Å; L345-T349 PolarHBondContact O-N 3.4Å; L345-T349 VanDerWaalsContact O-N 3.15Å; L345-T349 PolarHBondContact O-OG1 2.95Å; G347-T349 PolarHBondContact O-N 3.29Å; T349-S352 PolarHBondContact O-OG 3.42Å; T349-S352 VanDerWaalsContact O-OG 3.13Å; T349-L353 WeakPolarHBondContact O-CD1 3.44Å; T349-L353 VanDerWaalsContact O-CG 3.32Å; T349-L353 WeakPolarHBondContact O-CG 3.4Å; T349-L353 PolarHBondContact O-N 3.1Å |
| 350 | M | 91.5 | Very high | 91.1 | Very high | 58 Ų | 58 | 15.4 Ų | 15.4 | 29% | 0.286 | 9% | 0.085 | S | C | . | . | I | π-helix | trans | -74.4 | -35.5 | -172.5 | -57.9 | -63.1 | 173.4 | 0 | 0 | 112 | T346 I354 | T346-M350 PolarHBondContact O-N 2.98Å; M350-I354 WeakPolarHBondContact O-CB 3.38Å; M350-I354 WeakPolarHBondContact O-CG2 3.29Å; M350-I354 PolarHBondContact O-N 3.25Å |
| 351 | G | 90.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -59.9 | -58.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | T346 G347 L353 I354 C355 | T346-G351 PolarHBondContact O-N 2.94Å; G347-G351 CarbonylContact O-C 3.58Å; G347-G351 WeakPolarHBondContact O-CA 3.46Å; G351-L353 VanDerWaalsContact C-N 3.26Å; G351-L353 PolarHBondContact O-N 2.77Å; G351-I354 PolarHBondContact O-N 2.88Å; G351-C355 WeakPolarHBondContact O-CA 3.48Å; G351-C355 WeakPolarHBondContact O-CB 3.37Å; G351-C355 PolarHBondContact O-N 3.36Å; G351-C355 PolarHBondContact O-SG 3.39Å |
| 352 | S | 91.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.007 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.4 | -38.5 | 179.9 | 69.5 | 0 | 0 | 0 | 0 | 112.7 | G347 A348 T349 F356 I357 L384 | G347-S352 PolarHBondContact O-N 3.4Å; A348-S352 WeakPolarHBondContact O-CB 3.08Å; A348-S352 PolarHBondContact O-OG 3.37Å; T349-S352 PolarHBondContact O-OG 3.42Å; T349-S352 VanDerWaalsContact O-OG 3.13Å; S352-F356 PolarHBondContact O-N 2.96Å; S352-F356 VanDerWaalsContact O-N 3.1Å; S352-I357 PolarHBondContact O-N 3.25Å; S352-I357 VanDerWaalsContact O-N 3.08Å; S352-L384 WeakPolarHBondContact OG-CB 3.32Å |
| 353 | L | 91.8 | Very high | 91.4 | Very high | 37 Ų | 37 | 16.3 Ų | 16.3 | 19% | 0.194 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -60.2 | -60.6 | 173 | -74.6 | 170.4 | 0 | 0 | 0 | 112.1 | T349 G351 I357 C358 L384 | T349-L353 WeakPolarHBondContact O-CD1 3.44Å; T349-L353 VanDerWaalsContact O-CG 3.32Å; T349-L353 WeakPolarHBondContact O-CG 3.4Å; T349-L353 PolarHBondContact O-N 3.1Å; G351-L353 VanDerWaalsContact C-N 3.26Å; G351-L353 PolarHBondContact O-N 2.77Å; L353-I357 HydrophobicContact CD2-CD1 4.06Å; L353-I357 HydrophobicContact CD2-CG2 4.47Å; L353-I357 PolarHBondContact O-N 3.14Å; L353-C358 WeakPolarHBondContact O-CB 3.17Å; L353-C358 PolarHBondContact O-N 2.66Å; L353-C358 PolarHBondContact O-SG 3.43Å; L353-L384 HydrophobicContact CD2-CD1 3.89Å; L353-L384 HydrophobicContact CG-CD1 3.94Å |
| 354 | I | 91.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -76.2 | -26.7 | -172.6 | -158.9 | 68.6 | 0 | 0 | 0 | 113.3 | Y66 V82 M86 L89 M350 G351 P359 | Y66-I354 HydrophobicContact CD1-CD1 4.17Å; Y66-I354 HydrophobicContact CE1-CD1 3.45Å; Y66-I354 VanDerWaalsContact CE1-CD1 3.45Å; Y66-I354 HydrophobicContact CE1-CG1 3.75Å; Y66-I354 HydrophobicContact CE2-CD1 4.48Å; Y66-I354 PolarHBondContact OH-O 3.49Å; V82-I354 HydrophobicContact CG1-CD1 3.99Å; M86-I354 HydrophobicContact CB-CD1 4.2Å; L89-I354 HydrophobicContact CB-CG2 4.46Å; L89-I354 HydrophobicContact CD1-CG2 3.9Å; L89-I354 HydrophobicContact CD2-CG2 3.95Å; L89-I354 HydrophobicContact CG-CG2 4.33Å; M350-I354 WeakPolarHBondContact O-CB 3.38Å; M350-I354 WeakPolarHBondContact O-CG2 3.29Å; M350-I354 PolarHBondContact O-N 3.25Å; G351-I354 PolarHBondContact O-N 2.88Å; I354-P359 WeakPolarHBondContact O-CG 3.35Å |
| 355 | C | 90.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -91 | -32.2 | -175.7 | -56.9 | 0 | 0 | 0 | 0 | 113.3 | S50 Q205 G351 | S50-C355 WeakPolarHBondContact CB-O 3.32Å; S50-C355 PolarHBondContact OG-O 3.1Å; Q205-C355 PolarHBondContact NE2-O 3.26Å; Q205-C355 PolarHBondContact OE1-SG 3.49Å; Q205-C355 VanDerWaalsContact OE1-SG 3.33Å; G351-C355 WeakPolarHBondContact O-CA 3.48Å; G351-C355 WeakPolarHBondContact O-CB 3.37Å; G351-C355 PolarHBondContact O-N 3.36Å; G351-C355 PolarHBondContact O-SG 3.39Å |
| 356 | F | 91.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -127.2 | -47.3 | -173.5 | -50.3 | -49.6 | 0 | 0 | 0 | 113.5 | M46 S352 A360 V376 I383 | M46-F356 HydrophobicContact CB-CD1 4.12Å; M46-F356 HydrophobicContact CB-CE1 3.68Å; M46-F356 HydrophobicContact CB-CZ 4.37Å; M46-F356 HydrophobicContact CE-CB 4.23Å; M46-F356 HydrophobicContact CE-CD1 3.76Å; M46-F356 HydrophobicContact CE-CD2 4.49Å; M46-F356 HydrophobicContact CE-CE1 4.29Å; M46-F356 HydrophobicContact CE-CG 3.9Å; S352-F356 PolarHBondContact O-N 2.96Å; S352-F356 VanDerWaalsContact O-N 3.1Å; F356-A360 VanDerWaalsContact O-CB 3.31Å; F356-A360 WeakPolarHBondContact O-CB 3.19Å; F356-A360 PolarHBondContact O-N 3.36Å; F356-V376 HydrophobicContact CB-CG1 4.49Å; F356-I383 HydrophobicContact CD2-CD1 4.11Å; F356-I383 HydrophobicContact CE2-CD1 4.02Å |
| 357 | I | 93.4 | Very high | 90.8 | Very high | 13 Ų | 13 | 26.9 Ų | 26.9 | 7% | 0.067 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -74.4 | -56.8 | -171.7 | -63.5 | 166.6 | 0 | 0 | 0 | 111.4 | S352 L353 A360 L361 L377 L384 | S352-I357 PolarHBondContact O-N 3.25Å; S352-I357 VanDerWaalsContact O-N 3.08Å; L353-I357 HydrophobicContact CD2-CD1 4.06Å; L353-I357 HydrophobicContact CD2-CG2 4.47Å; L353-I357 PolarHBondContact O-N 3.14Å; I357-A360 PolarHBondContact O-N 3.01Å; I357-L361 HydrophobicContact CG2-CD1 3.77Å; I357-L361 HydrophobicContact CG2-CG 4.24Å; I357-L361 WeakPolarHBondContact O-CG 3.2Å; I357-L361 PolarHBondContact O-N 2.97Å; I357-L377 HydrophobicContact CB-CD1 4.43Å; I357-L377 HydrophobicContact CG2-CD1 3.93Å; I357-L384 HydrophobicContact CD1-CB 4.12Å; I357-L384 HydrophobicContact CD1-CD1 3.54Å; I357-L384 HydrophobicContact CD1-CG 4.49Å |
| 358 | C | 92.8 | Very high | 89.8 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.9 | -44.5 | -177.8 | -70.5 | 0 | 0 | 0 | 0 | 113.6 | Y66 V82 L353 A360 L361 I362 | Y66-C358 HydrophobicContact CE2-CB 4.38Å; Y66-C358 WeakPolarHBondContact OH-CB 2.99Å; V82-C358 HydrophobicContact CG2-CB 3.89Å; L353-C358 WeakPolarHBondContact O-CB 3.17Å; L353-C358 PolarHBondContact O-N 2.66Å; L353-C358 PolarHBondContact O-SG 3.43Å; C358-A360 VanDerWaalsContact C-N 3.34Å; C358-A360 PolarHBondContact O-N 3.46Å; C358-L361 PolarHBondContact O-N 2.9Å; C358-I362 WeakPolarHBondContact O-CB 3.45Å; C358-I362 WeakPolarHBondContact O-CD1 3.32Å; C358-I362 VanDerWaalsContact O-CG1 3.26Å; C358-I362 WeakPolarHBondContact O-CG1 3.39Å; C358-I362 PolarHBondContact O-N 2.81Å |
| 359 | P | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60 | -42.3 | 175.6 | -26.2 | 37.9 | 0 | 0 | 0 | 112.7 | S50 F53 L54 Y66 I354 Y363 | S50-P359 WeakPolarHBondContact OG-CG 3.2Å; F53-P359 HydrophobicContact CB-CB 4.39Å; L54-P359 HydrophobicContact CD1-CG 4.35Å; L54-P359 HydrophobicContact CD2-CB 4.03Å; L54-P359 HydrophobicContact CD2-CG 4.21Å; L54-P359 HydrophobicContact CG-CB 4.08Å; L54-P359 HydrophobicContact CG-CG 4.28Å; Y66-P359 WeakPolarHBondContact OH-CD 3.44Å; Y66-P359 VanDerWaalsContact OH-CG 3.28Å; Y66-P359 WeakPolarHBondContact OH-CG 2.95Å; I354-P359 WeakPolarHBondContact O-CG 3.35Å; P359-Y363 VanDerWaalsContact O-CB 3.31Å; P359-Y363 WeakPolarHBondContact O-CB 3.38Å; P359-Y363 PolarHBondContact O-N 2.75Å |
| 360 | A | 92.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.3 | -41.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | F356 I357 C358 Y363 R364 S373 V376 L377 | F356-A360 VanDerWaalsContact O-CB 3.31Å; F356-A360 WeakPolarHBondContact O-CB 3.19Å; F356-A360 PolarHBondContact O-N 3.36Å; I357-A360 PolarHBondContact O-N 3.01Å; C358-A360 VanDerWaalsContact C-N 3.34Å; C358-A360 PolarHBondContact O-N 3.46Å; A360-Y363 PolarHBondContact O-N 3.12Å; A360-R364 WeakPolarHBondContact O-CB 3.16Å; A360-R364 PolarHBondContact O-N 2.99Å; A360-S373 PolarHBondContact O-OG 2.93Å; A360-S373 VanDerWaalsContact O-OG 3.09Å; A360-V376 HydrophobicContact CB-CG1 4.24Å; A360-L377 HydrophobicContact CB-CB 3.92Å; A360-L377 HydrophobicContact CB-CD1 4.36Å |
| 361 | L | 92 | Very high | 87.3 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 24% | 0.241 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.5 | -49.4 | 175.1 | -73.4 | 177.4 | 0 | 0 | 0 | 111.7 | Y74 I357 C358 R364 K365 L377 | Y74-L361 HydrophobicContact CE2-CB 3.94Å; Y74-L361 PolarHBondContact OH-O 2.77Å; Y74-L361 VanDerWaalsContact OH-O 3.12Å; I357-L361 HydrophobicContact CG2-CD1 3.77Å; I357-L361 HydrophobicContact CG2-CG 4.24Å; I357-L361 WeakPolarHBondContact O-CG 3.2Å; I357-L361 PolarHBondContact O-N 2.97Å; C358-L361 PolarHBondContact O-N 2.9Å; L361-R364 PolarHBondContact O-N 3.44Å; L361-K365 VanDerWaalsContact O-CB 3.28Å; L361-K365 WeakPolarHBondContact O-CB 3.49Å; L361-K365 PolarHBondContact O-N 3.24Å; L361-L377 HydrophobicContact CD2-CD1 3.8Å; L361-L377 HydrophobicContact CD2-CD2 3.88Å; L361-L377 HydrophobicContact CG-CD1 3.81Å |
| 362 | I | 91.6 | Very high | 87.1 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61 | -47.6 | 179.7 | -68.6 | 167.9 | 0 | 0 | 0 | 110.6 | T57 Y66 L69 A70 A73 V82 C358 K365 I366 | T57-I362 HydrophobicContact CG2-CG2 4.22Å; Y66-I362 HydrophobicContact CD2-CD1 4.17Å; Y66-I362 HydrophobicContact CE2-CD1 3.81Å; L69-I362 HydrophobicContact CB-CG2 4.18Å; A70-I362 HydrophobicContact CB-CD1 3.84Å; A73-I362 HydrophobicContact CB-CB 4.45Å; A73-I362 HydrophobicContact CB-CG1 4.23Å; A73-I362 HydrophobicContact CB-CG2 4.3Å; V82-I362 HydrophobicContact CG2-CD1 4.49Å; C358-I362 WeakPolarHBondContact O-CB 3.45Å; C358-I362 WeakPolarHBondContact O-CD1 3.32Å; C358-I362 VanDerWaalsContact O-CG1 3.26Å; C358-I362 WeakPolarHBondContact O-CG1 3.39Å; C358-I362 PolarHBondContact O-N 2.81Å; I362-K365 PolarHBondContact O-N 3.25Å; I362-I366 HydrophobicContact CG2-CD1 3.68Å; I362-I366 WeakPolarHBondContact O-CG1 3.19Å; I362-I366 PolarHBondContact O-N 3.46Å |
| 363 | Y | 91.8 | Very high | 86.9 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.9 | -48.6 | 178.8 | -177.4 | -86.3 | 0 | 0 | 0 | 112.9 | F53 H56 T57 P359 A360 K365 I366 Q367 | F53-Y363 HydrophobicContact CB-CD2 3.95Å; F53-Y363 HydrophobicContact CB-CG 4.01Å; F53-Y363 AromaticContact CD1-CD1 3.83Å; F53-Y363 HydrophobicContact CD1-CD1 3.83Å; F53-Y363 AromaticContact CD1-CD2 3.56Å; F53-Y363 HydrophobicContact CD1-CD2 3.56Å; F53-Y363 HydrophobicContact CD1-CE1 4.1Å; F53-Y363 AromaticContact CD1-CE2 3.87Å; F53-Y363 HydrophobicContact CD1-CE2 3.87Å; F53-Y363 AromaticContact CD1-CG 3.56Å; F53-Y363 HydrophobicContact CD1-CG 3.56Å; F53-Y363 HydrophobicContact CE1-CD1 4.01Å; F53-Y363 HydrophobicContact CE1-CD2 4.44Å; F53-Y363 HydrophobicContact CE1-CE1 4.05Å; F53-Y363 HydrophobicContact CE1-CE2 4.5Å; F53-Y363 HydrophobicContact CE1-CG 4.22Å; F53-Y363 HydrophobicContact CG-CD1 4.4Å; F53-Y363 HydrophobicContact CG-CD2 4.04Å; F53-Y363 AromaticContact CG-CG 3.86Å; F53-Y363 HydrophobicContact CG-CG 3.86Å; H56-Y363 HydrophobicContact CB-CE2 4.1Å; T57-Y363 HydrophobicContact CG2-CD2 4Å; P359-Y363 VanDerWaalsContact O-CB 3.31Å; P359-Y363 WeakPolarHBondContact O-CB 3.38Å; P359-Y363 PolarHBondContact O-N 2.75Å; A360-Y363 PolarHBondContact O-N 3.12Å; Y363-K365 VanDerWaalsContact C-N 3.27Å; Y363-K365 PolarHBondContact O-N 3.34Å; Y363-I366 PolarHBondContact O-N 3.28Å; Y363-Q367 HydrophobicContact CD2-CG 4.31Å; Y363-Q367 HydrophobicContact CE1-CB 4.3Å; Y363-Q367 HydrophobicContact CE2-CB 4.28Å; Y363-Q367 HydrophobicContact CE2-CG 3.98Å; Y363-Q367 PolarHBondContact O-N 2.95Å; Y363-Q367 PolarHBondContact OH-OE1 2.92Å |
| 364 | R | 90.4 | Very high | 86.8 | Confident | 108 Ų | 108 | 53.2 Ų | 53.2 | 41% | 0.408 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.9 | -38.5 | 178 | -175 | 177.1 | 179.5 | -177.5 | 1.7 | 111.9 | A360 L361 K368 | A360-R364 WeakPolarHBondContact O-CB 3.16Å; A360-R364 PolarHBondContact O-N 2.99Å; L361-R364 PolarHBondContact O-N 3.44Å; R364-K368 VanDerWaalsContact O-CA 3.31Å; R364-K368 WeakPolarHBondContact O-CA 3.47Å; R364-K368 PolarHBondContact O-N 2.76Å |
| 365 | K | 89.3 | Confident | 86.7 | Confident | 116 Ų | 116 | 57.6 Ų | 57.6 | 50% | 0.504 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70.5 | -38.9 | 179.3 | -175.5 | 63.8 | 172.5 | -173.5 | 0 | 113 | A73 Y74 L361 I362 Y363 | A73-K365 HydrophobicContact CB-CB 4.28Å; A73-K365 HydrophobicContact CB-CG 4.06Å; A73-K365 VanDerWaalsContact O-CE 3.23Å; A73-K365 WeakPolarHBondContact O-CE 3.28Å; A73-K365 WeakPolarHBondContact O-CG 3.39Å; Y74-K365 HydrophobicContact CE1-CD 4.41Å; Y74-K365 HydrophobicContact CE1-CG 4.49Å; Y74-K365 HydrophobicContact CE2-CB 3.89Å; Y74-K365 HydrophobicContact CE2-CG 4.11Å; L361-K365 VanDerWaalsContact O-CB 3.28Å; L361-K365 WeakPolarHBondContact O-CB 3.49Å; L361-K365 PolarHBondContact O-N 3.24Å; I362-K365 PolarHBondContact O-N 3.25Å; Y363-K365 VanDerWaalsContact C-N 3.27Å; Y363-K365 PolarHBondContact O-N 3.34Å |
| 366 | I | 88 | Confident | 86.6 | Confident | 41 Ų | 41 | 57.7 Ų | 57.7 | 21% | 0.21 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -84 | -51 | -176.1 | -67.1 | 166.9 | 0 | 0 | 0 | 111.9 | T57 T61 A73 I362 Y363 | T57-I366 HydrophobicContact CG2-CB 4.17Å; T57-I366 HydrophobicContact CG2-CD1 3.83Å; T57-I366 HydrophobicContact CG2-CG2 4.33Å; T61-I366 HydrophobicContact CG2-CD1 3.9Å; T61-I366 HydrophobicContact CG2-CG2 4.14Å; A73-I366 HydrophobicContact CB-CD1 4.3Å; A73-I366 HydrophobicContact CB-CG1 4.33Å; I362-I366 HydrophobicContact CG2-CD1 3.68Å; I362-I366 WeakPolarHBondContact O-CG1 3.19Å; I362-I366 PolarHBondContact O-N 3.46Å; Y363-I366 PolarHBondContact O-N 3.28Å |
| 367 | Q | 81.8 | Confident | 86.6 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 22% | 0.22 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -92.7 | -7.8 | -172.5 | -58.6 | -158.1 | -0.3 | 0 | 0 | 113.9 | H56 N60 Y363 N369 | H56-Q367 PolarHBondContact O-NE2 3.48Å; N60-Q367 PolarHBondContact ND2-NE2 3.33Å; N60-Q367 VanDerWaalsContact ND2-NE2 3.18Å; Y363-Q367 HydrophobicContact CD2-CG 4.31Å; Y363-Q367 HydrophobicContact CE1-CB 4.3Å; Y363-Q367 HydrophobicContact CE2-CB 4.28Å; Y363-Q367 HydrophobicContact CE2-CG 3.98Å; Y363-Q367 PolarHBondContact O-N 2.95Å; Y363-Q367 PolarHBondContact OH-OE1 2.92Å; Q367-N369 PolarHBondContact O-N 3.28Å |
| 368 | K | 68.8 | Low | 86.5 | Confident | 178 Ų | 178 | 61.8 Ų | 61.8 | 77% | 0.774 | 31% | 0.305 | S | S | * | . | trans | 59.7 | -31.4 | 177.3 | -65.8 | -176.4 | 178.6 | 177.6 | 0 | 117.2 | R364 | R364-K368 VanDerWaalsContact O-CA 3.31Å; R364-K368 WeakPolarHBondContact O-CA 3.47Å; R364-K368 PolarHBondContact O-N 2.76Å | ||
| 369 | N | 63.6 | Low | 86.4 | Confident | 134 Ų | 134 | 63.5 Ų | 63.5 | 72% | 0.717 | 32% | 0.315 | S | S | * | . | trans | -104.1 | 138.2 | 179.5 | -71.4 | -17.5 | 0 | 0 | 0 | 111.1 | Q367 | Q367-N369 PolarHBondContact O-N 3.28Š| ||
| 370 | G | 71.5 | Confident | 86.2 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | trans | 156.1 | 87.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | I372 S373 Q374 | G370-I372 PolarHBondContact O-N 2.9Å; G370-S373 WeakPolarHBondContact O-CB 3.19Å; G370-S373 PolarHBondContact O-N 3.46Å; G370-Q374 PolarHBondContact O-N 3.41Å; G370-Q374 VanDerWaalsContact O-N 3.09Å | ||
| 371 | F | 85.4 | Confident | 86.1 | Confident | 174 Ų | 174 | 67.7 Ų | 67.7 | 76% | 0.763 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -52.7 | -40.4 | 168.2 | 178.1 | -96.8 | 0 | 0 | 0 | 111.5 | S373 Q374 L375 | F371-S373 VanDerWaalsContact C-N 3.31Å; F371-S373 PolarHBondContact O-N 2.85Å; F371-Q374 PolarHBondContact O-N 2.72Å; F371-L375 WeakPolarHBondContact O-CB 3.43Å; F371-L375 PolarHBondContact O-N 2.87Å |
| 372 | I | 87 | Confident | 86 | Confident | 88 Ų | 88 | 66.7 Ų | 66.7 | 45% | 0.451 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 175.5 | -51.8 | 175 | 0 | 0 | 0 | 111.6 | K49 F53 G370 L375 V376 | K49-I372 HydrophobicContact CG-CG2 4.45Å; F53-I372 HydrophobicContact CZ-CG2 4.2Å; G370-I372 PolarHBondContact O-N 2.9Å; I372-L375 PolarHBondContact O-N 3.13Å; I372-V376 HydrophobicContact CG2-CG2 4.48Å; I372-V376 WeakPolarHBondContact O-CB 3.46Å; I372-V376 VanDerWaalsContact O-CG2 3.28Å; I372-V376 WeakPolarHBondContact O-CG2 3.21Å; I372-V376 PolarHBondContact O-N 2.65Å |
| 373 | S | 87.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.1 | -40.1 | 177.5 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | A360 G370 F371 V376 L377 | A360-S373 PolarHBondContact O-OG 2.93Å; A360-S373 VanDerWaalsContact O-OG 3.09Å; G370-S373 WeakPolarHBondContact O-CB 3.19Å; G370-S373 PolarHBondContact O-N 3.46Å; F371-S373 VanDerWaalsContact C-N 3.31Å; F371-S373 PolarHBondContact O-N 2.85Å; S373-V376 PolarHBondContact O-N 3.49Å; S373-L377 WeakPolarHBondContact O-CB 3.44Å; S373-L377 PolarHBondContact O-N 3.36Å |
| 374 | Q | 89 | Confident | 85.6 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 41% | 0.411 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.1 | -37 | 172.7 | -174.5 | 162.7 | -41.1 | 0 | 0 | 112.3 | G370 F371 L377 C378 | G370-Q374 PolarHBondContact O-N 3.41Å; G370-Q374 VanDerWaalsContact O-N 3.09Å; F371-Q374 PolarHBondContact O-N 2.72Å; Q374-L377 PolarHBondContact O-N 3.43Å; Q374-C378 WeakPolarHBondContact O-CB 3.35Å; Q374-C378 PolarHBondContact O-N 3.49Å; Q374-C378 PolarHBondContact O-SG 3.26Å |
| 375 | L | 89.8 | Confident | 85.5 | Confident | 93 Ų | 93 | 67.1 Ų | 67.1 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.3 | -51.4 | 173.4 | -175.2 | 71.7 | 0 | 0 | 0 | 111.4 | F371 I372 L377 C378 V379 | F371-L375 WeakPolarHBondContact O-CB 3.43Å; F371-L375 PolarHBondContact O-N 2.87Å; I372-L375 PolarHBondContact O-N 3.13Å; L375-L377 VanDerWaalsContact C-N 3.27Å; L375-L377 PolarHBondContact O-N 3Å; L375-C378 PolarHBondContact O-N 2.98Å; L375-V379 WeakPolarHBondContact O-CB 3.19Å; L375-V379 VanDerWaalsContact O-CG2 3.31Å; L375-V379 WeakPolarHBondContact O-CG2 3.44Å; L375-V379 PolarHBondContact O-N 3.15Å |
| 376 | V | 89.7 | Confident | 85.2 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.018 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.7 | -36.4 | 177.3 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | M46 K49 F53 F356 A360 I372 S373 G380 | M46-V376 HydrophobicContact CE-CB 4.4Å; M46-V376 HydrophobicContact CE-CG1 3.9Å; M46-V376 HydrophobicContact CE-CG2 4.48Å; M46-V376 HydrophobicContact SD-CB 4.49Å; M46-V376 HydrophobicContact SD-CG1 4.42Å; M46-V376 HydrophobicContact SD-CG2 3.96Å; K49-V376 HydrophobicContact CB-CG2 4.32Å; F53-V376 HydrophobicContact CE2-CB 4.02Å; F53-V376 HydrophobicContact CE2-CG1 4.11Å; F53-V376 HydrophobicContact CE2-CG2 4.05Å; F53-V376 HydrophobicContact CZ-CG2 4.44Å; F356-V376 HydrophobicContact CB-CG1 4.49Å; A360-V376 HydrophobicContact CB-CG1 4.24Å; I372-V376 HydrophobicContact CG2-CG2 4.48Å; I372-V376 WeakPolarHBondContact O-CB 3.46Å; I372-V376 VanDerWaalsContact O-CG2 3.28Å; I372-V376 WeakPolarHBondContact O-CG2 3.21Å; I372-V376 PolarHBondContact O-N 2.65Å; S373-V376 PolarHBondContact O-N 3.49Å; V376-G380 PolarHBondContact O-N 3.28Å |
| 377 | L | 91.7 | Very high | 84.9 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 13% | 0.131 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.8 | -48.5 | 174.5 | -177.6 | 64.6 | 0 | 0 | 0 | 112.3 | I357 A360 L361 S373 Q374 L375 G380 L381 | I357-L377 HydrophobicContact CB-CD1 4.43Å; I357-L377 HydrophobicContact CG2-CD1 3.93Å; A360-L377 HydrophobicContact CB-CB 3.92Å; A360-L377 HydrophobicContact CB-CD1 4.36Å; L361-L377 HydrophobicContact CD2-CD1 3.8Å; L361-L377 HydrophobicContact CD2-CD2 3.88Å; L361-L377 HydrophobicContact CG-CD1 3.81Å; S373-L377 WeakPolarHBondContact O-CB 3.44Å; S373-L377 PolarHBondContact O-N 3.36Å; Q374-L377 PolarHBondContact O-N 3.43Å; L375-L377 VanDerWaalsContact C-N 3.27Å; L375-L377 PolarHBondContact O-N 3Å; L377-G380 PolarHBondContact O-N 2.82Å; L377-L381 WeakPolarHBondContact O-CB 3.45Å; L377-L381 PolarHBondContact O-N 3.23Å |
| 378 | C | 91.3 | Very high | 84.9 | Confident | 78 Ų | 78 | 63 Ų | 63 | 53% | 0.527 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 178.9 | -71.7 | 0 | 0 | 0 | 0 | 111.8 | Q374 L375 G382 | Q374-C378 WeakPolarHBondContact O-CB 3.35Å; Q374-C378 PolarHBondContact O-N 3.49Å; Q374-C378 PolarHBondContact O-SG 3.26Å; L375-C378 PolarHBondContact O-N 2.98Å; C378-G382 PolarHBondContact O-N 3.5Å |
| 379 | V | 89.8 | Confident | 85.6 | Confident | 39 Ų | 39 | 61.5 Ų | 61.5 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 172.6 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | F42 M46 L375 L381 G382 I383 | F42-V379 HydrophobicContact CE1-CG1 4.13Å; F42-V379 HydrophobicContact CZ-CG1 3.69Å; M46-V379 HydrophobicContact CE-CB 3.93Å; M46-V379 HydrophobicContact CE-CG1 3.44Å; M46-V379 VanDerWaalsContact CE-CG1 3.44Å; M46-V379 HydrophobicContact SD-CB 4.38Å; M46-V379 HydrophobicContact SD-CG1 3.93Å; L375-V379 WeakPolarHBondContact O-CB 3.19Å; L375-V379 VanDerWaalsContact O-CG2 3.31Å; L375-V379 WeakPolarHBondContact O-CG2 3.44Å; L375-V379 PolarHBondContact O-N 3.15Å; V379-L381 VanDerWaalsContact C-N 3.33Å; V379-L381 PolarHBondContact O-N 3.22Å; V379-G382 PolarHBondContact O-N 3.03Å; V379-G382 VanDerWaalsContact O-N 3.17Å; V379-I383 HydrophobicContact CG1-CD1 3.81Å; V379-I383 HydrophobicContact CG1-CG1 4.33Å; V379-I383 VanDerWaalsContact O-CG1 3.29Å; V379-I383 WeakPolarHBondContact O-CG1 3.46Å; V379-I383 PolarHBondContact O-N 3.42Å |
| 380 | G | 88.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.4 | -40 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | V376 L377 L384 | V376-G380 PolarHBondContact O-N 3.28Å; L377-G380 PolarHBondContact O-N 2.82Å; G380-L384 PolarHBondContact O-N 3.39Å |
| 381 | L | 90.6 | Very high | 86.4 | Confident | 88 Ų | 88 | 55.5 Ų | 55.5 | 46% | 0.461 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68 | -41.1 | 173.8 | -170.3 | 73.2 | 0 | 0 | 0 | 111.9 | L377 V379 L384 L385 | L377-L381 WeakPolarHBondContact O-CB 3.45Å; L377-L381 PolarHBondContact O-N 3.23Å; V379-L381 VanDerWaalsContact C-N 3.33Å; V379-L381 PolarHBondContact O-N 3.22Å; L381-L384 PolarHBondContact O-N 3.24Å; L381-L385 HydrophobicContact CG-CD1 4.16Å; L381-L385 WeakPolarHBondContact O-CG 3.45Å; L381-L385 PolarHBondContact O-N 2.96Å |
| 382 | G | 88.3 | Confident | 85.8 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 26% | 0.258 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C378 V379 L385 I386 | C378-G382 PolarHBondContact O-N 3.5Å; V379-G382 PolarHBondContact O-N 3.03Å; V379-G382 VanDerWaalsContact O-N 3.17Å; G382-L385 PolarHBondContact O-N 2.7Å; G382-I386 VanDerWaalsContact O-CB 3.31Å; G382-I386 WeakPolarHBondContact O-CB 3.26Å; G382-I386 WeakPolarHBondContact O-CD1 3.45Å; G382-I386 WeakPolarHBondContact O-CG1 3.48Å; G382-I386 PolarHBondContact O-N 3.49Å |
| 383 | I | 86.9 | Confident | 85.2 | Confident | 17 Ų | 17 | 50.2 Ų | 50.2 | 9% | 0.087 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.4 | -52.4 | 171.4 | -70.1 | 170.8 | 0 | 0 | 0 | 109.8 | I195 F356 V379 L385 S387 | I195-I383 HydrophobicContact CG2-CB 4.24Å; I195-I383 HydrophobicContact CG2-CD1 4.24Å; I195-I383 HydrophobicContact CG2-CG1 3.77Å; I195-I383 HydrophobicContact CG2-CG2 3.7Å; F356-I383 HydrophobicContact CD2-CD1 4.11Å; F356-I383 HydrophobicContact CE2-CD1 4.02Å; V379-I383 HydrophobicContact CG1-CD1 3.81Å; V379-I383 HydrophobicContact CG1-CG1 4.33Å; V379-I383 VanDerWaalsContact O-CG1 3.29Å; V379-I383 WeakPolarHBondContact O-CG1 3.46Å; V379-I383 PolarHBondContact O-N 3.42Å; I383-L385 PolarHBondContact O-N 2.91Å; I383-S387 WeakPolarHBondContact O-CB 3.24Å; I383-S387 PolarHBondContact O-N 3.34Å; I383-S387 PolarHBondContact O-OG 3.24Å; I383-S387 VanDerWaalsContact O-OG 3.11Å |
| 384 | L | 88.3 | Confident | 84.1 | Confident | 35 Ų | 35 | 53.3 Ų | 53.3 | 18% | 0.183 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55 | -52.8 | 179.5 | -172.9 | 158.9 | 0 | 0 | 0 | 111.6 | S352 L353 I357 G380 L381 T388 | S352-L384 WeakPolarHBondContact OG-CB 3.32Å; L353-L384 HydrophobicContact CD2-CD1 3.89Å; L353-L384 HydrophobicContact CG-CD1 3.94Å; I357-L384 HydrophobicContact CD1-CB 4.12Å; I357-L384 HydrophobicContact CD1-CD1 3.54Å; I357-L384 HydrophobicContact CD1-CG 4.49Å; G380-L384 PolarHBondContact O-N 3.39Å; L381-L384 PolarHBondContact O-N 3.24Å; L384-T388 WeakPolarHBondContact O-CB 3.28Å; L384-T388 PolarHBondContact O-N 2.86Å; L384-T388 PolarHBondContact O-OG1 3.47Å |
| 385 | L | 88.2 | Confident | 82.5 | Confident | 106 Ų | 106 | 52.4 Ų | 52.4 | 56% | 0.555 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.2 | -50.8 | -176.1 | -68.7 | 172.3 | 0 | 0 | 0 | 112 | L381 G382 I383 F389 | L381-L385 HydrophobicContact CG-CD1 4.16Å; L381-L385 WeakPolarHBondContact O-CG 3.45Å; L381-L385 PolarHBondContact O-N 2.96Å; G382-L385 PolarHBondContact O-N 2.7Å; I383-L385 PolarHBondContact O-N 2.91Å; L385-F389 WeakPolarHBondContact O-CB 3.28Å; L385-F389 PolarHBondContact O-N 3.36Å |
| 386 | I | 84.2 | Confident | 80.7 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 40% | 0.395 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.4 | -40.3 | -175.1 | -58.8 | 165.4 | 0 | 0 | 0 | 110.8 | F192 G382 F389 T390 | F192-I386 HydrophobicContact CB-CG2 4.03Å; F192-I386 HydrophobicContact CD1-CG2 3.36Å; F192-I386 HydrophobicContact CE1-CG2 3.93Å; F192-I386 HydrophobicContact CG-CG2 3.75Å; G382-I386 VanDerWaalsContact O-CB 3.31Å; G382-I386 WeakPolarHBondContact O-CB 3.26Å; G382-I386 WeakPolarHBondContact O-CD1 3.45Å; G382-I386 WeakPolarHBondContact O-CG1 3.48Å; G382-I386 PolarHBondContact O-N 3.49Å; I386-F389 PolarHBondContact O-N 3.33Å; I386-T390 VanDerWaalsContact O-CB 3.32Å; I386-T390 WeakPolarHBondContact O-CB 3.48Å; I386-T390 PolarHBondContact O-N 3.04Å; I386-T390 PolarHBondContact O-OG1 2.93Å |
| 387 | S | 80.6 | Confident | 78.3 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -73 | -33.4 | 177.6 | -62.1 | 0 | 0 | 0 | 0 | 112.8 | F192 P196 I383 T391 | F192-S387 PolarHBondContact O-OG 3.44Å; P196-S387 WeakPolarHBondContact CD-OG 3.2Å; I383-S387 WeakPolarHBondContact O-CB 3.24Å; I383-S387 PolarHBondContact O-N 3.34Å; I383-S387 PolarHBondContact O-OG 3.24Å; I383-S387 VanDerWaalsContact O-OG 3.11Å; S387-T391 VanDerWaalsContact O-CB 3.27Å; S387-T391 WeakPolarHBondContact O-CB 3.38Å; S387-T391 PolarHBondContact O-N 2.98Å; S387-T391 PolarHBondContact O-OG1 3.41Å |
| 388 | T | 82.4 | Confident | 75.4 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 25% | 0.252 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.8 | -47.8 | 171.2 | -62.2 | 0 | 0 | 0 | 0 | 110.4 | L384 T390 T391 L392 | L384-T388 WeakPolarHBondContact O-CB 3.28Å; L384-T388 PolarHBondContact O-N 2.86Å; L384-T388 PolarHBondContact O-OG1 3.47Å; T388-T390 PolarHBondContact O-N 2.86Å; T388-T391 PolarHBondContact O-N 2.92Å; T388-L392 HydrophobicContact CG2-CD1 3.9Å; T388-L392 HydrophobicContact CG2-CG 4.42Å; T388-L392 WeakPolarHBondContact O-CG 3.37Å; T388-L392 PolarHBondContact O-N 3.48Å |
| 389 | F | 84.2 | Confident | 72.8 | Confident | 145 Ų | 145 | 62.8 Ų | 62.8 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -56.4 | -50.8 | 174.8 | -179.2 | -98.5 | 0 | 0 | 0 | 111.4 | L385 I386 T391 L392 S393 | L385-F389 WeakPolarHBondContact O-CB 3.28Å; L385-F389 PolarHBondContact O-N 3.36Å; I386-F389 PolarHBondContact O-N 3.33Å; F389-T391 VanDerWaalsContact C-N 3.35Å; F389-T391 PolarHBondContact O-N 2.95Å; F389-L392 PolarHBondContact O-N 2.72Å; F389-S393 WeakPolarHBondContact O-CB 3.26Å; F389-S393 PolarHBondContact O-N 2.83Å; F389-S393 PolarHBondContact O-OG 3.26Å |
| 390 | T | 78.6 | Confident | 69.7 | Low | 27 Ų | 27 | 66.3 Ų | 66.3 | 17% | 0.166 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 179.7 | -54.9 | 0 | 0 | 0 | 0 | 112.4 | F192 I386 T388 V394 | F192-T390 HydrophobicContact CB-CG2 4.1Å; F192-T390 WeakPolarHBondContact CB-OG1 3.38Å; I386-T390 VanDerWaalsContact O-CB 3.32Å; I386-T390 WeakPolarHBondContact O-CB 3.48Å; I386-T390 PolarHBondContact O-N 3.04Å; I386-T390 PolarHBondContact O-OG1 2.93Å; T388-T390 PolarHBondContact O-N 2.86Å; T390-V394 WeakPolarHBondContact O-CG2 3.09Å; T390-V394 PolarHBondContact O-N 3.19Å; T390-V394 VanDerWaalsContact O-N 3.11Å |
| 391 | T | 72.6 | Confident | 66.9 | Low | 16 Ų | 16 | 76.7 Ų | 76.7 | 10% | 0.098 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.4 | -46.2 | 179.9 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | L345 S387 T388 F389 V394 S395 | L345-T391 HydrophobicContact CB-CG2 4.15Å; L345-T391 HydrophobicContact CD1-CG2 3.9Å; S387-T391 VanDerWaalsContact O-CB 3.27Å; S387-T391 WeakPolarHBondContact O-CB 3.38Å; S387-T391 PolarHBondContact O-N 2.98Å; S387-T391 PolarHBondContact O-OG1 3.41Å; T388-T391 PolarHBondContact O-N 2.92Å; F389-T391 VanDerWaalsContact C-N 3.35Å; F389-T391 PolarHBondContact O-N 2.95Å; T391-V394 PolarHBondContact O-N 2.86Å; T391-S395 PolarHBondContact O-N 2.98Å; T391-S395 PolarHBondContact O-OG 3.49Å |
| 392 | L | 73.3 | Confident | 63.9 | Low | 107 Ų | 107 | 81.9 Ų | 81.9 | 56% | 0.56 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.3 | -44.6 | 176.9 | -68.1 | 172.2 | 0 | 0 | 0 | 111.6 | T388 F389 V394 S395 T396 | T388-L392 HydrophobicContact CG2-CD1 3.9Å; T388-L392 HydrophobicContact CG2-CG 4.42Å; T388-L392 WeakPolarHBondContact O-CG 3.37Å; T388-L392 PolarHBondContact O-N 3.48Å; F389-L392 PolarHBondContact O-N 2.72Å; L392-V394 VanDerWaalsContact C-N 3.31Å; L392-V394 PolarHBondContact O-N 3.23Å; L392-S395 PolarHBondContact O-N 2.92Å; L392-S395 VanDerWaalsContact O-N 3.15Å; L392-T396 PolarHBondContact O-N 3.48Å; L392-T396 PolarHBondContact O-OG1 3.13Å |
| 393 | S | 73.6 | Confident | 61.2 | Low | 44 Ų | 44 | 86.7 Ų | 86.7 | 31% | 0.308 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60 | -38.1 | 177.7 | -62 | 0 | 0 | 0 | 0 | 112.7 | F389 T396 S397 | F389-S393 WeakPolarHBondContact O-CB 3.26Å; F389-S393 PolarHBondContact O-N 2.83Å; F389-S393 PolarHBondContact O-OG 3.26Å; S393-T396 WeakPolarHBondContact CA-OG1 3.44Å; S393-T396 PolarHBondContact O-OG1 3.24Å; S393-S397 PolarHBondContact O-N 3.03Å; S393-S397 PolarHBondContact O-OG 3.47Å |
| 394 | V | 64.9 | Low | 58.6 | Low | 64 Ų | 64 | 91.4 Ų | 91.4 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -75.3 | -35 | 175 | 178.5 | 0 | 0 | 0 | 0 | 112 | T390 T391 L392 T396 S397 S398 | T390-V394 WeakPolarHBondContact O-CG2 3.09Å; T390-V394 PolarHBondContact O-N 3.19Å; T390-V394 VanDerWaalsContact O-N 3.11Å; T391-V394 PolarHBondContact O-N 2.86Å; L392-V394 VanDerWaalsContact C-N 3.31Å; L392-V394 PolarHBondContact O-N 3.23Å; V394-T396 PolarHBondContact O-N 2.68Å; V394-S397 PolarHBondContact O-N 3.28Å; V394-S398 PolarHBondContact O-N 3.42Å |
