| 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 | 38.4 | Very low | 56.2 | Low | 228 Ų | 228 | 106 Ų | 106 | 100% | 1.123 | 67% | 0.668 | S | S | * | * | 0 | 129.4 | 0 | -71 | -61.1 | 159 | 0 | 0 | 107.2 | A3 | M1-A3 PolarHBondContact O-N 3.34Š| |||
| 2 | P | 43.5 | Very low | 58.1 | Low | 128 Ų | 128 | 103.2 Ų | 103.2 | 83% | 0.831 | 65% | 0.649 | S | S | * | * | trans | -65.7 | 131.1 | -167 | 27.3 | -32.2 | 0 | 0 | 0 | 110.9 | ||||
| 3 | A | 45.9 | Very low | 59.5 | Low | 101 Ų | 101 | 101.1 Ų | 101.1 | 84% | 0.835 | 63% | 0.629 | S | S | * | * | trans | -68.2 | 140.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | M1 | M1-A3 PolarHBondContact O-N 3.34Š| ||
| 4 | G | 49.9 | Very low | 60.6 | Low | 60 Ų | 60 | 97.6 Ų | 97.6 | 62% | 0.619 | 60% | 0.598 | S | S | * | * | trans | -146.3 | 100.5 | 168 | 0 | 0 | 0 | 0 | 0 | 108.4 | S6 | G4-S6 PolarHBondContact O-N 3.42Š| ||
| 5 | P | 55.7 | Low | 61.7 | Low | 129 Ų | 129 | 99.9 Ų | 99.9 | 84% | 0.838 | 60% | 0.599 | S | S | * | * | trans | -75.6 | 72.6 | -177.2 | 33.1 | -34.9 | 0 | 0 | 0 | 109.9 | ||||
| 6 | S | 54.8 | Low | 62.9 | Low | 57 Ų | 57 | 100.8 Ų | 100.8 | 40% | 0.399 | 60% | 0.599 | S | S | . | * | trans | -118.3 | 5.4 | 172.5 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | G4 G8 N9 E10 | G4-S6 PolarHBondContact O-N 3.42Å; S6-G8 PolarHBondContact O-N 3.29Å; S6-G8 VanDerWaalsContact O-N 3.08Å; S6-N9 PolarHBondContact O-N 3.22Å; S6-E10 WeakPolarHBondContact O-CG 3.14Å; S6-E10 PolarHBondContact O-N 3.33Å | ||
| 7 | Q | 56.1 | Low | 63.8 | Low | 171 Ų | 171 | 98.1 Ų | 98.1 | 80% | 0.799 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -29.3 | 179.9 | -158.1 | -175.3 | 8.5 | 0 | 0 | 112.9 | E10 | Q7-E10 WeakPolarHBondContact CA-OE2 3.37Š|
| 8 | G | 61.6 | Low | 64.5 | Low | 62 Ų | 62 | 94.2 Ų | 94.2 | 64% | 0.639 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -28.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | S6 | S6-G8 PolarHBondContact O-N 3.29Å; S6-G8 VanDerWaalsContact O-N 3.08Å |
| 9 | N | 67.8 | Low | 65.2 | Low | 96 Ų | 96 | 93.4 Ų | 93.4 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96 | -18.9 | -178.8 | -70.5 | -59.7 | 0 | 0 | 0 | 112.8 | S6 P11 V12 I13 | S6-N9 PolarHBondContact O-N 3.22Å; N9-P11 VanDerWaalsContact C-CD 3.47Å; N9-V12 PolarHBondContact O-N 3.43Å; N9-V12 VanDerWaalsContact O-N 3.08Å; N9-I13 HydrophobicContact CB-CD1 3.81Å; N9-I13 HydrophobicContact CB-CG1 4.3Å; N9-I13 WeakPolarHBondContact O-CB 3.34Å; N9-I13 WeakPolarHBondContact O-CG1 3.39Å; N9-I13 PolarHBondContact O-N 3.47Å |
| 10 | E | 70.2 | Confident | 65.9 | Low | 65 Ų | 65 | 100 Ų | 100 | 30% | 0.304 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -47.4 | -47.8 | 176 | -90.2 | 177.5 | 71.4 | 0 | 0 | 114.3 | S6 Q7 I13 R14 | S6-E10 WeakPolarHBondContact O-CG 3.14Å; S6-E10 PolarHBondContact O-N 3.33Å; Q7-E10 WeakPolarHBondContact CA-OE2 3.37Å; E10-I13 PolarHBondContact O-N 3.25Å; E10-R14 WeakPolarHBondContact O-CB 3.47Å; E10-R14 VanDerWaalsContact O-CG 3.25Å; E10-R14 WeakPolarHBondContact O-CG 3.41Å; E10-R14 PolarHBondContact O-N 3.21Å; E10-R14 IonicContact OE1-CZ 3.69Å; E10-R14 IonicContact OE1-NH1 3.94Å; E10-R14 IonicContact OE1-NH2 2.75Å; E10-R14 PolarHBondContact OE1-NH2 3.06Å |
| 11 | P | 74.2 | Confident | 66.5 | Low | 69 Ų | 69 | 95.9 Ų | 95.9 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 177.4 | 25.1 | -33.9 | 0 | 0 | 0 | 112.7 | N9 R14 Q15 | N9-P11 VanDerWaalsContact C-CD 3.47Å; P11-R14 WeakPolarHBondContact O-CB 3.22Å; P11-R14 PolarHBondContact O-N 3.31Å; P11-Q15 WeakPolarHBondContact O-CB 3.31Å; P11-Q15 PolarHBondContact O-N 3.22Å |
| 12 | V | 79.5 | Confident | 68.3 | Low | 72 Ų | 72 | 87.8 Ų | 87.8 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 177.1 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | N9 R14 Q15 L16 | N9-V12 PolarHBondContact O-N 3.43Å; N9-V12 VanDerWaalsContact O-N 3.08Å; V12-R14 VanDerWaalsContact C-N 3.34Å; V12-R14 PolarHBondContact O-N 3.36Å; V12-Q15 PolarHBondContact O-N 2.78Å; V12-L16 HydrophobicContact CG1-CD1 4.13Å; V12-L16 HydrophobicContact CG1-CG 4.39Å; V12-L16 WeakPolarHBondContact O-CB 3.23Å; V12-L16 VanDerWaalsContact O-CG 3.31Å; V12-L16 WeakPolarHBondContact O-CG 3.18Å; V12-L16 PolarHBondContact O-N 3.1Å |
| 13 | I | 76.4 | Confident | 69.7 | Low | 76 Ų | 76 | 89 Ų | 89 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 177.1 | -62.8 | 163 | 0 | 0 | 0 | 110 | N9 E10 L16 F17 L37 | N9-I13 HydrophobicContact CB-CD1 3.81Å; N9-I13 HydrophobicContact CB-CG1 4.3Å; N9-I13 WeakPolarHBondContact O-CB 3.34Å; N9-I13 WeakPolarHBondContact O-CG1 3.39Å; N9-I13 PolarHBondContact O-N 3.47Å; E10-I13 PolarHBondContact O-N 3.25Å; I13-L16 PolarHBondContact O-N 3.06Å; I13-F17 WeakPolarHBondContact O-CB 3.2Å; I13-F17 PolarHBondContact O-N 3.25Å; I13-L37 HydrophobicContact CB-CD2 4.2Å; I13-L37 HydrophobicContact CG2-CD2 3.7Å |
