| 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 | 73.7 | Confident | 87.3 | Confident | 191 Ų | 191 | 86.6 Ų | 86.6 | 94% | 0.941 | 44% | 0.443 | S | S | * | . | 0 | -47 | 0 | -155.8 | 59.7 | 163 | 0 | 0 | 112.4 | A3 R4 C5 | M1-A3 PolarHBondContact O-N 3.29Å; M1-R4 PolarHBondContact O-N 3.12Å; M1-R4 VanDerWaalsContact O-N 3.13Å; M1-C5 PolarHBondContact O-N 3.46Å | |||
| 2 | A | 82 | Confident | 87.5 | Confident | 75 Ų | 75 | 81.9 Ų | 81.9 | 62% | 0.62 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -52.9 | -49.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R4 C5 L6 | A2-R4 VanDerWaalsContact C-N 3.31Å; A2-R4 PolarHBondContact O-N 3.27Å; A2-C5 WeakPolarHBondContact O-CB 3.3Å; A2-C5 PolarHBondContact O-N 2.9Å; A2-L6 WeakPolarHBondContact O-CG 3.35Å; A2-L6 PolarHBondContact O-N 3.07Å |
| 3 | A | 85.4 | Confident | 87.4 | Confident | 38 Ų | 38 | 83.3 Ų | 83.3 | 31% | 0.314 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.6 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 L6 F7 I28 C32 | M1-A3 PolarHBondContact O-N 3.29Å; A3-L6 PolarHBondContact O-N 2.82Å; A3-F7 WeakPolarHBondContact O-CB 3.43Å; A3-F7 PolarHBondContact O-N 2.86Å; A3-I28 WeakPolarHBondContact O-CG2 3.19Å; A3-C32 VanDerWaalsContact C-SG 3.51Å; A3-C32 VanDerWaalsContact CB-SG 3.54Å |
| 4 | R | 89.6 | Confident | 87 | Confident | 91 Ų | 91 | 86.7 Ų | 86.7 | 34% | 0.343 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 175.1 | -67.3 | 178.8 | 68.4 | 126.1 | -2.8 | 111.9 | M1 A2 F7 Y8 C32 F34 | M1-R4 PolarHBondContact O-N 3.12Å; M1-R4 VanDerWaalsContact O-N 3.13Å; A2-R4 VanDerWaalsContact C-N 3.31Å; A2-R4 PolarHBondContact O-N 3.27Å; R4-F7 WeakPolarHBondContact O-CB 3.22Å; R4-F7 PolarHBondContact O-N 3.07Å; R4-Y8 HydrophobicContact CB-CE2 4.46Å; R4-Y8 WeakPolarHBondContact O-CD2 3.47Å; R4-Y8 PolarHBondContact O-N 3.35Å; R4-Y8 VanDerWaalsContact O-N 3.17Å; R4-C32 HydrophobicContact CG-CB 3.77Å; R4-F34 HydrophobicContact CB-CZ 4.37Å; R4-F34 HydrophobicContact CG-CE1 3.85Å; R4-F34 HydrophobicContact CG-CZ 3.86Å; R4-F34 VanDerWaalsContact CZ-CE1 3.44Å |
| 5 | C | 86.1 | Confident | 86.8 | Confident | 53 Ų | 53 | 87.1 Ų | 87.1 | 36% | 0.358 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 175.7 | -171.8 | 0 | 0 | 0 | 0 | 111.1 | M1 A2 F7 Y8 R9 | M1-C5 PolarHBondContact O-N 3.46Å; A2-C5 WeakPolarHBondContact O-CB 3.3Å; A2-C5 PolarHBondContact O-N 2.9Å; C5-F7 VanDerWaalsContact C-N 3.33Å; C5-F7 PolarHBondContact O-N 3.28Å; C5-Y8 PolarHBondContact O-N 3.11Å; C5-R9 WeakPolarHBondContact O-CB 3.34Å; C5-R9 WeakPolarHBondContact O-CG 3.27Å; C5-R9 PolarHBondContact O-N 3.04Å; C5-R9 VanDerWaalsContact O-N 3.12Å |
| 6 | L | 89 | Confident | 86.9 | Confident | 108 Ų | 108 | 82.9 Ų | 82.9 | 57% | 0.565 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.1 | -44.2 | 174.5 | -68.7 | 172.9 | 0 | 0 | 0 | 111.4 | A2 A3 Y8 R9 Q10 I28 | A2-L6 WeakPolarHBondContact O-CG 3.35Å; A2-L6 PolarHBondContact O-N 3.07Å; A3-L6 PolarHBondContact O-N 2.82Å; L6-Y8 PolarHBondContact O-N 3.25Å; L6-R9 PolarHBondContact O-N 3.11Å; L6-Q10 PolarHBondContact O-N 2.98Å; L6-Q10 VanDerWaalsContact O-N 3.09Å; L6-I28 HydrophobicContact CB-CG2 4.23Å |