| 395 | S | 54.3 | Low | 56 | Low | 69 Ų | 69 | 94 Ų | 94 | 48% | 0.483 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -28.2 | 173 | -72.8 | 0 | 0 | 0 | 0 | 113.2 | T391 L392 S397 S398 | T391-S395 PolarHBondContact O-N 2.98Å; T391-S395 PolarHBondContact O-OG 3.49Å; L392-S395 PolarHBondContact O-N 2.92Å; L392-S395 VanDerWaalsContact O-N 3.15Å; S395-S397 VanDerWaalsContact C-N 3.31Å; S395-S398 PolarHBondContact O-OG 3.11Å |
| 396 | T | 52.3 | Low | 53.7 | Low | 121 Ų | 121 | 94.4 Ų | 94.4 | 74% | 0.742 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -10.2 | 170 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | L392 S393 V394 | L392-T396 PolarHBondContact O-N 3.48Å; L392-T396 PolarHBondContact O-OG1 3.13Å; S393-T396 WeakPolarHBondContact CA-OG1 3.44Å; S393-T396 PolarHBondContact O-OG1 3.24Å; V394-T396 PolarHBondContact O-N 2.68Å |
| 397 | S | 38.7 | Very low | 51.8 | Low | 89 Ų | 89 | 96.2 Ų | 96.2 | 62% | 0.622 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -105.1 | -1.1 | -174 | -61 | 0 | 0 | 0 | 0 | 115 | S393 V394 S395 P399 | S393-S397 PolarHBondContact O-N 3.03Å; S393-S397 PolarHBondContact O-OG 3.47Å; V394-S397 PolarHBondContact O-N 3.28Å; S395-S397 VanDerWaalsContact C-N 3.31Å; S397-P399 WeakPolarHBondContact O-CD 3.2Å |
| 398 | S | 31.9 | Very low | 50.1 | Low | 89 Ų | 89 | 101.8 Ų | 101.8 | 62% | 0.622 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -75 | 117.7 | 173.9 | 54 | 0 | 0 | 0 | 0 | 110.9 | V394 S395 | V394-S398 PolarHBondContact O-N 3.42Å; S395-S398 PolarHBondContact O-OG 3.11Å |
| 399 | P | 36 | Very low | 48 | Very low | 119 Ų | 119 | 105.7 Ų | 105.7 | 77% | 0.773 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 152.2 | 179 | 29.8 | -35.2 | 0 | 0 | 0 | 111.7 | S397 | S397-P399 WeakPolarHBondContact O-CD 3.2Š|
| 400 | S | 24.4 | Very low | 45.9 | Very low | 112 Ų | 112 | 103.2 Ų | 103.2 | 78% | 0.783 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 145.3 | 172.9 | -173.7 | 0 | 0 | 0 | 0 | 111.6 | K402 | S400-K402 PolarHBondContact O-N 3.46Š|
| 401 | Y | 30.7 | Very low | 43.8 | Very low | 218 Ų | 218 | 108 Ų | 108 | 86% | 0.855 | 67% | 0.667 | S | S | * | * | trans | -52 | 108.4 | 179.6 | -104.4 | -97.3 | 0 | 0 | 0 | 111.4 | ||||
| 402 | K | 28.3 | Very low | 41.9 | Very low | 197 Ų | 197 | 115.2 Ų | 115.2 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | trans | -112.6 | 114.2 | 159.3 | -78 | -169.3 | 174 | -175.7 | 0 | 108.6 | S400 | S400-K402 PolarHBondContact O-N 3.46Š| ||
| 403 | V | 31.5 | Very low | 40.2 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 126.5 | 171.7 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | A405 | V403-A405 PolarHBondContact O-N 3.24Š|
| 404 | P | 31.5 | Very low | 38.7 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 126.5 | 168.4 | -20.1 | 32.7 | 0 | 0 | 0 | 109.2 | ||
| 405 | A | 33.9 | Very low | 37.2 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 140.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | V403 | V403-A405 PolarHBondContact O-N 3.24Š|
| 406 | P | 39 | Very low | 36.3 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 148.1 | 177.2 | 27.1 | -34.5 | 0 | 0 | 0 | 110.5 | ||
| 407 | P | 45.7 | Very low | 35.8 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 145.5 | 176 | 27.2 | -34.6 | 0 | 0 | 0 | 110.5 | ||
| 408 | P | 44.5 | Very low | 35.7 | Very low | 117 Ų | 117 | 135 Ų | 135 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 146.5 | 177.5 | 27 | -34.4 | 0 | 0 | 0 | 110.9 | ||
| 409 | P | 38.3 | Very low | 36 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 151.6 | 178.7 | 27.2 | -34.8 | 0 | 0 | 0 | 111.6 | ||
| 410 | A | 39.3 | Very low | 35.9 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -59 | 144.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N412 | A410-N412 PolarHBondContact O-N 2.86Š|
| 411 | P | 34.6 | Very low | 36.3 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 121.5 | -178.2 | -23 | 33.8 | 0 | 0 | 0 | 112.2 | R413 | P411-R413 PolarHBondContact O-N 2.05Š|
| 412 | N | 34.4 | Very low | 36.7 | Very low | 167 Ų | 167 | 136 Ų | 136 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 123 | 175.1 | -122.7 | -19.5 | 0 | 0 | 0 | 109.6 | A410 N414 | A410-N412 PolarHBondContact O-N 2.86Å; N412-N414 PolarHBondContact O-N 3.04Å |
| 413 | R | 36.2 | Very low | 37.3 | Very low | 237 Ų | 237 | 134.2 Ų | 134.2 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -71.4 | 91.4 | 175 | -64 | 170.1 | 85.5 | 174.9 | 7.1 | 108.7 | P411 | P411-R413 PolarHBondContact O-N 2.05Š|
| 414 | N | 41.6 | Very low | 37.5 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | 177 | 72.1 | 155.1 | -89.3 | -17.6 | 0 | 0 | 0 | 112.9 | N412 | N412-N414 PolarHBondContact O-N 3.04Š| ||
| 415 | M | 34.8 | Very low | 37.5 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | trans | -158.9 | 150.8 | 154 | -158.4 | 61.8 | 83.2 | 0 | 0 | 109.9 | ||||
| 416 | A | 35.9 | Very low | 37.2 | Very low | 86 Ų | 86 | 139 Ų | 139 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -98.8 | 155.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 417 | P | 41.4 | Very low | 36.6 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | trans | -101.5 | 151.4 | -173.1 | 38.1 | -34.8 | 0 | 0 | 0 | 115.5 | ||||
| 418 | P | 35.9 | Very low | 35.7 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | trans | -114.9 | -175.5 | 157.7 | 44.3 | -33 | 0 | 0 | 0 | 110.4 | ||||
| 419 | P | 37.8 | Very low | 34.9 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | -112.8 | -174.6 | -118.7 | 8.9 | 17.7 | 0 | 0 | 0 | 117 | |||||
| 420 | N | 34.9 | Very low | 34.4 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -89.5 | 174.8 | -166.7 | -80.3 | -69.3 | 0 | 0 | 0 | 117.2 | ||||
| 421 | L | 32.6 | Very low | 33.8 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | 88.8 | 151.7 | 158.2 | -64.4 | 137.4 | 0 | 0 | 0 | 118 | ||||
| 422 | P | 38.8 | Very low | 33.4 | Very low | 110 Ų | 110 | 145 Ų | 145 | 71% | 0.714 | 82% | 0.819 | S | S | * | * | cis | -134.9 | 163 | -24.1 | 36.8 | -20.4 | 0 | 0 | 0 | 115.5 | ||||
| 423 | D | 40.6 | Very low | 33.4 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -82.8 | 151.2 | 164.9 | -63.3 | -72.4 | 0 | 0 | 0 | 113 | ||||
| 424 | P | 36.8 | Very low | 32.9 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -117.2 | 158.2 | 157.9 | 36.7 | -26.6 | 0 | 0 | 0 | 113.8 | ||||
| 425 | H | 29.8 | Very low | 32.2 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -100.4 | 163.3 | -164.3 | -104.1 | -97 | 0 | 0 | 0 | 116.1 | ||||
| 426 | D | 27.8 | Very low | 31.7 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | 47 | 123.5 | 145.6 | -52.4 | -17.2 | 0 | 0 | 0 | 122.6 | ||||
| 427 | A | 27.6 | Very low | 31.1 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | trans | -159.4 | 153.2 | 141.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 428 | A | 27 | Very low | 30.7 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -111.2 | 167.1 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 429 | A | 27.8 | Very low | 30.5 | Very low | 88 Ų | 88 | 143.9 Ų | 143.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 85.9 | 114.9 | 140 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 430 | V | 26.9 | Very low | 29.9 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | 88.5 | 142.2 | 123.3 | 168.1 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 431 | K | 26.1 | Very low | 29.7 | Very low | 196 Ų | 196 | 144.3 Ų | 144.3 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | 86.9 | 114.7 | 168 | -77.8 | 154.1 | -172.2 | 176.6 | 0 | 120.7 | ||||
| 432 | K | 26 | Very low | 30.1 | Very low | 196 Ų | 196 | 141.6 Ų | 141.6 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | trans | -81.8 | 173.5 | 135.9 | -72.3 | -173.8 | 177 | -175.9 | 0 | 108.4 | ||||
| 433 | P | 35.6 | Very low | 29.4 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | cis | -143.1 | -160.4 | 20.7 | 33.4 | -7 | 0 | 0 | 0 | 116.4 | ||||
| 434 | V | 25.8 | Very low | 28.8 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | trans | 89 | 95.8 | 161.5 | -162.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 435 | E | 25.6 | Very low | 28.3 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 20.9 | 130.5 | 120.3 | -165.7 | 167.8 | -145.7 | 0 | 0 | 121 | |||||
| 436 | I | 24.6 | Very low | 28.1 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | trans | 169.5 | 135.1 | 132.9 | -90.7 | 161.3 | 0 | 0 | 0 | 112.6 | ||||
| 437 | E | 24 | Very low | 28.2 | Very low | 190 Ų | 190 | 138.4 Ų | 138.4 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | 42.7 | 171.7 | 155.9 | -67.9 | -173.7 | 96.7 | 0 | 0 | 124.4 | ||||
| 438 | K | 33.6 | Very low | 28 | Very low | 197 Ų | 197 | 140.9 Ų | 140.9 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -144.6 | 114.6 | -169.5 | 176.3 | -168 | 177.9 | -175 | 0 | 111.4 | ||||
| 439 | P | 30.9 | Very low | 28.5 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -106.3 | 126.9 | 176.6 | 9.7 | 11 | 0 | 0 | 0 | 114.9 | ||||
| 440 | V | 24.3 | Very low | 28.3 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | 48.4 | 126.6 | 115.5 | -179.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 441 | L | 31.6 | Very low | 28.2 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | -76.7 | 166.1 | 162.6 | -79.2 | 96.8 | 0 | 0 | 0 | 111.4 | ||||
| 442 | P | 41.7 | Very low | 29 | Very low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | -158.6 | -151.8 | 50.5 | 38.9 | -11.2 | 0 | 0 | 0 | 117.4 | |||||
| 443 | E | 24.3 | Very low | 29 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | trans | 75.2 | 138.6 | 170.5 | -57.3 | -177.2 | 138.5 | 0 | 0 | 117.9 | ||||
| 444 | G | 27.1 | Very low | 28.7 | Very low | 75 Ų | 75 | 138.6 Ų | 138.6 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | cis | 132.4 | 133.6 | -16.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 445 | D | 27 | Very low | 28.7 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | -174.2 | 171.2 | 128.2 | -136.7 | -30.2 | 0 | 0 | 0 | 114.4 | |||||
| 446 | A | 24.6 | Very low | 28.6 | Very low | 86 Ų | 86 | 137.5 Ų | 137.5 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | 91.7 | 124.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 447 | V | 29.6 | Very low | 29.7 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | cis | 78 | 119.4 | 12.4 | -167.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 448 | R | 23.1 | Very low | 29.7 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 62% | 0.619 | 75% | 0.748 | S | S | * | * | cis | -159.5 | 179.1 | -4.2 | -143 | -179 | 154.7 | -103.3 | -11.9 | 109.6 | E450 | R448-E450 IonicContact CZ-OE1 2.67Å; R448-E450 IonicContact NH1-OE1 2.69Å; R448-E450 PolarHBondContact NH1-OE1 2.83Å; R448-E450 IonicContact NH2-OE1 2.67Å; R448-E450 PolarHBondContact NH2-OE1 2.86Å | ||
| 449 | P | 39.2 | Very low | 29.2 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 66% | 0.662 | 74% | 0.744 | S | S | * | * | -151.9 | -97.6 | 77.8 | 37.2 | -12.3 | 0 | 0 | 0 | 117.4 | |||||
| 450 | E | 23.8 | Very low | 28.9 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 59% | 0.593 | 75% | 0.753 | S | S | * | * | trans | -131.2 | 161.3 | -158.4 | -71.1 | -68.9 | 109.1 | 0 | 0 | 112.2 | R448 | R448-E450 IonicContact CZ-OE1 2.67Å; R448-E450 IonicContact NH1-OE1 2.69Å; R448-E450 PolarHBondContact NH1-OE1 2.83Å; R448-E450 IonicContact NH2-OE1 2.67Å; R448-E450 PolarHBondContact NH2-OE1 2.86Å | ||
| 451 | H | 23.9 | Very low | 28.8 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | cis | 104.5 | 156.5 | 13.5 | -85.4 | -53.7 | 0 | 0 | 0 | 116.4 | ||||
| 452 | P | 42.1 | Very low | 28.7 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 60% | 0.604 | 75% | 0.745 | S | S | * | * | cis | -136.9 | -172.3 | -5.7 | 28.1 | -4.2 | 0 | 0 | 0 | 116.8 | ||||
| 453 | Q | 26 | Very low | 27.9 | Very low | 170 Ų | 170 | 145.8 Ų | 145.8 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | 104.2 | 150.7 | 155.9 | -56.6 | -162.3 | 40.7 | 0 | 0 | 119.5 | ||||
| 454 | I | 29.8 | Very low | 27.9 | Very low | 135 Ų | 135 | 145 Ų | 145 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | cis | -174.4 | 156.9 | -45.4 | -110 | 167.2 | 0 | 0 | 0 | 111.2 | ||||
| 455 | K | 25.8 | Very low | 27.7 | Very low | 203 Ų | 203 | 147.1 Ų | 147.1 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | trans | 75.7 | 151.1 | 163 | -87.4 | 162.3 | -172.6 | 177.4 | 0 | 122.8 | ||||
| 456 | G | 23.4 | Very low | 27.6 | Very low | 64 Ų | 64 | 144.4 Ų | 144.4 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | trans | -131.4 | -156.5 | 144.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 457 | P | 48.6 | Very low | 27.6 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | cis | -135.3 | -156.1 | -6 | 41.5 | -21 | 0 | 0 | 0 | 113.8 | ||||
| 458 | L | 24.3 | Very low | 27.5 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | 93.4 | 140.9 | 160.2 | -109.8 | 76.5 | 0 | 0 | 0 | 122.9 | ||||
| 459 | E | 22.9 | Very low | 27.4 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | 51.6 | 128.6 | 155.5 | -67.9 | -170.2 | 102.5 | 0 | 0 | 125.2 | ||||
| 460 | R | 23.9 | Very low | 26.7 | Very low | 253 Ų | 253 | 154.4 Ų | 154.4 | 96% | 0.955 | 76% | 0.762 | S | S | * | * | -174.5 | 168.9 | 105.9 | -100.2 | 178.5 | -177.2 | -154.8 | -1.2 | 115.4 | |||||
| 461 | K | 22.4 | Very low | 27.3 | Very low | 171 Ų | 171 | 153.8 Ų | 153.8 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -79.1 | 145.8 | -176.7 | -84.5 | 173.2 | 160.2 | -81.7 | 0 | 113.7 | ||||
| 462 | E | 28.4 | Very low | 27.3 | Very low | 154 Ų | 154 | 155.4 Ų | 155.4 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | 52.8 | 122 | 91.3 | -52.8 | 176.3 | 128.1 | 0 | 0 | 116.5 | |||||
| 463 | E | 25 | Very low | 26.4 | Very low | 208 Ų | 208 | 155.4 Ų | 155.4 | 97% | 0.972 | 78% | 0.784 | S | S | * | * | trans | -163.3 | 172.3 | 146.1 | -124 | 164.8 | -144 | 0 | 0 | 111.5 | ||||
| 464 | E | 25 | Very low | 26.3 | Very low | 173 Ų | 173 | 153.5 Ų | 153.5 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -143.6 | -176.8 | -159.6 | -157.7 | -161.2 | 128.2 | 0 | 0 | 111.7 | ||||
| 465 | V | 23.5 | Very low | 26.4 | Very low | 119 Ų | 119 | 153.1 Ų | 153.1 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | 76.6 | 154.1 | 161.7 | 174.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 466 | V | 24.1 | Very low | 26.7 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 61% | 0.612 | 78% | 0.777 | S | S | * | * | cis | 177.1 | 164.2 | -49.9 | 133.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 467 | Q | 24.6 | Very low | 26.8 | Very low | 171 Ų | 171 | 154.2 Ų | 154.2 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | 70 | 157.5 | 165.2 | -84 | 158.5 | 42.5 | 0 | 0 | 118 | ||||
| 468 | L | 26.7 | Very low | 25.6 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | cis | -169 | 160.6 | -25.3 | -160.2 | 71.9 | 0 | 0 | 0 | 108.9 | ||||
| 469 | D | 23 | Very low | 25.8 | Very low | 151 Ų | 151 | 153.8 Ų | 153.8 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | -168.7 | 160.8 | 124.1 | -136.9 | -32.3 | 0 | 0 | 0 | 114 | |||||
| 470 | R | 24.4 | Very low | 25.9 | Very low | 214 Ų | 214 | 150.5 Ų | 150.5 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -172.6 | 125.7 | 174.9 | 172.6 | 173.2 | -172.6 | -156.6 | 2.3 | 111.8 | ||||
| 471 | P | 36.2 | Very low | 26 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | -146 | -176.5 | 104.9 | 38.6 | -19.6 | 0 | 0 | 0 | 112.6 | |||||
| 472 | E | 22.7 | Very low | 26.3 | Very low | 181 Ų | 181 | 148.4 Ų | 148.4 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | cis | -133.5 | -166.6 | 21.8 | -67.9 | -171.7 | 103.1 | 0 | 0 | 115 | ||||
| 473 | A | 23.9 | Very low | 26.1 | Very low | 93 Ų | 93 | 149.1 Ų | 149.1 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -83.7 | 179.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 474 | V | 22.9 | Very low | 27.1 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | -147.5 | 150.6 | 64.3 | 168.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 475 | V | 32.6 | Very low | 27.5 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -143.5 | 139.5 | 165.7 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 476 | P | 32.6 | Very low | 27.7 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | -121.9 | 148.7 | 115 | -1.8 | 23.3 | 0 | 0 | 0 | 111 | |||||
| 477 | E | 24.9 | Very low | 28.1 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | 70.7 | 136.2 | 61.1 | -60.9 | -176.4 | 145.1 | 0 | 0 | 114.4 | |||||
| 478 | G | 24.4 | Very low | 28.3 | Very low | 66 Ų | 66 | 145 Ų | 145 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | cis | 177.7 | 174.3 | -4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 479 | E | 27.7 | Very low | 28.2 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | trans | 64.7 | 162 | 166.1 | -55.6 | -161.8 | 117.7 | 0 | 0 | 118 | ||||
| 480 | A | 25.8 | Very low | 28.5 | Very low | 98 Ų | 98 | 146.6 Ų | 146.6 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | cis | -140 | -171.7 | 12.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 481 | H | 24.6 | Very low | 28.7 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -96.1 | 149.1 | -163 | -89.6 | -80.8 | 0 | 0 | 0 | 116.9 | ||||
| 482 | R | 28.8 | Very low | 28.1 | Very low | 206 Ų | 206 | 144 Ų | 144 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | 52.8 | 125.4 | 130.9 | -172.7 | -175.4 | -164.6 | 166.7 | 4.4 | 119.7 | ||||
| 483 | H | 25 | Very low | 28.2 | Very low | 169 Ų | 169 | 145 Ų | 145 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | -169.6 | 129.8 | 118 | -108 | -74.6 | 0 | 0 | 0 | 113.9 | |||||
| 484 | E | 46 | Very low | 28.3 | Very low | 180 Ų | 180 | 147.2 Ų | 147.2 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 137.6 | 159.9 | -67.8 | 178 | 128.9 | 0 | 0 | 109.1 | ||
| 485 | P | 32.4 | Very low | 28.5 | Very low | 121 Ų | 121 | 148.4 Ų | 148.4 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 160.6 | 162.4 | 34.1 | -30.1 | 0 | 0 | 0 | 111.7 | ||
| 486 | P | 29.5 | Very low | 28.2 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 158.9 | -144.3 | 36.6 | -37.6 | 0 | 0 | 0 | 116.9 | ||
| 487 | I | 31.9 | Very low | 27.8 | Very low | 139 Ų | 139 | 154.8 Ų | 154.8 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 126.7 | 161.3 | -54.7 | 171 | 0 | 0 | 0 | 108.6 | Q489 | I487-Q489 HydrophobicContact CG2-CG 4.13Å; I487-Q489 PolarHBondContact O-N 3.4Å |
| 488 | P | 28.2 | Very low | 27.8 | Very low | 124 Ų | 124 | 154 Ų | 154 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 121.1 | 166 | -14.1 | 29.7 | 0 | 0 | 0 | 110.6 | ||
| 489 | Q | 25.7 | Very low | 27.8 | Very low | 162 Ų | 162 | 156.7 Ų | 156.7 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | trans | -134.1 | 117.3 | 163.1 | -69.2 | -170 | 5.9 | 0 | 0 | 109.2 | I487 | I487-Q489 HydrophobicContact CG2-CG 4.13Å; I487-Q489 PolarHBondContact O-N 3.4Å | ||
| 490 | D | 28.5 | Very low | 27.5 | Very low | 173 Ų | 173 | 155 Ų | 155 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -96 | 127.2 | 155.3 | -101.8 | -40.4 | 0 | 0 | 0 | 107.9 | ||||
| 491 | E | 28.4 | Very low | 27.6 | Very low | 125 Ų | 125 | 156 Ų | 156 | 58% | 0.584 | 79% | 0.787 | S | S | * | * | trans | -84 | 133.2 | 174.2 | -87 | -162.6 | 118.4 | 0 | 0 | 111.3 | R493 | E491-R493 VanDerWaalsContact OE1-CD 3.27Å; E491-R493 WeakPolarHBondContact OE1-CD 3.38Å; E491-R493 IonicContact OE1-CZ 2.61Å; E491-R493 IonicContact OE1-NE 3.66Å; E491-R493 IonicContact OE1-NH1 2.65Å; E491-R493 PolarHBondContact OE1-NH1 2.88Å | ||
| 492 | V | 24.5 | Very low | 27.7 | Very low | 149 Ų | 149 | 154.5 Ų | 154.5 | 90% | 0.903 | 78% | 0.781 | S | S | * | * | trans | -131.4 | 95.2 | 141.1 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 493 | R | 25.2 | Very low | 27.7 | Very low | 203 Ų | 203 | 151.4 Ų | 151.4 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -99 | 130.2 | 164 | -76.1 | 179.3 | 167.1 | 146.4 | -14.7 | 110 | E491 | E491-R493 VanDerWaalsContact OE1-CD 3.27Å; E491-R493 WeakPolarHBondContact OE1-CD 3.38Å; E491-R493 IonicContact OE1-CZ 2.61Å; E491-R493 IonicContact OE1-NE 3.66Å; E491-R493 IonicContact OE1-NH1 2.65Å; E491-R493 PolarHBondContact OE1-NH1 2.88Å | ||
| 494 | V | 25.8 | Very low | 27.7 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | -150.5 | 144.3 | 126.3 | -148.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 495 | N | 26 | Very low | 26.7 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -75.6 | 151.8 | 159.3 | -71.7 | -58.6 | 0 | 0 | 0 | 110.1 | ||||
| 496 | S | 27.4 | Very low | 26.3 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -160.4 | 144.8 | 149.4 | -90.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 497 | R | 23 | Very low | 26 | Very low | 241 Ų | 241 | 153.6 Ų | 153.6 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -156.4 | 127.8 | 171.5 | -150.3 | -178.8 | -163.1 | -166.9 | 6 | 107.7 | ||||
| 498 | K | 24.9 | Very low | 25.6 | Very low | 170 Ų | 170 | 154.9 Ų | 154.9 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | trans | 68.5 | 147 | -174.3 | -73 | 178.6 | 134.3 | -70.3 | 0 | 114.2 | ||||
| 499 | D | 24.5 | Very low | 25.4 | Very low | 124 Ų | 124 | 153.3 Ų | 153.3 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | cis | -148.7 | 160.9 | 4.9 | -107.9 | -33.2 | 0 | 0 | 0 | 112.7 | ||||
| 500 | K | 22 | Very low | 25.3 | Very low | 159 Ų | 159 | 154.1 Ų | 154.1 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | trans | 69.6 | 134.7 | 154.2 | -146.1 | -168.7 | -176.9 | -146.9 | 0 | 121.1 | E502 | K500-E502 IonicContact NZ-OE1 3.12Å; K500-E502 PolarHBondContact NZ-OE1 2.85Å | ||
| 501 | P | 28.3 | Very low | 25 | Very low | 118 Ų | 118 | 154.8 Ų | 154.8 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | trans | -115.5 | 160.9 | 162.6 | 39.8 | -30.5 | 0 | 0 | 0 | 114 | ||||
| 502 | E | 25.6 | Very low | 24.7 | Very low | 143 Ų | 143 | 152.4 Ų | 152.4 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | trans | -142.1 | 117.6 | 168.6 | -67.2 | -173.5 | 143.1 | 0 | 0 | 107.4 | K500 | K500-E502 IonicContact NZ-OE1 3.12Å; K500-E502 PolarHBondContact NZ-OE1 2.85Å | ||
| 503 | L | 28.1 | Very low | 24.7 | Very low | 142 Ų | 142 | 152.9 Ų | 152.9 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | 79.9 | 133.7 | 95.6 | -80.3 | 154.1 | 0 | 0 | 0 | 114.3 | |||||
| 504 | E | 26.2 | Very low | 24.7 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | cis | -114 | -150.4 | -3.4 | -68.1 | -120 | 65.5 | 0 | 0 | 110.3 | ||||
| 505 | E | 24.6 | Very low | 24.7 | Very low | 131 Ų | 131 | 150.5 Ų | 150.5 | 61% | 0.612 | 77% | 0.774 | S | S | * | * | cis | -158.7 | -174.3 | 0.5 | -147.5 | -98 | 95.8 | 0 | 0 | 109.2 | ||||
| 506 | K | 24.7 | Very low | 24.5 | Very low | 169 Ų | 169 | 151.3 Ų | 151.3 | 74% | 0.735 | 77% | 0.773 | S | S | * | * | trans | 67.3 | 80.4 | 163.6 | -62.6 | -161.1 | 174.8 | 175.9 | 0 | 120.7 | ||||
| 507 | K | 23.3 | Very low | 24.8 | Very low | 169 Ų | 169 | 150.4 Ų | 150.4 | 74% | 0.735 | 76% | 0.764 | S | S | * | * | 32.3 | 129.7 | 111.2 | -78.3 | 178.4 | 168.1 | -177.2 | 0 | 121.7 | |||||
| 508 | Q | 22.6 | Very low | 25 | Very low | 166 Ų | 166 | 148 Ų | 148 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | 79.5 | 151.8 | 132.9 | -68.6 | 177.4 | -81.8 | 0 | 0 | 121.1 | ||||
| 509 | A | 24.3 | Very low | 25 | Very low | 90 Ų | 90 | 150.1 Ų | 150.1 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | trans | 66.5 | 161.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 510 | E | 23.3 | Very low | 25.1 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | cis | -163 | -164.8 | -48.9 | -130.6 | 167 | 161.3 | 0 | 0 | 108.1 | ||||
| 511 | E | 21.5 | Very low | 25.4 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | -33.1 | 146.6 | -176.8 | -49.9 | -174.3 | 111.9 | 0 | 0 | 121.2 | ||||
| 512 | G | 23.3 | Very low | 25.7 | Very low | 75 Ų | 75 | 148.1 Ų | 148.1 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | 105.4 | 154.8 | 127.2 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 513 | L | 24.2 | Very low | 25.8 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | cis | -150.3 | 154.5 | -5 | -177.6 | 63.4 | 0 | 0 | 0 | 111.2 | ||||
| 514 | K | 25.4 | Very low | 26.6 | Very low | 187 Ų | 187 | 146.6 Ų | 146.6 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | -44 | 152.5 | -179.1 | -53.5 | 164.6 | -177 | 177.5 | 0 | 117.5 | ||||
| 515 | A | 24.9 | Very low | 26.6 | Very low | 106 Ų | 106 | 144.6 Ų | 144.6 | 88% | 0.876 | 75% | 0.75 | S | S | * | * | -147 | 133.5 | 124.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 516 | E | 23.2 | Very low | 26.7 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -113.3 | 179.7 | 173.3 | -115.7 | -161.9 | 102.4 | 0 | 0 | 108.2 | ||||
| 517 | P | 33.1 | Very low | 26.8 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | cis | -142.9 | 171.6 | 23 | 42.4 | -24.1 | 0 | 0 | 0 | 118 | ||||
| 518 | Q | 26.8 | Very low | 26.9 | Very low | 191 Ų | 191 | 145.3 Ų | 145.3 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | -159.5 | 143.5 | 135.5 | -112.3 | 169.7 | 33.3 | 0 | 0 | 112.9 | ||||
| 519 | R | 25.8 | Very low | 27 | Very low | 215 Ų | 215 | 143 Ų | 143 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -103.9 | 164.6 | -167.7 | -76.2 | -176.6 | -175 | -165.1 | 4.4 | 111.9 | ||||
| 520 | D | 26 | Very low | 27.1 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | cis | -169.8 | 155.9 | -8 | -91.5 | -19.4 | 0 | 0 | 0 | 106.3 | ||||
| 521 | E | 28.1 | Very low | 27.2 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 55% | 0.551 | 76% | 0.756 | S | S | * | * | cis | -162.2 | -46.9 | -24.8 | -139.9 | -70.1 | 131.6 | 0 | 0 | 113.9 | K523 | E521-K523 WeakPolarHBondContact OE1-CE 3.32Å; E521-K523 IonicContact OE1-NZ 2.61Å; E521-K523 PolarHBondContact OE1-NZ 2.8Å; E521-K523 WeakPolarHBondContact OE2-CE 3.49Å; E521-K523 IonicContact OE2-NZ 2.72Å; E521-K523 PolarHBondContact OE2-NZ 3.04Å | ||
| 522 | P | 35 | Very low | 27.3 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -105.1 | 148.6 | -150.8 | 37.2 | -32.8 | 0 | 0 | 0 | 117.2 | ||||
| 523 | K | 27.7 | Very low | 27.3 | Very low | 149 Ų | 149 | 149.3 Ų | 149.3 | 65% | 0.648 | 74% | 0.738 | S | S | * | * | cis | 78.1 | 167.6 | 26.8 | -62.7 | -176.1 | -166.5 | 147.3 | 0 | 115.5 | E521 | E521-K523 WeakPolarHBondContact OE1-CE 3.32Å; E521-K523 IonicContact OE1-NZ 2.61Å; E521-K523 PolarHBondContact OE1-NZ 2.8Å; E521-K523 WeakPolarHBondContact OE2-CE 3.49Å; E521-K523 IonicContact OE2-NZ 2.72Å; E521-K523 PolarHBondContact OE2-NZ 3.04Å | ||
| 524 | P | 43.8 | Very low | 27.3 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | cis | -119.2 | -160.4 | -11.5 | 19.7 | 7.4 | 0 | 0 | 0 | 111.2 | ||||
| 525 | D | 26.5 | Very low | 27.2 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 67% | 0.674 | 73% | 0.734 | S | S | * | * | cis | -155.7 | 133.8 | 45.7 | -85.9 | -43.5 | 0 | 0 | 0 | 112.4 | ||||
| 526 | L | 28.1 | Very low | 27.1 | Very low | 148 Ų | 148 | 146.7 Ų | 146.7 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | 64.1 | 119.3 | 95.8 | -60.8 | 177.1 | 0 | 0 | 0 | 115.3 | |||||
| 527 | K | 24.9 | Very low | 27.3 | Very low | 176 Ų | 176 | 147.6 Ų | 147.6 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | cis | 99.3 | 107.6 | 8.5 | -163.1 | -175.4 | -176.8 | -177.1 | 0 | 116.7 | ||||
| 528 | K | 25.5 | Very low | 26.9 | Very low | 160 Ų | 160 | 151.9 Ų | 151.9 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | trans | 63.7 | 166.1 | 160.4 | -72.4 | -169.4 | 151.8 | -70.4 | 0 | 115.8 | ||||
| 529 | D | 26.1 | Very low | 26.7 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | cis | -158.2 | 148.3 | -19.6 | -107.2 | -5.1 | 0 | 0 | 0 | 104.2 | ||||
| 530 | D | 26.3 | Very low | 26.8 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 90% | 0.898 | 74% | 0.739 | S | S | * | * | trans | -150.6 | 164 | 151.8 | -130.1 | -36.4 | 0 | 0 | 0 | 112.7 | ||||
| 531 | R | 25.3 | Very low | 27.1 | Very low | 216 Ų | 216 | 139.4 Ų | 139.4 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | trans | -146.2 | 151.2 | -148.3 | -151.5 | -173.4 | -177.2 | -177.3 | 1.8 | 113.3 | ||||
| 532 | K | 22.1 | Very low | 26.9 | Very low | 161 Ų | 161 | 143 Ų | 143 | 70% | 0.7 | 75% | 0.749 | S | S | * | * | trans | 70.7 | 159.3 | 169.4 | -66.7 | -179.2 | 157.2 | -139.8 | 0 | 114.3 | ||||
| 533 | E | 23.9 | Very low | 26.5 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 55% | 0.551 | 74% | 0.739 | S | S | * | * | cis | -159.2 | 170.2 | -5.3 | -127.8 | 166.5 | -146.7 | 0 | 0 | 112.2 | ||||
| 534 | Q | 24.5 | Very low | 26.4 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | 65.1 | 167.3 | 150.5 | -72.2 | 174.7 | 60.3 | 0 | 0 | 118.5 | ||||
| 535 | N | 22.4 | Very low | 25.5 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | -155 | 178.7 | -50.9 | -149.3 | 2.8 | 0 | 0 | 0 | 110.1 | |||||
| 536 | A | 23.9 | Very low | 25.4 | Very low | 84 Ų | 84 | 141 Ų | 141 | 69% | 0.694 | 74% | 0.737 | S | S | * | * | trans | -38.6 | 136.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 537 | E | 28.1 | Very low | 25.4 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -150.8 | 127.5 | 130.3 | -95.8 | 178.6 | 117.5 | 0 | 0 | 104.7 | ||||
| 538 | E | 23.6 | Very low | 25.4 | Very low | 193 Ų | 193 | 138.8 Ų | 138.8 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | cis | 90.2 | 157.7 | 43.5 | -161.7 | 153.4 | -155.7 | 0 | 0 | 113.3 | ||||
| 539 | A | 23.4 | Very low | 25.4 | Very low | 98 Ų | 98 | 135 Ų | 135 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | trans | -96.6 | 136.9 | -139.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 540 | A | 28.4 | Very low | 25.7 | Very low | 105 Ų | 105 | 133 Ų | 133 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | trans | -157.5 | 144.8 | 135.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 541 | G | 31.4 | Very low | 26.4 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | cis | 122 | 64.6 | 31.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 542 | R | 23.3 | Very low | 26.6 | Very low | 193 Ų | 193 | 125.8 Ų | 125.8 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | 84 | 143 | 57.3 | -165.8 | -168.5 | 166 | -170.9 | -4.9 | 112.4 | E544 | R542-E544 WeakPolarHBondContact CG-OE1 3.46Å; R542-E544 IonicContact CZ-OE1 2.7Å; R542-E544 IonicContact CZ-OE2 2.7Å; R542-E544 VanDerWaalsContact CZ-OE2 3.3Å; R542-E544 IonicContact NE-OE1 2.64Å; R542-E544 PolarHBondContact NE-OE1 2.93Å; R542-E544 IonicContact NE-OE2 3.12Å; R542-E544 PolarHBondContact NE-OE2 3.49Å; R542-E544 VanDerWaalsContact NE-OE2 3.1Å; R542-E544 IonicContact NH2-OE1 2.84Å; R542-E544 IonicContact NH2-OE2 3.74Å; R542-E544 PolarHBondContact NH2-OE2 3.45Å | |||