| 14 | R | 74.1 | Confident | 70.8 | Confident | 53 Ų | 53 | 88.7 Ų | 88.7 | 20% | 0.2 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -56.8 | -49.5 | 171.8 | -78.6 | 176.1 | -167.3 | 107.5 | 11.4 | 111.1 | E10 P11 V12 F17 L18 L37 | E10-R14 WeakPolarHBondContact O-CB 3.47Å; E10-R14 VanDerWaalsContact O-CG 3.25Å; E10-R14 WeakPolarHBondContact O-CG 3.41Å; E10-R14 PolarHBondContact O-N 3.21Å; E10-R14 IonicContact OE1-CZ 3.69Å; E10-R14 IonicContact OE1-NH1 3.94Å; E10-R14 IonicContact OE1-NH2 2.75Å; E10-R14 PolarHBondContact OE1-NH2 3.06Å; P11-R14 WeakPolarHBondContact O-CB 3.22Å; P11-R14 PolarHBondContact O-N 3.31Å; V12-R14 VanDerWaalsContact C-N 3.34Å; V12-R14 PolarHBondContact O-N 3.36Å; R14-F17 WeakPolarHBondContact O-CB 3.4Å; R14-F17 PolarHBondContact O-N 3.31Å; R14-L18 WeakPolarHBondContact O-CB 3.49Å; R14-L18 WeakPolarHBondContact O-CG 3.46Å; R14-L18 PolarHBondContact O-N 3.46Å; R14-L37 HydrophobicContact CB-CD1 4.38Å; R14-L37 HydrophobicContact CG-CB 4.06Å; R14-L37 HydrophobicContact CG-CD1 3.65Å; R14-L37 HydrophobicContact CG-CD2 4.32Å; R14-L37 HydrophobicContact CG-CG 4.2Å |
| 15 | Q | 77.1 | Confident | 71.9 | Confident | 132 Ų | 132 | 86.3 Ų | 86.3 | 62% | 0.617 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.7 | -42.4 | -179.2 | -168.5 | -168.2 | -12.1 | 0 | 0 | 111.8 | P11 V12 F17 L18 S19 | P11-Q15 WeakPolarHBondContact O-CB 3.31Å; P11-Q15 PolarHBondContact O-N 3.22Å; V12-Q15 PolarHBondContact O-N 2.78Å; Q15-F17 VanDerWaalsContact C-N 3.3Å; Q15-F17 PolarHBondContact O-N 3.02Å; Q15-L18 PolarHBondContact O-N 2.93Å; Q15-S19 WeakPolarHBondContact O-CB 3.43Å; Q15-S19 PolarHBondContact O-N 3.18Å; Q15-S19 PolarHBondContact O-OG 3.28Å |
| 16 | L | 80.4 | Confident | 72.7 | Confident | 114 Ų | 114 | 83.7 Ų | 83.7 | 60% | 0.597 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.5 | -40.7 | 174.9 | -73.2 | 174.6 | 0 | 0 | 0 | 111.1 | V12 I13 R20 | V12-L16 HydrophobicContact CG1-CD1 4.13Å; V12-L16 HydrophobicContact CG1-CG 4.39Å; V12-L16 WeakPolarHBondContact O-CB 3.23Å; V12-L16 VanDerWaalsContact O-CG 3.31Å; V12-L16 WeakPolarHBondContact O-CG 3.18Å; V12-L16 PolarHBondContact O-N 3.1Å; I13-L16 PolarHBondContact O-N 3.06Å; L16-R20 VanDerWaalsContact O-CB 3.25Å; L16-R20 WeakPolarHBondContact O-CB 3.32Å; L16-R20 PolarHBondContact O-N 3Å |
| 17 | F | 79.3 | Confident | 73.5 | Confident | 54 Ų | 54 | 85.7 Ų | 85.7 | 24% | 0.237 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.7 | -53.7 | 176.5 | -172.2 | -108.9 | 0 | 0 | 0 | 111.1 | I13 R14 Q15 S19 R20 L21 L40 A41 A44 | I13-F17 WeakPolarHBondContact O-CB 3.2Å; I13-F17 PolarHBondContact O-N 3.25Å; R14-F17 WeakPolarHBondContact O-CB 3.4Å; R14-F17 PolarHBondContact O-N 3.31Å; Q15-F17 VanDerWaalsContact C-N 3.3Å; Q15-F17 PolarHBondContact O-N 3.02Å; F17-S19 VanDerWaalsContact C-N 3.35Å; F17-S19 PolarHBondContact O-N 3.4Å; F17-R20 PolarHBondContact O-N 3.21Å; F17-R20 VanDerWaalsContact O-N 3.15Å; F17-L21 HydrophobicContact CD1-CD1 3.69Å; F17-L21 HydrophobicContact CD1-CG 4.46Å; F17-L21 HydrophobicContact CE1-CD1 3.44Å; F17-L21 VanDerWaalsContact CE1-CD1 3.44Å; F17-L21 HydrophobicContact CE1-CG 4.27Å; F17-L21 HydrophobicContact CG-CD1 4.44Å; F17-L21 HydrophobicContact CZ-CD1 3.97Å; F17-L21 HydrophobicContact CZ-CD2 4.24Å; F17-L21 HydrophobicContact CZ-CG 4.38Å; F17-L21 VanDerWaalsContact O-CG 3.26Å; F17-L21 WeakPolarHBondContact O-CG 3.22Å; F17-L21 PolarHBondContact O-N 2.97Å; F17-L21 VanDerWaalsContact O-N 3.11Å; F17-L40 HydrophobicContact CD1-CD2 4.33Å; F17-A41 HydrophobicContact CE1-CB 4.34Å; F17-A41 HydrophobicContact CE2-CB 4.48Å; F17-A41 HydrophobicContact CZ-CB 4.07Å; F17-A44 HydrophobicContact CE1-CB 3.34Å; F17-A44 HydrophobicContact CZ-CB 3.26Å |
| 18 | L | 76.2 | Confident | 74.3 | Confident | 29 Ų | 29 | 79.6 Ų | 79.6 | 15% | 0.152 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 177.2 | -71.3 | 173 | 0 | 0 | 0 | 112.1 | R14 Q15 R20 L21 Q26 L29 E33 L40 | R14-L18 WeakPolarHBondContact O-CB 3.49Å; R14-L18 WeakPolarHBondContact O-CG 3.46Å; R14-L18 PolarHBondContact O-N 3.46Å; Q15-L18 PolarHBondContact O-N 2.93Å; L18-R20 VanDerWaalsContact C-N 3.26Å; L18-R20 PolarHBondContact O-N 2.84Å; L18-L21 HydrophobicContact CD2-CD1 4.46Å; L18-L21 PolarHBondContact O-N 3.02Å; L18-L21 VanDerWaalsContact O-N 3.13Å; L18-Q26 HydrophobicContact CB-CG 4.33Å; L18-Q26 HydrophobicContact CD2-CG 4.29Å; L18-Q26 PolarHBondContact O-NE2 3.47Å; L18-L29 HydrophobicContact CD2-CB 4.3Å; L18-L29 HydrophobicContact CD2-CD1 4.13Å; L18-E33 HydrophobicContact CD1-CG 3.91Å; L18-L40 HydrophobicContact CD2-CD2 4.05Å; L18-L40 HydrophobicContact CG-CD2 4.36Å |
| 19 | S | 78.2 | Confident | 75 | Confident | 78 Ų | 78 | 76.7 Ų | 76.7 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.2 | -30.4 | 178 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | Q15 F17 | Q15-S19 WeakPolarHBondContact O-CB 3.43Å; Q15-S19 PolarHBondContact O-N 3.18Å; Q15-S19 PolarHBondContact O-OG 3.28Å; F17-S19 VanDerWaalsContact C-N 3.35Å; F17-S19 PolarHBondContact O-N 3.4Å |