| 7 | F | 93 | Very high | 87 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -55.7 | -49.4 | 178 | -178.9 | -88 | 0 | 0 | 0 | 112.7 | A3 R4 C5 R9 L25 I28 F34 L46 L49 I50 V53 | A3-F7 WeakPolarHBondContact O-CB 3.43Å; A3-F7 PolarHBondContact O-N 2.86Å; R4-F7 WeakPolarHBondContact O-CB 3.22Å; R4-F7 PolarHBondContact O-N 3.07Å; C5-F7 VanDerWaalsContact C-N 3.33Å; C5-F7 PolarHBondContact O-N 3.28Å; F7-R9 VanDerWaalsContact C-N 3.35Å; F7-L25 HydrophobicContact CD2-CD2 4.11Å; F7-L25 HydrophobicContact CE2-CB 4.17Å; F7-L25 HydrophobicContact CE2-CD2 4.12Å; F7-L25 WeakPolarHBondContact CE2-O 3.28Å; F7-I28 HydrophobicContact CB-CG2 3.88Å; F7-I28 HydrophobicContact CD2-CB 4.49Å; F7-I28 HydrophobicContact CD2-CG2 4.47Å; F7-F34 HydrophobicContact CB-CE2 4.47Å; F7-F34 HydrophobicContact CB-CZ 4.33Å; F7-F34 AromaticContact CD1-CE2 3.94Å; F7-F34 HydrophobicContact CD1-CE2 3.94Å; F7-F34 AromaticContact CD1-CZ 3.81Å; F7-F34 HydrophobicContact CD1-CZ 3.81Å; F7-F34 AromaticContact CD2-CE2 3.95Å; F7-F34 HydrophobicContact CD2-CE2 3.95Å; F7-F34 HydrophobicContact CE1-CE2 4.15Å; F7-F34 HydrophobicContact CE1-CZ 4.27Å; F7-F34 HydrophobicContact CE2-CE2 4.13Å; F7-F34 AromaticContact CG-CE2 3.84Å; F7-F34 HydrophobicContact CG-CE2 3.84Å; F7-F34 AromaticContact CG-CZ 3.96Å; F7-F34 HydrophobicContact CG-CZ 3.96Å; F7-F34 HydrophobicContact CZ-CE2 4.23Å; F7-L46 HydrophobicContact CE2-CD1 3.67Å; F7-L46 HydrophobicContact CZ-CD1 4.03Å; F7-L49 HydrophobicContact CE1-CB 3.71Å; F7-L49 HydrophobicContact CZ-CB 3.85Å; F7-I50 HydrophobicContact CE2-CG1 3.76Å; F7-I50 HydrophobicContact CZ-CB 4.44Å; F7-I50 HydrophobicContact CZ-CG1 3.62Å; F7-V53 HydrophobicContact CD1-CG2 3.95Å; F7-V53 HydrophobicContact CE1-CB 4.47Å; F7-V53 HydrophobicContact CE1-CG2 3.52Å; F7-V53 HydrophobicContact CZ-CG2 4.31Å |
| 8 | Y | 91.4 | Very high | 87.1 | Confident | 100 Ų | 100 | 76.2 Ų | 76.2 | 39% | 0.392 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -74.9 | -23 | -178.2 | -66.9 | -60.6 | 0 | 0 | 0 | 114 | R4 C5 L6 F34 L49 V53 N57 | R4-Y8 HydrophobicContact CB-CE2 4.46Å; R4-Y8 WeakPolarHBondContact O-CD2 3.47Å; R4-Y8 PolarHBondContact O-N 3.35Å; R4-Y8 VanDerWaalsContact O-N 3.17Å; C5-Y8 PolarHBondContact O-N 3.11Å; L6-Y8 PolarHBondContact O-N 3.25Å; Y8-F34 HydrophobicContact CE2-CE1 4.4Å; Y8-L49 HydrophobicContact CE1-CD2 4.36Å; Y8-V53 HydrophobicContact CD1-CG2 3.85Å; Y8-V53 HydrophobicContact CE1-CG2 4.48Å; Y8-N57 PolarHBondContact O-ND2 2.96Å |
| 9 | R | 90.7 | Very high | 87.2 | Confident | 191 Ų | 191 | 74.9 Ų | 74.9 | 72% | 0.721 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -90 | -7.4 | 179.6 | -74.2 | -177.4 | 171.9 | -176.3 | -2.9 | 113.8 | C5 L6 F7 C11 | C5-R9 WeakPolarHBondContact O-CB 3.34Å; C5-R9 WeakPolarHBondContact O-CG 3.27Å; C5-R9 PolarHBondContact O-N 3.04Å; C5-R9 VanDerWaalsContact O-N 3.12Å; L6-R9 PolarHBondContact O-N 3.11Å; F7-R9 VanDerWaalsContact C-N 3.35Å; R9-C11 PolarHBondContact O-N 3.44Å |