| 543 | K | 26.5 | Very low | 26.8 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 52% | 0.517 | 75% | 0.748 | S | S | . | * | trans | 104.8 | 125.6 | 167.6 | -57.2 | -156 | 127.5 | -60 | 0 | 115.9 | E545 | K543-E545 IonicContact NZ-OE1 3.3Å; K543-E545 PolarHBondContact NZ-OE1 3.49Å; K543-E545 IonicContact NZ-OE2 2.68Å; K543-E545 PolarHBondContact NZ-OE2 3.4Å | ||
| 544 | E | 25.4 | Very low | 27 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 51% | 0.505 | 75% | 0.748 | S | S | . | * | cis | 75.4 | 148.8 | 34 | -49.1 | 141.3 | -134.7 | 0 | 0 | 112.7 | R542 | R542-E544 WeakPolarHBondContact CG-OE1 3.46Å; R542-E544 IonicContact CZ-OE1 2.7Å; R542-E544 IonicContact CZ-OE2 2.7Å; R542-E544 VanDerWaalsContact CZ-OE2 3.3Å; R542-E544 IonicContact NE-OE1 2.64Å; R542-E544 PolarHBondContact NE-OE1 2.93Å; R542-E544 IonicContact NE-OE2 3.12Å; R542-E544 PolarHBondContact NE-OE2 3.49Å; R542-E544 VanDerWaalsContact NE-OE2 3.1Å; R542-E544 IonicContact NH2-OE1 2.84Å; R542-E544 IonicContact NH2-OE2 3.74Å; R542-E544 PolarHBondContact NH2-OE2 3.45Å | ||
| 545 | E | 25 | Very low | 27 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | cis | -131.3 | 163.2 | 5.8 | -87 | 89.1 | 163.1 | 0 | 0 | 111.3 | K543 | K543-E545 IonicContact NZ-OE1 3.3Å; K543-E545 PolarHBondContact NZ-OE1 3.49Å; K543-E545 IonicContact NZ-OE2 2.68Å; K543-E545 PolarHBondContact NZ-OE2 3.4Å | ||
| 546 | G | 25.1 | Very low | 27.3 | Very low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | trans | 153.4 | 140.8 | 148.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 547 | E | 27.3 | Very low | 27.4 | Very low | 187 Ų | 187 | 126.8 Ų | 126.8 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | cis | -154.9 | 144.7 | -15.2 | -109.5 | -174.6 | 111.5 | 0 | 0 | 107.4 | ||||
| 548 | A | 26.8 | Very low | 27.2 | Very low | 92 Ų | 92 | 125.6 Ų | 125.6 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | 54.1 | 136.1 | 83.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 549 | G | 24.9 | Very low | 27.2 | Very low | 80 Ų | 80 | 125.5 Ų | 125.5 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | cis | -133.4 | -169.9 | -6.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 550 | G | 31.2 | Very low | 27.1 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | cis | 111.6 | 154.7 | 20.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 551 | P | 40.8 | Very low | 28 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | cis | -119.5 | -161.9 | 2.4 | 28.7 | -3.6 | 0 | 0 | 0 | 111.1 | ||||
| 552 | V | 30.1 | Very low | 27.7 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 66% | 0.655 | 75% | 0.745 | S | S | * | * | cis | -150.8 | 133.5 | 16.4 | -166.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 553 | E | 27 | Very low | 27.6 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 46.5 | 152.9 | 150.5 | -64.9 | -164.9 | 91.2 | 0 | 0 | 123.6 | ||||
| 554 | S | 26.8 | Very low | 27.5 | Very low | 79 Ų | 79 | 138.1 Ų | 138.1 | 55% | 0.552 | 77% | 0.768 | S | S | * | * | cis | -167 | 148 | -12.4 | -101.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 555 | N | 26.2 | Very low | 27.4 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | 54.3 | 154.4 | 144.6 | -74.7 | -3.7 | 0 | 0 | 0 | 122.6 | ||||
| 556 | E | 28.9 | Very low | 27.3 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | cis | -159.7 | -177.4 | -23.7 | -147.4 | -168.7 | 142 | 0 | 0 | 108.7 | ||||
| 557 | V | 25 | Very low | 27.3 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -108.7 | 137.6 | -179.9 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 558 | L | 23.3 | Very low | 27.2 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -140.2 | 166 | 166.4 | -155.3 | 56.1 | 0 | 0 | 0 | 114.2 | ||||
| 559 | K | 23.6 | Very low | 27.2 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -97.5 | 163.8 | -163.2 | -62.2 | 166.7 | -177.6 | 166.7 | 0 | 113.8 | ||||
| 560 | K | 22.3 | Very low | 27.3 | Very low | 198 Ų | 198 | 143.1 Ų | 143.1 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | -25.6 | 165.8 | 154.1 | -58 | 178.6 | 176.5 | -178.8 | 0 | 115.9 | ||||
| 561 | P | 48 | Very low | 27.1 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | cis | -141.7 | -164.4 | -43.6 | 41.5 | -23.2 | 0 | 0 | 0 | 112.4 | ||||
| 562 | V | 24 | Very low | 26.4 | Very low | 127 Ų | 127 | 142 Ų | 142 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | 66.6 | 116.4 | 157.7 | 174.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 563 | R | 20.6 | Very low | 26.2 | Very low | 240 Ų | 240 | 143.8 Ų | 143.8 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | -175.6 | 157 | 106 | -133.8 | 162.7 | -171 | 145.4 | 1.1 | 112.9 | |||||
| 564 | E | 25.4 | Very low | 26.3 | Very low | 175 Ų | 175 | 143 Ų | 143 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -83.8 | 152.2 | 159.6 | -65.6 | 179.5 | 109.5 | 0 | 0 | 111.1 | ||||
| 565 | V | 23.8 | Very low | 26.2 | Very low | 140 Ų | 140 | 146.1 Ų | 146.1 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | 153 | 100.6 | 122.7 | 167.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 566 | G | 23.1 | Very low | 26.1 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | 75.6 | 156.7 | 127 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 567 | K | 24.3 | Very low | 25.8 | Very low | 198 Ų | 198 | 145.4 Ų | 145.4 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | 76.1 | 139.5 | 174.8 | -62 | -179.6 | -179.7 | 172.3 | 0 | 114.8 | ||||
| 568 | K | 25.3 | Very low | 25.7 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 68% | 0.683 | 77% | 0.773 | S | S | * | * | cis | -154.9 | 158.1 | 3.3 | -124.4 | 174.6 | 164.2 | -84.1 | 0 | 110.3 | ||||
| 569 | D | 26.4 | Very low | 26.2 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | 33.9 | 151 | 144.1 | -49.6 | -10.4 | 0 | 0 | 0 | 120.9 | ||||
| 570 | S | 26.9 | Very low | 26.2 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | cis | 176 | 164.6 | -10.1 | -91 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 571 | A | 27.8 | Very low | 26.4 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | cis | -151.4 | 163.7 | -17.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 572 | A | 26.3 | Very low | 25.3 | Very low | 88 Ų | 88 | 142.9 Ų | 142.9 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | 158.1 | 153.3 | 88 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 573 | L | 25.7 | Very low | 25.4 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | cis | -160.6 | 130.2 | -8 | -107.7 | 165.4 | 0 | 0 | 0 | 108.2 | ||||
| 574 | K | 27.5 | Very low | 25.6 | Very low | 156 Ų | 156 | 134 Ų | 134 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | 54.2 | 147.8 | 134.9 | -87.1 | -179.4 | 164 | -130.2 | 0 | 121.5 | ||||
| 575 | E | 25.7 | Very low | 25.4 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | cis | -161 | 172.2 | 3.6 | -153.2 | 144.4 | -158 | 0 | 0 | 114.1 | ||||
| 576 | V | 24.2 | Very low | 25.3 | Very low | 142 Ų | 142 | 131 Ų | 131 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | trans | 89.2 | 154.1 | 170.4 | -173.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 577 | E | 22.3 | Very low | 25.7 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | -168.3 | -128.9 | -94.2 | -171.9 | 40.8 | -95 | 0 | 0 | 110.7 | |||||
| 578 | K | 23.5 | Very low | 25.6 | Very low | 178 Ų | 178 | 130.2 Ų | 130.2 | 77% | 0.774 | 75% | 0.747 | S | S | * | * | trans | -149.2 | 160.7 | -166.5 | -82.7 | -179.5 | -179.2 | 173.4 | 0 | 109.9 | ||||
| 579 | P | 33.6 | Very low | 25.6 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | -161.2 | 172.6 | 59.7 | 44.9 | -22.2 | 0 | 0 | 0 | 121.4 | |||||
| 580 | A | 24.3 | Very low | 25.7 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | 43 | 133.3 | 136.5 | 0 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 581 | K | 25.7 | Very low | 25.8 | Very low | 204 Ų | 204 | 126.7 Ų | 126.7 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | 78.7 | 162 | 131 | -85.6 | -167.5 | 172.3 | -168.6 | 0 | 123 | ||||
| 582 | D | 24.4 | Very low | 25.8 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -90.6 | 161.8 | -162.7 | -46.3 | -99 | 0 | 0 | 0 | 116.6 | ||||
| 583 | A | 26.3 | Very low | 26 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 78.4 | 112.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 584 | A | 25.4 | Very low | 26.1 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | trans | 90.3 | 153.1 | 132.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 585 | N | 21.4 | Very low | 26.3 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | 68.3 | 142.7 | 171.4 | -59.2 | 54.9 | 0 | 0 | 0 | 116.6 | ||||
| 586 | D | 21.8 | Very low | 26.5 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | cis | -157.7 | 154.4 | -15.3 | -112.9 | -20.6 | 0 | 0 | 0 | 113.8 | ||||
| 587 | I | 30.3 | Very low | 26.5 | Very low | 156 Ų | 156 | 122.9 Ų | 122.9 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | 15.9 | 115.8 | 141.5 | -53.9 | 160.5 | 0 | 0 | 0 | 117.5 | ||||
| 588 | A | 23.6 | Very low | 26.6 | Very low | 94 Ų | 94 | 122.1 Ų | 122.1 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -151.2 | 155.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 589 | A | 25.6 | Very low | 27.4 | Very low | 92 Ų | 92 | 119 Ų | 119 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | 66 | 106.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 590 | V | 27.8 | Very low | 27 | Very low | 135 Ų | 135 | 118.7 Ų | 118.7 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | 74 | 101.6 | 59.5 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 591 | A | 29.3 | Very low | 27.1 | Very low | 85 Ų | 85 | 122.1 Ų | 122.1 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | 60.7 | 128.3 | 84.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 592 | A | 26.7 | Very low | 27.1 | Very low | 88 Ų | 88 | 119.6 Ų | 119.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | 82.7 | 139.7 | 37.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 593 | N | 30.5 | Very low | 27.1 | Very low | 151 Ų | 151 | 116.8 Ų | 116.8 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | 75.4 | 133.1 | -163.7 | -57.1 | -55.8 | 0 | 0 | 0 | 114.5 | ||||
| 594 | Q | 29 | Very low | 27.1 | Very low | 195 Ų | 195 | 117.1 Ų | 117.1 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | S | Bend | cis | -117.7 | 147.3 | 3.1 | -64.9 | 177.2 | 1.6 | 0 | 0 | 110.1 | ||
| 595 | A | 30.9 | Very low | 27.1 | Very low | 91 Ų | 91 | 122.7 Ų | 122.7 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | S | Bend | cis | -174.9 | 163.9 | -10.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||
| 596 | A | 29.3 | Very low | 27.2 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | cis | -170.5 | 170 | -20.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 597 | G | 25.1 | Very low | 28.3 | Very low | 60 Ų | 60 | 123.6 Ų | 123.6 | 62% | 0.619 | 77% | 0.768 | S | S | * | * | cis | 155.7 | 168.3 | -0.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 598 | T | 24.7 | Very low | 28.1 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | 61.7 | 146.6 | 176 | 42.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 599 | P | 39.1 | Very low | 28.2 | Very low | 113 Ų | 113 | 123 Ų | 123 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -117.2 | -136 | -35.7 | 23.1 | 1.9 | 0 | 0 | 0 | 110.3 | ||||
| 600 | T | 25.4 | Very low | 28.1 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 69% | 0.693 | 77% | 0.767 | S | S | * | * | cis | -162 | 157.8 | 2.3 | -17.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 601 | K | 26.2 | Very low | 27.9 | Very low | 163 Ų | 163 | 124 Ų | 124 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | trans | 2.1 | 162.1 | 143.8 | -74.2 | -180 | 168.5 | -76.3 | 0 | 123.5 | ||||
| 602 | E | 25.9 | Very low | 27.7 | Very low | 151 Ų | 151 | 128.5 Ų | 128.5 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | cis | 175.9 | 149.9 | -12.9 | 178.3 | 166.9 | -105.4 | 0 | 0 | 114.1 | ||||
| 603 | A | 25.8 | Very low | 27.6 | Very low | 90 Ų | 90 | 128.2 Ų | 128.2 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | trans | 68.3 | 135.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 127.9 | ||||
| 604 | A | 25.1 | Very low | 27.9 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | trans | 68.2 | 166.3 | 142 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 605 | K | 24.9 | Very low | 27.8 | Very low | 202 Ų | 202 | 124.3 Ų | 124.3 | 88% | 0.878 | 75% | 0.754 | S | S | * | * | cis | -158.1 | 173 | 2.4 | -149.4 | 178.5 | 179.1 | -178.3 | 0 | 112.4 | ||||
| 606 | Q | 23.6 | Very low | 27.6 | Very low | 177 Ų | 177 | 124 Ų | 124 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -95.8 | -165.7 | 166.7 | -42.3 | 170.3 | -25.2 | 0 | 0 | 111.4 | ||||
| 607 | P | 45.7 | Very low | 27.4 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | cis | -142.2 | -166.7 | -12.5 | 41.5 | -21.2 | 0 | 0 | 0 | 116.2 | ||||
| 608 | N | 25.8 | Very low | 27.3 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | 70 | 163.6 | 150.6 | -72.1 | -2.2 | 0 | 0 | 0 | 121.3 | ||||
| 609 | A | 25.6 | Very low | 27.4 | Very low | 84 Ų | 84 | 129.9 Ų | 129.9 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | cis | -175 | 159 | -29.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 610 | A | 24.7 | Very low | 26.6 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | trans | 64.7 | 167.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 611 | E | 23.1 | Very low | 26.9 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | -157.5 | 162.8 | -3.1 | -148 | -172.1 | 110.5 | 0 | 0 | 111.9 | ||||
| 612 | K | 24.2 | Very low | 27.9 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | 65.9 | 151.3 | 156.1 | -91.5 | -172.2 | -176.2 | 84.4 | 0 | 123.4 | ||||
| 613 | A | 24.8 | Very low | 28.1 | Very low | 82 Ų | 82 | 134.7 Ų | 134.7 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -108.3 | 176.1 | 159 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 614 | P | 37.6 | Very low | 28.3 | Very low | 110 Ų | 110 | 135 Ų | 135 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | -154.6 | 164.4 | 76.4 | 40.7 | -20.3 | 0 | 0 | 0 | 118.9 | |||||
| 615 | D | 25.5 | Very low | 28.4 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | 36.4 | 146.9 | 134.9 | -46.4 | -32.2 | 0 | 0 | 0 | 126.7 | ||||
| 616 | A | 27.5 | Very low | 28.6 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | trans | 96.5 | 120.7 | 138.4 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 617 | E | 25 | Very low | 28.8 | Very low | 199 Ų | 199 | 127.6 Ų | 127.6 | 93% | 0.93 | 77% | 0.767 | S | S | * | * | trans | 43.8 | 147.8 | 132.6 | -55.2 | -176.2 | 127.2 | 0 | 0 | 124.1 | ||||
| 618 | G | 23.9 | Very low | 28 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 146.8 | 81.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 619 | E | 25.4 | Very low | 28.2 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | trans | -8.3 | 151.4 | 154.9 | -77.2 | -158 | 84 | 0 | 0 | 126 | ||||
| 620 | R | 23.9 | Very low | 28.4 | Very low | 208 Ų | 208 | 126.5 Ų | 126.5 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 96.2 | 141.2 | 140.8 | -77.8 | 164.5 | -150 | -176.1 | 17.4 | 124.5 | ||||
| 621 | H | 30.6 | Very low | 28.5 | Very low | 186 Ų | 186 | 129.5 Ų | 129.5 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -75 | -173.6 | 165.5 | -80.8 | -148.5 | 0 | 0 | 0 | 111.9 | ||||
| 622 | P | 47.7 | Very low | 28.7 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | cis | -157.4 | -167.8 | 26.1 | 37.3 | -8.8 | 0 | 0 | 0 | 121.3 | ||||
| 623 | V | 29.6 | Very low | 28.8 | Very low | 135 Ų | 135 | 121.6 Ų | 121.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 78.6 | 135.2 | 151.9 | -113.9 | 0 | 0 | 0 | 0 | 127.5 | ||||
| 624 | A | 29.6 | Very low | 28.9 | Very low | 95 Ų | 95 | 123 Ų | 123 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 85.3 | 157.4 | 133.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 625 | D | 27.6 | Very low | 28.3 | Very low | 159 Ų | 159 | 125.2 Ų | 125.2 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | cis | -170.2 | 161.3 | -42.7 | -166.2 | 18.9 | 0 | 0 | 0 | 111.8 | ||||
| 626 | A | 30.5 | Very low | 28.4 | Very low | 94 Ų | 94 | 122.9 Ų | 122.9 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | trans | 65 | 147.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 627 | G | 25.9 | Very low | 28.5 | Very low | 72 Ų | 72 | 122.1 Ų | 122.1 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | cis | 168.5 | 154.6 | -11.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 628 | A | 29.7 | Very low | 28.5 | Very low | 109 Ų | 109 | 117.8 Ų | 117.8 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | 60 | 147.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 629 | A | 30.5 | Very low | 28.7 | Very low | 95 Ų | 95 | 119 Ų | 119 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | cis | -169.9 | 171.3 | -15.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 630 | A | 29.8 | Very low | 29.3 | Very low | 106 Ų | 106 | 116.9 Ų | 116.9 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | trans | 73.1 | 140.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 631 | D | 27.1 | Very low | 29.8 | Very low | 159 Ų | 159 | 113.6 Ų | 113.6 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | cis | -158.8 | 170 | -11.5 | -179 | 36.4 | 0 | 0 | 0 | 110.7 | ||||
| 632 | A | 27.3 | Very low | 30 | Very low | 87 Ų | 87 | 109.9 Ų | 109.9 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | trans | 85.4 | 109.3 | 162 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 633 | G | 24.6 | Very low | 29.4 | Very low | 77 Ų | 77 | 111.7 Ų | 111.7 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 123.3 | 111.6 | 138.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 634 | A | 26.7 | Very low | 29.8 | Very low | 112 Ų | 112 | 111 Ų | 111 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | trans | 66.3 | 135.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 635 | D | 26.6 | Very low | 30.1 | Very low | 156 Ų | 156 | 110.1 Ų | 110.1 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -126 | 136.4 | 166.1 | 179.2 | 19.4 | 0 | 0 | 0 | 109.3 | ||||
| 636 | A | 27.8 | Very low | 30.8 | Very low | 106 Ų | 106 | 105.2 Ų | 105.2 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | -161.1 | 70.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 637 | G | 28.3 | Very low | 31.3 | Very low | 69 Ų | 69 | 104.8 Ų | 104.8 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | 148.6 | 127.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 638 | A | 25.9 | Very low | 32.1 | Very low | 108 Ų | 108 | 108 Ų | 108 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | trans | -151.6 | 75.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 639 | A | 27.7 | Very low | 32.7 | Very low | 103 Ų | 103 | 109.3 Ų | 109.3 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | trans | -157.5 | 50.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 640 | A | 38.6 | Very low | 33.5 | Very low | 105 Ų | 105 | 109.6 Ų | 109.6 | 87% | 0.868 | 72% | 0.72 | S | S | * | * | trans | -142 | 46.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 641 | D | 34.3 | Very low | 34.4 | Very low | 140 Ų | 140 | 109 Ų | 109 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -149.9 | 74.4 | 169.4 | -156.4 | -9.9 | 0 | 0 | 0 | 111.6 | ||
| 642 | S | 34.8 | Very low | 35.4 | Very low | 107 Ų | 107 | 105.6 Ų | 105.6 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -158.6 | 5.4 | -178.4 | -54.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 643 | K | 35.3 | Very low | 36.5 | Very low | 151 Ų | 151 | 106.1 Ų | 106.1 | 66% | 0.657 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -105.6 | -46.7 | -167.7 | -165.2 | 177.3 | 178.5 | -172.6 | 0 | 113.3 | T645 A646 | K643-T645 PolarHBondContact O-N 3.04Å; K643-A646 VanDerWaalsContact O-CB 3.31Å; K643-A646 WeakPolarHBondContact O-CB 3.31Å; K643-A646 PolarHBondContact O-N 3.3Å |
| 644 | D | 36.6 | Very low | 37.7 | Very low | 121 Ų | 121 | 108.3 Ų | 108.3 | 65% | 0.647 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.2 | -29 | -172.3 | -55.7 | -28.7 | 0 | 0 | 0 | 111.9 | A646 D647 E648 | D644-A646 PolarHBondContact O-N 2.83Å; D644-A646 VanDerWaalsContact O-N 3.14Å; D644-D647 PolarHBondContact O-N 2.85Å; D644-E648 PolarHBondContact O-N 3.03Å |
| 645 | T | 35.5 | Very low | 38.4 | Very low | 77 Ų | 77 | 109.5 Ų | 109.5 | 47% | 0.472 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -65.6 | -11.2 | 172 | -13.4 | 0 | 0 | 0 | 0 | 114.4 | K643 K649 | K643-T645 PolarHBondContact O-N 3.04Å; T645-K649 WeakPolarHBondContact O-CD 3.26Å; T645-K649 WeakPolarHBondContact O-CG 3.5Å |
| 646 | A | 42.5 | Very low | 39.2 | Very low | 55 Ų | 55 | 105.8 Ų | 105.8 | 46% | 0.455 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -92 | -40.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K643 D644 K649 M650 | K643-A646 VanDerWaalsContact O-CB 3.31Å; K643-A646 WeakPolarHBondContact O-CB 3.31Å; K643-A646 PolarHBondContact O-N 3.3Å; D644-A646 PolarHBondContact O-N 2.83Å; D644-A646 VanDerWaalsContact O-N 3.14Å; A646-K649 PolarHBondContact O-N 3.37Å; A646-M650 PolarHBondContact O-N 3.49Å; A646-M650 VanDerWaalsContact O-N 3.1Å |
| 647 | D | 41.4 | Very low | 40 | Very low | 85 Ų | 85 | 105 Ų | 105 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.3 | -36.1 | 179.4 | -76.1 | -45.3 | 0 | 0 | 0 | 112 | D644 K649 M650 D651 | D644-D647 PolarHBondContact O-N 2.85Å; D647-K649 VanDerWaalsContact C-N 3.32Å; D647-K649 PolarHBondContact O-N 3.39Å; D647-M650 VanDerWaalsContact O-CB 3.29Å; D647-M650 WeakPolarHBondContact O-CB 3.42Å; D647-M650 PolarHBondContact O-N 3.09Å; D647-M650 VanDerWaalsContact O-N 3.13Å; D647-D651 PolarHBondContact O-N 3.43Å |
| 648 | E | 42.7 | Very low | 40.7 | Very low | 139 Ų | 139 | 105.9 Ų | 105.9 | 65% | 0.65 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.5 | -44.3 | 169.3 | -83.7 | -162.5 | 114.1 | 0 | 0 | 112.3 | D644 M650 D651 V652 | D644-E648 PolarHBondContact O-N 3.03Å; E648-M650 VanDerWaalsContact C-N 3.29Å; E648-M650 PolarHBondContact O-N 2.95Å; E648-D651 PolarHBondContact O-N 2.9Å; E648-V652 WeakPolarHBondContact O-CG2 3.31Å; E648-V652 PolarHBondContact O-N 3.42Å |
| 649 | K | 43.4 | Very low | 41.4 | Very low | 137 Ų | 137 | 106 Ų | 106 | 60% | 0.596 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65 | -35.9 | 178 | -71 | 176.5 | -175.4 | 171.9 | 0 | 111.5 | T645 A646 D647 D651 I653 | T645-K649 WeakPolarHBondContact O-CD 3.26Å; T645-K649 WeakPolarHBondContact O-CG 3.5Å; A646-K649 PolarHBondContact O-N 3.37Å; D647-K649 VanDerWaalsContact C-N 3.32Å; D647-K649 PolarHBondContact O-N 3.39Å; K649-D651 VanDerWaalsContact C-N 3.34Å; K649-I653 WeakPolarHBondContact O-CD1 3.46Å; K649-I653 VanDerWaalsContact O-CG1 3.24Å; K649-I653 WeakPolarHBondContact O-CG1 3.21Å; K649-I653 PolarHBondContact O-N 3.29Å |
| 650 | M | 47.4 | Very low | 42.3 | Very low | 101 Ų | 101 | 104.1 Ų | 104.1 | 50% | 0.498 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.5 | -41.7 | 174.7 | -165.2 | 80 | 72.8 | 0 | 0 | 111.5 | A646 D647 E648 I653 K654 | A646-M650 PolarHBondContact O-N 3.49Å; A646-M650 VanDerWaalsContact O-N 3.1Å; D647-M650 VanDerWaalsContact O-CB 3.29Å; D647-M650 WeakPolarHBondContact O-CB 3.42Å; D647-M650 PolarHBondContact O-N 3.09Å; D647-M650 VanDerWaalsContact O-N 3.13Å; E648-M650 VanDerWaalsContact C-N 3.29Å; E648-M650 PolarHBondContact O-N 2.95Å; M650-I653 PolarHBondContact O-N 2.95Å; M650-K654 WeakPolarHBondContact O-CG 3.21Å; M650-K654 PolarHBondContact O-N 2.87Å |
| 651 | D | 47.5 | Very low | 42.7 | Very low | 93 Ų | 93 | 106.9 Ų | 106.9 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -76.5 | -34.2 | -179.9 | -78.9 | -19.4 | 0 | 0 | 0 | 113.5 | D647 E648 K649 I653 K654 K655 | D647-D651 PolarHBondContact O-N 3.43Å; E648-D651 PolarHBondContact O-N 2.9Å; K649-D651 VanDerWaalsContact C-N 3.34Å; D651-I653 VanDerWaalsContact C-N 3.3Å; D651-I653 PolarHBondContact O-N 3.28Å; D651-K654 PolarHBondContact O-N 3.39Å; D651-K654 VanDerWaalsContact OD1-CD 3.29Å; D651-K654 WeakPolarHBondContact OD1-CD 3.43Å; D651-K654 WeakPolarHBondContact OD1-CE 3.36Å; D651-K654 IonicContact OD1-NZ 3.74Å; D651-K654 PolarHBondContact OD1-NZ 3.5Å; D651-K655 PolarHBondContact O-N 3.05Å |
| 652 | V | 48 | Very low | 43.2 | Very low | 88 Ų | 88 | 104.5 Ų | 104.5 | 53% | 0.533 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.4 | -41.2 | 168.4 | 172.6 | 0 | 0 | 0 | 0 | 111 | E648 K655 L656 | E648-V652 WeakPolarHBondContact O-CG2 3.31Å; E648-V652 PolarHBondContact O-N 3.42Å; V652-K655 PolarHBondContact O-N 2.86Å; V652-L656 HydrophobicContact CG1-CD1 4.13Å; V652-L656 WeakPolarHBondContact O-CG 3.5Å; V652-L656 PolarHBondContact O-N 3.47Å |
| 653 | I | 50.5 | Low | 43.9 | Very low | 99 Ų | 99 | 105.5 Ų | 105.5 | 51% | 0.508 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.9 | -43.7 | 175.4 | -69.8 | 164.8 | 0 | 0 | 0 | 111.3 | K649 M650 D651 K655 L656 V657 | K649-I653 WeakPolarHBondContact O-CD1 3.46Å; K649-I653 VanDerWaalsContact O-CG1 3.24Å; K649-I653 WeakPolarHBondContact O-CG1 3.21Å; K649-I653 PolarHBondContact O-N 3.29Å; M650-I653 PolarHBondContact O-N 2.95Å; D651-I653 VanDerWaalsContact C-N 3.3Å; D651-I653 PolarHBondContact O-N 3.28Å; I653-K655 VanDerWaalsContact C-N 3.27Å; I653-K655 PolarHBondContact O-N 2.9Å; I653-L656 PolarHBondContact O-N 2.82Å; I653-V657 HydrophobicContact CG2-CG2 4.45Å; I653-V657 WeakPolarHBondContact O-CB 3.42Å; I653-V657 VanDerWaalsContact O-CG2 3.32Å; I653-V657 WeakPolarHBondContact O-CG2 3.23Å; I653-V657 PolarHBondContact O-N 2.89Å |
| 654 | K | 50 | Low | 44.3 | Very low | 122 Ų | 122 | 104.7 Ų | 104.7 | 53% | 0.53 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.1 | -39.7 | 174.6 | -70.8 | 171.4 | -154.6 | 157.2 | 0 | 111.9 | M650 D651 V657 A658 | M650-K654 WeakPolarHBondContact O-CG 3.21Å; M650-K654 PolarHBondContact O-N 2.87Å; D651-K654 PolarHBondContact O-N 3.39Å; D651-K654 VanDerWaalsContact OD1-CD 3.29Å; D651-K654 WeakPolarHBondContact OD1-CD 3.43Å; D651-K654 WeakPolarHBondContact OD1-CE 3.36Å; D651-K654 IonicContact OD1-NZ 3.74Å; D651-K654 PolarHBondContact OD1-NZ 3.5Å; K654-V657 PolarHBondContact O-N 3.38Å; K654-A658 PolarHBondContact O-N 2.78Å |
| 655 | K | 41.9 | Very low | 45 | Very low | 138 Ų | 138 | 102.2 Ų | 102.2 | 60% | 0.6 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.6 | -48 | 178.8 | -166.2 | 177.4 | 179.4 | -175.3 | 0 | 112.1 | D651 V652 I653 V657 A658 E659 | D651-K655 PolarHBondContact O-N 3.05Å; V652-K655 PolarHBondContact O-N 2.86Å; I653-K655 VanDerWaalsContact C-N 3.27Å; I653-K655 PolarHBondContact O-N 2.9Å; K655-V657 VanDerWaalsContact C-N 3.28Å; K655-V657 PolarHBondContact O-N 2.94Å; K655-A658 WeakPolarHBondContact O-CB 3.5Å; K655-A658 PolarHBondContact O-N 3.19Å; K655-A658 VanDerWaalsContact O-N 3.09Å; K655-E659 WeakPolarHBondContact CE-OE1 3.43Å; K655-E659 PolarHBondContact O-N 3.41Å |
| 656 | L | 43.3 | Very low | 45.6 | Very low | 78 Ų | 78 | 101.7 Ų | 101.7 | 41% | 0.408 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.1 | -32.2 | 176 | -70.2 | 167.3 | 0 | 0 | 0 | 113.1 | V652 I653 L662 | V652-L656 HydrophobicContact CG1-CD1 4.13Å; V652-L656 WeakPolarHBondContact O-CG 3.5Å; V652-L656 PolarHBondContact O-N 3.47Å; I653-L656 PolarHBondContact O-N 2.82Å; L656-L662 HydrophobicContact CB-CD1 3.86Å |
| 657 | V | 45 | Very low | 46.1 | Very low | 88 Ų | 88 | 104.3 Ų | 104.3 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.7 | -36.6 | 173 | 169.1 | 0 | 0 | 0 | 0 | 111.7 | I653 K654 K655 E659 G660 L662 | I653-V657 HydrophobicContact CG2-CG2 4.45Å; I653-V657 WeakPolarHBondContact O-CB 3.42Å; I653-V657 VanDerWaalsContact O-CG2 3.32Å; I653-V657 WeakPolarHBondContact O-CG2 3.23Å; I653-V657 PolarHBondContact O-N 2.89Å; K654-V657 PolarHBondContact O-N 3.38Å; K655-V657 VanDerWaalsContact C-N 3.28Å; K655-V657 PolarHBondContact O-N 2.94Å; V657-E659 VanDerWaalsContact C-N 3.34Å; V657-G660 PolarHBondContact O-N 3.3Å; V657-L662 HydrophobicContact CG2-CD1 4.39Å |
| 658 | A | 43.2 | Very low | 46.7 | Very low | 88 Ų | 88 | 105.3 Ų | 105.3 | 73% | 0.727 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.3 | -29.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K654 K655 G660 | K654-A658 PolarHBondContact O-N 2.78Å; K655-A658 WeakPolarHBondContact O-CB 3.5Å; K655-A658 PolarHBondContact O-N 3.19Å; K655-A658 VanDerWaalsContact O-N 3.09Å; A658-G660 VanDerWaalsContact C-N 3.26Å; A658-G660 PolarHBondContact O-N 3.29Å |
| 659 | E | 40.9 | Very low | 47.8 | Very low | 110 Ų | 110 | 104.1 Ų | 104.1 | 51% | 0.514 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80 | -3.5 | 176.9 | -70.7 | 167 | -177.6 | 0 | 0 | 113.2 | K655 V657 Q661 | K655-E659 WeakPolarHBondContact CE-OE1 3.43Å; K655-E659 PolarHBondContact O-N 3.41Å; V657-E659 VanDerWaalsContact C-N 3.34Å; E659-Q661 PolarHBondContact O-N 2.94Å |
| 660 | G | 45.8 | Very low | 48.7 | Very low | 65 Ų | 65 | 100.9 Ų | 100.9 | 67% | 0.67 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.6 | 16.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | V657 A658 | V657-G660 PolarHBondContact O-N 3.3Å; A658-G660 VanDerWaalsContact C-N 3.26Å; A658-G660 PolarHBondContact O-N 3.29Å |
| 661 | Q | 45.8 | Very low | 49.9 | Very low | 163 Ų | 163 | 100.1 Ų | 100.1 | 76% | 0.762 | 55% | 0.55 | S | S | * | . | trans | -98 | 7 | -173.3 | -63.3 | -157.9 | -90.4 | 0 | 0 | 115.9 | E659 | E659-Q661 PolarHBondContact O-N 2.94Š| ||
| 662 | L | 46.5 | Very low | 50.9 | Low | 89 Ų | 89 | 101.5 Ų | 101.5 | 47% | 0.466 | 55% | 0.551 | S | S | . | * | trans | -94.2 | 126.2 | -179.6 | -86.4 | 90.5 | 0 | 0 | 0 | 113.9 | L656 V657 V666 | L656-L662 HydrophobicContact CB-CD1 3.86Å; V657-L662 HydrophobicContact CG2-CD1 4.39Å; L662-V666 HydrophobicContact CD2-CB 4.19Å; L662-V666 HydrophobicContact CD2-CG1 3.87Å | ||
| 663 | D | 49.2 | Very low | 52.2 | Low | 129 Ų | 129 | 102 Ų | 102 | 69% | 0.69 | 55% | 0.548 | S | S | * | . | trans | -73.4 | 153.2 | -178.5 | -151.4 | -30 | 0 | 0 | 0 | 112.7 | A665 V666 | D663-A665 PolarHBondContact O-N 2.92Å; D663-V666 PolarHBondContact O-N 3.42Å | ||
| 664 | H | 44.1 | Very low | 52.7 | Low | 134 Ų | 134 | 102.5 Ų | 102.5 | 62% | 0.62 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.5 | -25.7 | -167.3 | -162.8 | -9.8 | 0 | 0 | 0 | 113.3 | ||
| 665 | A | 49.8 | Very low | 53 | Low | 69 Ų | 69 | 102.8 Ų | 102.8 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.5 | -37.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D663 L667 L668 Q669 | D663-A665 PolarHBondContact O-N 2.92Å; A665-L667 PolarHBondContact O-N 3.32Å; A665-L668 PolarHBondContact O-N 2.93Å; A665-Q669 PolarHBondContact O-N 3.19Å |