| 20 | R | 79.5 | Confident | 75.3 | Confident | 225 Ų | 225 | 78.3 Ų | 78.3 | 85% | 0.849 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -80.3 | -19.4 | 176.8 | -166.6 | 174.5 | -137.8 | 158.9 | 6 | 112.6 | L16 F17 L18 | L16-R20 VanDerWaalsContact O-CB 3.25Å; L16-R20 WeakPolarHBondContact O-CB 3.32Å; L16-R20 PolarHBondContact O-N 3Å; F17-R20 PolarHBondContact O-N 3.21Å; F17-R20 VanDerWaalsContact O-N 3.15Å; L18-R20 VanDerWaalsContact C-N 3.26Å; L18-R20 PolarHBondContact O-N 2.84Å |
| 21 | L | 77.6 | Confident | 75.5 | Confident | 14 Ų | 14 | 79.5 Ų | 79.5 | 7% | 0.073 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -79.6 | 146.9 | -179.1 | -71.6 | 170.4 | 0 | 0 | 0 | 111.8 | F17 L18 I25 L29 A44 L48 | F17-L21 HydrophobicContact CD1-CD1 3.69Å; F17-L21 HydrophobicContact CD1-CG 4.46Å; F17-L21 HydrophobicContact CE1-CD1 3.44Å; F17-L21 VanDerWaalsContact CE1-CD1 3.44Å; F17-L21 HydrophobicContact CE1-CG 4.27Å; F17-L21 HydrophobicContact CG-CD1 4.44Å; F17-L21 HydrophobicContact CZ-CD1 3.97Å; F17-L21 HydrophobicContact CZ-CD2 4.24Å; F17-L21 HydrophobicContact CZ-CG 4.38Å; F17-L21 VanDerWaalsContact O-CG 3.26Å; F17-L21 WeakPolarHBondContact O-CG 3.22Å; F17-L21 PolarHBondContact O-N 2.97Å; F17-L21 VanDerWaalsContact O-N 3.11Å; L18-L21 HydrophobicContact CD2-CD1 4.46Å; L18-L21 PolarHBondContact O-N 3.02Å; L18-L21 VanDerWaalsContact O-N 3.13Å; L21-I25 HydrophobicContact CB-CB 4.29Å; L21-I25 HydrophobicContact CB-CG2 4.33Å; L21-I25 HydrophobicContact CD1-CG2 3.86Å; L21-I25 HydrophobicContact CD2-CD1 4.34Å; L21-I25 HydrophobicContact CD2-CG2 4.17Å; L21-I25 HydrophobicContact CG-CG2 4.35Å; L21-L29 HydrophobicContact CD1-CD1 3.43Å; L21-L29 VanDerWaalsContact CD1-CD1 3.43Å; L21-A44 HydrophobicContact CD1-CB 3.73Å; L21-A44 HydrophobicContact CD2-CB 3.94Å; L21-A44 HydrophobicContact CG-CB 4.49Å; L21-L48 HydrophobicContact CD2-CD1 3.75Å; L21-L48 HydrophobicContact CD2-CG 4.28Å |
| 22 | P | 76.5 | Confident | 75.4 | Confident | 58 Ų | 58 | 80.3 Ų | 80.3 | 38% | 0.377 | 41% | 0.411 | S | S | . | . | trans | -57.9 | 143 | 171.2 | -18.1 | 27.6 | 0 | 0 | 0 | 111.7 | Q24 I25 Q26 L48 | P22-Q24 PolarHBondContact O-N 2.79Å; P22-I25 HydrophobicContact CG-CD1 4.15Å; P22-I25 HydrophobicContact CG-CG1 4.41Å; P22-I25 WeakPolarHBondContact O-CA 3.2Å; P22-I25 WeakPolarHBondContact O-CB 3.02Å; P22-I25 PolarHBondContact O-N 2.84Å; P22-Q26 PolarHBondContact O-N 3.3Å; P22-Q26 VanDerWaalsContact O-N 3.09Å; P22-L48 HydrophobicContact CG-CD2 4.06Å | ||
| 23 | H | 72.3 | Confident | 74.8 | Confident | 154 Ų | 154 | 80.9 Ų | 80.9 | 71% | 0.713 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -46.1 | -38.5 | -178.8 | -63.4 | 91.1 | 0 | 0 | 0 | 114.2 | I25 Q26 T27 | H23-I25 VanDerWaalsContact C-N 3.34Å; H23-I25 PolarHBondContact O-N 3.17Å; H23-Q26 WeakPolarHBondContact O-CB 3.45Å; H23-Q26 PolarHBondContact O-N 2.83Å; H23-T27 PolarHBondContact O-N 3.25Å; H23-T27 PolarHBondContact O-OG1 3.24Å |
| 24 | Q | 70.3 | Confident | 74.5 | Confident | 95 Ų | 95 | 86 Ų | 86 | 44% | 0.444 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.4 | -35.2 | 177.5 | -65 | -173.5 | -16.6 | 0 | 0 | 113.7 | P22 T27 A28 R51 | P22-Q24 PolarHBondContact O-N 2.79Å; Q24-T27 PolarHBondContact O-OG1 3.43Å; Q24-A28 WeakPolarHBondContact O-CB 3.32Å; Q24-A28 PolarHBondContact O-N 3.44Å; Q24-R51 VanDerWaalsContact CD-NH2 3.32Å |
| 25 | I | 72.9 | Confident | 74.5 | Confident | 10 Ų | 10 | 88.3 Ų | 88.3 | 5% | 0.051 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -75.4 | -38.3 | 175.3 | -57.1 | -171 | 0 | 0 | 0 | 108.9 | L21 P22 H23 T27 A28 L29 A44 L47 L48 | L21-I25 HydrophobicContact CB-CB 4.29Å; L21-I25 HydrophobicContact CB-CG2 4.33Å; L21-I25 HydrophobicContact CD1-CG2 3.86Å; L21-I25 HydrophobicContact CD2-CD1 4.34Å; L21-I25 HydrophobicContact CD2-CG2 4.17Å; L21-I25 HydrophobicContact CG-CG2 4.35Å; P22-I25 HydrophobicContact CG-CD1 4.15Å; P22-I25 HydrophobicContact CG-CG1 4.41Å; P22-I25 WeakPolarHBondContact O-CA 3.2Å; P22-I25 WeakPolarHBondContact O-CB 3.02Å; P22-I25 PolarHBondContact O-N 2.84Å; H23-I25 VanDerWaalsContact C-N 3.34Å; H23-I25 PolarHBondContact O-N 3.17Å; I25-T27 PolarHBondContact O-N 3.44Å; I25-A28 PolarHBondContact O-N 3.44Å; I25-L29 HydrophobicContact CG2-CD1 3.52Å; I25-L29 HydrophobicContact CG2-CG 3.92Å; I25-L29 VanDerWaalsContact O-CB 3.24Å; I25-L29 WeakPolarHBondContact O-CB 3.45Å; I25-L29 WeakPolarHBondContact O-CG 3.35Å; I25-L29 PolarHBondContact O-N 2.91Å; I25-A44 HydrophobicContact CG2-CB 4.21Å; I25-L47 HydrophobicContact CD1-CB 3.84Å; I25-L47 HydrophobicContact CG1-CB 4.16Å; I25-L47 HydrophobicContact CG1-CD1 4.49Å; I25-L47 HydrophobicContact CG2-CB 4.45Å; I25-L47 HydrophobicContact CG2-CD1 3.91Å; I25-L48 HydrophobicContact CD1-CD2 3.68Å; I25-L48 HydrophobicContact CD1-CG 3.61Å |
| 26 | Q | 71.9 | Confident | 74.3 | Confident | 73 Ų | 73 | 85.9 Ų | 85.9 | 34% | 0.341 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 176.1 | -132.1 | -177.9 | 64.1 | 0 | 0 | 111.9 | L18 P22 H23 L29 L30 | L18-Q26 HydrophobicContact CB-CG 4.33Å; L18-Q26 HydrophobicContact CD2-CG 4.29Å; L18-Q26 PolarHBondContact O-NE2 3.47Å; P22-Q26 PolarHBondContact O-N 3.3Å; P22-Q26 VanDerWaalsContact O-N 3.09Å; H23-Q26 WeakPolarHBondContact O-CB 3.45Å; H23-Q26 PolarHBondContact O-N 2.83Å; Q26-L29 PolarHBondContact O-N 2.76Å; Q26-L30 PolarHBondContact O-N 3.31Å |