| 666 | V | 49.8 | Very low | 54.6 | Low | 66 Ų | 66 | 101.4 Ų | 101.4 | 40% | 0.4 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.5 | -35.4 | -176 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | L662 D663 L668 Q669 V670 | L662-V666 HydrophobicContact CD2-CB 4.19Å; L662-V666 HydrophobicContact CD2-CG1 3.87Å; D663-V666 PolarHBondContact O-N 3.42Å; V666-L668 VanDerWaalsContact C-N 3.28Å; V666-L668 PolarHBondContact O-N 3.4Å; V666-Q669 WeakPolarHBondContact O-CB 3.13Å; V666-Q669 PolarHBondContact O-N 2.9Å; V666-Q669 VanDerWaalsContact O-N 3.15Å; V666-V670 WeakPolarHBondContact O-CG2 3.36Å; V666-V670 PolarHBondContact O-N 2.9Å |
| 667 | L | 50.9 | Low | 55.4 | Low | 109 Ų | 109 | 103.1 Ų | 103.1 | 57% | 0.571 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.3 | -36.4 | 174.2 | -172.9 | 64.5 | 0 | 0 | 0 | 112 | A665 I671 | A665-L667 PolarHBondContact O-N 3.32Å; L667-I671 HydrophobicContact CG-CD1 4.22Å; L667-I671 WeakPolarHBondContact O-CD1 3.32Å; L667-I671 VanDerWaalsContact O-CG1 3.24Å; L667-I671 WeakPolarHBondContact O-CG1 3.42Å; L667-I671 PolarHBondContact O-N 3.01Å; L667-I671 VanDerWaalsContact O-N 3.11Å |
| 668 | L | 54.8 | Low | 55.7 | Low | 107 Ų | 107 | 105.5 Ų | 105.5 | 56% | 0.56 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.1 | -35.3 | 174.3 | -68 | 172 | 0 | 0 | 0 | 112.2 | A665 V666 K672 | A665-L668 PolarHBondContact O-N 2.93Å; V666-L668 VanDerWaalsContact C-N 3.28Å; V666-L668 PolarHBondContact O-N 3.4Å; L668-K672 WeakPolarHBondContact O-CB 3.32Å; L668-K672 PolarHBondContact O-N 3.27Å |
| 669 | Q | 66.4 | Low | 57.4 | Low | 113 Ų | 113 | 107.4 Ų | 107.4 | 53% | 0.528 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.2 | -51.4 | 173.5 | -164.7 | 76.7 | -3.2 | 0 | 0 | 110.8 | A665 V666 I671 K672 E673 | A665-Q669 PolarHBondContact O-N 3.19Å; V666-Q669 WeakPolarHBondContact O-CB 3.13Å; V666-Q669 PolarHBondContact O-N 2.9Å; V666-Q669 VanDerWaalsContact O-N 3.15Å; Q669-I671 PolarHBondContact O-N 3.43Å; Q669-K672 WeakPolarHBondContact O-CB 3.36Å; Q669-K672 PolarHBondContact O-N 2.98Å; Q669-K672 VanDerWaalsContact O-N 3.07Å; Q669-E673 PolarHBondContact O-N 3.49Å |
| 670 | V | 62.8 | Low | 59 | Low | 70 Ų | 70 | 110.8 Ų | 110.8 | 42% | 0.424 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63 | -40.1 | 179.6 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | V666 K672 E673 Q674 | V666-V670 WeakPolarHBondContact O-CG2 3.36Å; V666-V670 PolarHBondContact O-N 2.9Å; V670-K672 VanDerWaalsContact C-N 3.28Å; V670-K672 PolarHBondContact O-N 3.05Å; V670-E673 PolarHBondContact O-N 2.86Å; V670-Q674 WeakPolarHBondContact O-CB 3.33Å; V670-Q674 WeakPolarHBondContact O-CG 3.43Å; V670-Q674 PolarHBondContact O-N 3.27Å |
| 671 | I | 72.1 | Confident | 60.3 | Low | 84 Ų | 84 | 112.6 Ų | 112.6 | 43% | 0.431 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.8 | -37.9 | 174.5 | -71.4 | 165.8 | 0 | 0 | 0 | 111.2 | L667 Q669 Q675 | L667-I671 HydrophobicContact CG-CD1 4.22Å; L667-I671 WeakPolarHBondContact O-CD1 3.32Å; L667-I671 VanDerWaalsContact O-CG1 3.24Å; L667-I671 WeakPolarHBondContact O-CG1 3.42Å; L667-I671 PolarHBondContact O-N 3.01Å; L667-I671 VanDerWaalsContact O-N 3.11Å; Q669-I671 PolarHBondContact O-N 3.43Å; I671-Q675 WeakPolarHBondContact O-CG 3.36Å; I671-Q675 PolarHBondContact O-N 3.1Å; I671-Q675 VanDerWaalsContact O-N 3.13Å |
| 672 | K | 68.7 | Low | 61.4 | Low | 122 Ų | 122 | 110 Ų | 110 | 53% | 0.53 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.4 | -42.5 | 178 | -168 | -174.1 | 176.1 | -162.6 | 0 | 111.9 | L668 Q669 V670 Q674 Q675 E676 | L668-K672 WeakPolarHBondContact O-CB 3.32Å; L668-K672 PolarHBondContact O-N 3.27Å; Q669-K672 WeakPolarHBondContact O-CB 3.36Å; Q669-K672 PolarHBondContact O-N 2.98Å; Q669-K672 VanDerWaalsContact O-N 3.07Å; V670-K672 VanDerWaalsContact C-N 3.28Å; V670-K672 PolarHBondContact O-N 3.05Å; K672-Q674 VanDerWaalsContact C-N 3.34Å; K672-Q674 PolarHBondContact O-N 3.31Å; K672-Q675 PolarHBondContact O-N 2.95Å; K672-Q675 VanDerWaalsContact O-N 3.17Å; K672-E676 PolarHBondContact O-N 3.47Å |
| 673 | E | 74.4 | Confident | 62.9 | Low | 100 Ų | 100 | 109.3 Ų | 109.3 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 174 | -71.6 | -178.7 | 130.8 | 0 | 0 | 112 | Q669 V670 Q675 E676 Q677 | Q669-E673 PolarHBondContact O-N 3.49Å; V670-E673 PolarHBondContact O-N 2.86Å; E673-Q675 VanDerWaalsContact C-N 3.32Å; E673-Q675 PolarHBondContact O-N 3.39Å; E673-E676 PolarHBondContact O-N 2.95Å; E673-Q677 WeakPolarHBondContact O-CG 3.32Å; E673-Q677 PolarHBondContact O-N 3.44Å |
| 674 | Q | 61.6 | Low | 63.8 | Low | 108 Ų | 108 | 109 Ų | 109 | 51% | 0.505 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 173.3 | -74.4 | -63.2 | -68.8 | 0 | 0 | 112.2 | V670 K672 Q678 | V670-Q674 WeakPolarHBondContact O-CB 3.33Å; V670-Q674 WeakPolarHBondContact O-CG 3.43Å; V670-Q674 PolarHBondContact O-N 3.27Å; K672-Q674 VanDerWaalsContact C-N 3.34Å; K672-Q674 PolarHBondContact O-N 3.31Å; Q674-Q678 WeakPolarHBondContact O-CB 3.31Å; Q674-Q678 PolarHBondContact O-N 3.24Å |
| 675 | Q | 56.9 | Low | 64.7 | Low | 129 Ų | 129 | 109.2 Ų | 109.2 | 60% | 0.603 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.6 | -37.3 | 173.7 | -73.5 | -175.4 | -22.4 | 0 | 0 | 112.7 | I671 K672 E673 Q678 K679 | I671-Q675 WeakPolarHBondContact O-CG 3.36Å; I671-Q675 PolarHBondContact O-N 3.1Å; I671-Q675 VanDerWaalsContact O-N 3.13Å; K672-Q675 PolarHBondContact O-N 2.95Å; K672-Q675 VanDerWaalsContact O-N 3.17Å; E673-Q675 VanDerWaalsContact C-N 3.32Å; E673-Q675 PolarHBondContact O-N 3.39Å; Q675-Q678 PolarHBondContact O-N 2.87Å; Q675-K679 WeakPolarHBondContact O-CB 3.44Å; Q675-K679 PolarHBondContact O-N 2.96Å |
| 676 | E | 74.9 | Confident | 65.8 | Low | 108 Ų | 108 | 112.8 Ų | 112.8 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.7 | -36 | 175.6 | -75.3 | -169.8 | 138.8 | 0 | 0 | 113 | K672 E673 K679 R680 | K672-E676 PolarHBondContact O-N 3.47Å; E673-E676 PolarHBondContact O-N 2.95Å; E676-K679 PolarHBondContact O-N 3.03Å; E676-R680 WeakPolarHBondContact O-CB 3.5Å; E676-R680 WeakPolarHBondContact O-CG 3.49Å; E676-R680 PolarHBondContact O-N 2.88Å |
| 677 | Q | 58.9 | Low | 67.1 | Low | 114 Ų | 114 | 117 Ų | 117 | 53% | 0.533 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.7 | -45.1 | 169.7 | -75 | -175 | -12 | 0 | 0 | 111.1 | E673 K679 R680 L681 | E673-Q677 WeakPolarHBondContact O-CG 3.32Å; E673-Q677 PolarHBondContact O-N 3.44Å; Q677-K679 VanDerWaalsContact C-N 3.32Å; Q677-K679 PolarHBondContact O-N 3.44Å; Q677-R680 PolarHBondContact O-N 3.4Å; Q677-L681 PolarHBondContact O-N 3.14Å; Q677-L681 VanDerWaalsContact O-N 3.08Å |
| 678 | Q | 52.9 | Low | 67.9 | Low | 138 Ų | 138 | 117.4 Ų | 117.4 | 65% | 0.645 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.7 | -34.3 | 178 | -163.8 | 171.2 | 35.7 | 0 | 0 | 112.4 | Q674 Q675 L682 | Q674-Q678 WeakPolarHBondContact O-CB 3.31Å; Q674-Q678 PolarHBondContact O-N 3.24Å; Q675-Q678 PolarHBondContact O-N 2.87Å; Q678-L682 PolarHBondContact O-N 3.21Å |
| 679 | K | 77.3 | Confident | 68.6 | Low | 129 Ų | 129 | 118 Ų | 118 | 56% | 0.561 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.2 | -46.9 | 171.3 | -171.4 | -173.1 | 173.1 | -167.7 | 0 | 112 | Q675 E676 Q677 L681 L682 D683 | Q675-K679 WeakPolarHBondContact O-CB 3.44Å; Q675-K679 PolarHBondContact O-N 2.96Å; E676-K679 PolarHBondContact O-N 3.03Å; Q677-K679 VanDerWaalsContact C-N 3.32Å; Q677-K679 PolarHBondContact O-N 3.44Å; K679-L681 PolarHBondContact O-N 3.35Å; K679-L682 WeakPolarHBondContact O-CA 3.27Å; K679-L682 WeakPolarHBondContact O-CB 3.19Å; K679-L682 PolarHBondContact O-N 3.23Å; K679-D683 PolarHBondContact O-N 3.42Å |
| 680 | R | 75.3 | Confident | 69.2 | Low | 181 Ų | 181 | 115.1 Ų | 115.1 | 68% | 0.683 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.3 | -33 | 178.5 | -75.8 | 176.2 | -178.6 | -109.7 | 3.9 | 112.7 | E676 Q677 Q684 | E676-R680 WeakPolarHBondContact O-CB 3.5Å; E676-R680 WeakPolarHBondContact O-CG 3.49Å; E676-R680 PolarHBondContact O-N 2.88Å; Q677-R680 PolarHBondContact O-N 3.4Å; R680-Q684 WeakPolarHBondContact O-CB 3.3Å; R680-Q684 WeakPolarHBondContact O-CG 3.42Å; R680-Q684 PolarHBondContact O-N 3.2Å |
| 681 | L | 73.6 | Confident | 70 | Confident | 103 Ų | 103 | 115.7 Ų | 115.7 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.4 | -32.1 | 172.9 | -75.3 | 168.4 | 0 | 0 | 0 | 113.3 | Q677 K679 Q685 | Q677-L681 PolarHBondContact O-N 3.14Å; Q677-L681 VanDerWaalsContact O-N 3.08Å; K679-L681 PolarHBondContact O-N 3.35Å; L681-Q685 WeakPolarHBondContact O-CG 3.49Å; L681-Q685 PolarHBondContact O-N 3.4Å; L681-Q685 VanDerWaalsContact O-N 3.15Å |
| 682 | L | 69.4 | Low | 70 | Confident | 109 Ų | 109 | 116.4 Ų | 116.4 | 57% | 0.571 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.8 | -48.2 | 172.3 | -75.3 | 162.4 | 0 | 0 | 0 | 111 | Q678 K679 Q684 Q685 E686 | Q678-L682 PolarHBondContact O-N 3.21Å; K679-L682 WeakPolarHBondContact O-CA 3.27Å; K679-L682 WeakPolarHBondContact O-CB 3.19Å; K679-L682 PolarHBondContact O-N 3.23Å; L682-Q684 PolarHBondContact O-N 3.26Å; L682-Q685 PolarHBondContact O-N 3.37Å; L682-E686 PolarHBondContact O-N 2.8Å |
| 683 | D | 76.8 | Confident | 69.9 | Low | 73 Ų | 73 | 117.4 Ų | 117.4 | 39% | 0.39 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -57.1 | -34.6 | 175.3 | -66.1 | 11.6 | 0 | 0 | 0 | 111.5 | K679 K687 | K679-D683 PolarHBondContact O-N 3.42Å; D683-K687 WeakPolarHBondContact O-CG 3.25Å; D683-K687 PolarHBondContact O-N 3.15Å; D683-K687 VanDerWaalsContact O-N 3.09Å |
| 684 | Q | 69 | Low | 69.9 | Low | 122 Ų | 122 | 119 Ų | 119 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.9 | -39.5 | 172.7 | -84 | -170.9 | -43.7 | 0 | 0 | 113.4 | R680 L682 L688 | R680-Q684 WeakPolarHBondContact O-CB 3.3Å; R680-Q684 WeakPolarHBondContact O-CG 3.42Å; R680-Q684 PolarHBondContact O-N 3.2Å; L682-Q684 PolarHBondContact O-N 3.26Å; Q684-L688 PolarHBondContact O-N 3.11Å |
| 685 | Q | 61.6 | Low | 69.6 | Low | 139 Ų | 139 | 118.9 Ų | 118.9 | 65% | 0.65 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.8 | -38.1 | 175.3 | -75.3 | -172.9 | 18.6 | 0 | 0 | 112 | L681 L682 L688 L689 | L681-Q685 WeakPolarHBondContact O-CG 3.49Å; L681-Q685 PolarHBondContact O-N 3.4Å; L681-Q685 VanDerWaalsContact O-N 3.15Å; L682-Q685 PolarHBondContact O-N 3.37Å; Q685-L688 PolarHBondContact O-N 3.01Å; Q685-L689 WeakPolarHBondContact O-CB 3.35Å; Q685-L689 PolarHBondContact O-N 3.28Å |
| 686 | E | 74.3 | Confident | 69.4 | Low | 144 Ų | 144 | 118.5 Ų | 118.5 | 67% | 0.673 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.4 | -42.5 | 175.7 | -169.1 | 169.1 | 175.1 | 0 | 0 | 111.3 | L682 L689 A690 | L682-E686 PolarHBondContact O-N 2.8Å; E686-L689 PolarHBondContact O-N 3.41Å; E686-A690 PolarHBondContact O-N 2.96Å |
| 687 | K | 76.3 | Confident | 68.7 | Low | 156 Ų | 156 | 120.9 Ų | 120.9 | 68% | 0.678 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.2 | -39.9 | 172.3 | -77 | -176 | 175.8 | -174.3 | 0 | 113.5 | D683 L689 A690 V691 | D683-K687 WeakPolarHBondContact O-CG 3.25Å; D683-K687 PolarHBondContact O-N 3.15Å; D683-K687 VanDerWaalsContact O-N 3.09Å; K687-L689 VanDerWaalsContact C-N 3.3Å; K687-L689 PolarHBondContact O-N 3.41Å; K687-A690 PolarHBondContact O-N 3.24Å; K687-V691 WeakPolarHBondContact O-CG2 3.35Å; K687-V691 PolarHBondContact O-N 3.26Å |
| 688 | L | 67.9 | Low | 68.7 | Low | 117 Ų | 117 | 119.3 Ų | 119.3 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62 | -39.8 | 173 | -108.3 | 73 | 0 | 0 | 0 | 111.5 | Q684 Q685 V691 I692 | Q684-L688 PolarHBondContact O-N 3.11Å; Q685-L688 PolarHBondContact O-N 3.01Å; L688-V691 PolarHBondContact O-N 3.35Å; L688-I692 WeakPolarHBondContact O-CB 3.31Å; L688-I692 WeakPolarHBondContact O-CD1 3.5Å; L688-I692 VanDerWaalsContact O-CG1 3.23Å; L688-I692 WeakPolarHBondContact O-CG1 3.46Å; L688-I692 PolarHBondContact O-N 3.23Å |
| 689 | L | 70.5 | Confident | 68.8 | Low | 118 Ų | 118 | 118.4 Ų | 118.4 | 62% | 0.618 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65 | -43.8 | 179 | -152.4 | 76.4 | 0 | 0 | 0 | 111.5 | Q685 E686 K687 I692 E693 | Q685-L689 WeakPolarHBondContact O-CB 3.35Å; Q685-L689 PolarHBondContact O-N 3.28Å; E686-L689 PolarHBondContact O-N 3.41Å; K687-L689 VanDerWaalsContact C-N 3.3Å; K687-L689 PolarHBondContact O-N 3.41Å; L689-I692 PolarHBondContact O-N 3.12Å; L689-E693 WeakPolarHBondContact O-CB 3.2Å; L689-E693 PolarHBondContact O-N 3.41Å |
| 690 | A | 78.1 | Confident | 67.5 | Low | 54 Ų | 54 | 119.9 Ų | 119.9 | 45% | 0.446 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.9 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E686 K687 I692 E693 E694 | E686-A690 PolarHBondContact O-N 2.96Å; K687-A690 PolarHBondContact O-N 3.24Å; A690-I692 VanDerWaalsContact C-N 3.35Å; A690-I692 PolarHBondContact O-N 2.93Å; A690-E693 PolarHBondContact O-N 3.41Å; A690-E694 WeakPolarHBondContact O-CB 3.47Å; A690-E694 PolarHBondContact O-N 3.03Å |
| 691 | V | 79.5 | Confident | 66.2 | Low | 82 Ų | 82 | 119.1 Ų | 119.1 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.5 | -37.7 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | K687 L688 Q695 | K687-V691 WeakPolarHBondContact O-CG2 3.35Å; K687-V691 PolarHBondContact O-N 3.26Å; L688-V691 PolarHBondContact O-N 3.35Å; V691-Q695 HydrophobicContact CG1-CG 4.39Å; V691-Q695 VanDerWaalsContact O-CB 3.32Å; V691-Q695 WeakPolarHBondContact O-CB 3.49Å; V691-Q695 WeakPolarHBondContact O-CG 3.43Å; V691-Q695 PolarHBondContact O-N 2.96Å |
| 692 | I | 71.6 | Confident | 64.6 | Low | 99 Ų | 99 | 121.4 Ų | 121.4 | 51% | 0.508 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.3 | -40 | 175.2 | -70.7 | 163.2 | 0 | 0 | 0 | 111.3 | L688 L689 A690 H696 | L688-I692 WeakPolarHBondContact O-CB 3.31Å; L688-I692 WeakPolarHBondContact O-CD1 3.5Å; L688-I692 VanDerWaalsContact O-CG1 3.23Å; L688-I692 WeakPolarHBondContact O-CG1 3.46Å; L688-I692 PolarHBondContact O-N 3.23Å; L689-I692 PolarHBondContact O-N 3.12Å; A690-I692 VanDerWaalsContact C-N 3.35Å; A690-I692 PolarHBondContact O-N 2.93Å; I692-H696 PolarHBondContact O-N 2.91Å |
| 693 | E | 66.6 | Low | 62.9 | Low | 143 Ų | 143 | 124.8 Ų | 124.8 | 67% | 0.668 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.2 | -39.7 | 177.6 | -169.9 | 167.2 | -151.3 | 0 | 0 | 111.8 | L689 A690 H696 K697 | L689-E693 WeakPolarHBondContact O-CB 3.2Å; L689-E693 PolarHBondContact O-N 3.41Å; A690-E693 PolarHBondContact O-N 3.41Å; E693-H696 PolarHBondContact O-N 2.87Å; E693-K697 WeakPolarHBondContact O-CB 3.22Å; E693-K697 PolarHBondContact O-N 3.35Å |
| 694 | E | 74.4 | Confident | 60.8 | Low | 133 Ų | 133 | 127.2 Ų | 127.2 | 62% | 0.621 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.8 | -43.2 | 173.6 | -172 | 162.8 | -137.2 | 0 | 0 | 112 | A690 H696 K697 E698 | A690-E694 WeakPolarHBondContact O-CB 3.47Å; A690-E694 PolarHBondContact O-N 3.03Å; E694-H696 PolarHBondContact O-N 3.13Å; E694-K697 WeakPolarHBondContact O-CB 3.47Å; E694-K697 PolarHBondContact O-N 3.27Å; E694-K697 VanDerWaalsContact O-N 3.13Å; E694-E698 PolarHBondContact O-N 3.48Å |
| 695 | Q | 54.9 | Low | 59 | Low | 105 Ų | 105 | 125.6 Ų | 125.6 | 49% | 0.491 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -61.6 | -41.6 | 172.4 | -73.7 | -89.6 | -86.7 | 0 | 0 | 112.4 | V691 K697 E698 I699 | V691-Q695 HydrophobicContact CG1-CG 4.39Å; V691-Q695 VanDerWaalsContact O-CB 3.32Å; V691-Q695 WeakPolarHBondContact O-CB 3.49Å; V691-Q695 WeakPolarHBondContact O-CG 3.43Å; V691-Q695 PolarHBondContact O-N 2.96Å; Q695-K697 PolarHBondContact O-N 2.71Å; Q695-E698 PolarHBondContact NE2-OE2 2.92Å; Q695-E698 PolarHBondContact O-N 3.49Å; Q695-I699 WeakPolarHBondContact O-CD1 3.29Å; Q695-I699 VanDerWaalsContact O-CG1 3.24Å; Q695-I699 WeakPolarHBondContact O-CG1 3.47Å; Q695-I699 PolarHBondContact O-N 3.36Å |
| 696 | H | 52.7 | Low | 57.3 | Low | 121 Ų | 121 | 122.9 Ų | 122.9 | 56% | 0.56 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61.2 | -35.8 | 173.8 | -119.9 | 67.4 | 0 | 0 | 0 | 112.1 | I692 E693 E694 H700 | I692-H696 PolarHBondContact O-N 2.91Å; E693-H696 PolarHBondContact O-N 2.87Å; E694-H696 PolarHBondContact O-N 3.13Å; H696-H700 PolarHBondContact O-CD2 3.43Å; H696-H700 PolarHBondContact O-N 3.31Å |
| 697 | K | 60.6 | Low | 55.2 | Low | 159 Ų | 159 | 120.9 Ų | 120.9 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.5 | -40.1 | 179.4 | -156.1 | 172.5 | -174.7 | 177.5 | 0 | 112.3 | E693 E694 Q695 H700 Q701 | E693-K697 WeakPolarHBondContact O-CB 3.22Å; E693-K697 PolarHBondContact O-N 3.35Å; E694-K697 WeakPolarHBondContact O-CB 3.47Å; E694-K697 PolarHBondContact O-N 3.27Å; E694-K697 VanDerWaalsContact O-N 3.13Å; Q695-K697 PolarHBondContact O-N 2.71Å; K697-H700 PolarHBondContact O-N 3.46Å; K697-Q701 PolarHBondContact O-N 2.87Å |
| 698 | E | 60 | Low | 52.9 | Low | 81 Ų | 81 | 117.9 Ų | 117.9 | 38% | 0.379 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -61.3 | -45.4 | 170.9 | -84.7 | -152.1 | 90.8 | 0 | 0 | 112.5 | E694 Q695 H700 Q701 K702 | E694-E698 PolarHBondContact O-N 3.48Å; Q695-E698 PolarHBondContact NE2-OE2 2.92Å; Q695-E698 PolarHBondContact O-N 3.49Å; E698-H700 VanDerWaalsContact C-N 3.28Å; E698-H700 PolarHBondContact O-N 3.23Å; E698-Q701 PolarHBondContact O-N 2.99Å; E698-K702 PolarHBondContact O-N 3.31Å; E698-K702 IonicContact OE1-NZ 3.43Å; E698-K702 PolarHBondContact OE1-NZ 2.96Å |
| 699 | I | 53.9 | Low | 51.1 | Low | 118 Ų | 118 | 119.6 Ų | 119.6 | 61% | 0.605 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -59.7 | -41 | -179.5 | -71 | 164.4 | 0 | 0 | 0 | 110.5 | Q695 Q701 | Q695-I699 WeakPolarHBondContact O-CD1 3.29Å; Q695-I699 VanDerWaalsContact O-CG1 3.24Å; Q695-I699 WeakPolarHBondContact O-CG1 3.47Å; Q695-I699 PolarHBondContact O-N 3.36Å; I699-Q701 VanDerWaalsContact C-N 3.28Å; I699-Q701 PolarHBondContact O-N 2.88Å |
| 700 | H | 51 | Low | 49 | Very low | 160 Ų | 160 | 120.4 Ų | 120.4 | 74% | 0.741 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -8.8 | 175.9 | -84 | -63.2 | 0 | 0 | 0 | 115.2 | H696 K697 E698 | H696-H700 PolarHBondContact O-CD2 3.43Å; H696-H700 PolarHBondContact O-N 3.31Å; K697-H700 PolarHBondContact O-N 3.46Å; E698-H700 VanDerWaalsContact C-N 3.28Å; E698-H700 PolarHBondContact O-N 3.23Å |
| 701 | Q | 47.5 | Very low | 46.8 | Very low | 166 Ų | 166 | 126.5 Ų | 126.5 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -3.8 | -179.6 | -154.8 | 166.5 | 34.4 | 0 | 0 | 113.7 | K697 E698 I699 | K697-Q701 PolarHBondContact O-N 2.87Å; E698-Q701 PolarHBondContact O-N 2.99Å; I699-Q701 VanDerWaalsContact C-N 3.28Å; I699-Q701 PolarHBondContact O-N 2.88Å |
| 702 | K | 40.4 | Very low | 44.8 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 65% | 0.652 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -115.9 | 52.2 | -175.9 | -75.5 | 171.7 | 174.3 | 161.1 | 0 | 113.9 | E698 | E698-K702 PolarHBondContact O-N 3.31Å; E698-K702 IonicContact OE1-NZ 3.43Å; E698-K702 PolarHBondContact OE1-NZ 2.96Å |
| 703 | Q | 32.9 | Very low | 42.6 | Very low | 181 Ų | 181 | 130.5 Ų | 130.5 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -149.2 | 99.2 | 167.2 | -151.9 | 168 | 31.9 | 0 | 0 | 114.6 | ||||
| 704 | P | 33.9 | Very low | 41 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | trans | -78.6 | 157.2 | 160.4 | 33.5 | -32.4 | 0 | 0 | 0 | 111 | ||||
| 705 | G | 30.2 | Very low | 38.6 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 91% | 0.907 | 74% | 0.74 | S | S | * | * | trans | -81.3 | 167 | -162.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 706 | G | 26.6 | Very low | 37.6 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | 180 | 142.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 707 | A | 28.9 | Very low | 36.6 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | trans | -139.3 | 144.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 708 | A | 27.8 | Very low | 35.3 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -176.8 | 127.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 709 | D | 30.2 | Very low | 33.9 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | 79.3 | 106.2 | 48.3 | -74.4 | -47.7 | 0 | 0 | 0 | 115.3 | ||||
| 710 | V | 27.1 | Very low | 32.5 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -146.4 | 99.8 | 150.6 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 711 | E | 32.9 | Very low | 31.4 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | 31.9 | 159 | 123.3 | -61.5 | -168.8 | 121.4 | 0 | 0 | 122.8 | |||||
| 712 | A | 35.7 | Very low | 30.2 | Very low | 84 Ų | 84 | 128 Ų | 128 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | cis | 178.4 | 168.2 | -23.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 713 | E | 26.8 | Very low | 29.5 | Very low | 181 Ų | 181 | 130.9 Ų | 130.9 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -169.2 | 173.1 | 149.3 | -100.8 | -97.1 | 67.5 | 0 | 0 | 112.2 | ||||
| 714 | K | 31.6 | Very low | 29.1 | Very low | 196 Ų | 196 | 126.4 Ų | 126.4 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | -107.9 | 172.7 | -156 | -63.4 | 162 | -179.3 | 161.9 | 0 | 116.3 | ||||
| 715 | G | 25.7 | Very low | 28.6 | Very low | 73 Ų | 73 | 130.1 Ų | 130.1 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -145.3 | -64.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 716 | V | 32.5 | Very low | 28.2 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | 68.2 | 124 | 168.4 | -176.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 717 | Q | 33.3 | Very low | 29 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 69.4 | 151.8 | 155.6 | -79 | 166.3 | -20.6 | 0 | 0 | 121.2 | ||||
| 718 | D | 31.6 | Very low | 28.7 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | cis | -148.4 | 169.3 | 4.7 | -146.3 | 0.7 | 0 | 0 | 0 | 116.3 | ||||
| 719 | E | 30.6 | Very low | 28.4 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | 28.5 | 145.3 | 165.8 | -70.7 | -158.2 | 139.8 | 0 | 0 | 123.8 | ||||
| 720 | G | 26 | Very low | 28 | Very low | 66 Ų | 66 | 131.4 Ų | 131.4 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | cis | 173.3 | 161 | -3.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 721 | A | 26.5 | Very low | 27.8 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 98% | 0.975 | 79% | 0.793 | S | S | * | * | trans | 64.4 | 146.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 722 | G | 23.9 | Very low | 27.5 | Very low | 75 Ų | 75 | 130.6 Ų | 130.6 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -179.5 | -83.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 723 | K | 25.6 | Very low | 27.5 | Very low | 210 Ų | 210 | 131.5 Ų | 131.5 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | 83.8 | 124.8 | 163.9 | -149.9 | -175.2 | -176.7 | 176.2 | 0 | 120.1 | ||||
| 724 | A | 24.9 | Very low | 27.3 | Very low | 86 Ų | 86 | 132.2 Ų | 132.2 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 90.5 | 124.7 | 144.1 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 725 | K | 23 | Very low | 26.9 | Very low | 202 Ų | 202 | 127 Ų | 127 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | 95.3 | 114.8 | 127.6 | -97.5 | -168.4 | 173.2 | -168.3 | 0 | 123.6 | |||||
| 726 | D | 21.6 | Very low | 26.7 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -36 | 168.9 | 134.3 | -85.2 | -45.9 | 0 | 0 | 0 | 117 | ||||
| 727 | P | 42.7 | Very low | 26.4 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | cis | -141.7 | 179.3 | -27.6 | 38.5 | -21.5 | 0 | 0 | 0 | 114.3 | ||||
| 728 | G | 22.2 | Very low | 26 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | 107.5 | 157.9 | 118.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 729 | V | 22.7 | Very low | 25.7 | Very low | 158 Ų | 158 | 120.6 Ų | 120.6 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | trans | 66.4 | 131.6 | 137.4 | -175.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 730 | G | 22.3 | Very low | 25.4 | Very low | 63 Ų | 63 | 119.3 Ų | 119.3 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | 117.9 | 126.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 731 | S | 22.6 | Very low | 25.4 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | cis | 141.9 | 145.7 | -0.4 | 49.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 732 | E | 25.5 | Very low | 25.3 | Very low | 181 Ų | 181 | 124.3 Ų | 124.3 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -63 | -177.7 | 168.1 | -49 | 177.6 | 69.5 | 0 | 0 | 111.8 | ||||
| 733 | P | 37.1 | Very low | 25.3 | Very low | 102 Ų | 102 | 125 Ų | 125 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | cis | -147.6 | -171.7 | 8.8 | 40.5 | -17.9 | 0 | 0 | 0 | 118.3 | ||||
| 734 | K | 21.9 | Very low | 25.2 | Very low | 197 Ų | 197 | 120.1 Ų | 120.1 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | 78.3 | 124.6 | 139.8 | -94.5 | -179.2 | 177.7 | 177.3 | 0 | 122.8 | ||||
| 735 | A | 22.4 | Very low | 25.2 | Very low | 87 Ų | 87 | 121.2 Ų | 121.2 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | 84.6 | 107.5 | 118.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 736 | A | 23.1 | Very low | 25.3 | Very low | 95 Ų | 95 | 115 Ų | 115 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | 75.8 | 139.3 | 114.3 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 737 | A | 24.8 | Very low | 25.4 | Very low | 101 Ų | 101 | 117.4 Ų | 117.4 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | 68.4 | 157.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 738 | A | 25.1 | Very low | 24.5 | Very low | 98 Ų | 98 | 119.5 Ų | 119.5 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | cis | -170.2 | 169.4 | -28.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 739 | G | 24.4 | Very low | 24.7 | Very low | 67 Ų | 67 | 127.7 Ų | 127.7 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | 88.6 | 158.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 740 | E | 25.1 | Very low | 24.9 | Very low | 157 Ų | 157 | 124.6 Ų | 124.6 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | cis | -159.4 | 142.4 | -3.7 | -116.2 | 171.9 | 128.1 | 0 | 0 | 112.1 | ||||
| 741 | Q | 25.8 | Very low | 25.1 | Very low | 149 Ų | 149 | 126.1 Ų | 126.1 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | trans | 61.8 | 154.3 | 140.7 | -75.6 | 159.6 | 19.5 | 0 | 0 | 121.6 | ||||
| 742 | D | 24.6 | Very low | 26.5 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | cis | -155.1 | 167.4 | -2.5 | -137 | -29.6 | 0 | 0 | 0 | 115.3 | ||||
| 743 | A | 24.2 | Very low | 26.4 | Very low | 91 Ų | 91 | 122.6 Ų | 122.6 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | 60.1 | 152.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 744 | A | 23.5 | Very low | 25.8 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | cis | -141.1 | -173.6 | 2.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 745 | A | 25.5 | Very low | 26.1 | Very low | 110 Ų | 110 | 119.5 Ų | 119.5 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -136.2 | 173.4 | -160.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 746 | G | 23.3 | Very low | 26.4 | Very low | 70 Ų | 70 | 119.8 Ų | 119.8 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 125.2 | 146.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 747 | E | 25.3 | Very low | 26.6 | Very low | 196 Ų | 196 | 120 Ų | 120 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | cis | -155 | -153.8 | -12.4 | -150.4 | 172.1 | 107.1 | 0 | 0 | 111 | ||||
| 748 | Q | 24 | Very low | 26.7 | Very low | 158 Ų | 158 | 118.5 Ų | 118.5 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | -110.9 | 158 | -158.8 | -63.8 | -174.7 | -13.1 | 0 | 0 | 117.8 | ||||
| 749 | R | 24.7 | Very low | 26.8 | Very low | 238 Ų | 238 | 122 Ų | 122 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | 78.6 | 157 | 144 | -95.1 | 178.4 | 169.6 | 170.1 | -3.4 | 121.4 | ||||
| 750 | A | 27 | Very low | 26.9 | Very low | 93 Ų | 93 | 122.5 Ų | 122.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -71.7 | 147.4 | -163.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 751 | A | 26.7 | Very low | 26.9 | Very low | 95 Ų | 95 | 119 Ų | 119 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 27.4 | 155.5 | 132.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 752 | P | 52.1 | Low | 26.9 | Very low | 119 Ų | 119 | 119.8 Ų | 119.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -134.6 | 175.8 | -5.7 | 40.5 | -23.6 | 0 | 0 | 0 | 115.9 | ||||
| 753 | A | 23.2 | Very low | 26.9 | Very low | 106 Ų | 106 | 120.2 Ų | 120.2 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | trans | 63.8 | 145.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 754 | G | 25.4 | Very low | 27 | Very low | 66 Ų | 66 | 120.3 Ų | 120.3 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | 124.3 | 118.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 755 | N | 27.4 | Very low | 27.2 | Very low | 169 Ų | 169 | 119.6 Ų | 119.6 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | 62.8 | 134.6 | 60.9 | -73.4 | -1.2 | 0 | 0 | 0 | 113.9 | |||||
| 756 | A | 29.2 | Very low | 27.3 | Very low | 92 Ų | 92 | 119.5 Ų | 119.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | cis | -165.3 | -168.3 | -12.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 757 | A | 27.1 | Very low | 28.1 | Very low | 99 Ų | 99 | 120.6 Ų | 120.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | cis | -163.9 | 159.7 | 1.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 758 | G | 27.1 | Very low | 28.1 | Very low | 71 Ų | 71 | 121.6 Ų | 121.6 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 109.1 | 148.1 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 759 | E | 27.3 | Very low | 28.2 | Very low | 170 Ų | 170 | 122 Ų | 122 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | cis | -163.1 | 158.5 | -12.4 | -109 | -56.9 | 80.6 | 0 | 0 | 106.6 | ||||
| 760 | A | 25.7 | Very low | 28.3 | Very low | 78 Ų | 78 | 119 Ų | 119 | 65% | 0.645 | 77% | 0.772 | S | S | * | * | cis | -136.4 | -163.7 | 0.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 761 | A | 25.9 | Very low | 28.2 | Very low | 84 Ų | 84 | 121.6 Ų | 121.6 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | cis | -146.3 | 161.2 | 8.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 762 | K | 25.7 | Very low | 28.3 | Very low | 166 Ų | 166 | 121.1 Ų | 121.1 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | cis | 71.3 | 118.3 | 42.4 | -73.8 | -159 | 161 | -136.8 | 0 | 115 | ||||
| 763 | E | 24.5 | Very low | 27.1 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | cis | -141.6 | 142.2 | 1.5 | -96.5 | 157.1 | 174.8 | 0 | 0 | 108.8 | ||||