| 27 | T | 72.2 | Confident | 73.8 | Confident | 99 Ų | 99 | 82 Ų | 82 | 61% | 0.607 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.1 | -39 | 176 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | H23 Q24 I25 L29 L30 P31 | H23-T27 PolarHBondContact O-N 3.25Å; H23-T27 PolarHBondContact O-OG1 3.24Å; Q24-T27 PolarHBondContact O-OG1 3.43Å; I25-T27 PolarHBondContact O-N 3.44Å; T27-L29 VanDerWaalsContact C-N 3.27Å; T27-L29 PolarHBondContact O-N 2.95Å; T27-L30 PolarHBondContact O-N 2.83Å; T27-P31 WeakPolarHBondContact O-CD 3.18Å |
| 28 | A | 71.7 | Confident | 73.6 | Confident | 43 Ų | 43 | 83 Ų | 83 | 36% | 0.355 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.6 | -27.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q24 I25 F32 L47 | Q24-A28 WeakPolarHBondContact O-CB 3.32Å; Q24-A28 PolarHBondContact O-N 3.44Å; I25-A28 PolarHBondContact O-N 3.44Å; A28-F32 WeakPolarHBondContact O-CD2 3.46Å; A28-F32 WeakPolarHBondContact O-CE2 3.47Å; A28-L47 HydrophobicContact CB-CD1 4.23Å |
| 29 | L | 76.2 | Confident | 73.7 | Confident | 1 Ų | 1 | 84.7 Ų | 84.7 | 1% | 0.005 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -91.4 | -15.3 | 179 | -71.3 | 177 | 0 | 0 | 0 | 113.6 | L18 L21 I25 Q26 T27 P31 F32 E33 L40 L43 A44 | L18-L29 HydrophobicContact CD2-CB 4.3Å; L18-L29 HydrophobicContact CD2-CD1 4.13Å; L21-L29 HydrophobicContact CD1-CD1 3.43Å; L21-L29 VanDerWaalsContact CD1-CD1 3.43Å; I25-L29 HydrophobicContact CG2-CD1 3.52Å; I25-L29 HydrophobicContact CG2-CG 3.92Å; I25-L29 VanDerWaalsContact O-CB 3.24Å; I25-L29 WeakPolarHBondContact O-CB 3.45Å; I25-L29 WeakPolarHBondContact O-CG 3.35Å; I25-L29 PolarHBondContact O-N 2.91Å; Q26-L29 PolarHBondContact O-N 2.76Å; T27-L29 VanDerWaalsContact C-N 3.27Å; T27-L29 PolarHBondContact O-N 2.95Å; L29-P31 VanDerWaalsContact C-CD 3.45Å; L29-P31 VanDerWaalsContact C-N 3.33Å; L29-F32 CarbonylContact O-C 3.29Å; L29-F32 VanDerWaalsContact O-C 3.29Å; L29-F32 WeakPolarHBondContact O-CA 3.24Å; L29-F32 PolarHBondContact O-N 3.44Å; L29-E33 PolarHBondContact O-N 2.96Å; L29-L40 HydrophobicContact CB-CD1 3.98Å; L29-L40 HydrophobicContact CD1-CD1 4.32Å; L29-L40 HydrophobicContact CD1-CG 4.12Å; L29-L40 HydrophobicContact CD2-CD1 3.68Å; L29-L40 HydrophobicContact CD2-CG 4.09Å; L29-L40 HydrophobicContact CG-CD1 4.19Å; L29-L43 HydrophobicContact CD2-CB 3.91Å; L29-L43 HydrophobicContact CD2-CD1 4.47Å; L29-A44 HydrophobicContact CD1-CB 3.88Å |
| 30 | L | 74 | Confident | 73.7 | Confident | 130 Ų | 130 | 81 Ų | 81 | 68% | 0.681 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -53.8 | -42.4 | 178.6 | -164.9 | 72.6 | 0 | 0 | 0 | 112.9 | Q26 T27 F32 E33 | Q26-L30 PolarHBondContact O-N 3.31Å; T27-L30 PolarHBondContact O-N 2.83Å; L30-F32 PolarHBondContact O-N 3.21Å; L30-E33 PolarHBondContact O-N 3.09Å |
| 31 | P | 74.4 | Confident | 73.7 | Confident | 91 Ų | 91 | 71.9 Ų | 71.9 | 59% | 0.591 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -70.8 | -11.5 | 174 | -16.2 | 31.8 | 0 | 0 | 0 | 114.2 | T27 L29 | T27-P31 WeakPolarHBondContact O-CD 3.18Å; L29-P31 VanDerWaalsContact C-CD 3.45Å; L29-P31 VanDerWaalsContact C-N 3.33Å |
| 32 | F | 71.8 | Confident | 73.8 | Confident | 85 Ų | 85 | 79.8 Ų | 79.8 | 37% | 0.373 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -113.3 | 0.8 | -177.4 | -57.5 | -61.3 | 0 | 0 | 0 | 112.8 | A28 L29 L30 E34 K35 L40 L43 | A28-F32 WeakPolarHBondContact O-CD2 3.46Å; A28-F32 WeakPolarHBondContact O-CE2 3.47Å; L29-F32 CarbonylContact O-C 3.29Å; L29-F32 VanDerWaalsContact O-C 3.29Å; L29-F32 WeakPolarHBondContact O-CA 3.24Å; L29-F32 PolarHBondContact O-N 3.44Å; L30-F32 PolarHBondContact O-N 3.21Å; F32-E34 PolarHBondContact O-N 2.83Å; F32-K35 HydrophobicContact CB-CD 4.23Å; F32-K35 HydrophobicContact CD1-CD 3.84Å; F32-K35 VanDerWaalsContact CD1-CE 3.41Å; F32-K35 HydrophobicContact CG-CD 4.48Å; F32-K35 WeakPolarHBondContact O-CB 3.46Å; F32-K35 PolarHBondContact O-N 2.81Å; F32-L40 HydrophobicContact CB-CD1 4.05Å; F32-L40 WeakPolarHBondContact O-CD1 3.34Å; F32-L43 HydrophobicContact CB-CD1 4.49Å; F32-L43 HydrophobicContact CD2-CD1 4.33Å; F32-L43 HydrophobicContact CG-CD1 4.28Å |
| 33 | E | 68.8 | Low | 73.9 | Confident | 84 Ų | 84 | 79.9 Ų | 79.9 | 39% | 0.393 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -32 | -176.9 | -168.3 | -93.2 | 145.1 | 0 | 0 | 111.7 | L18 L29 L30 K35 | L18-E33 HydrophobicContact CD1-CG 3.91Å; L29-E33 PolarHBondContact O-N 2.96Å; L30-E33 PolarHBondContact O-N 3.09Å; E33-K35 PolarHBondContact O-N 3Å |
| 34 | E | 69.9 | Low | 74.3 | Confident | 184 Ų | 184 | 72.6 Ų | 72.6 | 86% | 0.86 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -9.2 | 173.2 | -58.3 | -176.4 | 100 | 0 | 0 | 114 | F32 | F32-E34 PolarHBondContact O-N 2.83Š|