| 764 | A | 26.1 | Very low | 27.2 | Very low | 92 Ų | 92 | 125.1 Ų | 125.1 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | 79.8 | 141.6 | 57.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 765 | A | 27.3 | Very low | 27.2 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | cis | -169.4 | 166.8 | -14.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 766 | A | 29.3 | Very low | 27.9 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | 64.3 | 165.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 767 | A | 39.5 | Very low | 27.8 | Very low | 92 Ų | 92 | 124 Ų | 124 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -131.7 | 144.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 768 | Y | 25.8 | Very low | 27.6 | Very low | 218 Ų | 218 | 122.6 Ų | 122.6 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | -155.9 | -167.3 | 168.1 | -127.2 | -95.8 | 0 | 0 | 0 | 111.4 | ||||
| 769 | K | 25.7 | Very low | 27.8 | Very low | 167 Ų | 167 | 128.3 Ų | 128.3 | 73% | 0.726 | 78% | 0.781 | S | S | * | * | trans | -79 | 177.4 | -156.6 | -64.4 | 177.6 | 178.8 | -175.7 | 0 | 118.4 | ||||
| 770 | E | 25.6 | Very low | 27.9 | Very low | 173 Ų | 173 | 124 Ų | 124 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -41.1 | 166.4 | 165.9 | -62 | 149.4 | 117.6 | 0 | 0 | 114.9 | ||||
| 771 | D | 26.4 | Very low | 27.9 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | cis | -171.2 | 158.7 | 46 | -158.8 | -8.8 | 0 | 0 | 0 | 114.8 | ||||
| 772 | A | 27.1 | Very low | 28 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | 56 | 158.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 773 | K | 26.8 | Very low | 28.1 | Very low | 203 Ų | 203 | 128.9 Ų | 128.9 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | cis | -164.7 | 134.8 | 10.8 | -161.7 | 176.1 | -174.7 | 173.8 | 0 | 112.7 | ||||
| 774 | A | 26.6 | Very low | 28.1 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | 167.4 | 150.8 | 144.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 775 | A | 25 | Very low | 28.1 | Very low | 93 Ų | 93 | 128 Ų | 128 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -132.3 | -177.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 776 | P | 43.1 | Very low | 28.1 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | cis | -106.3 | -179.8 | 40.1 | 4.9 | 18.8 | 0 | 0 | 0 | 113.2 | ||||
| 777 | G | 25.3 | Very low | 28.1 | Very low | 78 Ų | 78 | 133.7 Ų | 133.7 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | cis | 133.5 | 125.3 | 3.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 778 | G | 24.1 | Very low | 27.4 | Very low | 70 Ų | 70 | 133.2 Ų | 133.2 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | cis | -174.5 | -162.7 | -2.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 779 | E | 30.5 | Very low | 27.8 | Very low | 192 Ų | 192 | 127.7 Ų | 127.7 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | trans | 69.2 | 136.9 | 159 | -54.9 | -168 | 140.9 | 0 | 0 | 119.4 | ||||
| 780 | S | 29.8 | Very low | 28.1 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 56% | 0.559 | 77% | 0.766 | S | S | * | * | cis | -166.4 | 148.8 | -8.2 | -105.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 781 | Q | 26.6 | Very low | 28.3 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | 61 | 158.1 | 143.7 | -65.1 | 169.6 | -69.4 | 0 | 0 | 119.7 | ||||
| 782 | Q | 27.9 | Very low | 28.8 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 59% | 0.589 | 77% | 0.77 | S | S | * | * | cis | -164.7 | 155.5 | -21.2 | -119.2 | 171 | -75.6 | 0 | 0 | 109.4 | ||||
| 783 | Q | 27 | Very low | 28.9 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 67% | 0.673 | 78% | 0.779 | S | S | * | * | trans | 61.7 | 171.3 | 147.3 | -74.4 | 174 | -73.3 | 0 | 0 | 118.9 | ||||
| 784 | Q | 25.3 | Very low | 29.2 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 67% | 0.673 | 78% | 0.779 | S | S | * | * | cis | -169.9 | 174.2 | -33.4 | -178.8 | 176.8 | -37.7 | 0 | 0 | 107.9 | ||||
| 785 | S | 25.7 | Very low | 29.1 | Very low | 78 Ų | 78 | 131 Ų | 131 | 55% | 0.545 | 78% | 0.776 | S | S | . | * | trans | 69.9 | 117.6 | 145.1 | 39.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 786 | E | 27.5 | Very low | 29.2 | Very low | 162 Ų | 162 | 137 Ų | 137 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | 82.7 | 139.5 | 119.2 | -67.1 | -178.9 | 116.7 | 0 | 0 | 123.9 | |||||
| 787 | L | 28.7 | Very low | 28.4 | Very low | 158 Ų | 158 | 141 Ų | 141 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | 34.3 | 130.6 | 131.8 | -54 | 168.8 | 0 | 0 | 0 | 120.2 | ||||
| 788 | G | 26 | Very low | 28.5 | Very low | 81 Ų | 81 | 146.9 Ų | 146.9 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 171.7 | 108 | 158.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 789 | A | 33 | Very low | 28.6 | Very low | 102 Ų | 102 | 148.6 Ų | 148.6 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -89.2 | 141.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 790 | R | 33.1 | Very low | 28.5 | Very low | 249 Ų | 249 | 144.3 Ų | 144.3 | 94% | 0.94 | 79% | 0.79 | S | S | * | * | trans | 65.2 | 84.8 | 146 | -157.8 | -179.2 | -159.5 | 174.6 | 5.7 | 117.6 | ||||
| 791 | G | 29.6 | Very low | 28.4 | Very low | 80 Ų | 80 | 148.9 Ų | 148.9 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -146.3 | 98.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 792 | V | 35.9 | Very low | 28.8 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -112.9 | 110 | -178.8 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 793 | R | 28.6 | Very low | 29.3 | Very low | 235 Ų | 235 | 148.9 Ų | 148.9 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | -153.5 | 118.6 | 146.9 | -78.8 | -151.5 | 173.7 | -176.3 | -1.4 | 113 | ||||
| 794 | L | 33.8 | Very low | 30.5 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | 32.8 | 119.2 | 138 | -62.4 | 165.3 | 0 | 0 | 0 | 120.2 | ||||
| 795 | G | 25.6 | Very low | 31.9 | Very low | 77 Ų | 77 | 144 Ų | 144 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 175.8 | 105.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 796 | K | 27.1 | Very low | 33.3 | Very low | 219 Ų | 219 | 146 Ų | 146 | 95% | 0.952 | 80% | 0.797 | S | S | * | * | trans | 20.1 | 103.3 | 164.9 | -71 | 179.8 | 175.4 | 176.5 | 0 | 118 | ||||
| 797 | K | 26.2 | Very low | 34.8 | Very low | 214 Ų | 214 | 139.3 Ų | 139.3 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 126.3 | 159.3 | -143.9 | 172.7 | -171.3 | 179.3 | 0 | 109.8 | ||
| 798 | K | 26 | Very low | 36.4 | Very low | 203 Ų | 203 | 134 Ų | 134 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 131.3 | 177.5 | -158.6 | 176 | -175.5 | -177.1 | 0 | 108.7 | ||
| 799 | S | 26.2 | Very low | 38.2 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -70 | 132.5 | 177.6 | 44.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 800 | A | 29.8 | Very low | 40 | Very low | 102 Ų | 102 | 132 Ų | 132 | 84% | 0.843 | 70% | 0.699 | S | S | * | * | trans | -99.7 | 111.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 801 | E | 26.9 | Very low | 41.7 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 140.1 | 168.7 | -83 | 171.5 | 85.6 | 0 | 0 | 110.1 | ||
| 802 | P | 34.8 | Very low | 43.8 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 79% | 0.792 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -71 | 137.2 | 170.6 | 30.4 | -33.3 | 0 | 0 | 0 | 110.3 | ||
| 803 | Q | 37.9 | Very low | 45.5 | Very low | 164 Ų | 164 | 126 Ų | 126 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 135.3 | 179.5 | -74.5 | 172.9 | -125.3 | 0 | 0 | 112 | D805 | Q803-D805 PolarHBondContact O-N 2.69Š|
| 804 | N | 52.5 | Low | 47.5 | Very low | 97 Ų | 97 | 117 Ų | 117 | 52% | 0.519 | 62% | 0.617 | S | S | . | * | trans | -98.7 | 64 | -178.6 | -169 | -13.3 | 0 | 0 | 0 | 111.1 | Q806 A807 S808 | N804-Q806 PolarHBondContact O-N 2.88Å; N804-A807 PolarHBondContact O-N 2.9Å; N804-A807 WeakPolarHBondContact OD1-CB 3.42Å; N804-A807 PolarHBondContact OD1-N 3.28Å; N804-S808 PolarHBondContact O-N 2.96Å | ||
| 805 | D | 54.3 | Low | 49.5 | Very low | 87 Ų | 87 | 116.8 Ų | 116.8 | 47% | 0.465 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.2 | -9.3 | -169.8 | -63.2 | -36.8 | 0 | 0 | 0 | 114.2 | Q803 S808 Q809 | Q803-D805 PolarHBondContact O-N 2.69Å; D805-S808 WeakPolarHBondContact CA-OG 3.44Å; D805-S808 PolarHBondContact O-OG 2.88Å; D805-S808 VanDerWaalsContact O-OG 3.06Å; D805-Q809 VanDerWaalsContact O-CG 3.27Å; D805-Q809 WeakPolarHBondContact O-CG 3.41Å; D805-Q809 PolarHBondContact O-NE2 3.05Å |
| 806 | Q | 55.6 | Low | 51.9 | Low | 122 Ų | 122 | 120.4 Ų | 120.4 | 57% | 0.57 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -85.3 | -39.5 | 170.6 | -75.1 | -179.6 | -18.9 | 0 | 0 | 112.4 | N804 S808 Q809 V810 L874 | N804-Q806 PolarHBondContact O-N 2.88Å; Q806-S808 VanDerWaalsContact C-N 3.31Å; Q806-S808 PolarHBondContact O-N 3.28Å; Q806-Q809 PolarHBondContact O-N 3.44Å; Q806-V810 WeakPolarHBondContact O-CG2 3.19Å; Q806-V810 PolarHBondContact O-N 2.8Å; Q806-L874 HydrophobicContact CB-CD1 4.44Å |
| 807 | A | 58.5 | Low | 54.1 | Low | 20 Ų | 20 | 110.5 Ų | 110.5 | 17% | 0.165 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -72.6 | -23.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N804 K811 L874 | N804-A807 PolarHBondContact O-N 2.9Å; N804-A807 WeakPolarHBondContact OD1-CB 3.42Å; N804-A807 PolarHBondContact OD1-N 3.28Å; A807-K811 WeakPolarHBondContact O-CG 3.31Å; A807-K811 PolarHBondContact O-N 3.47Å; A807-L874 HydrophobicContact CB-CD1 4.48Å |
| 808 | S | 63.3 | Low | 56.3 | Low | 47 Ų | 47 | 104.6 Ų | 104.6 | 33% | 0.329 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.1 | -53.7 | 165.9 | 49.4 | 0 | 0 | 0 | 0 | 110.8 | N804 D805 Q806 V810 K811 D812 | N804-S808 PolarHBondContact O-N 2.96Å; D805-S808 WeakPolarHBondContact CA-OG 3.44Å; D805-S808 PolarHBondContact O-OG 2.88Å; D805-S808 VanDerWaalsContact O-OG 3.06Å; Q806-S808 VanDerWaalsContact C-N 3.31Å; Q806-S808 PolarHBondContact O-N 3.28Å; S808-V810 VanDerWaalsContact C-N 3.28Å; S808-V810 PolarHBondContact O-N 2.84Å; S808-K811 WeakPolarHBondContact O-CB 3.39Å; S808-K811 PolarHBondContact O-N 2.91Å; S808-D812 PolarHBondContact O-N 3.15Å |
| 809 | Q | 63.8 | Low | 58.8 | Low | 115 Ų | 115 | 102 Ų | 102 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -55.1 | -37.2 | 179.5 | -77.9 | 178.4 | 73.7 | 0 | 0 | 114.1 | D805 Q806 K813 | D805-Q809 VanDerWaalsContact O-CG 3.27Å; D805-Q809 WeakPolarHBondContact O-CG 3.41Å; D805-Q809 PolarHBondContact O-NE2 3.05Å; Q806-Q809 PolarHBondContact O-N 3.44Å; Q809-K813 WeakPolarHBondContact O-CG 3.45Å; Q809-K813 PolarHBondContact O-N 3.35Å; Q809-K813 VanDerWaalsContact O-N 3.15Å |
| 810 | V | 70.4 | Confident | 61 | Low | 27 Ų | 27 | 101.4 Ų | 101.4 | 16% | 0.164 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 174.4 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | Q806 S808 D812 K813 E814 L874 | Q806-V810 WeakPolarHBondContact O-CG2 3.19Å; Q806-V810 PolarHBondContact O-N 2.8Å; S808-V810 VanDerWaalsContact C-N 3.28Å; S808-V810 PolarHBondContact O-N 2.84Å; V810-D812 VanDerWaalsContact C-N 3.35Å; V810-D812 PolarHBondContact O-N 2.88Å; V810-K813 WeakPolarHBondContact O-CB 3.42Å; V810-K813 PolarHBondContact O-N 3.23Å; V810-E814 PolarHBondContact O-N 3.22Å; V810-L874 HydrophobicContact CG2-CD1 4.31Å |
| 811 | K | 68.4 | Low | 63 | Low | 129 Ų | 129 | 99.5 Ų | 99.5 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.2 | -35.4 | 177.9 | -74.3 | 176.6 | 176.9 | -176.8 | 0 | 113.3 | A807 S808 K813 E814 R815 | A807-K811 WeakPolarHBondContact O-CG 3.31Å; A807-K811 PolarHBondContact O-N 3.47Å; S808-K811 WeakPolarHBondContact O-CB 3.39Å; S808-K811 PolarHBondContact O-N 2.91Å; K811-K813 VanDerWaalsContact C-N 3.31Å; K811-E814 PolarHBondContact O-N 2.72Å; K811-R815 WeakPolarHBondContact O-CB 3.29Å; K811-R815 VanDerWaalsContact O-CG 3.26Å; K811-R815 WeakPolarHBondContact O-CG 3.38Å; K811-R815 PolarHBondContact O-N 3.27Å |
| 812 | D | 73.9 | Confident | 65.3 | Low | 83 Ų | 83 | 97 Ų | 97 | 44% | 0.444 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -75.2 | -22.5 | 177.2 | -66.7 | -36.8 | 0 | 0 | 0 | 112.2 | S808 V810 K816 | S808-D812 PolarHBondContact O-N 3.15Å; V810-D812 VanDerWaalsContact C-N 3.35Å; V810-D812 PolarHBondContact O-N 2.88Å; D812-K816 WeakPolarHBondContact O-CG 3.49Å; D812-K816 PolarHBondContact O-N 2.86Å |
| 813 | K | 70.9 | Confident | 67.1 | Low | 130 Ų | 130 | 93.7 Ų | 93.7 | 57% | 0.565 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -74.5 | -45.3 | 166.3 | -74.9 | 175.7 | 180 | -176.8 | 0 | 112.1 | Q809 V810 K811 R815 K816 L817 V867 | Q809-K813 WeakPolarHBondContact O-CG 3.45Å; Q809-K813 PolarHBondContact O-N 3.35Å; Q809-K813 VanDerWaalsContact O-N 3.15Å; V810-K813 WeakPolarHBondContact O-CB 3.42Å; V810-K813 PolarHBondContact O-N 3.23Å; K811-K813 VanDerWaalsContact C-N 3.31Å; K813-R815 PolarHBondContact O-N 3.15Å; K813-K816 PolarHBondContact O-N 2.92Å; K813-L817 PolarHBondContact O-N 2.97Å; K813-V867 HydrophobicContact CB-CG2 4.42Å |
| 814 | E | 71.6 | Confident | 68.3 | Low | 48 Ų | 48 | 88.7 Ų | 88.7 | 22% | 0.224 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -52.8 | -54 | 171.9 | -72.3 | 179.2 | 130.2 | 0 | 0 | 110.4 | V810 K811 K816 L817 D818 V867 K871 | V810-E814 PolarHBondContact O-N 3.22Å; K811-E814 PolarHBondContact O-N 2.72Å; E814-K816 PolarHBondContact O-N 3.23Å; E814-K816 VanDerWaalsContact O-N 3.12Å; E814-L817 PolarHBondContact O-N 3.27Å; E814-D818 PolarHBondContact O-N 3.16Å; E814-V867 HydrophobicContact CG-CG1 3.63Å; E814-K871 IonicContact OE1-NZ 3.88Å; E814-K871 PolarHBondContact OE1-NZ 3.03Å; E814-K871 IonicContact OE2-NZ 2.72Å |
| 815 | R | 76.3 | Confident | 69.1 | Low | 166 Ų | 166 | 91 Ų | 91 | 63% | 0.626 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.5 | -21.1 | 179.2 | -74.9 | 170.6 | 161.9 | -166.4 | -8.2 | 115.6 | K811 K813 K819 | K811-R815 WeakPolarHBondContact O-CB 3.29Å; K811-R815 VanDerWaalsContact O-CG 3.26Å; K811-R815 WeakPolarHBondContact O-CG 3.38Å; K811-R815 PolarHBondContact O-N 3.27Å; K813-R815 PolarHBondContact O-N 3.15Å; R815-K819 WeakPolarHBondContact O-CG 3.3Å |
| 816 | K | 74.8 | Confident | 70 | Confident | 152 Ų | 152 | 90.8 Ų | 90.8 | 66% | 0.661 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -81.6 | -45.3 | 171.4 | -82.2 | -175.8 | 175.1 | -171.4 | 0 | 111 | D812 K813 E814 D818 K819 E820 | D812-K816 WeakPolarHBondContact O-CG 3.49Å; D812-K816 PolarHBondContact O-N 2.86Å; K813-K816 PolarHBondContact O-N 2.92Å; E814-K816 PolarHBondContact O-N 3.23Å; E814-K816 VanDerWaalsContact O-N 3.12Å; K816-D818 VanDerWaalsContact C-N 3.31Å; K816-D818 PolarHBondContact O-N 3.37Å; K816-K819 PolarHBondContact O-N 3.44Å; K816-E820 PolarHBondContact O-N 3.23Å |
| 817 | L | 73.4 | Confident | 70.4 | Confident | 12 Ų | 12 | 90.6 Ų | 90.6 | 6% | 0.063 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 179.1 | -169.3 | 68.1 | 0 | 0 | 0 | 111.9 | K813 E814 K819 E820 K821 M860 K863 E864 | K813-L817 PolarHBondContact O-N 2.97Å; E814-L817 PolarHBondContact O-N 3.27Å; L817-K819 VanDerWaalsContact C-N 3.33Å; L817-K819 PolarHBondContact O-N 2.96Å; L817-E820 PolarHBondContact O-N 2.75Å; L817-K821 WeakPolarHBondContact O-CG 3.36Å; L817-K821 PolarHBondContact O-N 2.98Å; L817-M860 HydrophobicContact CD1-CG 4.32Å; L817-K863 HydrophobicContact CD1-CB 3.85Å; L817-K863 HydrophobicContact CD1-CD 4.33Å; L817-E864 HydrophobicContact CD2-CB 3.95Å; L817-E864 HydrophobicContact CD2-CG 4.25Å |
| 818 | D | 73.9 | Confident | 70.7 | Confident | 90 Ų | 90 | 96.3 Ų | 96.3 | 48% | 0.481 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 176.5 | -63.4 | -29.6 | 0 | 0 | 0 | 111.9 | E814 K816 K821 E822 | E814-D818 PolarHBondContact O-N 3.16Å; K816-D818 VanDerWaalsContact C-N 3.31Å; K816-D818 PolarHBondContact O-N 3.37Å; D818-K821 WeakPolarHBondContact O-CB 3.43Å; D818-K821 PolarHBondContact O-N 2.75Å; D818-E822 PolarHBondContact O-N 3.02Å |
| 819 | K | 77.1 | Confident | 70.7 | Confident | 147 Ų | 147 | 100.5 Ų | 100.5 | 64% | 0.639 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -71.8 | -35.7 | 175.2 | -73 | -177.7 | 175.5 | -168.1 | 0 | 113.3 | R815 K816 L817 K821 E822 A823 | R815-K819 WeakPolarHBondContact O-CG 3.3Å; K816-K819 PolarHBondContact O-N 3.44Å; L817-K819 VanDerWaalsContact C-N 3.33Å; L817-K819 PolarHBondContact O-N 2.96Å; K819-K821 VanDerWaalsContact C-N 3.3Å; K819-E822 PolarHBondContact O-N 3.37Å; K819-A823 WeakPolarHBondContact O-CB 3.36Å; K819-A823 PolarHBondContact O-N 3.39Å |
| 820 | E | 72.3 | Confident | 70.6 | Confident | 95 Ų | 95 | 100 Ų | 100 | 44% | 0.444 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 172.8 | -73.4 | -176.8 | 169.1 | 0 | 0 | 110.9 | K816 L817 M824 K863 | K816-E820 PolarHBondContact O-N 3.23Å; L817-E820 PolarHBondContact O-N 2.75Å; E820-M824 WeakPolarHBondContact O-CB 3.27Å; E820-M824 PolarHBondContact O-N 3.21Å; E820-K863 IonicContact OE2-NZ 3.46Å; E820-K863 PolarHBondContact OE2-NZ 2.71Å |
| 821 | K | 71.6 | Confident | 70.1 | Confident | 61 Ų | 61 | 101 Ų | 101 | 27% | 0.265 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -51.4 | 173.1 | -74.9 | 170.1 | 175.3 | -177 | 0 | 112.5 | L817 D818 K819 A823 M824 E825 M860 E864 | L817-K821 WeakPolarHBondContact O-CG 3.36Å; L817-K821 PolarHBondContact O-N 2.98Å; D818-K821 WeakPolarHBondContact O-CB 3.43Å; D818-K821 PolarHBondContact O-N 2.75Å; K819-K821 VanDerWaalsContact C-N 3.3Å; K821-A823 VanDerWaalsContact C-N 3.31Å; K821-A823 PolarHBondContact O-N 2.89Å; K821-M824 PolarHBondContact O-N 3.02Å; K821-M824 VanDerWaalsContact O-N 3.12Å; K821-E825 PolarHBondContact O-N 3.07Å; K821-M860 HydrophobicContact CD-SD 4.31Å; K821-M860 HydrophobicContact CG-CE 3.92Å; K821-M860 HydrophobicContact CG-CG 4.48Å; K821-M860 HydrophobicContact CG-SD 3.58Å; K821-M860 VanDerWaalsContact CG-SD 3.58Å; K821-E864 IonicContact NZ-OE2 2.83Å; K821-E864 PolarHBondContact NZ-OE2 3.04Å |
| 822 | E | 75.6 | Confident | 69.4 | Low | 123 Ų | 123 | 99.8 Ų | 99.8 | 58% | 0.575 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.9 | -40.2 | 179.7 | -171.9 | 175.2 | -148.4 | 0 | 0 | 111.7 | D818 K819 N826 | D818-E822 PolarHBondContact O-N 3.02Å; K819-E822 PolarHBondContact O-N 3.37Å; E822-N826 PolarHBondContact O-N 3.38Å; E822-N826 PolarHBondContact O-ND2 2.83Å |
| 823 | A | 73.8 | Confident | 68.6 | Low | 52 Ų | 52 | 100 Ų | 100 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K819 K821 N826 L827 | K819-A823 WeakPolarHBondContact O-CB 3.36Å; K819-A823 PolarHBondContact O-N 3.39Å; K821-A823 VanDerWaalsContact C-N 3.31Å; K821-A823 PolarHBondContact O-N 2.89Å; A823-N826 PolarHBondContact O-N 2.93Å; A823-L827 WeakPolarHBondContact O-CG 3.48Å; A823-L827 PolarHBondContact O-N 3.42Å |
| 824 | M | 63.2 | Low | 67.8 | Low | 60 Ų | 60 | 101.3 Ų | 101.3 | 30% | 0.296 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.3 | -34.7 | 178.9 | -168.3 | -179.5 | -65.4 | 0 | 0 | 112.7 | E820 K821 K828 L856 M860 | E820-M824 WeakPolarHBondContact O-CB 3.27Å; E820-M824 PolarHBondContact O-N 3.21Å; K821-M824 PolarHBondContact O-N 3.02Å; K821-M824 VanDerWaalsContact O-N 3.12Å; M824-K828 WeakPolarHBondContact O-CB 3.39Å; M824-K828 PolarHBondContact O-N 3.15Å; M824-L856 HydrophobicContact CE-CB 4Å; M824-M860 HydrophobicContact CB-CE 4.48Å; M824-M860 HydrophobicContact CE-CE 3.48Å; M824-M860 VanDerWaalsContact CE-CE 3.48Å; M824-M860 HydrophobicContact SD-CE 3.52Å; M824-M860 VanDerWaalsContact SD-CE 3.52Å |
| 825 | E | 69.6 | Low | 66.8 | Low | 145 Ų | 145 | 106.1 Ų | 106.1 | 68% | 0.678 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.1 | -42.3 | 175.4 | -172.7 | 168.4 | -165.7 | 0 | 0 | 111.7 | K821 K828 K829 | K821-E825 PolarHBondContact O-N 3.07Å; E825-K828 WeakPolarHBondContact O-CB 3.48Å; E825-K828 PolarHBondContact O-N 3.13Å; E825-K829 PolarHBondContact O-N 3.38Å |
| 826 | N | 71.8 | Confident | 65.7 | Low | 82 Ų | 82 | 105.2 Ų | 105.2 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 173.5 | -73.7 | -60.5 | 0 | 0 | 0 | 112 | E822 A823 K828 K829 D830 | E822-N826 PolarHBondContact O-N 3.38Å; E822-N826 PolarHBondContact O-ND2 2.83Å; A823-N826 PolarHBondContact O-N 2.93Å; N826-K828 VanDerWaalsContact C-N 3.27Å; N826-K828 PolarHBondContact O-N 2.89Å; N826-K829 WeakPolarHBondContact O-CA 3.35Å; N826-K829 VanDerWaalsContact O-CB 3.29Å; N826-K829 WeakPolarHBondContact O-CB 3.49Å; N826-K829 PolarHBondContact O-N 3.45Å; N826-D830 PolarHBondContact O-N 3.45Å |
| 827 | L | 65.3 | Low | 64.5 | Low | 119 Ų | 119 | 104.9 Ų | 104.9 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.4 | -37.3 | 173.8 | -79 | 166.6 | 0 | 0 | 0 | 112.9 | A823 K829 A831 | A823-L827 WeakPolarHBondContact O-CG 3.48Å; A823-L827 PolarHBondContact O-N 3.42Å; L827-K829 VanDerWaalsContact C-N 3.3Å; L827-A831 WeakPolarHBondContact O-CB 3.43Å; L827-A831 PolarHBondContact O-N 3.15Å; L827-A831 VanDerWaalsContact O-N 3.08Å |
| 828 | K | 63.3 | Low | 63.2 | Low | 140 Ų | 140 | 111.3 Ų | 111.3 | 61% | 0.609 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.6 | -31.8 | 175.9 | -171.5 | 178.2 | -179.4 | -176.3 | 0 | 112 | M824 E825 N826 L832 | M824-K828 WeakPolarHBondContact O-CB 3.39Å; M824-K828 PolarHBondContact O-N 3.15Å; E825-K828 WeakPolarHBondContact O-CB 3.48Å; E825-K828 PolarHBondContact O-N 3.13Å; N826-K828 VanDerWaalsContact C-N 3.27Å; N826-K828 PolarHBondContact O-N 2.89Å; K828-L832 WeakPolarHBondContact O-CB 3.47Å; K828-L832 PolarHBondContact O-N 3.14Å |
| 829 | K | 64.9 | Low | 62.1 | Low | 134 Ų | 134 | 110.6 Ų | 110.6 | 58% | 0.583 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -72.6 | -49.3 | 176.6 | -159.7 | 174.8 | -176.1 | 177.5 | 0 | 111.4 | E825 N826 L827 A831 L832 D833 | E825-K829 PolarHBondContact O-N 3.38Å; N826-K829 WeakPolarHBondContact O-CA 3.35Å; N826-K829 VanDerWaalsContact O-CB 3.29Å; N826-K829 WeakPolarHBondContact O-CB 3.49Å; N826-K829 PolarHBondContact O-N 3.45Å; L827-K829 VanDerWaalsContact C-N 3.3Å; K829-A831 VanDerWaalsContact C-N 3.26Å; K829-A831 PolarHBondContact O-N 2.98Å; K829-L832 WeakPolarHBondContact O-CB 3.28Å; K829-L832 PolarHBondContact O-N 2.96Å; K829-D833 PolarHBondContact O-N 3.14Å; K829-D833 VanDerWaalsContact O-N 3.17Å |
| 830 | D | 61.4 | Low | 60.4 | Low | 105 Ų | 105 | 113.3 Ų | 113.3 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.6 | -35.9 | 176.2 | -67.9 | -14.1 | 0 | 0 | 0 | 112.4 | N826 K834 | N826-D830 PolarHBondContact O-N 3.45Å; D830-K834 PolarHBondContact O-N 2.84Å |
| 831 | A | 58.8 | Low | 59.4 | Low | 49 Ų | 49 | 112.7 Ų | 112.7 | 41% | 0.405 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.3 | -40.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | L827 K829 D833 K834 D835 | L827-A831 WeakPolarHBondContact O-CB 3.43Å; L827-A831 PolarHBondContact O-N 3.15Å; L827-A831 VanDerWaalsContact O-N 3.08Å; K829-A831 VanDerWaalsContact C-N 3.26Å; K829-A831 PolarHBondContact O-N 2.98Å; A831-D833 VanDerWaalsContact C-N 3.3Å; A831-D833 PolarHBondContact O-N 3.3Å; A831-K834 PolarHBondContact O-N 3.46Å; A831-D835 PolarHBondContact O-N 3.26Å |
| 832 | L | 54.9 | Low | 58.4 | Low | 103 Ų | 103 | 114.5 Ų | 114.5 | 54% | 0.539 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.8 | -25.4 | -179.1 | -117.2 | 154.4 | 0 | 0 | 0 | 113.8 | K828 K829 K836 | K828-L832 WeakPolarHBondContact O-CB 3.47Å; K828-L832 PolarHBondContact O-N 3.14Å; K829-L832 WeakPolarHBondContact O-CB 3.28Å; K829-L832 PolarHBondContact O-N 2.96Å; L832-K836 WeakPolarHBondContact O-CE 3.48Å |
| 833 | D | 56.1 | Low | 57.4 | Low | 88 Ų | 88 | 117.7 Ų | 117.7 | 47% | 0.471 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -89 | -22.9 | 173.6 | -72.9 | -33.6 | 0 | 0 | 0 | 113 | K829 A831 K836 | K829-D833 PolarHBondContact O-N 3.14Å; K829-D833 VanDerWaalsContact O-N 3.17Å; A831-D833 VanDerWaalsContact C-N 3.3Å; A831-D833 PolarHBondContact O-N 3.3Å; D833-K836 IonicContact OD1-NZ 3.54Å; D833-K836 PolarHBondContact OD1-NZ 3.29Å |
| 834 | K | 54.4 | Low | 56.3 | Low | 156 Ų | 156 | 121.6 Ų | 121.6 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.3 | -40.3 | 168.1 | -82.2 | -176.5 | 173.7 | 177.8 | 0 | 113.5 | D830 A831 K836 L837 | D830-K834 PolarHBondContact O-N 2.84Å; A831-K834 PolarHBondContact O-N 3.46Å; K834-K836 PolarHBondContact O-N 2.92Å; K834-L837 PolarHBondContact O-N 2.9Å |
| 835 | D | 51.5 | Low | 56 | Low | 150 Ų | 150 | 121.6 Ų | 121.6 | 80% | 0.802 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -10 | -177.4 | -137.4 | 41 | 0 | 0 | 0 | 113.2 | A831 | A831-D835 PolarHBondContact O-N 3.26Š|
| 836 | K | 52.3 | Low | 55.5 | Low | 147 Ų | 147 | 117.3 Ų | 117.3 | 64% | 0.639 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -11.7 | 173.4 | -67 | 172.2 | -169.6 | 157.3 | 0 | 114.7 | L832 D833 K834 | L832-K836 WeakPolarHBondContact O-CE 3.48Å; D833-K836 IonicContact OD1-NZ 3.54Å; D833-K836 PolarHBondContact OD1-NZ 3.29Å; K834-K836 PolarHBondContact O-N 2.92Å |
| 837 | L | 50.4 | Low | 55 | Low | 144 Ų | 144 | 119.2 Ų | 119.2 | 75% | 0.754 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -42.3 | -170 | -87.9 | 160 | 0 | 0 | 0 | 114 | K834 | K834-L837 PolarHBondContact O-N 2.9Š|
| 838 | D | 46 | Very low | 54.8 | Low | 147 Ų | 147 | 117.7 Ų | 117.7 | 79% | 0.786 | 63% | 0.627 | S | S | * | * | trans | -104 | 88.4 | -173.2 | -73.1 | -48 | 0 | 0 | 0 | 112.9 | ||||
| 839 | G | 49.1 | Very low | 54.8 | Low | 75 Ų | 75 | 115.2 Ų | 115.2 | 77% | 0.773 | 62% | 0.621 | S | S | * | * | trans | -72.6 | 127.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 840 | H | 43.3 | Very low | 54.9 | Low | 205 Ų | 205 | 114.1 Ų | 114.1 | 95% | 0.949 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 77.1 | 106.1 | 167.9 | -137 | -77 | 0 | 0 | 0 | 116 | ||
| 841 | G | 49.8 | Very low | 55.3 | Low | 81 Ų | 81 | 113.3 Ų | 113.3 | 84% | 0.835 | 61% | 0.613 | S | S | * | * | trans | -144.4 | -92.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 842 | N | 50.9 | Low | 55.9 | Low | 100 Ų | 100 | 116.8 Ų | 116.8 | 54% | 0.535 | 62% | 0.621 | S | S | . | * | trans | -149.1 | 112.5 | -169.3 | -168 | -8.6 | 0 | 0 | 0 | 113.1 | K844 T845 | N842-K844 VanDerWaalsContact C-N 3.29Å; N842-K844 PolarHBondContact O-N 3.23Å; N842-K844 PolarHBondContact OD1-N 3.4Å; N842-K844 VanDerWaalsContact OD1-N 3.17Å; N842-T845 PolarHBondContact O-OG1 3.46Å | ||
| 843 | K | 54.2 | Low | 56.6 | Low | 189 Ų | 189 | 116.9 Ų | 116.9 | 82% | 0.822 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.1 | -21 | 179.7 | -77.7 | -171.8 | 175.4 | -177.9 | 0 | 114 | I847 | K843-I847 WeakPolarHBondContact O-CG1 3.49Å |
| 844 | K | 51.4 | Low | 57.3 | Low | 134 Ų | 134 | 116.8 Ų | 116.8 | 58% | 0.583 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.2 | -49.6 | -177.3 | -164.6 | -177.8 | -176.8 | -93.9 | 0 | 111.8 | N842 A846 I847 E848 | N842-K844 VanDerWaalsContact C-N 3.29Å; N842-K844 PolarHBondContact O-N 3.23Å; N842-K844 PolarHBondContact OD1-N 3.4Å; N842-K844 VanDerWaalsContact OD1-N 3.17Å; K844-A846 VanDerWaalsContact C-N 3.27Å; K844-A846 PolarHBondContact O-N 3Å; K844-I847 PolarHBondContact O-N 3.26Å; K844-I847 VanDerWaalsContact O-N 3.15Å; K844-E848 IonicContact NZ-OE1 2.63Å; K844-E848 PolarHBondContact NZ-OE1 3.43Å; K844-E848 IonicContact NZ-OE2 2.67Å; K844-E848 PolarHBondContact O-N 2.85Å; K844-E848 VanDerWaalsContact O-N 3.09Å |
| 845 | T | 55.9 | Low | 58.2 | Low | 61 Ų | 61 | 115.1 Ų | 115.1 | 37% | 0.374 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.1 | -29.6 | 179.2 | 49.7 | 0 | 0 | 0 | 0 | 112.3 | N842 I847 E848 N849 | N842-T845 PolarHBondContact O-OG1 3.46Å; T845-I847 PolarHBondContact O-N 3.47Å; T845-E848 PolarHBondContact O-N 3.47Å; T845-N849 VanDerWaalsContact O-CB 3.26Å; T845-N849 WeakPolarHBondContact O-CB 3.26Å; T845-N849 PolarHBondContact O-N 3Å; T845-N849 PolarHBondContact O-ND2 3.4Å; T845-N849 PolarHBondContact O-OD1 3.16Å |
| 846 | A | 58.9 | Low | 59.2 | Low | 54 Ų | 54 | 112.1 Ų | 112.1 | 45% | 0.446 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.1 | -43.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K844 N849 E850 | K844-A846 VanDerWaalsContact C-N 3.27Å; K844-A846 PolarHBondContact O-N 3Å; A846-N849 PolarHBondContact O-N 3.05Å; A846-E850 WeakPolarHBondContact O-CG 3.39Å; A846-E850 PolarHBondContact O-N 3.38Å |
| 847 | I | 61.4 | Low | 60.2 | Low | 122 Ų | 122 | 109.9 Ų | 109.9 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -71.3 | -39.2 | 179.2 | -63.7 | 167.7 | 0 | 0 | 0 | 111.2 | K843 K844 T845 E850 L851 | K843-I847 WeakPolarHBondContact O-CG1 3.49Å; K844-I847 PolarHBondContact O-N 3.26Å; K844-I847 VanDerWaalsContact O-N 3.15Å; T845-I847 PolarHBondContact O-N 3.47Å; I847-E850 PolarHBondContact O-N 2.88Å; I847-L851 WeakPolarHBondContact O-CB 3.46Å; I847-L851 PolarHBondContact O-N 3.24Å |
| 848 | E | 61.4 | Low | 61.3 | Low | 87 Ų | 87 | 110.6 Ų | 110.6 | 41% | 0.407 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.4 | -42.4 | 175 | -72.4 | 166 | 155.9 | 0 | 0 | 111.2 | K844 T845 L851 E852 | K844-E848 IonicContact NZ-OE1 2.63Å; K844-E848 PolarHBondContact NZ-OE1 3.43Å; K844-E848 IonicContact NZ-OE2 2.67Å; K844-E848 PolarHBondContact O-N 2.85Å; K844-E848 VanDerWaalsContact O-N 3.09Å; T845-E848 PolarHBondContact O-N 3.47Å; E848-L851 PolarHBondContact O-N 3.28Å; E848-E852 PolarHBondContact O-N 3.34Å |
| 849 | N | 64.8 | Low | 62.8 | Low | 88 Ų | 88 | 108.1 Ų | 108.1 | 47% | 0.471 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67 | -39.6 | 176 | -69.9 | -6.7 | 0 | 0 | 0 | 113 | T845 A846 L851 E852 K853 | T845-N849 VanDerWaalsContact O-CB 3.26Å; T845-N849 WeakPolarHBondContact O-CB 3.26Å; T845-N849 PolarHBondContact O-N 3Å; T845-N849 PolarHBondContact O-ND2 3.4Å; T845-N849 PolarHBondContact O-OD1 3.16Å; A846-N849 PolarHBondContact O-N 3.05Å; N849-L851 VanDerWaalsContact C-N 3.34Å; N849-E852 PolarHBondContact O-N 2.7Å; N849-K853 VanDerWaalsContact O-CG 3.3Å; N849-K853 WeakPolarHBondContact O-CG 3.32Å; N849-K853 PolarHBondContact O-N 2.84Å |
| 850 | E | 66.4 | Low | 64.1 | Low | 112 Ų | 112 | 106.2 Ų | 106.2 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 173.3 | -74.2 | -62.9 | 108.9 | 0 | 0 | 111.4 | A846 I847 E852 K853 E854 | A846-E850 WeakPolarHBondContact O-CG 3.39Å; A846-E850 PolarHBondContact O-N 3.38Å; I847-E850 PolarHBondContact O-N 2.88Å; E850-E852 PolarHBondContact O-N 3.11Å; E850-K853 PolarHBondContact O-N 3.01Å; E850-K853 WeakPolarHBondContact OE1-CD 3.33Å; E850-K853 WeakPolarHBondContact OE1-CE 3.39Å; E850-K853 IonicContact OE1-NZ 2.76Å; E850-K853 PolarHBondContact OE1-NZ 3.19Å; E850-E854 PolarHBondContact O-N 3.48Å |
| 851 | L | 69.1 | Low | 65.7 | Low | 88 Ų | 88 | 101.7 Ų | 101.7 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.3 | -34.5 | 177.2 | -174.4 | 65.3 | 0 | 0 | 0 | 112.6 | I847 E848 N849 K855 | I847-L851 WeakPolarHBondContact O-CB 3.46Å; I847-L851 PolarHBondContact O-N 3.24Å; E848-L851 PolarHBondContact O-N 3.28Å; N849-L851 VanDerWaalsContact C-N 3.34Å; L851-K855 WeakPolarHBondContact O-CD 3.36Å; L851-K855 VanDerWaalsContact O-CG 3.27Å; L851-K855 WeakPolarHBondContact O-CG 3.15Å; L851-K855 PolarHBondContact O-N 3.13Å; L851-K855 VanDerWaalsContact O-N 3.15Å |
| 852 | E | 71.6 | Confident | 67 | Low | 122 Ų | 122 | 103.4 Ų | 103.4 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.9 | -41.4 | 171.1 | -71.8 | -154.3 | 141.5 | 0 | 0 | 112.6 | E848 N849 E850 E854 K855 L856 | E848-E852 PolarHBondContact O-N 3.34Å; N849-E852 PolarHBondContact O-N 2.7Å; E850-E852 PolarHBondContact O-N 3.11Å; E852-E854 VanDerWaalsContact C-N 3.31Å; E852-E854 PolarHBondContact O-N 3.21Å; E852-K855 PolarHBondContact O-N 3.04Å; E852-L856 WeakPolarHBondContact O-CB 3.44Å; E852-L856 WeakPolarHBondContact O-CG 3.42Å; E852-L856 PolarHBondContact O-N 3.18Å |
| 853 | K | 69.5 | Low | 68.3 | Low | 105 Ų | 105 | 102 Ų | 102 | 46% | 0.457 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58 | -43.7 | 173.1 | -69.9 | 170.1 | -164.1 | 172.1 | 0 | 111.5 | N849 E850 L856 Q857 | N849-K853 VanDerWaalsContact O-CG 3.3Å; N849-K853 WeakPolarHBondContact O-CG 3.32Å; N849-K853 PolarHBondContact O-N 2.84Å; E850-K853 PolarHBondContact O-N 3.01Å; E850-K853 WeakPolarHBondContact OE1-CD 3.33Å; E850-K853 WeakPolarHBondContact OE1-CE 3.39Å; E850-K853 IonicContact OE1-NZ 2.76Å; E850-K853 PolarHBondContact OE1-NZ 3.19Å; K853-L856 PolarHBondContact O-N 3.36Å; K853-Q857 WeakPolarHBondContact O-CB 3.21Å; K853-Q857 WeakPolarHBondContact O-CG 3.43Å; K853-Q857 PolarHBondContact O-N 3.38Å |
| 854 | E | 70.9 | Confident | 69.4 | Low | 86 Ų | 86 | 95.4 Ų | 95.4 | 40% | 0.402 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 179.9 | -153.6 | -158.3 | 136.6 | 0 | 0 | 111.9 | E850 E852 Q857 R858 | E850-E854 PolarHBondContact O-N 3.48Å; E852-E854 VanDerWaalsContact C-N 3.31Å; E852-E854 PolarHBondContact O-N 3.21Å; E854-Q857 PolarHBondContact O-N 3.2Å; E854-R858 VanDerWaalsContact O-CG 3.28Å; E854-R858 WeakPolarHBondContact O-CG 3.24Å; E854-R858 PolarHBondContact O-N 3.37Å; E854-R858 IonicContact OE1-CZ 2.77Å; E854-R858 IonicContact OE1-NE 2.81Å; E854-R858 PolarHBondContact OE1-NE 3.28Å; E854-R858 IonicContact OE1-NH2 2.76Å; E854-R858 PolarHBondContact OE1-NH2 3.18Å |
| 855 | K | 72.7 | Confident | 70.9 | Confident | 121 Ų | 121 | 93.2 Ų | 93.2 | 53% | 0.526 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 172.6 | -73.6 | 167.2 | -177.6 | 171.7 | 0 | 111.9 | L851 E852 Q857 R858 E859 | L851-K855 WeakPolarHBondContact O-CD 3.36Å; L851-K855 VanDerWaalsContact O-CG 3.27Å; L851-K855 WeakPolarHBondContact O-CG 3.15Å; L851-K855 PolarHBondContact O-N 3.13Å; L851-K855 VanDerWaalsContact O-N 3.15Å; E852-K855 PolarHBondContact O-N 3.04Å; K855-Q857 VanDerWaalsContact C-N 3.31Å; K855-Q857 PolarHBondContact O-N 3.42Å; K855-R858 PolarHBondContact O-N 3.45Å; K855-E859 PolarHBondContact O-N 2.97Å |
| 856 | L | 73.1 | Confident | 71.9 | Confident | 87 Ų | 87 | 96 Ų | 96 | 46% | 0.455 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 178.9 | -74.5 | 166.7 | 0 | 0 | 0 | 112.2 | M824 E852 K853 M860 | M824-L856 HydrophobicContact CE-CB 4Å; E852-L856 WeakPolarHBondContact O-CB 3.44Å; E852-L856 WeakPolarHBondContact O-CG 3.42Å; E852-L856 PolarHBondContact O-N 3.18Å; K853-L856 PolarHBondContact O-N 3.36Å; L856-M860 WeakPolarHBondContact O-CB 3.2Å; L856-M860 PolarHBondContact O-N 3.49Å |
| 857 | Q | 73.6 | Confident | 73 | Confident | 100 Ų | 100 | 94.6 Ų | 94.6 | 47% | 0.467 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 172.9 | -75.8 | 179.6 | 2.7 | 0 | 0 | 112.1 | K853 E854 K855 M860 I861 | K853-Q857 WeakPolarHBondContact O-CB 3.21Å; K853-Q857 WeakPolarHBondContact O-CG 3.43Å; K853-Q857 PolarHBondContact O-N 3.38Å; E854-Q857 PolarHBondContact O-N 3.2Å; K855-Q857 VanDerWaalsContact C-N 3.31Å; K855-Q857 PolarHBondContact O-N 3.42Å; Q857-M860 PolarHBondContact O-N 2.93Å; Q857-I861 WeakPolarHBondContact O-CD1 3.21Å; Q857-I861 VanDerWaalsContact O-CG1 3.26Å; Q857-I861 WeakPolarHBondContact O-CG1 3.47Å; Q857-I861 PolarHBondContact O-N 3.26Å |
| 858 | R | 74.1 | Confident | 73.8 | Confident | 159 Ų | 159 | 96.2 Ų | 96.2 | 60% | 0.6 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 176.4 | -72.9 | 169.9 | 179.8 | -84.1 | 1.7 | 111.9 | E854 K855 I861 E862 | E854-R858 VanDerWaalsContact O-CG 3.28Å; E854-R858 WeakPolarHBondContact O-CG 3.24Å; E854-R858 PolarHBondContact O-N 3.37Å; E854-R858 IonicContact OE1-CZ 2.77Å; E854-R858 IonicContact OE1-NE 2.81Å; E854-R858 PolarHBondContact OE1-NE 3.28Å; E854-R858 IonicContact OE1-NH2 2.76Å; E854-R858 PolarHBondContact OE1-NH2 3.18Å; K855-R858 PolarHBondContact O-N 3.45Å; R858-I861 PolarHBondContact O-N 2.95Å; R858-E862 PolarHBondContact O-N 2.84Å |
| 859 | E | 77.1 | Confident | 74.8 | Confident | 95 Ų | 95 | 96.9 Ų | 96.9 | 44% | 0.444 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 176.9 | -163.8 | -163.7 | 126.6 | 0 | 0 | 112.1 | K855 E862 K863 | K855-E859 PolarHBondContact O-N 2.97Å; E859-E862 PolarHBondContact O-N 3.32Å; E859-K863 HydrophobicContact CG-CD 4.45Å; E859-K863 WeakPolarHBondContact O-CB 2.96Å; E859-K863 WeakPolarHBondContact O-CG 3.19Å; E859-K863 PolarHBondContact O-N 3.34Å; E859-K863 WeakPolarHBondContact OE1-CE 3.47Å; E859-K863 IonicContact OE1-NZ 3.1Å; E859-K863 PolarHBondContact OE1-NZ 2.89Å |
| 860 | M | 75.7 | Confident | 75.5 | Confident | 35 Ų | 35 | 94.7 Ų | 94.7 | 17% | 0.172 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 174.9 | -174.8 | -165.2 | -67.3 | 0 | 0 | 112.1 | L817 K821 M824 L856 Q857 E862 K863 E864 | L817-M860 HydrophobicContact CD1-CG 4.32Å; K821-M860 HydrophobicContact CD-SD 4.31Å; K821-M860 HydrophobicContact CG-CE 3.92Å; K821-M860 HydrophobicContact CG-CG 4.48Å; K821-M860 HydrophobicContact CG-SD 3.58Å; K821-M860 VanDerWaalsContact CG-SD 3.58Å; M824-M860 HydrophobicContact CB-CE 4.48Å; M824-M860 HydrophobicContact CE-CE 3.48Å; M824-M860 VanDerWaalsContact CE-CE 3.48Å; M824-M860 HydrophobicContact SD-CE 3.52Å; M824-M860 VanDerWaalsContact SD-CE 3.52Å; L856-M860 WeakPolarHBondContact O-CB 3.2Å; L856-M860 PolarHBondContact O-N 3.49Å; Q857-M860 PolarHBondContact O-N 2.93Å; M860-E862 VanDerWaalsContact C-N 3.34Å; M860-K863 PolarHBondContact O-N 3.28Å; M860-E864 PolarHBondContact O-N 2.95Å |
| 861 | I | 77.6 | Confident | 76.1 | Confident | 109 Ų | 109 | 93.9 Ų | 93.9 | 56% | 0.559 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.4 | -43.2 | 176.5 | -69.6 | 163.3 | 0 | 0 | 0 | 110.1 | Q857 R858 E864 V865 | Q857-I861 WeakPolarHBondContact O-CD1 3.21Å; Q857-I861 VanDerWaalsContact O-CG1 3.26Å; Q857-I861 WeakPolarHBondContact O-CG1 3.47Å; Q857-I861 PolarHBondContact O-N 3.26Å; R858-I861 PolarHBondContact O-N 2.95Å; I861-E864 PolarHBondContact O-N 3.25Å; I861-V865 WeakPolarHBondContact O-CG2 3.36Å; I861-V865 PolarHBondContact O-N 3.39Å |
| 862 | E | 76.4 | Confident | 76.7 | Confident | 118 Ų | 118 | 96.3 Ų | 96.3 | 55% | 0.551 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.7 | -45.7 | 177.2 | -168.7 | 178 | 165.9 | 0 | 0 | 112 | R858 E859 M860 E864 V865 Q866 | R858-E862 PolarHBondContact O-N 2.84Å; E859-E862 PolarHBondContact O-N 3.32Å; M860-E862 VanDerWaalsContact C-N 3.34Å; E862-E864 VanDerWaalsContact C-N 3.31Å; E862-E864 PolarHBondContact O-N 2.93Å; E862-V865 PolarHBondContact O-N 3.08Å; E862-Q866 WeakPolarHBondContact O-CG 3.38Å; E862-Q866 PolarHBondContact O-N 2.98Å |
| 863 | K | 78.1 | Confident | 77.4 | Confident | 70 Ų | 70 | 95.5 Ų | 95.5 | 30% | 0.304 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.9 | -42.6 | 173.3 | -77.2 | 166.7 | 165.9 | 172.9 | 0 | 112 | L817 E820 E859 M860 Q866 V867 | L817-K863 HydrophobicContact CD1-CB 3.85Å; L817-K863 HydrophobicContact CD1-CD 4.33Å; E820-K863 IonicContact OE2-NZ 3.46Å; E820-K863 PolarHBondContact OE2-NZ 2.71Å; E859-K863 HydrophobicContact CG-CD 4.45Å; E859-K863 WeakPolarHBondContact O-CB 2.96Å; E859-K863 WeakPolarHBondContact O-CG 3.19Å; E859-K863 PolarHBondContact O-N 3.34Å; E859-K863 WeakPolarHBondContact OE1-CE 3.47Å; E859-K863 IonicContact OE1-NZ 3.1Å; E859-K863 PolarHBondContact OE1-NZ 2.89Å; M860-K863 PolarHBondContact O-N 3.28Å; K863-Q866 PolarHBondContact O-N 3.47Å; K863-V867 WeakPolarHBondContact O-CG2 3.15Å; K863-V867 PolarHBondContact O-N 3.08Å |
| 864 | E | 78 | Confident | 78 | Confident | 51 Ų | 51 | 92.3 Ų | 92.3 | 24% | 0.238 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 177.4 | -169.7 | 173.8 | 152.5 | 0 | 0 | 112.3 | L817 K821 M860 I861 E862 Q866 V867 R868 | L817-E864 HydrophobicContact CD2-CB 3.95Å; L817-E864 HydrophobicContact CD2-CG 4.25Å; K821-E864 IonicContact NZ-OE2 2.83Å; K821-E864 PolarHBondContact NZ-OE2 3.04Å; M860-E864 PolarHBondContact O-N 2.95Å; I861-E864 PolarHBondContact O-N 3.25Å; E862-E864 VanDerWaalsContact C-N 3.31Å; E862-E864 PolarHBondContact O-N 2.93Å; E864-Q866 VanDerWaalsContact C-N 3.35Å; E864-Q866 PolarHBondContact O-N 3.11Å; E864-V867 PolarHBondContact O-N 2.78Å; E864-R868 HydrophobicContact CG-CG 4.47Å; E864-R868 WeakPolarHBondContact O-CG 3.32Å; E864-R868 PolarHBondContact O-N 3.26Å; E864-R868 IonicContact OE1-CZ 2.67Å; E864-R868 VanDerWaalsContact OE1-CZ 3.22Å; E864-R868 IonicContact OE1-NE 3.62Å; E864-R868 PolarHBondContact OE1-NE 2.96Å; E864-R868 IonicContact OE1-NH2 3.46Å; E864-R868 PolarHBondContact OE1-NH2 3.49Å |
| 865 | V | 83.3 | Confident | 78.5 | Confident | 87 Ų | 87 | 92.4 Ų | 92.4 | 53% | 0.527 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 175.4 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | I861 E862 V867 R868 L869 | I861-V865 WeakPolarHBondContact O-CG2 3.36Å; I861-V865 PolarHBondContact O-N 3.39Å; E862-V865 PolarHBondContact O-N 3.08Å; V865-V867 PolarHBondContact O-N 3.22Å; V865-R868 PolarHBondContact O-N 3Å; V865-L869 WeakPolarHBondContact O-CB 3.23Å; V865-L869 PolarHBondContact O-N 3.48Å |
| 866 | Q | 75.4 | Confident | 79.1 | Confident | 119 Ų | 119 | 92.3 Ų | 92.3 | 56% | 0.556 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.5 | -41.2 | 175.8 | -70.5 | -174.6 | 20.7 | 0 | 0 | 112.6 | E862 K863 E864 L869 A870 | E862-Q866 WeakPolarHBondContact O-CG 3.38Å; E862-Q866 PolarHBondContact O-N 2.98Å; K863-Q866 PolarHBondContact O-N 3.47Å; E864-Q866 VanDerWaalsContact C-N 3.35Å; E864-Q866 PolarHBondContact O-N 3.11Å; Q866-L869 PolarHBondContact O-N 3.3Å; Q866-A870 WeakPolarHBondContact O-CB 3.3Å; Q866-A870 PolarHBondContact O-N 3.36Å |
| 867 | V | 82.3 | Confident | 79.6 | Confident | 25 Ų | 25 | 91.9 Ų | 91.9 | 15% | 0.152 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 177 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | K813 E814 K863 E864 V865 A870 K871 | K813-V867 HydrophobicContact CB-CG2 4.42Å; E814-V867 HydrophobicContact CG-CG1 3.63Å; K863-V867 WeakPolarHBondContact O-CG2 3.15Å; K863-V867 PolarHBondContact O-N 3.08Å; E864-V867 PolarHBondContact O-N 2.78Å; V865-V867 PolarHBondContact O-N 3.22Å; V867-A870 PolarHBondContact O-N 3.4Å; V867-K871 WeakPolarHBondContact O-CB 3.28Å; V867-K871 PolarHBondContact O-N 3.38Å; V867-K871 VanDerWaalsContact O-N 3.1Å |
| 868 | R | 78.1 | Confident | 80.1 | Confident | 156 Ų | 156 | 93.7 Ų | 93.7 | 59% | 0.589 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.9 | -47.1 | 174.5 | -71.9 | 174.9 | -179.8 | -132.6 | 7.6 | 111.4 | E864 V865 A870 K871 E872 | E864-R868 HydrophobicContact CG-CG 4.47Å; E864-R868 WeakPolarHBondContact O-CG 3.32Å; E864-R868 PolarHBondContact O-N 3.26Å; E864-R868 IonicContact OE1-CZ 2.67Å; E864-R868 VanDerWaalsContact OE1-CZ 3.22Å; E864-R868 IonicContact OE1-NE 3.62Å; E864-R868 PolarHBondContact OE1-NE 2.96Å; E864-R868 IonicContact OE1-NH2 3.46Å; E864-R868 PolarHBondContact OE1-NH2 3.49Å; V865-R868 PolarHBondContact O-N 3Å; R868-A870 PolarHBondContact O-N 2.64Å; R868-K871 WeakPolarHBondContact O-CB 3.41Å; R868-K871 PolarHBondContact O-N 3.11Å; R868-K871 VanDerWaalsContact O-N 3.15Å; R868-E872 PolarHBondContact O-N 3.36Å |
| 869 | L | 83.6 | Confident | 80.5 | Confident | 101 Ų | 101 | 93.6 Ų | 93.6 | 53% | 0.529 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 179 | -169.3 | 73.9 | 0 | 0 | 0 | 112.2 | V865 Q866 K871 E872 L873 | V865-L869 WeakPolarHBondContact O-CB 3.23Å; V865-L869 PolarHBondContact O-N 3.48Å; Q866-L869 PolarHBondContact O-N 3.3Å; L869-K871 VanDerWaalsContact C-N 3.28Å; L869-K871 PolarHBondContact O-N 3.34Å; L869-E872 PolarHBondContact O-N 3Å; L869-L873 HydrophobicContact CG-CD1 4.47Å; L869-L873 WeakPolarHBondContact O-CG 3.35Å; L869-L873 PolarHBondContact O-N 3.34Å |
| 870 | A | 78.7 | Confident | 81 | Confident | 43 Ų | 43 | 93.6 Ų | 93.6 | 36% | 0.355 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.2 | -35.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q866 V867 R868 L874 | Q866-A870 WeakPolarHBondContact O-CB 3.3Å; Q866-A870 PolarHBondContact O-N 3.36Å; V867-A870 PolarHBondContact O-N 3.4Å; R868-A870 PolarHBondContact O-N 2.64Å; A870-L874 WeakPolarHBondContact O-CB 3.41Å; A870-L874 PolarHBondContact O-N 3.3Å; A870-L874 VanDerWaalsContact O-N 3.12Å |
| 871 | K | 79.3 | Confident | 81.5 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 41% | 0.409 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.7 | -42.9 | 177.8 | -165.1 | 170.7 | -174 | 167.5 | 0 | 112 | E814 V867 R868 L869 L874 E875 | E814-K871 IonicContact OE1-NZ 3.88Å; E814-K871 PolarHBondContact OE1-NZ 3.03Å; E814-K871 IonicContact OE2-NZ 2.72Å; V867-K871 WeakPolarHBondContact O-CB 3.28Å; V867-K871 PolarHBondContact O-N 3.38Å; V867-K871 VanDerWaalsContact O-N 3.1Å; R868-K871 WeakPolarHBondContact O-CB 3.41Å; R868-K871 PolarHBondContact O-N 3.11Å; R868-K871 VanDerWaalsContact O-N 3.15Å; L869-K871 VanDerWaalsContact C-N 3.28Å; L869-K871 PolarHBondContact O-N 3.34Å; K871-L874 PolarHBondContact O-N 2.96Å; K871-E875 PolarHBondContact O-N 2.7Å |
| 872 | E | 82.2 | Confident | 81.8 | Confident | 139 Ų | 139 | 96.6 Ų | 96.6 | 65% | 0.65 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 174.6 | -71.3 | -171.8 | 159.5 | 0 | 0 | 112.4 | R868 L869 E875 K876 | R868-E872 PolarHBondContact O-N 3.36Å; L869-E872 PolarHBondContact O-N 3Å; E872-E875 PolarHBondContact O-N 3.35Å; E872-K876 WeakPolarHBondContact O-CB 3.46Å; E872-K876 PolarHBondContact O-N 2.91Å |
| 873 | L | 84.7 | Confident | 82.3 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 55% | 0.55 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 176.1 | -70.9 | 171.6 | 0 | 0 | 0 | 112.2 | L869 K876 E877 | L869-L873 HydrophobicContact CG-CD1 4.47Å; L869-L873 WeakPolarHBondContact O-CG 3.35Å; L869-L873 PolarHBondContact O-N 3.34Å; L873-K876 PolarHBondContact O-N 3.38Å; L873-E877 PolarHBondContact O-N 2.89Å |
| 874 | L | 82.6 | Confident | 82.7 | Confident | 38 Ų | 38 | 98.7 Ų | 98.7 | 20% | 0.199 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 177.7 | -162.8 | 159.5 | 0 | 0 | 0 | 111.6 | Q806 A807 V810 A870 K871 R878 | Q806-L874 HydrophobicContact CB-CD1 4.44Å; A807-L874 HydrophobicContact CB-CD1 4.48Å; V810-L874 HydrophobicContact CG2-CD1 4.31Å; A870-L874 WeakPolarHBondContact O-CB 3.41Å; A870-L874 PolarHBondContact O-N 3.3Å; A870-L874 VanDerWaalsContact O-N 3.12Å; K871-L874 PolarHBondContact O-N 2.96Å; L874-R878 WeakPolarHBondContact O-CB 3.27Å; L874-R878 PolarHBondContact O-N 3.26Å; L874-R878 VanDerWaalsContact O-N 3.14Å |
| 875 | E | 81.4 | Confident | 83.1 | Confident | 88 Ų | 88 | 102.6 Ų | 102.6 | 41% | 0.411 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 170.3 | -85.2 | -155 | -146.5 | 0 | 0 | 112.9 | K871 E872 R878 R879 | K871-E875 PolarHBondContact O-N 2.7Å; E872-E875 PolarHBondContact O-N 3.35Å; E875-R878 PolarHBondContact O-N 3.35Å; E875-R879 VanDerWaalsContact O-CG 3.22Å; E875-R879 WeakPolarHBondContact O-CG 3.46Å; E875-R879 PolarHBondContact O-N 3.21Å; E875-R879 IonicContact OE2-CZ 2.74Å; E875-R879 IonicContact OE2-NE 3.98Å; E875-R879 IonicContact OE2-NH2 2.65Å; E875-R879 PolarHBondContact OE2-NH2 3.03Å |
| 876 | K | 85.8 | Confident | 83.2 | Confident | 119 Ų | 119 | 107.2 Ų | 107.2 | 52% | 0.517 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -49.9 | 177.5 | -178.6 | 178.2 | 168.5 | -177 | 0 | 111.3 | E872 L873 R878 R879 E880 | E872-K876 WeakPolarHBondContact O-CB 3.46Å; E872-K876 PolarHBondContact O-N 2.91Å; L873-K876 PolarHBondContact O-N 3.38Å; K876-R878 VanDerWaalsContact C-N 3.27Å; K876-R878 PolarHBondContact O-N 3.06Å; K876-R879 WeakPolarHBondContact O-CB 3.4Å; K876-R879 PolarHBondContact O-N 3.43Å; K876-E880 WeakPolarHBondContact CE-OE1 3.36Å; K876-E880 IonicContact NZ-OE1 3.63Å; K876-E880 WeakPolarHBondContact O-CG 3.46Å; K876-E880 PolarHBondContact O-N 3.29Å |
| 877 | E | 84.3 | Confident | 83.8 | Confident | 78 Ų | 78 | 106.7 Ų | 106.7 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.4 | -38.4 | 177.4 | -166.8 | -166.5 | 153.8 | 0 | 0 | 111.8 | L873 E880 K881 | L873-E877 PolarHBondContact O-N 2.89Å; E877-E880 PolarHBondContact O-N 2.97Å; E877-K881 WeakPolarHBondContact O-CG 3.49Å; E877-K881 PolarHBondContact O-N 3.31Å; E877-K881 WeakPolarHBondContact OE1-CE 3.39Å; E877-K881 IonicContact OE1-NZ 2.83Å; E877-K881 PolarHBondContact OE1-NZ 3.36Å |
| 878 | R | 83.4 | Confident | 84 | Confident | 138 Ų | 138 | 114 Ų | 114 | 52% | 0.521 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 174.5 | -170.1 | -169.5 | -58.2 | -136.6 | 1.3 | 112.3 | L874 E875 K876 L882 | L874-R878 WeakPolarHBondContact O-CB 3.27Å; L874-R878 PolarHBondContact O-N 3.26Å; L874-R878 VanDerWaalsContact O-N 3.14Å; E875-R878 PolarHBondContact O-N 3.35Å; K876-R878 VanDerWaalsContact C-N 3.27Å; K876-R878 PolarHBondContact O-N 3.06Å; R878-L882 HydrophobicContact CG-CD1 4.42Å; R878-L882 WeakPolarHBondContact O-CB 3.5Å; R878-L882 PolarHBondContact O-N 3.47Å |
| 879 | R | 82.8 | Confident | 84.3 | Confident | 157 Ų | 157 | 109.4 Ų | 109.4 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.7 | -42.1 | 177.3 | -69 | 165.2 | -168.9 | -149.8 | 7.9 | 110.9 | E875 K876 L882 Q883 | E875-R879 VanDerWaalsContact O-CG 3.22Å; E875-R879 WeakPolarHBondContact O-CG 3.46Å; E875-R879 PolarHBondContact O-N 3.21Å; E875-R879 IonicContact OE2-CZ 2.74Å; E875-R879 IonicContact OE2-NE 3.98Å; E875-R879 IonicContact OE2-NH2 2.65Å; E875-R879 PolarHBondContact OE2-NH2 3.03Å; K876-R879 WeakPolarHBondContact O-CB 3.4Å; K876-R879 PolarHBondContact O-N 3.43Å; R879-L882 PolarHBondContact O-N 2.98Å; R879-Q883 WeakPolarHBondContact O-CG 3.45Å; R879-Q883 PolarHBondContact O-N 3.4Å |
| 880 | E | 87.6 | Confident | 84.5 | Confident | 95 Ų | 95 | 110.7 Ų | 110.7 | 44% | 0.444 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 177.1 | -71.9 | 170.7 | 175.4 | 0 | 0 | 111.8 | K876 E877 L882 Q883 L884 | K876-E880 WeakPolarHBondContact CE-OE1 3.36Å; K876-E880 IonicContact NZ-OE1 3.63Å; K876-E880 WeakPolarHBondContact O-CG 3.46Å; K876-E880 PolarHBondContact O-N 3.29Å; E877-E880 PolarHBondContact O-N 2.97Å; E880-L882 PolarHBondContact O-N 3.03Å; E880-Q883 PolarHBondContact O-N 2.9Å; E880-L884 WeakPolarHBondContact O-CB 3.3Å; E880-L884 PolarHBondContact O-N 3.09Å |
| 881 | K | 85.8 | Confident | 84.8 | Confident | 120 Ų | 120 | 114.5 Ų | 114.5 | 52% | 0.522 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 173.4 | -74 | 176.3 | -177.6 | 172.4 | 0 | 112.5 | E877 Q883 L884 E885 | E877-K881 WeakPolarHBondContact O-CG 3.49Å; E877-K881 PolarHBondContact O-N 3.31Å; E877-K881 WeakPolarHBondContact OE1-CE 3.39Å; E877-K881 IonicContact OE1-NZ 2.83Å; E877-K881 PolarHBondContact OE1-NZ 3.36Å; K881-Q883 VanDerWaalsContact C-N 3.29Å; K881-Q883 PolarHBondContact O-N 3.06Å; K881-L884 PolarHBondContact O-N 3.4Å; K881-E885 PolarHBondContact O-N 3.41Å |
| 882 | L | 85 | Confident | 85.2 | Confident | 87 Ų | 87 | 114 Ų | 114 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -28.9 | 175.8 | -88.4 | 165.7 | 0 | 0 | 0 | 113.8 | R878 R879 E880 R886 | R878-L882 HydrophobicContact CG-CD1 4.42Å; R878-L882 WeakPolarHBondContact O-CB 3.5Å; R878-L882 PolarHBondContact O-N 3.47Å; R879-L882 PolarHBondContact O-N 2.98Å; E880-L882 PolarHBondContact O-N 3.03Å; L882-R886 VanDerWaalsContact O-CG 3.26Å; L882-R886 WeakPolarHBondContact O-CG 3.32Å; L882-R886 PolarHBondContact O-N 3.24Å |
| 883 | Q | 85.3 | Confident | 85.6 | Confident | 123 Ų | 123 | 114.8 Ų | 114.8 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.5 | -45.3 | 172 | -75.5 | 173.4 | -41.3 | 0 | 0 | 111.1 | R879 E880 K881 E885 R886 E887 | R879-Q883 WeakPolarHBondContact O-CG 3.45Å; R879-Q883 PolarHBondContact O-N 3.4Å; E880-Q883 PolarHBondContact O-N 2.9Å; K881-Q883 VanDerWaalsContact C-N 3.29Å; K881-Q883 PolarHBondContact O-N 3.06Å; Q883-E885 PolarHBondContact O-N 3.26Å; Q883-R886 WeakPolarHBondContact O-CB 3.34Å; Q883-R886 PolarHBondContact O-N 2.93Å; Q883-R886 VanDerWaalsContact O-N 3.16Å; Q883-E887 PolarHBondContact O-N 3.47Å |
| 884 | L | 86.9 | Confident | 85.8 | Confident | 110 Ų | 110 | 114.1 Ų | 114.1 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.3 | -37.2 | -177.9 | -156.2 | 156.4 | 0 | 0 | 0 | 112.2 | E880 K881 R888 | E880-L884 WeakPolarHBondContact O-CB 3.3Å; E880-L884 PolarHBondContact O-N 3.09Å; K881-L884 PolarHBondContact O-N 3.4Å; L884-R888 PolarHBondContact O-N 3.04Å |
| 885 | E | 86.1 | Confident | 85.9 | Confident | 132 Ų | 132 | 118.3 Ų | 118.3 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.6 | -41.6 | 170.6 | -73.9 | -173.2 | 145.1 | 0 | 0 | 112.6 | K881 Q883 R888 A889 | K881-E885 PolarHBondContact O-N 3.41Å; Q883-E885 PolarHBondContact O-N 3.26Å; E885-R888 PolarHBondContact O-N 2.69Å; E885-A889 WeakPolarHBondContact O-CB 3.48Å; E885-A889 PolarHBondContact O-N 3.46Å |
| 886 | R | 86.1 | Confident | 86.2 | Confident | 185 Ų | 185 | 121.1 Ų | 121.1 | 70% | 0.698 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.4 | -44.2 | 176.4 | -76.7 | 175.4 | 179.7 | -144.7 | 0.1 | 112 | L882 Q883 R888 A889 E890 | L882-R886 VanDerWaalsContact O-CG 3.26Å; L882-R886 WeakPolarHBondContact O-CG 3.32Å; L882-R886 PolarHBondContact O-N 3.24Å; Q883-R886 WeakPolarHBondContact O-CB 3.34Å; Q883-R886 PolarHBondContact O-N 2.93Å; Q883-R886 VanDerWaalsContact O-N 3.16Å; R886-R888 VanDerWaalsContact C-N 3.32Å; R886-R888 PolarHBondContact O-N 3.28Å; R886-A889 PolarHBondContact O-N 3.02Å; R886-E890 WeakPolarHBondContact O-CB 3.33Å; R886-E890 PolarHBondContact O-N 3.37Å |
| 887 | E | 87.8 | Confident | 86.2 | Confident | 108 Ų | 108 | 118.6 Ų | 118.6 | 51% | 0.505 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 175 | -79 | -162.4 | -164 | 0 | 0 | 112.5 | Q883 E890 K891 | Q883-E887 PolarHBondContact O-N 3.47Å; E887-E890 PolarHBondContact O-N 3.36Å; E887-K891 WeakPolarHBondContact O-CB 3.45Å; E887-K891 WeakPolarHBondContact O-CD 3.22Å; E887-K891 VanDerWaalsContact O-CG 3.28Å; E887-K891 WeakPolarHBondContact O-CG 3.35Å; E887-K891 PolarHBondContact O-N 2.9Å; E887-K891 IonicContact OE2-NZ 2.58Å; E887-K891 PolarHBondContact OE2-NZ 3.22Å |
| 888 | R | 86.1 | Confident | 86.4 | Confident | 178 Ų | 178 | 118.7 Ų | 118.7 | 67% | 0.672 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.5 | -46.5 | 176.5 | 178.6 | 175.1 | -82.9 | 171.8 | -6.6 | 111 | L884 E885 R886 E890 K891 E892 | L884-R888 PolarHBondContact O-N 3.04Å; E885-R888 PolarHBondContact O-N 2.69Å; R886-R888 VanDerWaalsContact C-N 3.32Å; R886-R888 PolarHBondContact O-N 3.28Å; R888-E890 VanDerWaalsContact C-N 3.34Å; R888-E890 PolarHBondContact O-N 3.34Å; R888-K891 PolarHBondContact O-N 3.18Å; R888-E892 WeakPolarHBondContact O-CB 3.43Å; R888-E892 PolarHBondContact O-N 2.81Å |
| 889 | A | 85.3 | Confident | 86.5 | Confident | 60 Ų | 60 | 118.1 Ų | 118.1 | 50% | 0.496 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E885 R886 R893 | E885-A889 WeakPolarHBondContact O-CB 3.48Å; E885-A889 PolarHBondContact O-N 3.46Å; R886-A889 PolarHBondContact O-N 3.02Å; A889-R893 WeakPolarHBondContact O-CB 3.3Å; A889-R893 PolarHBondContact O-N 3.3Å |
| 890 | E | 87.4 | Confident | 86.8 | Confident | 127 Ų | 127 | 113.4 Ų | 113.4 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.2 | -42.1 | 175.5 | -173.1 | 166.8 | -171.3 | 0 | 0 | 111.8 | R886 E887 R888 R893 I894 | R886-E890 WeakPolarHBondContact O-CB 3.33Å; R886-E890 PolarHBondContact O-N 3.37Å; E887-E890 PolarHBondContact O-N 3.36Å; R888-E890 VanDerWaalsContact C-N 3.34Å; R888-E890 PolarHBondContact O-N 3.34Å; E890-R893 PolarHBondContact O-N 3.44Å; E890-I894 HydrophobicContact CG-CD1 4.05Å; E890-I894 VanDerWaalsContact O-CG1 3.31Å; E890-I894 WeakPolarHBondContact O-CG1 3.29Å; E890-I894 PolarHBondContact O-N 3.13Å |
| 891 | K | 84.6 | Confident | 86.6 | Confident | 124 Ų | 124 | 115.6 Ų | 115.6 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.7 | -49.8 | 173 | -76.5 | 162.9 | 178.7 | 154.5 | 0 | 111.5 | E887 R888 R893 I894 E895 | E887-K891 WeakPolarHBondContact O-CB 3.45Å; E887-K891 WeakPolarHBondContact O-CD 3.22Å; E887-K891 VanDerWaalsContact O-CG 3.28Å; E887-K891 WeakPolarHBondContact O-CG 3.35Å; E887-K891 PolarHBondContact O-N 2.9Å; E887-K891 IonicContact OE2-NZ 2.58Å; E887-K891 PolarHBondContact OE2-NZ 3.22Å; R888-K891 PolarHBondContact O-N 3.18Å; K891-R893 VanDerWaalsContact C-N 3.26Å; K891-R893 PolarHBondContact O-N 2.95Å; K891-I894 PolarHBondContact O-N 3.44Å; K891-I894 VanDerWaalsContact O-N 3.07Å; K891-E895 WeakPolarHBondContact O-CB 3.38Å; K891-E895 PolarHBondContact O-N 2.68Å |
| 892 | E | 87.8 | Confident | 86.6 | Confident | 84 Ų | 84 | 114.4 Ų | 114.4 | 39% | 0.393 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.7 | -32 | 177.9 | -163.9 | -170.7 | 140 | 0 | 0 | 112.5 | R888 R896 | R888-E892 WeakPolarHBondContact O-CB 3.43Å; R888-E892 PolarHBondContact O-N 2.81Å; E892-R896 WeakPolarHBondContact O-CG 3.23Å; E892-R896 PolarHBondContact O-N 3.13Å; E892-R896 IonicContact OE1-CZ 2.95Å; E892-R896 IonicContact OE1-NH1 3.59Å; E892-R896 PolarHBondContact OE1-NH1 3.11Å; E892-R896 IonicContact OE1-NH2 3.98Å; E892-R896 PolarHBondContact OE1-NH2 2.91Å |
| 893 | R | 90.7 | Very high | 86.8 | Confident | 154 Ų | 154 | 116.5 Ų | 116.5 | 58% | 0.581 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.7 | -39.8 | 173 | -166.4 | -159.5 | 172 | -70.6 | -4.6 | 112.2 | A889 E890 K891 E897 | A889-R893 WeakPolarHBondContact O-CB 3.3Å; A889-R893 PolarHBondContact O-N 3.3Å; E890-R893 PolarHBondContact O-N 3.44Å; K891-R893 VanDerWaalsContact C-N 3.26Å; K891-R893 PolarHBondContact O-N 2.95Å; R893-E897 IonicContact CZ-OE2 3.14Å; R893-E897 IonicContact NH1-OE2 2.61Å; R893-E897 PolarHBondContact NH1-OE2 3.33Å; R893-E897 IonicContact NH2-OE2 2.67Å; R893-E897 PolarHBondContact O-N 3.36Å |
| 894 | I | 88.4 | Confident | 86.9 | Confident | 91 Ų | 91 | 116 Ų | 116 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 177.7 | -70.5 | 164.1 | 0 | 0 | 0 | 110.2 | E890 K891 E897 V898 | E890-I894 HydrophobicContact CG-CD1 4.05Å; E890-I894 VanDerWaalsContact O-CG1 3.31Å; E890-I894 WeakPolarHBondContact O-CG1 3.29Å; E890-I894 PolarHBondContact O-N 3.13Å; K891-I894 PolarHBondContact O-N 3.44Å; K891-I894 VanDerWaalsContact O-N 3.07Å; I894-E897 CarbonylContact O-C 3.53Å; I894-E897 PolarHBondContact O-N 3.23Å; I894-E897 VanDerWaalsContact O-N 3.1Å; I894-V898 HydrophobicContact CG2-CG2 4.47Å; I894-V898 WeakPolarHBondContact O-CG2 3.37Å; I894-V898 PolarHBondContact O-N 2.91Å |
| 895 | E | 86.4 | Confident | 86.8 | Confident | 126 Ų | 126 | 115.1 Ų | 115.1 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -57.7 | -50.7 | 179.9 | -164.7 | 157.4 | -139.4 | 0 | 0 | 111.2 | K891 E897 V898 E899 | K891-E895 WeakPolarHBondContact O-CB 3.38Å; K891-E895 PolarHBondContact O-N 2.68Å; E895-E897 VanDerWaalsContact C-N 3.33Å; E895-E897 PolarHBondContact O-N 3.01Å; E895-V898 WeakPolarHBondContact O-CA 3.27Å; E895-V898 WeakPolarHBondContact O-CB 3.34Å; E895-V898 PolarHBondContact O-N 3.29Å; E895-E899 PolarHBondContact O-N 3.13Å |
| 896 | R | 86 | Confident | 86.8 | Confident | 147 Ų | 147 | 116.2 Ų | 116.2 | 56% | 0.555 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.9 | -35 | 173 | -70.2 | -174 | -177.8 | 111.8 | 7.1 | 114.2 | E892 V898 A900 | E892-R896 WeakPolarHBondContact O-CG 3.23Å; E892-R896 PolarHBondContact O-N 3.13Å; E892-R896 IonicContact OE1-CZ 2.95Å; E892-R896 IonicContact OE1-NH1 3.59Å; E892-R896 PolarHBondContact OE1-NH1 3.11Å; E892-R896 IonicContact OE1-NH2 3.98Å; E892-R896 PolarHBondContact OE1-NH2 2.91Å; R896-V898 VanDerWaalsContact C-N 3.28Å; R896-A900 WeakPolarHBondContact O-CB 3.39Å; R896-A900 PolarHBondContact O-N 3.47Å; R896-A900 VanDerWaalsContact O-N 3.13Å |
| 897 | E | 86.1 | Confident | 86.9 | Confident | 66 Ų | 66 | 111.5 Ų | 111.5 | 31% | 0.308 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.1 | -21.6 | 175.9 | -155.6 | -172.4 | 127.2 | 0 | 0 | 112.1 | R893 I894 E895 R901 | R893-E897 IonicContact CZ-OE2 3.14Å; R893-E897 IonicContact NH1-OE2 2.61Å; R893-E897 PolarHBondContact NH1-OE2 3.33Å; R893-E897 IonicContact NH2-OE2 2.67Å; R893-E897 PolarHBondContact O-N 3.36Å; I894-E897 CarbonylContact O-C 3.53Å; I894-E897 PolarHBondContact O-N 3.23Å; I894-E897 VanDerWaalsContact O-N 3.1Å; E895-E897 VanDerWaalsContact C-N 3.33Å; E895-E897 PolarHBondContact O-N 3.01Å; E897-R901 WeakPolarHBondContact O-CD 3.23Å; E897-R901 WeakPolarHBondContact O-CG 3.34Å; E897-R901 PolarHBondContact O-NE 3.42Å; E897-R901 IonicContact OE1-CZ 2.67Å; E897-R901 IonicContact OE1-NE 3.76Å; E897-R901 PolarHBondContact OE1-NE 2.94Å; E897-R901 IonicContact OE1-NH2 2.73Å; E897-R901 PolarHBondContact OE1-NH2 2.91Å |
| 898 | V | 88.6 | Confident | 86.8 | Confident | 81 Ų | 81 | 111.1 Ų | 111.1 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -79.4 | -48.2 | 171.3 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | I894 E895 R896 A900 R901 V902 | I894-V898 HydrophobicContact CG2-CG2 4.47Å; I894-V898 WeakPolarHBondContact O-CG2 3.37Å; I894-V898 PolarHBondContact O-N 2.91Å; E895-V898 WeakPolarHBondContact O-CA 3.27Å; E895-V898 WeakPolarHBondContact O-CB 3.34Å; E895-V898 PolarHBondContact O-N 3.29Å; R896-V898 VanDerWaalsContact C-N 3.28Å; V898-A900 PolarHBondContact O-N 3.44Å; V898-R901 WeakPolarHBondContact O-CB 3.49Å; V898-R901 PolarHBondContact O-N 3.02Å; V898-V902 HydrophobicContact CG1-CG2 4.4Å; V898-V902 WeakPolarHBondContact O-CG2 3.39Å; V898-V902 PolarHBondContact O-N 2.86Å |
| 899 | E | 85 | Confident | 86.7 | Confident | 125 Ų | 125 | 109 Ų | 109 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -54.4 | -50.4 | 177.2 | -69.5 | 179.2 | 136.1 | 0 | 0 | 111.6 | E895 R901 V902 E903 | E895-E899 PolarHBondContact O-N 3.13Å; E899-R901 PolarHBondContact O-N 2.88Å; E899-V902 PolarHBondContact O-N 3.42Å; E899-V902 VanDerWaalsContact O-N 3.11Å; E899-E903 PolarHBondContact O-N 3.5Å |
| 900 | A | 89.1 | Confident | 86.9 | Confident | 59 Ų | 59 | 109.5 Ų | 109.5 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -24 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R896 V898 K904 | R896-A900 WeakPolarHBondContact O-CB 3.39Å; R896-A900 PolarHBondContact O-N 3.47Å; R896-A900 VanDerWaalsContact O-N 3.13Å; V898-A900 PolarHBondContact O-N 3.44Å; A900-K904 WeakPolarHBondContact O-CB 3.17Å; A900-K904 PolarHBondContact O-N 3.49Å |