| 35 | K | 73 | Confident | 74.8 | Confident | 101 Ų | 101 | 73.3 Ų | 73.3 | 44% | 0.439 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -84.5 | 156.8 | 178.5 | -65.1 | -174.7 | -177.3 | -72.3 | 0 | 111.5 | F32 E33 L37 | F32-K35 HydrophobicContact CB-CD 4.23Å; F32-K35 HydrophobicContact CD1-CD 3.84Å; F32-K35 VanDerWaalsContact CD1-CE 3.41Å; F32-K35 HydrophobicContact CG-CD 4.48Å; F32-K35 WeakPolarHBondContact O-CB 3.46Å; F32-K35 PolarHBondContact O-N 2.81Å; E33-K35 PolarHBondContact O-N 3Å; K35-L37 PolarHBondContact O-N 2.87Å |
| 36 | P | 73.1 | Confident | 75.2 | Confident | 82 Ų | 82 | 81.2 Ų | 81.2 | 53% | 0.532 | 42% | 0.423 | S | S | . | . | trans | -54.1 | 136.7 | 177.1 | 20.1 | -33.5 | 0 | 0 | 0 | 111.9 | A38 V39 L40 | P36-A38 PolarHBondContact O-N 2.91Å; P36-V39 HydrophobicContact CG-CB 4.42Å; P36-V39 HydrophobicContact CG-CG2 3.89Å; P36-V39 WeakPolarHBondContact O-CB 3.33Å; P36-V39 PolarHBondContact O-N 3.28Å; P36-L40 PolarHBondContact O-N 3.44Å | ||
| 37 | L | 70.8 | Confident | 75.5 | Confident | 32 Ų | 32 | 80.8 Ų | 80.8 | 17% | 0.168 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -51.1 | -34.8 | -175.3 | 172.6 | 64.5 | 0 | 0 | 0 | 112.6 | I13 R14 K35 V39 L40 A41 | I13-L37 HydrophobicContact CB-CD2 4.2Å; I13-L37 HydrophobicContact CG2-CD2 3.7Å; R14-L37 HydrophobicContact CB-CD1 4.38Å; R14-L37 HydrophobicContact CG-CB 4.06Å; R14-L37 HydrophobicContact CG-CD1 3.65Å; R14-L37 HydrophobicContact CG-CD2 4.32Å; R14-L37 HydrophobicContact CG-CG 4.2Å; K35-L37 PolarHBondContact O-N 2.87Å; L37-V39 VanDerWaalsContact C-N 3.29Å; L37-V39 PolarHBondContact O-N 3.21Å; L37-L40 PolarHBondContact O-N 3.14Å; L37-A41 VanDerWaalsContact O-CB 3.26Å; L37-A41 WeakPolarHBondContact O-CB 3.37Å; L37-A41 PolarHBondContact O-N 2.84Å |
| 38 | A | 74.9 | Confident | 75.9 | Confident | 76 Ų | 76 | 78.8 Ų | 78.8 | 63% | 0.628 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.6 | -36.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P36 R42 | P36-A38 PolarHBondContact O-N 2.91Å; A38-R42 WeakPolarHBondContact O-CB 3.16Å; A38-R42 PolarHBondContact O-N 3.49Å |
| 39 | V | 78.5 | Confident | 76.2 | Confident | 63 Ų | 63 | 79 Ų | 79 | 38% | 0.382 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -75.1 | -43.8 | 176.4 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | P36 L37 A41 R42 L43 | P36-V39 HydrophobicContact CG-CB 4.42Å; P36-V39 HydrophobicContact CG-CG2 3.89Å; P36-V39 WeakPolarHBondContact O-CB 3.33Å; P36-V39 PolarHBondContact O-N 3.28Å; L37-V39 VanDerWaalsContact C-N 3.29Å; L37-V39 PolarHBondContact O-N 3.21Å; V39-A41 VanDerWaalsContact C-N 3.33Å; V39-A41 PolarHBondContact O-N 3.45Å; V39-R42 PolarHBondContact O-N 3.32Å; V39-L43 HydrophobicContact CG1-CD1 4.11Å; V39-L43 HydrophobicContact CG1-CG 4.39Å; V39-L43 WeakPolarHBondContact O-CG 3.46Å; V39-L43 PolarHBondContact O-N 2.9Å |
| 40 | L | 78 | Confident | 76.2 | Confident | 2 Ų | 2 | 83.2 Ų | 83.2 | 1% | 0.01 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 176.7 | -158.9 | 80.4 | 0 | 0 | 0 | 111.4 | F17 L18 L29 F32 P36 L37 R42 L43 A44 | F17-L40 HydrophobicContact CD1-CD2 4.33Å; L18-L40 HydrophobicContact CD2-CD2 4.05Å; L18-L40 HydrophobicContact CG-CD2 4.36Å; L29-L40 HydrophobicContact CB-CD1 3.98Å; L29-L40 HydrophobicContact CD1-CD1 4.32Å; L29-L40 HydrophobicContact CD1-CG 4.12Å; L29-L40 HydrophobicContact CD2-CD1 3.68Å; L29-L40 HydrophobicContact CD2-CG 4.09Å; L29-L40 HydrophobicContact CG-CD1 4.19Å; F32-L40 HydrophobicContact CB-CD1 4.05Å; F32-L40 WeakPolarHBondContact O-CD1 3.34Å; P36-L40 PolarHBondContact O-N 3.44Å; L37-L40 PolarHBondContact O-N 3.14Å; L40-R42 VanDerWaalsContact C-N 3.35Å; L40-R42 PolarHBondContact O-N 2.84Å; L40-L43 PolarHBondContact O-N 2.8Å; L40-A44 VanDerWaalsContact O-CB 3.24Å; L40-A44 WeakPolarHBondContact O-CB 3.24Å; L40-A44 PolarHBondContact O-N 3.47Å |
| 41 | A | 78.2 | Confident | 75.9 | Confident | 32 Ų | 32 | 82.1 Ų | 82.1 | 26% | 0.264 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F17 L37 V39 A44 D45 | F17-A41 HydrophobicContact CE1-CB 4.34Å; F17-A41 HydrophobicContact CE2-CB 4.48Å; F17-A41 HydrophobicContact CZ-CB 4.07Å; L37-A41 VanDerWaalsContact O-CB 3.26Å; L37-A41 WeakPolarHBondContact O-CB 3.37Å; L37-A41 PolarHBondContact O-N 2.84Å; V39-A41 VanDerWaalsContact C-N 3.33Å; V39-A41 PolarHBondContact O-N 3.45Å; A41-A44 PolarHBondContact O-N 2.78Å; A41-D45 WeakPolarHBondContact O-CB 3.5Å; A41-D45 PolarHBondContact O-N 3.11Å |
| 42 | R | 80.5 | Confident | 75.7 | Confident | 181 Ų | 181 | 84.2 Ų | 84.2 | 68% | 0.683 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -69.2 | -33.8 | 178.5 | -171.5 | 165.8 | -74.9 | 169.8 | -2.3 | 113.2 | A38 V39 L40 R46 | A38-R42 WeakPolarHBondContact O-CB 3.16Å; A38-R42 PolarHBondContact O-N 3.49Å; V39-R42 PolarHBondContact O-N 3.32Å; L40-R42 VanDerWaalsContact C-N 3.35Å; L40-R42 PolarHBondContact O-N 2.84Å; R42-R46 WeakPolarHBondContact O-CB 3.19Å; R42-R46 VanDerWaalsContact O-CG 3.32Å; R42-R46 WeakPolarHBondContact O-CG 3.37Å; R42-R46 PolarHBondContact O-N 3.35Å; R42-R46 VanDerWaalsContact O-N 3.14Å |