| 901 | R | 83.3 | Confident | 86.9 | Confident | 141 Ų | 141 | 110.6 Ų | 110.6 | 53% | 0.532 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -78.3 | -41.6 | 172.7 | -74.5 | 169.5 | -172.4 | -75.6 | -4.8 | 111.7 | E897 V898 E899 K904 E905 | E897-R901 WeakPolarHBondContact O-CD 3.23Å; E897-R901 WeakPolarHBondContact O-CG 3.34Å; E897-R901 PolarHBondContact O-NE 3.42Å; E897-R901 IonicContact OE1-CZ 2.67Å; E897-R901 IonicContact OE1-NE 3.76Å; E897-R901 PolarHBondContact OE1-NE 2.94Å; E897-R901 IonicContact OE1-NH2 2.73Å; E897-R901 PolarHBondContact OE1-NH2 2.91Å; V898-R901 WeakPolarHBondContact O-CB 3.49Å; V898-R901 PolarHBondContact O-N 3.02Å; E899-R901 PolarHBondContact O-N 2.88Å; R901-K904 PolarHBondContact O-N 3.47Å; R901-E905 PolarHBondContact O-N 2.99Å |
| 902 | V | 87.4 | Confident | 86.9 | Confident | 94 Ų | 94 | 113.3 Ų | 113.3 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 177.1 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | V898 E899 E905 R906 | V898-V902 HydrophobicContact CG1-CG2 4.4Å; V898-V902 WeakPolarHBondContact O-CG2 3.39Å; V898-V902 PolarHBondContact O-N 2.86Å; E899-V902 PolarHBondContact O-N 3.42Å; E899-V902 VanDerWaalsContact O-N 3.11Å; V902-E905 PolarHBondContact O-N 3.25Å; V902-R906 WeakPolarHBondContact O-CB 3.35Å; V902-R906 PolarHBondContact O-N 2.91Å |
| 903 | E | 88.3 | Confident | 86.9 | Confident | 132 Ų | 132 | 114.5 Ų | 114.5 | 62% | 0.617 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 174.9 | -172.6 | 177.1 | -155.5 | 0 | 0 | 111.8 | E899 R906 L907 | E899-E903 PolarHBondContact O-N 3.5Å; E903-R906 WeakPolarHBondContact O-CB 3.29Å; E903-R906 PolarHBondContact O-N 3.3Å; E903-L907 HydrophobicContact CG-CD1 4.41Å; E903-L907 PolarHBondContact O-N 3.41Å |
| 904 | K | 87.3 | Confident | 86.7 | Confident | 113 Ų | 113 | 114 Ų | 114 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 176 | -176 | 175.2 | 178.9 | -68.8 | 0 | 112.6 | A900 R901 R906 L907 E908 | A900-K904 WeakPolarHBondContact O-CB 3.17Å; A900-K904 PolarHBondContact O-N 3.49Å; R901-K904 PolarHBondContact O-N 3.47Å; K904-R906 VanDerWaalsContact C-N 3.29Å; K904-R906 PolarHBondContact O-N 3.05Å; K904-L907 PolarHBondContact O-N 3.26Å; K904-E908 WeakPolarHBondContact CE-OE1 3.49Å; K904-E908 IonicContact NZ-OE1 2.8Å; K904-E908 PolarHBondContact NZ-OE1 3.23Å; K904-E908 IonicContact NZ-OE2 2.65Å; K904-E908 PolarHBondContact NZ-OE2 2.72Å; K904-E908 WeakPolarHBondContact O-CG 3.44Å; K904-E908 PolarHBondContact O-N 3.1Å |
| 905 | E | 84.5 | Confident | 86.5 | Confident | 91 Ų | 91 | 113.9 Ų | 113.9 | 43% | 0.425 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 173.9 | -85.7 | -166.7 | -144.5 | 0 | 0 | 111.8 | R901 V902 E908 R909 | R901-E905 PolarHBondContact O-N 2.99Å; V902-E905 PolarHBondContact O-N 3.25Å; E905-E908 PolarHBondContact O-N 3.47Å; E905-R909 WeakPolarHBondContact O-CG 3.45Å; E905-R909 PolarHBondContact O-N 3.29Å; E905-R909 IonicContact OE2-CZ 3.14Å; E905-R909 IonicContact OE2-NH2 2.77Å; E905-R909 PolarHBondContact OE2-NH2 3.27Å |
| 906 | R | 86.8 | Confident | 86.5 | Confident | 154 Ų | 154 | 112 Ų | 112 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.5 | -46.3 | 178 | -166.7 | 179.8 | 178.5 | -63.3 | -22.1 | 111.3 | V902 E903 K904 E908 R909 E910 | V902-R906 WeakPolarHBondContact O-CB 3.35Å; V902-R906 PolarHBondContact O-N 2.91Å; E903-R906 WeakPolarHBondContact O-CB 3.29Å; E903-R906 PolarHBondContact O-N 3.3Å; K904-R906 VanDerWaalsContact C-N 3.29Å; K904-R906 PolarHBondContact O-N 3.05Å; R906-E908 VanDerWaalsContact C-N 3.34Å; R906-E908 PolarHBondContact O-N 3Å; R906-R909 PolarHBondContact O-N 2.85Å; R906-E910 IonicContact CZ-OE1 3.22Å; R906-E910 IonicContact NH1-OE1 3.14Å; R906-E910 PolarHBondContact NH1-OE1 2.89Å; R906-E910 IonicContact NH1-OE2 2.67Å; R906-E910 IonicContact NH2-OE1 2.96Å; R906-E910 PolarHBondContact NH2-OE1 2.93Å; R906-E910 PolarHBondContact O-N 3.2Å |
| 907 | L | 87.7 | Confident | 86.5 | Confident | 87 Ų | 87 | 113.4 Ų | 113.4 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -33.8 | 175.1 | -75.9 | 166.8 | 0 | 0 | 0 | 113.2 | E903 K904 K911 | E903-L907 HydrophobicContact CG-CD1 4.41Å; E903-L907 PolarHBondContact O-N 3.41Å; K904-L907 PolarHBondContact O-N 3.26Å; L907-K911 WeakPolarHBondContact O-CG 3.18Å; L907-K911 PolarHBondContact O-N 3.34Å |
| 908 | E | 86.1 | Confident | 86.4 | Confident | 100 Ų | 100 | 116.5 Ų | 116.5 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.5 | -33.3 | 176.2 | -75.6 | 177.4 | 159.8 | 0 | 0 | 112.2 | K904 E905 R906 R912 | K904-E908 WeakPolarHBondContact CE-OE1 3.49Å; K904-E908 IonicContact NZ-OE1 2.8Å; K904-E908 PolarHBondContact NZ-OE1 3.23Å; K904-E908 IonicContact NZ-OE2 2.65Å; K904-E908 PolarHBondContact NZ-OE2 2.72Å; K904-E908 WeakPolarHBondContact O-CG 3.44Å; K904-E908 PolarHBondContact O-N 3.1Å; E905-E908 PolarHBondContact O-N 3.47Å; R906-E908 VanDerWaalsContact C-N 3.34Å; R906-E908 PolarHBondContact O-N 3Å; E908-R912 WeakPolarHBondContact O-CB 3.38Å; E908-R912 PolarHBondContact O-N 3.11Å; E908-R912 VanDerWaalsContact O-N 3.12Å |
| 909 | R | 84 | Confident | 86 | Confident | 133 Ų | 133 | 117.9 Ų | 117.9 | 50% | 0.502 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.8 | -49.1 | 170.8 | -69.9 | 178.8 | -158.4 | -164.3 | 9.5 | 112.4 | E905 R906 K911 R912 E913 | E905-R909 WeakPolarHBondContact O-CG 3.45Å; E905-R909 PolarHBondContact O-N 3.29Å; E905-R909 IonicContact OE2-CZ 3.14Å; E905-R909 IonicContact OE2-NH2 2.77Å; E905-R909 PolarHBondContact OE2-NH2 3.27Å; R906-R909 PolarHBondContact O-N 2.85Å; R909-K911 PolarHBondContact O-N 3.45Å; R909-R912 WeakPolarHBondContact O-CA 3.3Å; R909-R912 WeakPolarHBondContact O-CB 3.49Å; R909-R912 PolarHBondContact O-N 3.46Å; R909-E913 PolarHBondContact O-N 3.38Å |
| 910 | E | 88.6 | Confident | 86 | Confident | 71 Ų | 71 | 116.7 Ų | 116.7 | 33% | 0.332 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.9 | -33.8 | 178.1 | -74.1 | -177.7 | 169.4 | 0 | 0 | 112.5 | R906 K914 | R906-E910 IonicContact CZ-OE1 3.22Å; R906-E910 IonicContact NH1-OE1 3.14Å; R906-E910 PolarHBondContact NH1-OE1 2.89Å; R906-E910 IonicContact NH1-OE2 2.67Å; R906-E910 IonicContact NH2-OE1 2.96Å; R906-E910 PolarHBondContact NH2-OE1 2.93Å; R906-E910 PolarHBondContact O-N 3.2Å; E910-K914 WeakPolarHBondContact O-CG 3.27Å; E910-K914 PolarHBondContact O-N 3.47Å |
| 911 | K | 88.9 | Confident | 85.8 | Confident | 149 Ų | 149 | 119.7 Ų | 119.7 | 65% | 0.648 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.5 | -40.6 | 171.6 | -76.2 | 177.1 | 178.8 | -177.2 | 0 | 112.8 | L907 R909 K914 L915 | L907-K911 WeakPolarHBondContact O-CG 3.18Å; L907-K911 PolarHBondContact O-N 3.34Å; R909-K911 PolarHBondContact O-N 3.45Å; K911-K914 PolarHBondContact O-N 2.95Å; K911-L915 PolarHBondContact O-N 2.88Å |
| 912 | R | 83.8 | Confident | 85.8 | Confident | 181 Ų | 181 | 115.3 Ų | 115.3 | 68% | 0.683 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.2 | -40.3 | 179.9 | -141.3 | 169.4 | -169.1 | -94.7 | 2.6 | 111.6 | E908 R909 L915 N916 | E908-R912 WeakPolarHBondContact O-CB 3.38Å; E908-R912 PolarHBondContact O-N 3.11Å; E908-R912 VanDerWaalsContact O-N 3.12Å; R909-R912 WeakPolarHBondContact O-CA 3.3Å; R909-R912 WeakPolarHBondContact O-CB 3.49Å; R909-R912 PolarHBondContact O-N 3.46Å; R912-L915 PolarHBondContact O-N 3.22Å; R912-N916 WeakPolarHBondContact O-CB 3.36Å; R912-N916 PolarHBondContact O-N 3.36Å; R912-N916 PolarHBondContact O-OD1 3.37Å; R912-N916 VanDerWaalsContact O-OD1 3.13Å |
| 913 | E | 87.8 | Confident | 85.5 | Confident | 110 Ų | 110 | 117.7 Ų | 117.7 | 51% | 0.514 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 174.8 | -71.9 | 168.9 | -157 | 0 | 0 | 112.3 | R909 R917 | R909-E913 PolarHBondContact O-N 3.38Å; E913-R917 WeakPolarHBondContact O-CG 3.34Å; E913-R917 PolarHBondContact O-N 2.95Å; E913-R917 VanDerWaalsContact O-N 3.09Å |
| 914 | K | 87.1 | Confident | 85.3 | Confident | 143 Ų | 143 | 117.2 Ų | 117.2 | 62% | 0.622 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.8 | -48.7 | 172.3 | -76.5 | 178.2 | 178.8 | -177 | 0 | 112.3 | E910 K911 N916 R917 E918 | E910-K914 WeakPolarHBondContact O-CG 3.27Å; E910-K914 PolarHBondContact O-N 3.47Å; K911-K914 PolarHBondContact O-N 2.95Å; K914-N916 VanDerWaalsContact C-N 3.32Å; K914-N916 PolarHBondContact O-N 3.28Å; K914-R917 PolarHBondContact O-N 3.15Å; K914-R917 VanDerWaalsContact O-N 3.14Å; K914-E918 PolarHBondContact O-N 2.85Å |
| 915 | L | 84.7 | Confident | 85.1 | Confident | 89 Ų | 89 | 114.5 Ų | 114.5 | 47% | 0.466 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 178.3 | -175.1 | 68.3 | 0 | 0 | 0 | 111.9 | K911 R912 R917 E918 Q919 | K911-L915 PolarHBondContact O-N 2.88Å; R912-L915 PolarHBondContact O-N 3.22Å; L915-R917 PolarHBondContact O-N 3.46Å; L915-E918 PolarHBondContact O-N 3.08Å; L915-Q919 WeakPolarHBondContact O-CG 3.3Å; L915-Q919 PolarHBondContact O-N 2.77Å |
| 916 | N | 86.1 | Confident | 84.9 | Confident | 87 Ų | 87 | 116.3 Ų | 116.3 | 47% | 0.465 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.3 | -84.4 | 46.1 | 0 | 0 | 0 | 112 | R912 K914 Q919 E920 | R912-N916 WeakPolarHBondContact O-CB 3.36Å; R912-N916 PolarHBondContact O-N 3.36Å; R912-N916 PolarHBondContact O-OD1 3.37Å; R912-N916 VanDerWaalsContact O-OD1 3.13Å; K914-N916 VanDerWaalsContact C-N 3.32Å; K914-N916 PolarHBondContact O-N 3.28Å; N916-Q919 PolarHBondContact O-N 2.98Å; N916-E920 WeakPolarHBondContact O-CB 3.43Å; N916-E920 PolarHBondContact O-N 3.35Å |
| 917 | R | 85.3 | Confident | 84.5 | Confident | 176 Ų | 176 | 114.8 Ų | 114.8 | 66% | 0.664 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.3 | -37.7 | 176.5 | -73.5 | 178.1 | -177.3 | -174.7 | 2.6 | 112.7 | E913 K914 L915 E920 L921 | E913-R917 WeakPolarHBondContact O-CG 3.34Å; E913-R917 PolarHBondContact O-N 2.95Å; E913-R917 VanDerWaalsContact O-N 3.09Å; K914-R917 PolarHBondContact O-N 3.15Å; K914-R917 VanDerWaalsContact O-N 3.14Å; L915-R917 PolarHBondContact O-N 3.46Å; R917-E920 PolarHBondContact O-N 3.48Å; R917-L921 WeakPolarHBondContact O-CB 3.3Å; R917-L921 VanDerWaalsContact O-CG 3.28Å; R917-L921 WeakPolarHBondContact O-CG 3.48Å; R917-L921 PolarHBondContact O-N 3.15Å |
| 918 | E | 83.4 | Confident | 83.9 | Confident | 130 Ų | 130 | 113.6 Ų | 113.6 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.1 | -39.6 | 174.1 | -71.4 | 173.2 | 161.8 | 0 | 0 | 111.5 | K914 L915 A922 | K914-E918 PolarHBondContact O-N 2.85Å; L915-E918 PolarHBondContact O-N 3.08Å; E918-A922 WeakPolarHBondContact O-CB 3.29Å; E918-A922 PolarHBondContact O-N 2.72Å |
| 919 | Q | 80.4 | Confident | 83.5 | Confident | 111 Ų | 111 | 114.7 Ų | 114.7 | 52% | 0.519 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 174 | -73.2 | 179.6 | -25.5 | 0 | 0 | 112.4 | L915 N916 L921 A922 E923 | L915-Q919 WeakPolarHBondContact O-CG 3.3Å; L915-Q919 PolarHBondContact O-N 2.77Å; N916-Q919 PolarHBondContact O-N 2.98Å; Q919-L921 VanDerWaalsContact C-N 3.33Å; Q919-L921 PolarHBondContact O-N 3.2Å; Q919-A922 PolarHBondContact O-N 3.03Å; Q919-A922 VanDerWaalsContact O-N 3.12Å; Q919-E923 PolarHBondContact O-N 3.33Å |
| 920 | E | 85.6 | Confident | 83 | Confident | 99 Ų | 99 | 116.1 Ų | 116.1 | 46% | 0.463 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 179 | -165.7 | -165.7 | 142.1 | 0 | 0 | 112.2 | N916 R917 K924 | N916-E920 WeakPolarHBondContact O-CB 3.43Å; N916-E920 PolarHBondContact O-N 3.35Å; R917-E920 PolarHBondContact O-N 3.48Å; E920-K924 HydrophobicContact CG-CD 4.42Å; E920-K924 WeakPolarHBondContact O-CB 3.29Å; E920-K924 VanDerWaalsContact O-CG 3.31Å; E920-K924 WeakPolarHBondContact O-CG 3.25Å; E920-K924 PolarHBondContact O-N 2.92Å; E920-K924 WeakPolarHBondContact OE1-CE 3.35Å; E920-K924 IonicContact OE1-NZ 3.71Å; E920-K924 PolarHBondContact OE1-NZ 3.09Å |
| 921 | L | 85.9 | Confident | 82.4 | Confident | 122 Ų | 122 | 117.1 Ų | 117.1 | 64% | 0.639 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.9 | -39.6 | 172.4 | -73 | 169.4 | 0 | 0 | 0 | 112 | R917 Q919 K924 A925 | R917-L921 WeakPolarHBondContact O-CB 3.3Å; R917-L921 VanDerWaalsContact O-CG 3.28Å; R917-L921 WeakPolarHBondContact O-CG 3.48Å; R917-L921 PolarHBondContact O-N 3.15Å; Q919-L921 VanDerWaalsContact C-N 3.33Å; Q919-L921 PolarHBondContact O-N 3.2Å; L921-K924 PolarHBondContact O-N 2.99Å; L921-A925 WeakPolarHBondContact O-CB 3.47Å; L921-A925 PolarHBondContact O-N 3.35Å |
| 922 | A | 81.6 | Confident | 81.9 | Confident | 49 Ų | 49 | 116.3 Ų | 116.3 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.6 | -35.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E918 Q919 K926 | E918-A922 WeakPolarHBondContact O-CB 3.29Å; E918-A922 PolarHBondContact O-N 2.72Å; Q919-A922 PolarHBondContact O-N 3.03Å; Q919-A922 VanDerWaalsContact O-N 3.12Å; A922-K926 WeakPolarHBondContact O-CG 3.34Å; A922-K926 PolarHBondContact O-N 3.48Å; A922-K926 VanDerWaalsContact O-N 3.14Å |
| 923 | E | 81.8 | Confident | 81.8 | Confident | 144 Ų | 144 | 111.3 Ų | 111.3 | 67% | 0.673 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70 | -40.9 | 172.7 | -72.4 | -169 | 151 | 0 | 0 | 111.8 | Q919 A925 K926 H927 | Q919-E923 PolarHBondContact O-N 3.33Å; E923-A925 VanDerWaalsContact C-N 3.35Å; E923-A925 PolarHBondContact O-N 3.16Å; E923-K926 PolarHBondContact O-N 3.2Å; E923-H927 WeakPolarHBondContact O-CB 3.44Å; E923-H927 PolarHBondContact O-N 2.76Å |
| 924 | K | 84.1 | Confident | 81.4 | Confident | 123 Ų | 123 | 110.7 Ų | 110.7 | 54% | 0.535 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 174.5 | -76.7 | 170.1 | 174.8 | 174.3 | 0 | 112.6 | E920 L921 H927 S928 | E920-K924 HydrophobicContact CG-CD 4.42Å; E920-K924 WeakPolarHBondContact O-CB 3.29Å; E920-K924 VanDerWaalsContact O-CG 3.31Å; E920-K924 WeakPolarHBondContact O-CG 3.25Å; E920-K924 PolarHBondContact O-N 2.92Å; E920-K924 WeakPolarHBondContact OE1-CE 3.35Å; E920-K924 IonicContact OE1-NZ 3.71Å; E920-K924 PolarHBondContact OE1-NZ 3.09Å; L921-K924 PolarHBondContact O-N 2.99Å; K924-H927 PolarHBondContact O-N 3.15Å; K924-S928 PolarHBondContact O-N 2.97Å |
| 925 | A | 82.3 | Confident | 81.2 | Confident | 56 Ų | 56 | 109.3 Ų | 109.3 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.7 | -53.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | L921 E923 H927 S928 E929 | L921-A925 WeakPolarHBondContact O-CB 3.47Å; L921-A925 PolarHBondContact O-N 3.35Å; E923-A925 VanDerWaalsContact C-N 3.35Å; E923-A925 PolarHBondContact O-N 3.16Å; A925-H927 VanDerWaalsContact C-N 3.32Å; A925-H927 PolarHBondContact O-N 2.7Å; A925-S928 WeakPolarHBondContact O-CB 3.5Å; A925-S928 PolarHBondContact O-N 3.3Å; A925-S928 VanDerWaalsContact O-N 3.1Å; A925-E929 PolarHBondContact O-N 3.42Å |
| 926 | K | 80.5 | Confident | 81 | Confident | 129 Ų | 129 | 109.9 Ų | 109.9 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.5 | -41.7 | 177 | -73.2 | 175.6 | 178.4 | -176.7 | 0 | 112.8 | A922 E923 S928 E929 Y930 | A922-K926 WeakPolarHBondContact O-CG 3.34Å; A922-K926 PolarHBondContact O-N 3.48Å; A922-K926 VanDerWaalsContact O-N 3.14Å; E923-K926 PolarHBondContact O-N 3.2Å; K926-S928 VanDerWaalsContact C-N 3.27Å; K926-S928 PolarHBondContact O-N 3.19Å; K926-E929 PolarHBondContact O-N 2.94Å; K926-Y930 WeakPolarHBondContact O-CD2 3.39Å; K926-Y930 PolarHBondContact O-N 2.82Å |
| 927 | H | 79.4 | Confident | 80.8 | Confident | 122 Ų | 122 | 110.2 Ų | 110.2 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.2 | -34.6 | 178.9 | -167.8 | 38 | 0 | 0 | 0 | 111.6 | E923 K924 A925 Y930 L931 | E923-H927 WeakPolarHBondContact O-CB 3.44Å; E923-H927 PolarHBondContact O-N 2.76Å; K924-H927 PolarHBondContact O-N 3.15Å; A925-H927 VanDerWaalsContact C-N 3.32Å; A925-H927 PolarHBondContact O-N 2.7Å; H927-Y930 PolarHBondContact O-N 3.48Å; H927-L931 VanDerWaalsContact O-CG 3.3Å; H927-L931 WeakPolarHBondContact O-CG 3.38Å; H927-L931 PolarHBondContact O-N 2.8Å |
| 928 | S | 73.9 | Confident | 80.4 | Confident | 61 Ų | 61 | 107.2 Ų | 107.2 | 43% | 0.427 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.7 | -35.2 | 171.8 | -167.8 | 0 | 0 | 0 | 0 | 113.2 | K924 A925 K926 Q932 | K924-S928 PolarHBondContact O-N 2.97Å; A925-S928 WeakPolarHBondContact O-CB 3.5Å; A925-S928 PolarHBondContact O-N 3.3Å; A925-S928 VanDerWaalsContact O-N 3.1Å; K926-S928 VanDerWaalsContact C-N 3.27Å; K926-S928 PolarHBondContact O-N 3.19Å; S928-Q932 WeakPolarHBondContact O-CG 3.45Å; S928-Q932 PolarHBondContact O-N 3Å |
| 929 | E | 78.8 | Confident | 80.4 | Confident | 123 Ų | 123 | 105.2 Ų | 105.2 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67 | -45.6 | 172.8 | -68 | 176.8 | 128.4 | 0 | 0 | 111.1 | A925 K926 L931 Q932 V933 | A925-E929 PolarHBondContact O-N 3.42Å; K926-E929 PolarHBondContact O-N 2.94Å; E929-L931 VanDerWaalsContact C-N 3.35Å; E929-L931 PolarHBondContact O-N 2.91Å; E929-Q932 PolarHBondContact O-N 2.93Å; E929-V933 WeakPolarHBondContact O-CG2 3.33Å; E929-V933 PolarHBondContact O-N 2.9Å |
| 930 | Y | 73.9 | Confident | 80.5 | Confident | 164 Ų | 164 | 107 Ų | 107 | 64% | 0.643 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58 | -44.2 | 176.4 | -93.6 | -77.6 | 0 | 0 | 0 | 112.5 | K926 H927 Q932 V933 D934 | K926-Y930 WeakPolarHBondContact O-CD2 3.39Å; K926-Y930 PolarHBondContact O-N 2.82Å; H927-Y930 PolarHBondContact O-N 3.48Å; Y930-Q932 VanDerWaalsContact C-N 3.34Å; Y930-Q932 PolarHBondContact O-N 2.98Å; Y930-V933 PolarHBondContact O-N 2.76Å; Y930-D934 PolarHBondContact O-N 3.47Å |
| 931 | L | 75.7 | Confident | 80.2 | Confident | 92 Ų | 92 | 104.7 Ų | 104.7 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 177.9 | -72.4 | 166.9 | 0 | 0 | 0 | 112.6 | H927 E929 D935 | H927-L931 VanDerWaalsContact O-CG 3.3Å; H927-L931 WeakPolarHBondContact O-CG 3.38Å; H927-L931 PolarHBondContact O-N 2.8Å; E929-L931 VanDerWaalsContact C-N 3.35Å; E929-L931 PolarHBondContact O-N 2.91Å; L931-D935 WeakPolarHBondContact O-CB 3.41Å; L931-D935 PolarHBondContact O-N 2.84Å |
| 932 | Q | 78.1 | Confident | 80.2 | Confident | 132 Ų | 132 | 104.5 Ų | 104.5 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.1 | -37.1 | 174.7 | -73.3 | 175 | 2.7 | 0 | 0 | 112.3 | S928 E929 Y930 E936 | S928-Q932 WeakPolarHBondContact O-CG 3.45Å; S928-Q932 PolarHBondContact O-N 3Å; E929-Q932 PolarHBondContact O-N 2.93Å; Y930-Q932 VanDerWaalsContact C-N 3.34Å; Y930-Q932 PolarHBondContact O-N 2.98Å; Q932-E936 PolarHBondContact O-N 3.25Å; Q932-E936 VanDerWaalsContact O-N 3.09Å |
| 933 | V | 82.6 | Confident | 80.4 | Confident | 76 Ų | 76 | 109.9 Ų | 109.9 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.5 | -42.3 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | E929 Y930 E936 I937 | E929-V933 WeakPolarHBondContact O-CG2 3.33Å; E929-V933 PolarHBondContact O-N 2.9Å; Y930-V933 PolarHBondContact O-N 2.76Å; V933-E936 PolarHBondContact O-N 3.42Å; V933-I937 HydrophobicContact CG1-CD1 3.8Å; V933-I937 HydrophobicContact CG1-CG1 4.47Å; V933-I937 VanDerWaalsContact O-CG1 3.27Å; V933-I937 WeakPolarHBondContact O-CG1 3.36Å; V933-I937 PolarHBondContact O-N 2.78Å |
| 934 | D | 79.2 | Confident | 80.3 | Confident | 96 Ų | 96 | 109.3 Ų | 109.3 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 176.3 | -80.9 | -18.8 | 0 | 0 | 0 | 111.9 | Y930 E936 I937 N938 | Y930-D934 PolarHBondContact O-N 3.47Å; D934-E936 VanDerWaalsContact C-N 3.35Å; D934-E936 PolarHBondContact O-N 3.43Å; D934-I937 PolarHBondContact O-N 3.28Å; D934-N938 WeakPolarHBondContact O-CB 3.38Å; D934-N938 PolarHBondContact O-N 2.93Å |
| 935 | D | 81.2 | Confident | 80 | Confident | 114 Ų | 114 | 109.1 Ų | 109.1 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.8 | -42.9 | 173 | -89.4 | -14.6 | 0 | 0 | 0 | 111.4 | L931 N938 E939 | L931-D935 WeakPolarHBondContact O-CB 3.41Å; L931-D935 PolarHBondContact O-N 2.84Å; D935-N938 PolarHBondContact O-N 3.16Å; D935-E939 PolarHBondContact O-N 2.97Å |
| 936 | E | 81.7 | Confident | 80.1 | Confident | 101 Ų | 101 | 110.7 Ų | 110.7 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 178.4 | -151.8 | -152.8 | 145 | 0 | 0 | 112.7 | Q932 V933 D934 N938 R940 | Q932-E936 PolarHBondContact O-N 3.25Å; Q932-E936 VanDerWaalsContact O-N 3.09Å; V933-E936 PolarHBondContact O-N 3.42Å; D934-E936 VanDerWaalsContact C-N 3.35Å; D934-E936 PolarHBondContact O-N 3.43Å; E936-N938 VanDerWaalsContact C-N 3.33Å; E936-R940 WeakPolarHBondContact O-CB 3.43Å; E936-R940 WeakPolarHBondContact O-CD 3.38Å; E936-R940 VanDerWaalsContact O-CG 3.23Å; E936-R940 WeakPolarHBondContact O-CG 3.09Å; E936-R940 PolarHBondContact O-N 2.87Å; E936-R940 IonicContact OE1-CZ 2.67Å; E936-R940 IonicContact OE1-NE 2.69Å; E936-R940 PolarHBondContact OE1-NE 2.86Å; E936-R940 IonicContact OE1-NH2 3.54Å; E936-R940 PolarHBondContact OE1-NH2 3.42Å |
| 937 | I | 80.9 | Confident | 80.2 | Confident | 95 Ų | 95 | 107 Ų | 107 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 174 | -71.9 | 166.9 | 0 | 0 | 0 | 110.3 | V933 D934 R940 A941 | V933-I937 HydrophobicContact CG1-CD1 3.8Å; V933-I937 HydrophobicContact CG1-CG1 4.47Å; V933-I937 VanDerWaalsContact O-CG1 3.27Å; V933-I937 WeakPolarHBondContact O-CG1 3.36Å; V933-I937 PolarHBondContact O-N 2.78Å; D934-I937 PolarHBondContact O-N 3.28Å; I937-R940 PolarHBondContact O-N 2.84Å; I937-A941 WeakPolarHBondContact O-CB 3.1Å; I937-A941 PolarHBondContact O-N 3.16Å |
| 938 | N | 77.8 | Confident | 80.3 | Confident | 113 Ų | 113 | 107.4 Ų | 107.4 | 60% | 0.604 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69 | -41.4 | -179.6 | -160.1 | 15.9 | 0 | 0 | 0 | 111.9 | D934 D935 E936 R940 A941 K942 | D934-N938 WeakPolarHBondContact O-CB 3.38Å; D934-N938 PolarHBondContact O-N 2.93Å; D935-N938 PolarHBondContact O-N 3.16Å; E936-N938 VanDerWaalsContact C-N 3.33Å; N938-R940 PolarHBondContact O-N 3.03Å; N938-A941 PolarHBondContact O-N 2.68Å; N938-K942 WeakPolarHBondContact O-CB 3.37Å; N938-K942 PolarHBondContact O-N 3.03Å |
| 939 | E | 82.8 | Confident | 80.6 | Confident | 87 Ų | 87 | 109.6 Ų | 109.6 | 41% | 0.407 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -55.1 | -49.5 | 168.7 | -104.9 | -75.5 | 128.8 | 0 | 0 | 111.8 | D935 A941 K942 R943 | D935-E939 PolarHBondContact O-N 2.97Å; E939-A941 PolarHBondContact O-N 3.38Å; E939-K942 PolarHBondContact O-N 3.44Å; E939-R943 WeakPolarHBondContact O-CG 3.37Å; E939-R943 PolarHBondContact O-N 3Å; E939-R943 IonicContact OE2-CZ 3.15Å; E939-R943 IonicContact OE2-NE 2.98Å; E939-R943 PolarHBondContact OE2-NE 2.82Å; E939-R943 IonicContact OE2-NH2 2.9Å; E939-R943 PolarHBondContact OE2-NH2 2.95Å |
| 940 | R | 82.1 | Confident | 80.7 | Confident | 149 Ų | 149 | 107.8 Ų | 107.8 | 56% | 0.562 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.2 | -40.6 | 178 | -71.9 | 167.3 | 177.2 | -135.8 | 8.9 | 112.1 | E936 I937 N938 Q944 | E936-R940 WeakPolarHBondContact O-CB 3.43Å; E936-R940 WeakPolarHBondContact O-CD 3.38Å; E936-R940 VanDerWaalsContact O-CG 3.23Å; E936-R940 WeakPolarHBondContact O-CG 3.09Å; E936-R940 PolarHBondContact O-N 2.87Å; E936-R940 IonicContact OE1-CZ 2.67Å; E936-R940 IonicContact OE1-NE 2.69Å; E936-R940 PolarHBondContact OE1-NE 2.86Å; E936-R940 IonicContact OE1-NH2 3.54Å; E936-R940 PolarHBondContact OE1-NH2 3.42Å; I937-R940 PolarHBondContact O-N 2.84Å; N938-R940 PolarHBondContact O-N 3.03Å; R940-Q944 WeakPolarHBondContact O-CG 3.44Å; R940-Q944 PolarHBondContact O-N 2.92Å; R940-Q944 VanDerWaalsContact O-N 3.11Å |
| 941 | A | 80.9 | Confident | 80.9 | Confident | 51 Ų | 51 | 105.3 Ų | 105.3 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I937 N938 E939 Q944 Q945 | I937-A941 WeakPolarHBondContact O-CB 3.1Å; I937-A941 PolarHBondContact O-N 3.16Å; N938-A941 PolarHBondContact O-N 2.68Å; E939-A941 PolarHBondContact O-N 3.38Å; A941-Q944 PolarHBondContact O-N 3.46Å; A941-Q945 PolarHBondContact O-N 3.12Å |
| 942 | K | 86.2 | Confident | 81.1 | Confident | 117 Ų | 117 | 106.2 Ų | 106.2 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 176.8 | -172.4 | 172.3 | -176.7 | -83.8 | 0 | 111.9 | N938 E939 Q944 Q945 E946 | N938-K942 WeakPolarHBondContact O-CB 3.37Å; N938-K942 PolarHBondContact O-N 3.03Å; E939-K942 PolarHBondContact O-N 3.44Å; K942-Q944 VanDerWaalsContact C-N 3.29Å; K942-Q944 PolarHBondContact O-N 2.86Å; K942-Q945 PolarHBondContact O-N 2.89Å; K942-E946 WeakPolarHBondContact CE-OE1 3.4Å; K942-E946 IonicContact NZ-OE1 2.78Å; K942-E946 PolarHBondContact NZ-OE1 3.27Å; K942-E946 WeakPolarHBondContact O-CG 3.48Å; K942-E946 PolarHBondContact O-N 2.85Å |
| 943 | R | 83.9 | Confident | 81.1 | Confident | 163 Ų | 163 | 108.5 Ų | 108.5 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.7 | -36.3 | 175.5 | -67.3 | 175.4 | -167.9 | -152.4 | 6.1 | 112.8 | E939 A947 | E939-R943 WeakPolarHBondContact O-CG 3.37Å; E939-R943 PolarHBondContact O-N 3Å; E939-R943 IonicContact OE2-CZ 3.15Å; E939-R943 IonicContact OE2-NE 2.98Å; E939-R943 PolarHBondContact OE2-NE 2.82Å; E939-R943 IonicContact OE2-NH2 2.9Å; E939-R943 PolarHBondContact OE2-NH2 2.95Å; R943-A947 WeakPolarHBondContact O-CB 3.32Å; R943-A947 PolarHBondContact O-N 2.83Å |
| 944 | Q | 79.9 | Confident | 80.7 | Confident | 131 Ų | 131 | 110.4 Ų | 110.4 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.6 | -33.3 | 174.2 | -75 | -175 | 7.6 | 0 | 0 | 113.1 | R940 A941 K942 K948 | R940-Q944 WeakPolarHBondContact O-CG 3.44Å; R940-Q944 PolarHBondContact O-N 2.92Å; R940-Q944 VanDerWaalsContact O-N 3.11Å; A941-Q944 PolarHBondContact O-N 3.46Å; K942-Q944 VanDerWaalsContact C-N 3.29Å; K942-Q944 PolarHBondContact O-N 2.86Å; Q944-K948 WeakPolarHBondContact O-CG 3.38Å; Q944-K948 PolarHBondContact O-N 2.64Å; Q944-K948 VanDerWaalsContact O-N 3.14Å |
| 945 | Q | 79.1 | Confident | 80.5 | Confident | 120 Ų | 120 | 110.5 Ų | 110.5 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73.2 | -44.4 | 176.7 | -173.4 | 168.4 | -26.8 | 0 | 0 | 111.4 | A941 K942 A947 K948 E949 | A941-Q945 PolarHBondContact O-N 3.12Å; K942-Q945 PolarHBondContact O-N 2.89Å; Q945-A947 VanDerWaalsContact C-N 3.3Å; Q945-A947 PolarHBondContact O-N 3.33Å; Q945-K948 WeakPolarHBondContact O-CB 3.26Å; Q945-K948 PolarHBondContact O-N 2.99Å; Q945-K948 VanDerWaalsContact O-N 3.13Å; Q945-E949 PolarHBondContact O-N 3.16Å |
| 946 | E | 83.1 | Confident | 80 | Confident | 88 Ų | 88 | 110.7 Ų | 110.7 | 41% | 0.411 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58 | -42.4 | 172.3 | -70.2 | 170.7 | -179.5 | 0 | 0 | 111.3 | K942 K948 E949 T950 | K942-E946 WeakPolarHBondContact CE-OE1 3.4Å; K942-E946 IonicContact NZ-OE1 2.78Å; K942-E946 PolarHBondContact NZ-OE1 3.27Å; K942-E946 WeakPolarHBondContact O-CG 3.48Å; K942-E946 PolarHBondContact O-N 2.85Å; E946-K948 PolarHBondContact O-N 3.02Å; E946-E949 PolarHBondContact O-N 3.38Å; E946-T950 WeakPolarHBondContact O-CG2 3.39Å; E946-T950 PolarHBondContact O-N 3.38Å; E946-T950 PolarHBondContact O-OG1 3.11Å |
| 947 | A | 83.1 | Confident | 79.3 | Confident | 51 Ų | 51 | 110.8 Ų | 110.8 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59 | -44.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | R943 Q945 T950 Q951 | R943-A947 WeakPolarHBondContact O-CB 3.32Å; R943-A947 PolarHBondContact O-N 2.83Å; Q945-A947 VanDerWaalsContact C-N 3.3Å; Q945-A947 PolarHBondContact O-N 3.33Å; A947-T950 PolarHBondContact O-N 2.97Å; A947-T950 PolarHBondContact O-OG1 2.92Å; A947-Q951 PolarHBondContact O-N 2.86Å |
| 948 | K | 81.2 | Confident | 78.4 | Confident | 131 Ų | 131 | 112 Ų | 112 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.1 | -45.8 | 175.8 | -74.8 | 173.6 | -179.9 | 178.2 | 0 | 112.3 | Q944 Q945 E946 T950 Q951 E952 | Q944-K948 WeakPolarHBondContact O-CG 3.38Å; Q944-K948 PolarHBondContact O-N 2.64Å; Q944-K948 VanDerWaalsContact O-N 3.14Å; Q945-K948 WeakPolarHBondContact O-CB 3.26Å; Q945-K948 PolarHBondContact O-N 2.99Å; Q945-K948 VanDerWaalsContact O-N 3.13Å; E946-K948 PolarHBondContact O-N 3.02Å; K948-T950 VanDerWaalsContact C-N 3.28Å; K948-T950 PolarHBondContact O-N 3.47Å; K948-Q951 PolarHBondContact O-N 2.75Å; K948-Q951 VanDerWaalsContact O-N 3.08Å; K948-E952 PolarHBondContact O-N 3.28Å |
| 949 | E | 81.8 | Confident | 77.5 | Confident | 107 Ų | 107 | 114.2 Ų | 114.2 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62 | -35.6 | 177.2 | -71.2 | -176.1 | -167.8 | 0 | 0 | 112.2 | Q945 E946 R953 | Q945-E949 PolarHBondContact O-N 3.16Å; E946-E949 PolarHBondContact O-N 3.38Å; E949-R953 WeakPolarHBondContact O-CB 3.26Å; E949-R953 WeakPolarHBondContact O-CG 3.44Å; E949-R953 PolarHBondContact O-N 3.28Å |
| 950 | T | 79.8 | Confident | 76.5 | Confident | 85 Ų | 85 | 116 Ų | 116 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.2 | -35.7 | 172.5 | 61.6 | 0 | 0 | 0 | 0 | 113 | E946 A947 K948 L954 | E946-T950 WeakPolarHBondContact O-CG2 3.39Å; E946-T950 PolarHBondContact O-N 3.38Å; E946-T950 PolarHBondContact O-OG1 3.11Å; A947-T950 PolarHBondContact O-N 2.97Å; A947-T950 PolarHBondContact O-OG1 2.92Å; K948-T950 VanDerWaalsContact C-N 3.28Å; K948-T950 PolarHBondContact O-N 3.47Å; T950-L954 WeakPolarHBondContact O-CG 3.5Å; T950-L954 PolarHBondContact O-N 3.35Å |
| 951 | Q | 77.1 | Confident | 75.2 | Confident | 113 Ų | 113 | 114.7 Ų | 114.7 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.5 | -46.7 | 174.6 | -174.1 | -179 | -31.5 | 0 | 0 | 111.3 | A947 K948 R953 L954 E955 | A947-Q951 PolarHBondContact O-N 2.86Å; K948-Q951 PolarHBondContact O-N 2.75Å; K948-Q951 VanDerWaalsContact O-N 3.08Å; Q951-R953 VanDerWaalsContact C-N 3.28Å; Q951-R953 PolarHBondContact O-N 3.49Å; Q951-L954 WeakPolarHBondContact O-CB 3.33Å; Q951-L954 PolarHBondContact O-N 2.87Å; Q951-E955 WeakPolarHBondContact CG-OE1 3.45Å; Q951-E955 PolarHBondContact NE2-OE1 3.23Å; Q951-E955 WeakPolarHBondContact O-CG 3.41Å; Q951-E955 PolarHBondContact O-N 3.12Å |
| 952 | E | 81.5 | Confident | 73.4 | Confident | 110 Ų | 110 | 118.1 Ų | 118.1 | 51% | 0.514 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.6 | -36.8 | 176.4 | -71.8 | -179.3 | -166.4 | 0 | 0 | 111.8 | K948 E955 Q956 | K948-E952 PolarHBondContact O-N 3.28Å; E952-E955 PolarHBondContact O-N 2.89Å; E952-Q956 WeakPolarHBondContact O-CB 3.48Å; E952-Q956 VanDerWaalsContact O-CG 3.25Å; E952-Q956 WeakPolarHBondContact O-CG 3.43Å; E952-Q956 PolarHBondContact O-N 3.28Å |
| 953 | R | 77.6 | Confident | 71.6 | Confident | 180 Ų | 180 | 118.2 Ų | 118.2 | 68% | 0.679 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.4 | -38.3 | 171.1 | -80.8 | -172.4 | 178 | -155.9 | 3.9 | 113.4 | E949 Q951 L957 | E949-R953 WeakPolarHBondContact O-CB 3.26Å; E949-R953 WeakPolarHBondContact O-CG 3.44Å; E949-R953 PolarHBondContact O-N 3.28Å; Q951-R953 VanDerWaalsContact C-N 3.28Å; Q951-R953 PolarHBondContact O-N 3.49Å; R953-L957 WeakPolarHBondContact O-CB 3.45Å; R953-L957 WeakPolarHBondContact O-CG 3.34Å; R953-L957 PolarHBondContact O-N 2.88Å |