| 43 | L | 78.9 | Confident | 75.3 | Confident | 60 Ų | 60 | 83.6 Ų | 83.6 | 31% | 0.314 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.6 | -46.8 | 174.6 | -72.4 | 174.9 | 0 | 0 | 0 | 111.2 | L29 F32 V39 L40 R46 L47 | L29-L43 HydrophobicContact CD2-CB 3.91Å; L29-L43 HydrophobicContact CD2-CD1 4.47Å; F32-L43 HydrophobicContact CB-CD1 4.49Å; F32-L43 HydrophobicContact CD2-CD1 4.33Å; F32-L43 HydrophobicContact CG-CD1 4.28Å; V39-L43 HydrophobicContact CG1-CD1 4.11Å; V39-L43 HydrophobicContact CG1-CG 4.39Å; V39-L43 WeakPolarHBondContact O-CG 3.46Å; V39-L43 PolarHBondContact O-N 2.9Å; L40-L43 PolarHBondContact O-N 2.8Å; L43-R46 PolarHBondContact O-N 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.41Å; L43-L47 PolarHBondContact O-N 2.91Å |
| 44 | A | 80 | Confident | 74.9 | Confident | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F17 L21 I25 L29 L40 A41 R46 L47 L48 | F17-A44 HydrophobicContact CE1-CB 3.34Å; F17-A44 HydrophobicContact CZ-CB 3.26Å; L21-A44 HydrophobicContact CD1-CB 3.73Å; L21-A44 HydrophobicContact CD2-CB 3.94Å; L21-A44 HydrophobicContact CG-CB 4.49Å; I25-A44 HydrophobicContact CG2-CB 4.21Å; L29-A44 HydrophobicContact CD1-CB 3.88Å; L40-A44 VanDerWaalsContact O-CB 3.24Å; L40-A44 WeakPolarHBondContact O-CB 3.24Å; L40-A44 PolarHBondContact O-N 3.47Å; A41-A44 PolarHBondContact O-N 2.78Å; A44-R46 VanDerWaalsContact C-N 3.31Å; A44-R46 PolarHBondContact O-N 3.18Å; A44-L47 PolarHBondContact O-N 2.84Å; A44-L48 WeakPolarHBondContact O-CB 3.42Å; A44-L48 PolarHBondContact O-N 3.13Å |
| 45 | D | 81.4 | Confident | 74.2 | Confident | 110 Ų | 110 | 80.3 Ų | 80.3 | 59% | 0.588 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.8 | -41.2 | 176.5 | -167.5 | -100.3 | 0 | 0 | 0 | 110.8 | A41 L48 A49 | A41-D45 WeakPolarHBondContact O-CB 3.5Å; A41-D45 PolarHBondContact O-N 3.11Å; D45-L48 PolarHBondContact O-N 3.02Å; D45-A49 WeakPolarHBondContact O-CB 3.46Å; D45-A49 PolarHBondContact O-N 3.27Å |
| 46 | R | 80.8 | Confident | 73.3 | Confident | 176 Ų | 176 | 80.6 Ų | 80.6 | 66% | 0.664 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65.4 | -39.5 | 172.6 | -78 | 179.5 | 178.9 | -166.2 | -0.7 | 113.6 | R42 L43 A44 L50 | R42-R46 WeakPolarHBondContact O-CB 3.19Å; R42-R46 VanDerWaalsContact O-CG 3.32Å; R42-R46 WeakPolarHBondContact O-CG 3.37Å; R42-R46 PolarHBondContact O-N 3.35Å; R42-R46 VanDerWaalsContact O-N 3.14Å; L43-R46 PolarHBondContact O-N 3.27Å; A44-R46 VanDerWaalsContact C-N 3.31Å; A44-R46 PolarHBondContact O-N 3.18Å; R46-L50 VanDerWaalsContact O-CB 3.22Å; R46-L50 WeakPolarHBondContact O-CB 3.25Å; R46-L50 PolarHBondContact O-N 2.81Å |
| 47 | L | 78.3 | Confident | 72.3 | Confident | 64 Ų | 64 | 79.7 Ų | 79.7 | 34% | 0.335 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.2 | -40 | 177.7 | -75.8 | 171.4 | 0 | 0 | 0 | 111.5 | I25 A28 L43 A44 R51 | I25-L47 HydrophobicContact CD1-CB 3.84Å; I25-L47 HydrophobicContact CG1-CB 4.16Å; I25-L47 HydrophobicContact CG1-CD1 4.49Å; I25-L47 HydrophobicContact CG2-CB 4.45Å; I25-L47 HydrophobicContact CG2-CD1 3.91Å; A28-L47 HydrophobicContact CB-CD1 4.23Å; L43-L47 WeakPolarHBondContact O-CG 3.41Å; L43-L47 PolarHBondContact O-N 2.91Å; A44-L47 PolarHBondContact O-N 2.84Å; L47-R51 WeakPolarHBondContact O-CB 3.45Å; L47-R51 PolarHBondContact O-N 3.28Å |
| 48 | L | 80.4 | Confident | 70.9 | Confident | 58 Ų | 58 | 81.8 Ų | 81.8 | 30% | 0.304 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.3 | -51.4 | 171.6 | -79.1 | 173.6 | 0 | 0 | 0 | 110.9 | L21 P22 I25 A44 D45 L50 R51 E52 | L21-L48 HydrophobicContact CD2-CD1 3.75Å; L21-L48 HydrophobicContact CD2-CG 4.28Å; P22-L48 HydrophobicContact CG-CD2 4.06Å; I25-L48 HydrophobicContact CD1-CD2 3.68Å; I25-L48 HydrophobicContact CD1-CG 3.61Å; A44-L48 WeakPolarHBondContact O-CB 3.42Å; A44-L48 PolarHBondContact O-N 3.13Å; D45-L48 PolarHBondContact O-N 3.02Å; L48-L50 VanDerWaalsContact C-N 3.27Å; L48-L50 PolarHBondContact O-N 3.45Å; L48-R51 CarbonylContact O-C 3.55Å; L48-R51 WeakPolarHBondContact O-CA 3.42Å; L48-R51 VanDerWaalsContact O-CB 3.31Å; L48-R51 WeakPolarHBondContact O-CB 3.37Å; L48-R51 PolarHBondContact O-N 3.36Å; L48-E52 WeakPolarHBondContact O-CG 3.26Å; L48-E52 PolarHBondContact O-N 3.46Å |
| 49 | A | 79.2 | Confident | 69.8 | Low | 46 Ų | 46 | 84.3 Ų | 84.3 | 38% | 0.38 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.3 | -37.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D45 S53 | D45-A49 WeakPolarHBondContact O-CB 3.46Å; D45-A49 PolarHBondContact O-N 3.27Å; A49-S53 WeakPolarHBondContact O-CA 3.26Å; A49-S53 WeakPolarHBondContact O-CB 3.2Å; A49-S53 PolarHBondContact O-N 3.38Å |
| 50 | L | 75.4 | Confident | 68.4 | Low | 91 Ų | 91 | 86.1 Ų | 86.1 | 48% | 0.476 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 174.5 | -175.8 | 65.6 | 0 | 0 | 0 | 111.5 | R46 L48 Q54 | R46-L50 VanDerWaalsContact O-CB 3.22Å; R46-L50 WeakPolarHBondContact O-CB 3.25Å; R46-L50 PolarHBondContact O-N 2.81Å; L48-L50 VanDerWaalsContact C-N 3.27Å; L48-L50 PolarHBondContact O-N 3.45Å; L50-Q54 HydrophobicContact CD1-CG 4.42Å; L50-Q54 WeakPolarHBondContact O-CB 3.31Å; L50-Q54 WeakPolarHBondContact O-CG 3.44Å; L50-Q54 PolarHBondContact O-N 2.71Å; L50-Q54 VanDerWaalsContact O-N 3.1Å |
| 51 | R | 68.5 | Low | 67 | Low | 107 Ų | 107 | 90 Ų | 90 | 40% | 0.404 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 173.7 | -101.1 | -116.4 | 178.8 | -168.5 | -3.2 | 111.5 | Q24 L47 L48 Q54 L55 | Q24-R51 VanDerWaalsContact CD-NH2 3.32Å; L47-R51 WeakPolarHBondContact O-CB 3.45Å; L47-R51 PolarHBondContact O-N 3.28Å; L48-R51 CarbonylContact O-C 3.55Å; L48-R51 WeakPolarHBondContact O-CA 3.42Å; L48-R51 VanDerWaalsContact O-CB 3.31Å; L48-R51 WeakPolarHBondContact O-CB 3.37Å; L48-R51 PolarHBondContact O-N 3.36Å; R51-Q54 PolarHBondContact O-N 3.2Å; R51-L55 WeakPolarHBondContact O-CB 3.22Å; R51-L55 VanDerWaalsContact O-CG 3.32Å; R51-L55 WeakPolarHBondContact O-CG 3.39Å; R51-L55 PolarHBondContact O-N 3.15Å |
| 52 | E | 69.1 | Low | 65.6 | Low | 134 Ų | 134 | 92.2 Ų | 92.2 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.4 | -43.6 | 178.4 | -68.9 | -164.1 | 116.2 | 0 | 0 | 111.8 | L48 Q54 L55 S56 | L48-E52 WeakPolarHBondContact O-CG 3.26Å; L48-E52 PolarHBondContact O-N 3.46Å; E52-Q54 PolarHBondContact O-N 2.82Å; E52-L55 PolarHBondContact O-N 2.97Å; E52-S56 WeakPolarHBondContact O-CB 3.25Å; E52-S56 PolarHBondContact O-N 3.41Å |
| 53 | S | 64.4 | Low | 64.3 | Low | 72 Ų | 72 | 88.5 Ų | 88.5 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -30.1 | -179.3 | -167.5 | 0 | 0 | 0 | 0 | 111.9 | A49 A57 | A49-S53 WeakPolarHBondContact O-CA 3.26Å; A49-S53 WeakPolarHBondContact O-CB 3.2Å; A49-S53 PolarHBondContact O-N 3.38Å; S53-A57 WeakPolarHBondContact O-CB 3.49Å; S53-A57 PolarHBondContact O-N 3.48Å |
| 54 | Q | 60.4 | Low | 63.1 | Low | 61 Ų | 61 | 89 Ų | 89 | 29% | 0.285 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -88.4 | -24.8 | 174.7 | -71.1 | -114.7 | 16.6 | 0 | 0 | 114 | L50 R51 E52 Y61 | L50-Q54 HydrophobicContact CD1-CG 4.42Å; L50-Q54 WeakPolarHBondContact O-CB 3.31Å; L50-Q54 WeakPolarHBondContact O-CG 3.44Å; L50-Q54 PolarHBondContact O-N 2.71Å; L50-Q54 VanDerWaalsContact O-N 3.1Å; R51-Q54 PolarHBondContact O-N 3.2Å; E52-Q54 PolarHBondContact O-N 2.82Å; Q54-Y61 HydrophobicContact CB-CD2 3.19Å; Q54-Y61 HydrophobicContact CB-CE2 2.85Å; Q54-Y61 HydrophobicContact CB-CG 4.26Å; Q54-Y61 HydrophobicContact CG-CD2 3.89Å; Q54-Y61 HydrophobicContact CG-CE1 4.29Å; Q54-Y61 HydrophobicContact CG-CE2 3.14Å; Q54-Y61 VanDerWaalsContact CG-OH 3.23Å; Q54-Y61 WeakPolarHBondContact CG-OH 3.18Å; Q54-Y61 VanDerWaalsContact NE2-CZ 3.27Å; Q54-Y61 PolarHBondContact NE2-OH 2.85Å |
| 55 | L | 53.7 | Low | 61.6 | Low | 138 Ų | 138 | 96.2 Ų | 96.2 | 72% | 0.723 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | -33.4 | 164.3 | -76.6 | 164.9 | 0 | 0 | 0 | 110.9 | R51 E52 | R51-L55 WeakPolarHBondContact O-CB 3.22Å; R51-L55 VanDerWaalsContact O-CG 3.32Å; R51-L55 WeakPolarHBondContact O-CG 3.39Å; R51-L55 PolarHBondContact O-N 3.15Å; E52-L55 PolarHBondContact O-N 2.97Å |
| 56 | S | 54.4 | Low | 59.7 | Low | 108 Ų | 108 | 92.7 Ų | 92.7 | 76% | 0.755 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -85.5 | -35.6 | 179.8 | -172.3 | 0 | 0 | 0 | 0 | 113.3 | E52 | E52-S56 WeakPolarHBondContact O-CB 3.25Å; E52-S56 PolarHBondContact O-N 3.41Å |
| 57 | A | 51.8 | Low | 58.4 | Low | 63 Ų | 63 | 88.5 Ų | 88.5 | 52% | 0.521 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -108.2 | 87.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | S53 | S53-A57 WeakPolarHBondContact O-CB 3.49Å; S53-A57 PolarHBondContact O-N 3.48Å |
| 58 | S | 42.8 | Very low | 57.1 | Low | 76 Ų | 76 | 91.8 Ų | 91.8 | 53% | 0.531 | 54% | 0.535 | S | S | . | . | trans | 78.8 | 126.3 | 164.8 | -155.6 | 0 | 0 | 0 | 0 | 116.4 | V60 | S58-V60 PolarHBondContact O-N 3.22Š| ||
| 59 | P | 50.2 | Low | 55.7 | Low | 129 Ų | 129 | 92.3 Ų | 92.3 | 84% | 0.838 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -72.4 | 28.5 | -176.5 | 33 | -36.2 | 0 | 0 | 0 | 114.2 | Y61 | P59-Y61 PolarHBondContact O-N 2.91Š|
| 60 | V | 49.5 | Very low | 54.3 | Low | 100 Ų | 100 | 98.7 Ų | 98.7 | 61% | 0.606 | 56% | 0.561 | S | S | * | * | trans | -92.3 | 46.4 | 177.2 | -167.4 | 0 | 0 | 0 | 0 | 110 | S58 | S58-V60 PolarHBondContact O-N 3.22Š| ||
| 61 | Y | 48.5 | Very low | 53.3 | Low | 85 Ų | 85 | 100.2 Ų | 100.2 | 33% | 0.333 | 57% | 0.569 | S | S | . | * | trans | -103.5 | 28.8 | 163.7 | -107.1 | -28.3 | 0 | 0 | 0 | 112.7 | Q54 P59 T63 | Q54-Y61 HydrophobicContact CB-CD2 3.19Å; Q54-Y61 HydrophobicContact CB-CE2 2.85Å; Q54-Y61 HydrophobicContact CB-CG 4.26Å; Q54-Y61 HydrophobicContact CG-CD2 3.89Å; Q54-Y61 HydrophobicContact CG-CE1 4.29Å; Q54-Y61 HydrophobicContact CG-CE2 3.14Å; Q54-Y61 VanDerWaalsContact CG-OH 3.23Å; Q54-Y61 WeakPolarHBondContact CG-OH 3.18Å; Q54-Y61 VanDerWaalsContact NE2-CZ 3.27Å; Q54-Y61 PolarHBondContact NE2-OH 2.85Å; P59-Y61 PolarHBondContact O-N 2.91Å; Y61-T63 PolarHBondContact O-N 3.23Å | ||