| 954 | L | 74.3 | Confident | 69.5 | Low | 116 Ų | 116 | 122.1 Ų | 122.1 | 61% | 0.607 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.6 | -41.5 | 175.5 | -75.9 | 165.5 | 0 | 0 | 0 | 111.1 | T950 Q951 L957 Q958 | T950-L954 WeakPolarHBondContact O-CG 3.5Å; T950-L954 PolarHBondContact O-N 3.35Å; Q951-L954 WeakPolarHBondContact O-CB 3.33Å; Q951-L954 PolarHBondContact O-N 2.87Å; L954-L957 PolarHBondContact O-N 2.93Å; L954-Q958 WeakPolarHBondContact O-CB 3.34Å; L954-Q958 PolarHBondContact O-N 3.45Å |
| 955 | E | 74.8 | Confident | 67.3 | Low | 98 Ų | 98 | 123.9 Ų | 123.9 | 46% | 0.458 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.3 | -40 | 175.6 | -70 | 176.2 | -160.6 | 0 | 0 | 111.9 | Q951 E952 Q958 Q959 | Q951-E955 WeakPolarHBondContact CG-OE1 3.45Å; Q951-E955 PolarHBondContact NE2-OE1 3.23Å; Q951-E955 WeakPolarHBondContact O-CG 3.41Å; Q951-E955 PolarHBondContact O-N 3.12Å; E952-E955 PolarHBondContact O-N 2.89Å; E955-Q958 PolarHBondContact O-N 3.32Å; E955-Q959 WeakPolarHBondContact O-CG 3.4Å; E955-Q959 PolarHBondContact O-N 2.73Å |
| 956 | Q | 70.9 | Confident | 65.1 | Low | 119 Ų | 119 | 122.2 Ų | 122.2 | 56% | 0.556 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.1 | -40.3 | 172.4 | -73.3 | 172.5 | 30.4 | 0 | 0 | 112.6 | E952 Q959 V960 | E952-Q956 WeakPolarHBondContact O-CB 3.48Å; E952-Q956 VanDerWaalsContact O-CG 3.25Å; E952-Q956 WeakPolarHBondContact O-CG 3.43Å; E952-Q956 PolarHBondContact O-N 3.28Å; Q956-Q959 PolarHBondContact O-N 2.96Å; Q956-V960 WeakPolarHBondContact O-CG2 3.02Å; Q956-V960 PolarHBondContact O-N 3.11Å |
| 957 | L | 65.9 | Low | 62.7 | Low | 103 Ų | 103 | 128.3 Ų | 128.3 | 54% | 0.539 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.7 | -39.9 | 174 | -81 | 165.4 | 0 | 0 | 0 | 111.9 | R953 L954 V960 L961 | R953-L957 WeakPolarHBondContact O-CB 3.45Å; R953-L957 WeakPolarHBondContact O-CG 3.34Å; R953-L957 PolarHBondContact O-N 2.88Å; L954-L957 PolarHBondContact O-N 2.93Å; L957-V960 PolarHBondContact O-N 3.09Å; L957-L961 PolarHBondContact O-N 2.99Å |
| 958 | Q | 63 | Low | 60.2 | Low | 119 Ų | 119 | 128.8 Ų | 128.8 | 56% | 0.556 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -62 | -44.1 | 175.7 | -165.9 | 68.7 | 36.1 | 0 | 0 | 111.1 | L954 E955 V960 L961 | L954-Q958 WeakPolarHBondContact O-CB 3.34Å; L954-Q958 PolarHBondContact O-N 3.45Å; E955-Q958 PolarHBondContact O-N 3.32Å; Q958-V960 PolarHBondContact O-N 2.89Å; Q958-L961 PolarHBondContact O-N 3.34Å; Q958-L961 VanDerWaalsContact O-N 3.1Å |
| 959 | Q | 59.3 | Low | 57.7 | Low | 160 Ų | 160 | 130.4 Ų | 130.4 | 75% | 0.748 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -63 | -23.7 | 176 | -73.3 | -178.2 | 19.2 | 0 | 0 | 114.1 | E955 Q956 | E955-Q959 WeakPolarHBondContact O-CG 3.4Å; E955-Q959 PolarHBondContact O-N 2.73Å; Q956-Q959 PolarHBondContact O-N 2.96Å |
| 960 | V | 60.4 | Low | 55.3 | Low | 124 Ų | 124 | 134.2 Ų | 134.2 | 75% | 0.752 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -84.9 | -16.9 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 112.5 | Q956 L957 Q958 | Q956-V960 WeakPolarHBondContact O-CG2 3.02Å; Q956-V960 PolarHBondContact O-N 3.11Å; L957-V960 PolarHBondContact O-N 3.09Å; Q958-V960 PolarHBondContact O-N 2.89Å |
| 961 | L | 56.2 | Low | 53 | Low | 122 Ų | 122 | 133.5 Ų | 133.5 | 64% | 0.639 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -99.9 | -3 | -169.1 | -90.5 | 163.9 | 0 | 0 | 0 | 116.3 | L957 Q958 P963 | L957-L961 PolarHBondContact O-N 2.99Å; Q958-L961 PolarHBondContact O-N 3.34Å; Q958-L961 VanDerWaalsContact O-N 3.1Å; L961-P963 VanDerWaalsContact C-CD 3.47Å; L961-P963 WeakPolarHBondContact O-CD 3.29Å |
| 962 | D | 43.4 | Very low | 50.8 | Low | 124 Ų | 124 | 137 Ų | 137 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | trans | -105.1 | 84.3 | -179.5 | -94 | -50.1 | 0 | 0 | 0 | 113.9 | R964 | D962-R964 VanDerWaalsContact C-N 3.32Å; D962-R964 PolarHBondContact O-N 3.39Å | ||
| 963 | P | 47.2 | Very low | 48.5 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | trans | -76.7 | 79 | 174.3 | 33.2 | -36.6 | 0 | 0 | 0 | 112.3 | L961 | L961-P963 VanDerWaalsContact C-CD 3.47Å; L961-P963 WeakPolarHBondContact O-CD 3.29Å | ||
| 964 | R | 41 | Very low | 46.2 | Very low | 246 Ų | 246 | 134.1 Ų | 134.1 | 93% | 0.928 | 72% | 0.723 | S | S | * | * | trans | 43.7 | 87.1 | 143.2 | -165.7 | -170.5 | -158.3 | 174.2 | 8.4 | 116.3 | D962 | D962-R964 VanDerWaalsContact C-N 3.32Å; D962-R964 PolarHBondContact O-N 3.39Å | ||
| 965 | N | 32.8 | Very low | 44.1 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 89% | 0.893 | 73% | 0.73 | S | S | * | * | trans | -130.2 | 148.5 | 160.4 | -155.3 | -1.6 | 0 | 0 | 0 | 110.7 | ||||
| 966 | A | 33.7 | Very low | 41.8 | Very low | 86 Ų | 86 | 138.4 Ų | 138.4 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | -141.1 | 120 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 967 | K | 31.4 | Very low | 39.6 | Very low | 216 Ų | 216 | 136.9 Ų | 136.9 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | trans | 178.3 | 149.3 | 156.7 | -109.3 | 170.5 | -179.5 | -175.9 | 0 | 112.9 | ||||
| 968 | G | 30.3 | Very low | 37.7 | Very low | 61 Ų | 61 | 135.6 Ų | 135.6 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | 85.5 | 124.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 969 | D | 28.6 | Very low | 36.1 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | cis | 57.7 | 128.9 | 40.4 | -57.9 | -55.1 | 0 | 0 | 0 | 112.3 | ||||
| 970 | E | 33.2 | Very low | 34.8 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | cis | -136 | 159.5 | 23.2 | -66.3 | 178 | 121.6 | 0 | 0 | 114.9 | ||||
| 971 | G | 31.4 | Very low | 33.5 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | 64.5 | 96.6 | 119.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 972 | E | 30.3 | Very low | 32.3 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | 46 | 158 | 124 | -85.6 | -158.5 | 104.3 | 0 | 0 | 124.8 | |||||
| 973 | A | 33.1 | Very low | 31.8 | Very low | 86 Ų | 86 | 142.5 Ų | 142.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 70.7 | 147.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 974 | L | 28.3 | Very low | 31.1 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | cis | -174.7 | 166.3 | -32.1 | -117.1 | 162 | 0 | 0 | 0 | 107.1 | ||||
| 975 | K | 30.2 | Very low | 30.8 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 70.2 | 97.4 | 156.6 | -74.1 | 169.6 | -178.4 | 174 | 0 | 120.2 | ||||
| 976 | T | 26.8 | Very low | 30.6 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | 55.4 | 94.4 | 120.5 | 58.7 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 977 | G | 24.5 | Very low | 30.5 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | 42 | 124.2 | 116.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 978 | G | 27.2 | Very low | 30.4 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -177 | 82.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 979 | R | 29.1 | Very low | 30.3 | Very low | 225 Ų | 225 | 137.2 Ų | 137.2 | 85% | 0.849 | 77% | 0.767 | S | S | * | * | trans | 37.3 | 126.9 | 143 | -86.4 | -175.6 | -74.1 | 176.9 | -4.2 | 122.9 | ||||
| 980 | D | 31.2 | Very low | 30.1 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | 79.6 | 159.3 | 130 | -55.1 | -25.3 | 0 | 0 | 0 | 121.9 | |||||
| 981 | L | 34.6 | Very low | 30.5 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | 76.4 | 127.4 | -174.6 | -51.3 | 175.2 | 0 | 0 | 0 | 113.9 | ||||
| 982 | K | 30.3 | Very low | 30.5 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | cis | -164.5 | 163.4 | -0.6 | -102.3 | -164.6 | 174.1 | -141.6 | 0 | 108.3 | ||||
| 983 | E | 33.2 | Very low | 30.6 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 51% | 0.505 | 76% | 0.763 | S | S | . | * | cis | -166.2 | 135.4 | -12.4 | 173 | 173.3 | 147.5 | 0 | 0 | 110.4 | ||||
| 984 | K | 31.1 | Very low | 30.3 | Very low | 181 Ų | 181 | 130.7 Ų | 130.7 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | trans | 67.5 | 157.5 | 162.5 | -75.4 | 167.2 | -177.4 | 152.7 | 0 | 121 | ||||
| 985 | A | 34.9 | Very low | 30.3 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 60% | 0.603 | 77% | 0.774 | S | S | * | * | cis | 178.7 | 163.4 | -31.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 986 | S | 29.1 | Very low | 30.5 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 60.6 | 145.6 | 140.2 | 55 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 987 | S | 30.7 | Very low | 31.2 | Very low | 89 Ų | 89 | 126.9 Ų | 126.9 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | cis | -173.7 | -179.9 | -4.4 | 39.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 988 | E | 29.4 | Very low | 31.4 | Very low | 165 Ų | 165 | 126.1 Ų | 126.1 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | trans | 78.4 | 113.4 | 150.8 | -77.9 | 150.1 | 112.3 | 0 | 0 | 121.7 | ||||
| 989 | D | 28.7 | Very low | 31.5 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | 21.5 | 128.8 | 126.5 | -63.1 | -59.3 | 0 | 0 | 0 | 120.7 | |||||
| 990 | G | 25.8 | Very low | 31.5 | Very low | 70 Ų | 70 | 125.1 Ų | 125.1 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | 154.6 | 145.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 991 | P | 40.5 | Very low | 31.9 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | trans | -85.4 | 154.3 | -163.5 | 34.5 | -36.9 | 0 | 0 | 0 | 113.6 | ||||
| 992 | G | 31.5 | Very low | 31.7 | Very low | 78 Ų | 78 | 127 Ų | 127 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -177.3 | 148.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 993 | A | 31.6 | Very low | 31.8 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -175.3 | 121.8 | 138.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 994 | D | 26.9 | Very low | 31.9 | Very low | 169 Ų | 169 | 131.1 Ų | 131.1 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | -144.7 | 130.1 | 171.7 | -100.7 | -47.3 | 0 | 0 | 0 | 110 | ||||
| 995 | A | 29.2 | Very low | 32 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | 46.1 | 105.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 996 | D | 33.8 | Very low | 32.2 | Very low | 150 Ų | 150 | 128.7 Ų | 128.7 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | 36.9 | 138.4 | 112.7 | -149 | 42.7 | 0 | 0 | 0 | 121.5 | |||||
| 997 | P | 41 | Very low | 32 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | -145.6 | 163.9 | 73.5 | 34.9 | -13.1 | 0 | 0 | 0 | 119 | |||||
| 998 | G | 29.1 | Very low | 32.2 | Very low | 72 Ų | 72 | 137.1 Ų | 137.1 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | -85.8 | -160.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 999 | A | 29.1 | Very low | 32.7 | Very low | 100 Ų | 100 | 136 Ų | 136 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | cis | -149.9 | -162.3 | -0.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1000 | E | 30.8 | Very low | 32.7 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | cis | -150.6 | -151.7 | 10.1 | -137.8 | -170 | 93 | 0 | 0 | 107.9 | ||||
| 1001 | E | 37.6 | Very low | 33.1 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 60% | 0.603 | 83% | 0.828 | S | S | * | * | cis | -144.2 | -78.9 | 9.6 | -172 | -131.9 | 167.4 | 0 | 0 | 113.3 | ||||
| 1002 | R | 32.4 | Very low | 32.9 | Very low | 204 Ų | 204 | 141.4 Ų | 141.4 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | -135.9 | 149.8 | -160.8 | -96.6 | -169.9 | 179.4 | 118.7 | -8 | 118.8 | ||||
| 1003 | L | 31.7 | Very low | 32.5 | Very low | 173 Ų | 173 | 146.3 Ų | 146.3 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -144.1 | 173.4 | 147.8 | -118.7 | 171.9 | 0 | 0 | 0 | 110.2 | ||||
| 1004 | Q | 35.8 | Very low | 32.4 | Very low | 190 Ų | 190 | 144.9 Ų | 144.9 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -140.7 | 120.1 | -163.2 | -160.5 | 172.1 | 36.4 | 0 | 0 | 113.1 | ||||
| 1005 | G | 33 | Very low | 32.7 | Very low | 76 Ų | 76 | 146.1 Ų | 146.1 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | -168.9 | 145.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1006 | S | 39.1 | Very low | 32.8 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 90% | 0.895 | 83% | 0.827 | S | S | * | * | trans | -105.1 | 152.2 | -175.8 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1007 | H | 25.2 | Very low | 32.6 | Very low | 189 Ų | 189 | 148.5 Ų | 148.5 | 88% | 0.875 | 83% | 0.826 | S | S | * | * | S | Bend | trans | 81.8 | 156.5 | -175.6 | -134.6 | -98.2 | 0 | 0 | 0 | 114.6 | ||
| 1008 | E | 33.3 | Very low | 32.1 | Very low | 185 Ų | 185 | 149.9 Ų | 149.9 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | trans | 63.8 | 142.3 | -164.6 | -65.5 | -172.2 | 74.7 | 0 | 0 | 115.6 | ||||
| 1009 | T | 39.8 | Very low | 32.2 | Very low | 142 Ų | 142 | 157.7 Ų | 157.7 | 87% | 0.871 | 83% | 0.833 | S | S | * | * | trans | -148.4 | 104.9 | -156.6 | 50.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1010 | A | 30.3 | Very low | 32.2 | Very low | 98 Ų | 98 | 162.9 Ų | 162.9 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | trans | -137.4 | 119.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1011 | R | 32.6 | Very low | 32.1 | Very low | 236 Ų | 236 | 165.2 Ų | 165.2 | 89% | 0.891 | 83% | 0.833 | S | S | * | * | trans | 46.6 | 107.4 | 130.2 | -168.1 | -176 | -156.8 | 156.9 | 1.5 | 118 | ||||
| 1012 | D | 37 | Very low | 31.8 | Very low | 155 Ų | 155 | 167.9 Ų | 167.9 | 83% | 0.829 | 84% | 0.842 | S | S | * | * | -163.3 | -174.8 | 113.6 | -135 | -15.6 | 0 | 0 | 0 | 113.6 | |||||
| 1013 | Q | 23.4 | Very low | 31.7 | Very low | 182 Ų | 182 | 169 Ų | 169 | 85% | 0.85 | 85% | 0.847 | S | S | * | * | trans | 85.3 | 104.3 | 171.5 | -57.1 | -175.7 | 0.6 | 0 | 0 | 118.5 | ||||
| 1014 | G | 28.8 | Very low | 31.6 | Very low | 70 Ų | 70 | 164.7 Ų | 164.7 | 72% | 0.722 | 84% | 0.835 | S | S | * | * | -92.7 | -178.4 | 128.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1015 | E | 34.2 | Very low | 31.3 | Very low | 194 Ų | 194 | 164.3 Ų | 164.3 | 91% | 0.907 | 84% | 0.839 | S | S | * | * | cis | -157.6 | 107.4 | -4.6 | -127.7 | -170.8 | 138.6 | 0 | 0 | 109.7 | ||||
| 1016 | T | 30 | Very low | 30.9 | Very low | 147 Ų | 147 | 164 Ų | 164 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -146.8 | 151 | 166.3 | 51.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1017 | D | 30.2 | Very low | 31.1 | Very low | 147 Ų | 147 | 164.5 Ų | 164.5 | 79% | 0.786 | 84% | 0.835 | S | S | * | * | cis | -143.2 | 167.8 | 31.6 | 179.5 | 31.8 | 0 | 0 | 0 | 113 | ||||
| 1018 | L | 31.7 | Very low | 31.2 | Very low | 153 Ų | 153 | 158.8 Ų | 158.8 | 80% | 0.801 | 83% | 0.828 | S | S | * | * | trans | -102.4 | 105.2 | -166.5 | -76.5 | 165 | 0 | 0 | 0 | 114.9 | ||||
| 1019 | R | 30.8 | Very low | 30.9 | Very low | 236 Ų | 236 | 159.2 Ų | 159.2 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | trans | -135.3 | 78.6 | 159.3 | -95.2 | 170.8 | -157.8 | -150.2 | 3.7 | 115.6 | ||||
| 1020 | R | 29.1 | Very low | 30.3 | Very low | 209 Ų | 209 | 157 Ų | 157 | 79% | 0.789 | 83% | 0.826 | S | S | * | * | 32.3 | 118.9 | 110.7 | -174.9 | -175.6 | -65.8 | -147 | -0.3 | 114.6 | |||||
| 1021 | R | 28.6 | Very low | 30.2 | Very low | 226 Ų | 226 | 157.3 Ų | 157.3 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | -167.1 | 161.3 | 57.8 | -144 | 164.8 | -163.5 | 168.6 | 0.9 | 113.9 | |||||
| 1022 | K | 31 | Very low | 29.9 | Very low | 186 Ų | 186 | 149.5 Ų | 149.5 | 81% | 0.809 | 82% | 0.821 | S | S | * | * | trans | -75.9 | 148.7 | 172 | -95.7 | 174 | 174.3 | 167 | 0 | 113.7 | ||||
| 1023 | R | 30.4 | Very low | 30.3 | Very low | 228 Ų | 228 | 148 Ų | 148 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | 69.5 | 114.9 | 138.8 | -175.6 | -156.7 | -67.2 | 170.5 | -5.2 | 119.3 | ||||
| 1024 | A | 30.2 | Very low | 31.2 | Very low | 81 Ų | 81 | 145.6 Ų | 145.6 | 67% | 0.669 | 82% | 0.82 | S | S | * | * | 170 | 138.8 | 112.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1025 | L | 29.4 | Very low | 31.2 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 95% | 0.953 | 83% | 0.825 | S | S | * | * | trans | 65.3 | 149.5 | 155.1 | -62.1 | 163.3 | 0 | 0 | 0 | 120.2 | ||||
| 1026 | G | 23.5 | Very low | 30.8 | Very low | 69 Ų | 69 | 144.4 Ų | 144.4 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | trans | -108.7 | -145.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1027 | P | 44 | Very low | 31.4 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 90% | 0.903 | 81% | 0.807 | S | S | * | * | cis | -130.7 | -166.4 | 3 | 43.8 | -27.5 | 0 | 0 | 0 | 113.5 | ||||
| 1028 | G | 27.1 | Very low | 31.3 | Very low | 70 Ų | 70 | 146.2 Ų | 146.2 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | 129.1 | 113.7 | 148.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1029 | E | 27.1 | Very low | 31 | Very low | 194 Ų | 194 | 142.6 Ų | 142.6 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | 13.9 | 137.5 | 146.7 | -78.7 | 171 | 88.9 | 0 | 0 | 125.8 | ||||
| 1030 | A | 27.2 | Very low | 30.9 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | 94 | 139.8 | 126.3 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1031 | A | 27.6 | Very low | 30.9 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | trans | 72.3 | 128.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1032 | G | 26.1 | Very low | 30.8 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | 110.8 | 106.9 | 130 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1033 | P | 45.1 | Very low | 30.5 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -80.6 | 179.5 | 156.3 | 38.3 | -36 | 0 | 0 | 0 | 110.6 | ||||
| 1034 | P | 44.1 | Very low | 30.3 | Very low | 131 Ų | 131 | 127 Ų | 127 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | cis | -143.3 | -175.5 | 20.1 | 44 | -24.5 | 0 | 0 | 0 | 117.3 | ||||
| 1035 | G | 27.2 | Very low | 30.1 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 161 | 103.2 | 161 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1036 | D | 26.2 | Very low | 30.1 | Very low | 158 Ų | 158 | 126.4 Ų | 126.4 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -106.2 | 169.9 | 163.7 | -152 | 36.3 | 0 | 0 | 0 | 107.3 | ||||
| 1037 | P | 43.5 | Very low | 30.4 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 58% | 0.584 | 82% | 0.823 | S | S | * | * | cis | -145.9 | -173.4 | 17.9 | 38.6 | -14.7 | 0 | 0 | 0 | 118.7 | ||||
| 1038 | R | 27.8 | Very low | 30.2 | Very low | 243 Ų | 243 | 130 Ų | 130 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | 83.4 | 136 | 166.8 | -44.7 | 171.4 | -164.1 | -169.2 | 4.5 | 115.9 | ||||
| 1039 | G | 25.9 | Very low | 30.2 | Very low | 76 Ų | 76 | 134.6 Ų | 134.6 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | cis | 160.7 | 161.1 | -11.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1040 | S | 28 | Very low | 30.3 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | 97.2 | 123.3 | 167.7 | -157.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 1041 | R | 28.8 | Very low | 30.5 | Very low | 247 Ų | 247 | 136.1 Ų | 136.1 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | trans | 50.7 | 120.3 | 151.6 | -72.9 | 178.9 | 166.3 | 176.8 | -4.6 | 121.7 | ||||
| 1042 | G | 26.1 | Very low | 30.9 | Very low | 82 Ų | 82 | 139.2 Ų | 139.2 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | 159.2 | 103.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1043 | V | 26.1 | Very low | 31.1 | Very low | 128 Ų | 128 | 139 Ų | 139 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -89.1 | 159.1 | 164.1 | -94.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1044 | H | 26.4 | Very low | 30.8 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | cis | -147.3 | 153.3 | 6.6 | -108.4 | -66.2 | 0 | 0 | 0 | 108.4 | ||||
| 1045 | G | 25.8 | Very low | 30.5 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | 178.5 | 126 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1046 | L | 27.8 | Very low | 31.1 | Very low | 178 Ų | 178 | 141.5 Ų | 141.5 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -86.9 | 147.4 | 155.8 | -61 | 155.5 | 0 | 0 | 0 | 105.6 | ||||
| 1047 | E | 30 | Very low | 31.8 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | cis | -151.9 | -170.8 | 32.1 | -104.6 | -168.5 | 125.8 | 0 | 0 | 108.7 | ||||
| 1048 | P | 41.2 | Very low | 31.6 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | cis | -121.5 | 158.6 | -5.3 | 37.7 | -24 | 0 | 0 | 0 | 114 | ||||
| 1049 | L | 26.3 | Very low | 32.4 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -106.1 | 105.7 | 163.9 | -145.2 | 178.8 | 0 | 0 | 0 | 108.7 | ||||
| 1050 | L | 29.2 | Very low | 33.2 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -134.4 | 146.2 | 175.3 | -119.6 | 167.2 | 0 | 0 | 0 | 109 | ||||
| 1051 | E | 31.7 | Very low | 33.8 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 65.3 | 69.2 | 176.6 | -53 | -159 | 133.1 | 0 | 0 | 117.6 | ||||
| 1052 | L | 35.5 | Very low | 34.6 | Very low | 171 Ų | 171 | 126.7 Ų | 126.7 | 90% | 0.895 | 74% | 0.735 | S | S | * | * | -167.5 | 157.2 | 113.7 | -116.9 | 65.4 | 0 | 0 | 0 | 107 | |||||
| 1053 | G | 29.7 | Very low | 35.4 | Very low | 65 Ų | 65 | 130 Ų | 130 | 67% | 0.67 | 73% | 0.729 | S | S | * | * | cis | 149.3 | 91.4 | 14.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | Q1055 | G1053-Q1055 PolarHBondContact O-N 3.4Š| ||
| 1054 | G | 40.1 | Very low | 36 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -79.6 | 110.2 | -158.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1055 | Q | 38.4 | Very low | 36.7 | Very low | 182 Ų | 182 | 128.5 Ų | 128.5 | 85% | 0.85 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -157.1 | -33.7 | 140.6 | -111.1 | 159.6 | 33.5 | 0 | 0 | 114.3 | G1053 L1057 | G1053-Q1055 PolarHBondContact O-N 3.4Å; Q1055-L1057 VanDerWaalsContact C-N 3.34Å; Q1055-L1057 PolarHBondContact O-N 3.06Å |
| 1056 | D | 39.1 | Very low | 37.5 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -5.4 | -176.6 | -71.4 | -58 | 0 | 0 | 0 | 116.3 | H1058 A1059 A1060 | D1056-H1058 PolarHBondContact O-N 2.84Å; D1056-A1059 PolarHBondContact O-N 3.33Å; D1056-A1059 VanDerWaalsContact O-N 3.13Å; D1056-A1060 PolarHBondContact O-N 3.4Å; D1056-A1060 VanDerWaalsContact O-N 3.11Å |
| 1057 | L | 39.8 | Very low | 38.1 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -60.5 | -24.5 | -176.1 | -163.4 | 70.9 | 0 | 0 | 0 | 113.1 | Q1055 L1061 | Q1055-L1057 VanDerWaalsContact C-N 3.34Å; Q1055-L1057 PolarHBondContact O-N 3.06Å; L1057-L1061 PolarHBondContact O-N 3.44Å |
| 1058 | H | 40.2 | Very low | 38.4 | Very low | 141 Ų | 141 | 119.7 Ų | 119.7 | 65% | 0.653 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -74.4 | -44.5 | 177 | -162 | 32.9 | 0 | 0 | 0 | 112.2 | D1056 L1061 E1062 | D1056-H1058 PolarHBondContact O-N 2.84Å; H1058-L1061 PolarHBondContact O-N 2.9Å; H1058-E1062 PolarHBondContact O-N 3.38Å |
| 1059 | A | 44.9 | Very low | 38.3 | Very low | 55 Ų | 55 | 117.9 Ų | 117.9 | 46% | 0.455 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -66.5 | -38.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1056 L1061 E1062 Q1063 | D1056-A1059 PolarHBondContact O-N 3.33Å; D1056-A1059 VanDerWaalsContact O-N 3.13Å; A1059-L1061 VanDerWaalsContact C-N 3.3Å; A1059-L1061 PolarHBondContact O-N 3.06Å; A1059-E1062 PolarHBondContact O-N 3.35Å; A1059-Q1063 PolarHBondContact O-N 3.33Å |
| 1060 | A | 41.7 | Very low | 38.9 | Very low | 51 Ų | 51 | 114.9 Ų | 114.9 | 42% | 0.421 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -60.6 | -39.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1056 Q1064 | D1056-A1060 PolarHBondContact O-N 3.4Å; D1056-A1060 VanDerWaalsContact O-N 3.11Å; A1060-Q1064 WeakPolarHBondContact O-CB 3.23Å; A1060-Q1064 PolarHBondContact O-N 3Å |
| 1061 | L | 41.7 | Very low | 39.1 | Very low | 104 Ų | 104 | 114.7 Ų | 114.7 | 55% | 0.545 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -68.3 | -39.6 | 179.9 | -140.5 | 78.5 | 0 | 0 | 0 | 112.6 | L1057 H1058 A1059 Q1064 L1065 | L1057-L1061 PolarHBondContact O-N 3.44Å; H1058-L1061 PolarHBondContact O-N 2.9Å; A1059-L1061 VanDerWaalsContact C-N 3.3Å; A1059-L1061 PolarHBondContact O-N 3.06Å; L1061-Q1064 PolarHBondContact O-N 2.97Å; L1061-L1065 PolarHBondContact O-N 3.43Å |
| 1062 | E | 45.5 | Very low | 39.4 | Very low | 121 Ų | 121 | 114.7 Ų | 114.7 | 57% | 0.565 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.1 | -42.2 | 178 | -71 | -161.7 | 124.6 | 0 | 0 | 112.5 | H1058 A1059 Q1064 L1065 L1066 | H1058-E1062 PolarHBondContact O-N 3.38Å; A1059-E1062 PolarHBondContact O-N 3.35Å; E1062-Q1064 VanDerWaalsContact C-N 3.32Å; E1062-Q1064 PolarHBondContact O-N 3.38Å; E1062-L1065 PolarHBondContact O-N 3.42Å; E1062-L1066 WeakPolarHBondContact O-CG 3.4Å; E1062-L1066 PolarHBondContact O-N 3Å |
| 1063 | Q | 42.8 | Very low | 39.4 | Very low | 153 Ų | 153 | 111.9 Ų | 111.9 | 72% | 0.715 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -63.5 | -37.9 | 175.5 | -73.1 | -167.6 | -16.5 | 0 | 0 | 112.1 | A1059 L1066 A1067 | A1059-Q1063 PolarHBondContact O-N 3.33Å; Q1063-L1066 PolarHBondContact O-N 2.82Å; Q1063-A1067 PolarHBondContact O-N 3.19Å |
| 1064 | Q | 39.4 | Very low | 39.6 | Very low | 152 Ų | 152 | 119.6 Ų | 119.6 | 71% | 0.71 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -73.7 | -30.6 | 179.5 | -161.7 | 160.8 | -26.6 | 0 | 0 | 112.7 | A1060 L1061 E1062 G1068 | A1060-Q1064 WeakPolarHBondContact O-CB 3.23Å; A1060-Q1064 PolarHBondContact O-N 3Å; L1061-Q1064 PolarHBondContact O-N 2.97Å; E1062-Q1064 VanDerWaalsContact C-N 3.32Å; E1062-Q1064 PolarHBondContact O-N 3.38Å; Q1064-G1068 PolarHBondContact O-N 3.27Å; Q1064-G1068 VanDerWaalsContact O-N 3.14Å |
| 1065 | L | 40.5 | Very low | 39.2 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 69% | 0.686 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.5 | -42.3 | 169.2 | -95.3 | 161.5 | 0 | 0 | 0 | 112.6 | L1061 E1062 G1068 | L1061-L1065 PolarHBondContact O-N 3.43Å; E1062-L1065 PolarHBondContact O-N 3.42Å; L1065-G1068 PolarHBondContact O-N 3.3Å |
| 1066 | L | 41.5 | Very low | 39 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 71% | 0.707 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -68.1 | -34.5 | 177.1 | -74 | 167.9 | 0 | 0 | 0 | 112.6 | E1062 Q1063 | E1062-L1066 WeakPolarHBondContact O-CG 3.4Å; E1062-L1066 PolarHBondContact O-N 3Å; Q1063-L1066 PolarHBondContact O-N 2.82Å |
| 1067 | A | 40.3 | Very low | 38.8 | Very low | 60 Ų | 60 | 126.7 Ų | 126.7 | 50% | 0.496 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -66.5 | -38.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1063 G1069 V1070 | Q1063-A1067 PolarHBondContact O-N 3.19Å; A1067-G1069 PolarHBondContact O-N 3.21Å; A1067-V1070 PolarHBondContact O-N 2.95Å |
| 1068 | G | 37.1 | Very low | 38.4 | Very low | 53 Ų | 53 | 129.2 Ų | 129.2 | 55% | 0.546 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -60.6 | -29.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1064 L1065 V1070 | Q1064-G1068 PolarHBondContact O-N 3.27Å; Q1064-G1068 VanDerWaalsContact O-N 3.14Å; L1065-G1068 PolarHBondContact O-N 3.3Å; G1068-V1070 VanDerWaalsContact C-N 3.28Å; G1068-V1070 PolarHBondContact O-N 3.33Å |
| 1069 | G | 38.7 | Very low | 37.9 | Very low | 64 Ų | 64 | 127.6 Ų | 127.6 | 66% | 0.66 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -70 | -15.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A1067 | A1067-G1069 PolarHBondContact O-N 3.21Å |
| 1070 | V | 38.7 | Very low | 37.2 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 62% | 0.624 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -100.3 | -26.1 | -169.5 | -177.5 | 0 | 0 | 0 | 0 | 113.2 | A1067 G1068 H1072 | A1067-V1070 PolarHBondContact O-N 2.95Å; G1068-V1070 VanDerWaalsContact C-N 3.28Å; G1068-V1070 PolarHBondContact O-N 3.33Å; V1070-H1072 PolarHBondContact O-N 2.69Å |
| 1071 | L | 33.5 | Very low | 36.6 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -75.8 | -24.1 | -172.6 | -74.5 | 172.9 | 0 | 0 | 0 | 114.6 | S1073 | L1071-S1073 VanDerWaalsContact C-N 3.31Å; L1071-S1073 PolarHBondContact O-N 2.72Å |
| 1072 | H | 37.9 | Very low | 36.2 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -9.1 | -179.1 | -123 | -51.8 | 0 | 0 | 0 | 114.8 | V1070 | V1070-H1072 PolarHBondContact O-N 2.69Š|
| 1073 | S | 36.1 | Very low | 35.6 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 5.2 | -177.7 | -161.3 | 0 | 0 | 0 | 0 | 114.1 | L1071 | L1071-S1073 VanDerWaalsContact C-N 3.31Å; L1071-S1073 PolarHBondContact O-N 2.72Å |
| 1074 | R | 33.2 | Very low | 35 | Very low | 226 Ų | 226 | 132.3 Ų | 132.3 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -118.1 | 3.1 | -172.3 | -121.2 | 179.6 | -175.7 | -172.2 | 0.7 | 117 | ||
| 1075 | Q | 31.9 | Very low | 34.6 | Very low | 177 Ų | 177 | 129.8 Ų | 129.8 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -104.1 | 13 | 179 | -82.7 | -169.9 | -24.2 | 0 | 0 | 115.5 | ||
| 1076 | I | 35.6 | Very low | 34.2 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -119.9 | 47.6 | 175.6 | -40.5 | -178.8 | 0 | 0 | 0 | 110.7 | ||
| 1077 | K | 33.6 | Very low | 33.8 | Very low | 199 Ų | 199 | 136.8 Ų | 136.8 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -155.4 | 10.3 | 174.5 | -128.9 | 174.5 | -175.3 | 179.8 | 0 | 118.4 | ||
| 1078 | Q | 32.5 | Very low | 33.5 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -145.4 | 84.3 | 175.1 | -69.7 | -173.7 | -67.8 | 0 | 0 | 111.2 | ||||
| 1079 | A | 29.4 | Very low | 33.3 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | trans | -169.8 | 71.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1080 | A | 30.1 | Very low | 33 | Very low | 90 Ų | 90 | 150.5 Ų | 150.5 | 74% | 0.744 | 83% | 0.829 | S | S | * | * | trans | -164 | 139.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1081 | V | 29.7 | Very low | 32.6 | Very low | 136 Ų | 136 | 153.4 Ų | 153.4 | 82% | 0.824 | 84% | 0.841 | S | S | * | * | trans | 70.8 | 126.9 | 177.5 | -176.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1082 | D | 32.3 | Very low | 32.6 | Very low | 133 Ų | 133 | 154.3 Ų | 154.3 | 71% | 0.711 | 85% | 0.848 | S | S | * | * | cis | -152.2 | -174.9 | 2.7 | -136.9 | -26.1 | 0 | 0 | 0 | 113.9 | ||||
| 1083 | D | 34 | Very low | 32.2 | Very low | 151 Ų | 151 | 152.8 Ų | 152.8 | 81% | 0.807 | 85% | 0.851 | S | S | * | * | trans | 70.6 | 141.6 | 162.5 | -66.7 | -46.7 | 0 | 0 | 0 | 119.6 | ||||
| 1084 | G | 28.8 | Very low | 31.9 | Very low | 73 Ų | 73 | 155.8 Ų | 155.8 | 75% | 0.753 | 86% | 0.856 | S | S | * | * | cis | 137.4 | 103.3 | -12.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1085 | A | 32 | Very low | 31.8 | Very low | 98 Ų | 98 | 150 Ų | 150 | 81% | 0.81 | 86% | 0.856 | S | S | * | * | trans | -170 | 145.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1086 | E | 31.8 | Very low | 31.8 | Very low | 276 Ų | 276 | 147.5 Ų | 147.5 | 100% | 1.29 | 86% | 0.859 | S | S | * | * | trans | 46.8 | 0 | 167.2 | -59.1 | -165.9 | 113.4 | 0 | 0 | 119.8 |
Retrieved 1,086 of 1,086 residues in 271.1 ms
(Link to these results)