| 62 | A | 50.1 | Low | 52.7 | Low | 77 Ų | 77 | 100.6 Ų | 100.6 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -2.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 63 | T | 53 | Low | 52.2 | Low | 104 Ų | 104 | 99.5 Ų | 99.5 | 64% | 0.638 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -13.9 | -171.9 | -40.3 | 0 | 0 | 0 | 0 | 114.7 | Y61 | Y61-T63 PolarHBondContact O-N 3.23Š|
| 64 | T | 52.6 | Low | 51.6 | Low | 70 Ų | 70 | 102.3 Ų | 102.3 | 43% | 0.429 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -86.9 | -17.8 | 170.3 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | G66 V67 | T64-G66 VanDerWaalsContact C-N 3.26Å; T64-V67 WeakPolarHBondContact O-CG2 3.44Å |
| 65 | Q | 48.5 | Very low | 51.5 | Low | 152 Ų | 152 | 107.8 Ų | 107.8 | 71% | 0.71 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.2 | -22.5 | 166.4 | -158.6 | 178.1 | -50 | 0 | 0 | 111.8 | V67 A69 | Q65-V67 VanDerWaalsContact C-N 3.33Å; Q65-V67 PolarHBondContact O-N 3.49Å; Q65-A69 PolarHBondContact O-N 3.38Å |
| 66 | G | 42.7 | Very low | 51.2 | Low | 36 Ų | 36 | 109.9 Ų | 109.9 | 37% | 0.371 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.5 | -20.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T64 R70 | T64-G66 VanDerWaalsContact C-N 3.26Å; G66-R70 WeakPolarHBondContact O-CG 3.43Å; G66-R70 PolarHBondContact O-N 2.84Å |
| 67 | V | 52.3 | Low | 50.6 | Low | 88 Ų | 88 | 117 Ų | 117 | 53% | 0.533 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -87.6 | -30.4 | 176.6 | -65.6 | 0 | 0 | 0 | 0 | 112.8 | T64 Q65 A69 R70 L71 | T64-V67 WeakPolarHBondContact O-CG2 3.44Å; Q65-V67 VanDerWaalsContact C-N 3.33Å; Q65-V67 PolarHBondContact O-N 3.49Å; V67-A69 VanDerWaalsContact C-N 3.33Å; V67-R70 PolarHBondContact O-N 3.43Å; V67-L71 PolarHBondContact O-N 2.75Å |
| 68 | E | 51 | Low | 50.5 | Low | 133 Ų | 133 | 119.7 Ų | 119.7 | 62% | 0.621 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.9 | -39.6 | 168.5 | -74.1 | -173.1 | 102.7 | 0 | 0 | 110.9 | R70 L71 D72 | E68-R70 VanDerWaalsContact C-N 3.25Å; E68-R70 PolarHBondContact O-N 2.85Å; E68-L71 PolarHBondContact O-N 2.83Å; E68-D72 PolarHBondContact O-N 3.45Å |
| 69 | A | 51.1 | Low | 50.9 | Low | 68 Ų | 68 | 122 Ų | 122 | 56% | 0.562 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65 | -26.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q65 V67 | Q65-A69 PolarHBondContact O-N 3.38Å; V67-A69 VanDerWaalsContact C-N 3.33Å |
| 70 | R | 51 | Low | 50.9 | Low | 181 Ų | 181 | 121.6 Ų | 121.6 | 68% | 0.683 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -81.6 | -27.9 | 175.3 | -78.5 | -70.9 | -164.3 | 179.8 | 2.7 | 113.2 | G66 V67 E68 L74 | G66-R70 WeakPolarHBondContact O-CG 3.43Å; G66-R70 PolarHBondContact O-N 2.84Å; V67-R70 PolarHBondContact O-N 3.43Å; E68-R70 VanDerWaalsContact C-N 3.25Å; E68-R70 PolarHBondContact O-N 2.85Å; R70-L74 PolarHBondContact O-N 3.08Å |
| 71 | L | 54.3 | Low | 51 | Low | 122 Ų | 122 | 122.9 Ų | 122.9 | 64% | 0.639 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.2 | -35.4 | 175.2 | -77 | 168.3 | 0 | 0 | 0 | 111.5 | V67 E68 D73 L74 E75 | V67-L71 PolarHBondContact O-N 2.75Å; E68-L71 PolarHBondContact O-N 2.83Å; L71-D73 VanDerWaalsContact C-N 3.32Å; L71-D73 PolarHBondContact O-N 2.78Å; L71-L74 PolarHBondContact O-N 2.81Å; L71-E75 PolarHBondContact O-N 2.96Å |
| 72 | D | 54.5 | Low | 51.2 | Low | 115 Ų | 115 | 125.3 Ų | 125.3 | 62% | 0.615 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -64.5 | -36 | 173.5 | -162.9 | -99.8 | 0 | 0 | 0 | 112.3 | E68 L74 | E68-D72 PolarHBondContact O-N 3.45Å; D72-L74 VanDerWaalsContact C-N 3.3Å; D72-L74 PolarHBondContact O-N 3.39Å |
| 73 | D | 58.9 | Low | 51.3 | Low | 111 Ų | 111 | 128.5 Ų | 128.5 | 59% | 0.594 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.2 | -24.7 | 175.9 | -168.7 | -120.3 | 0 | 0 | 0 | 112.9 | L71 | L71-D73 VanDerWaalsContact C-N 3.32Å; L71-D73 PolarHBondContact O-N 2.78Å |
| 74 | L | 51.5 | Low | 51.1 | Low | 131 Ų | 131 | 130.2 Ų | 130.2 | 69% | 0.686 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -86.1 | -25.5 | -179.3 | -168.9 | 62.7 | 0 | 0 | 0 | 113.4 | R70 L71 D72 K76 | R70-L74 PolarHBondContact O-N 3.08Å; L71-L74 PolarHBondContact O-N 2.81Å; D72-L74 VanDerWaalsContact C-N 3.3Å; D72-L74 PolarHBondContact O-N 3.39Å; L74-K76 PolarHBondContact O-N 3.08Å |
| 75 | E | 58.3 | Low | 51 | Low | 176 Ų | 176 | 134.8 Ų | 134.8 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74 | -15.5 | 175.2 | -169.8 | 169.5 | 89.6 | 0 | 0 | 112.3 | L71 K77 | L71-E75 PolarHBondContact O-N 2.96Å; E75-K77 VanDerWaalsContact C-N 3.34Å; E75-K77 PolarHBondContact O-N 2.83Å |
| 76 | K | 48.6 | Very low | 51.2 | Low | 183 Ų | 183 | 133.4 Ų | 133.4 | 80% | 0.796 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 31.6 | -177.2 | -116.3 | -179.5 | -175.1 | 175.4 | 0 | 115.4 | L74 | L74-K76 PolarHBondContact O-N 3.08Š|
| 77 | K | 40.6 | Very low | 52 | Low | 257 Ų | 257 | 142.3 Ų | 142.3 | 100% | 1.117 | 70% | 0.697 | S | S | * | * | trans | -116.4 | 0 | 172.2 | -156.3 | 168.8 | -178.7 | -179.8 | 0 | 113.2 | E75 | E75-K77 VanDerWaalsContact C-N 3.34Å; E75-K77 PolarHBondContact O-N 2.83Å |
Retrieved 77 of 77 residues in 180.2 ms
(Link to these results)