| 10 | Q | 90.5 | Very high | 87.4 | Confident | 47 Ų | 47 | 76.2 Ų | 76.2 | 22% | 0.22 | 43% | 0.431 | C | S | . | . | trans | -68 | 125.2 | -177.3 | -170.5 | 65.5 | -0.3 | 0 | 0 | 110.1 | L6 W21 L25 N57 | L6-Q10 PolarHBondContact O-N 2.98Å; L6-Q10 VanDerWaalsContact O-N 3.09Å; Q10-W21 WeakPolarHBondContact O-CZ2 2.96Å; Q10-L25 HydrophobicContact CB-CD2 3.76Å; Q10-L25 HydrophobicContact CG-CD2 4.08Å; Q10-N57 PolarHBondContact O-ND2 2.85Å | ||
| 11 | C | 89.2 | Confident | 87.7 | Confident | 59 Ų | 59 | 72.5 Ų | 72.5 | 40% | 0.399 | 41% | 0.41 | S | S | . | . | trans | -111.8 | 155.7 | 171.2 | -60.2 | 0 | 0 | 0 | 0 | 109.6 | R9 Q13 | R9-C11 PolarHBondContact O-N 3.44Å; C11-Q13 PolarHBondContact O-N 2.81Å; C11-Q13 PolarHBondContact O-NE2 2.84Å; C11-Q13 VanDerWaalsContact O-NE2 3.1Å | ||
| 12 | L | 89.4 | Confident | 88.6 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 124 | 171.4 | -171.8 | 66.5 | 0 | 0 | 0 | 109 | Q16 Y18 W21 P59 | L12-Q16 HydrophobicContact CD1-CB 4.01Å; L12-Q16 HydrophobicContact CD1-CG 3.95Å; L12-Q16 WeakPolarHBondContact CD1-O 3.47Å; L12-Y18 HydrophobicContact CD2-CD1 4.43Å; L12-Y18 HydrophobicContact CD2-CE1 3.99Å; L12-Y18 HydrophobicContact CD2-CE2 4.06Å; L12-W21 HydrophobicContact CB-CD2 4.05Å; L12-W21 HydrophobicContact CB-CE3 3.82Å; L12-W21 HydrophobicContact CB-CH2 4.42Å; L12-W21 HydrophobicContact CB-CZ3 4.01Å; L12-W21 HydrophobicContact CD1-CB 3.57Å; L12-W21 HydrophobicContact CD1-CD2 3.93Å; L12-W21 HydrophobicContact CD1-CE3 3.76Å; L12-W21 HydrophobicContact CD1-CG 3.9Å; L12-W21 HydrophobicContact CG-CE3 4.29Å; L12-P59 HydrophobicContact CB-CG 4.24Å; L12-P59 HydrophobicContact CD2-CG 3.95Å |
| 13 | Q | 86.7 | Confident | 89.2 | Confident | 100 Ų | 100 | 63.2 Ų | 63.2 | 47% | 0.467 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 151.2 | 177.8 | -59.7 | -59.2 | -62.4 | 0 | 0 | 110.7 | C11 G15 Q16 | C11-Q13 PolarHBondContact O-N 2.81Å; C11-Q13 PolarHBondContact O-NE2 2.84Å; C11-Q13 VanDerWaalsContact O-NE2 3.1Å; Q13-G15 PolarHBondContact O-N 3.02Å; Q13-Q16 HydrophobicContact CB-CB 4.02Å; Q13-Q16 VanDerWaalsContact N-OE1 3.16Å; Q13-Q16 VanDerWaalsContact O-CB 3.23Å; Q13-Q16 WeakPolarHBondContact O-CB 3.4Å; Q13-Q16 PolarHBondContact O-N 2.86Å |
| 14 | P | 82.2 | Confident | 89.5 | Confident | 131 Ų | 131 | 64.4 Ų | 64.4 | 85% | 0.851 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 124.2 | 174.4 | -25.5 | 34.4 | 0 | 0 | 0 | 111.6 | Q16 | P14-Q16 VanDerWaalsContact C-N 3.28Å; P14-Q16 PolarHBondContact O-N 2.8Å |
| 15 | G | 83.1 | Confident | 89.8 | Confident | 92 Ų | 92 | 60 Ų | 60 | 95% | 0.948 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | -5.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q13 | Q13-G15 PolarHBondContact O-N 3.02Š|
| 16 | Q | 88.4 | Confident | 90.1 | Very high | 20 Ų | 20 | 62.1 Ų | 62.1 | 9% | 0.093 | 35% | 0.347 | C | S | . | . | trans | -73.9 | 136.4 | 175.1 | -179.2 | 169.4 | 57.6 | 0 | 0 | 110.9 | L12 Q13 P14 E20 W21 N24 | L12-Q16 HydrophobicContact CD1-CB 4.01Å; L12-Q16 HydrophobicContact CD1-CG 3.95Å; L12-Q16 WeakPolarHBondContact CD1-O 3.47Å; Q13-Q16 HydrophobicContact CB-CB 4.02Å; Q13-Q16 VanDerWaalsContact N-OE1 3.16Å; Q13-Q16 VanDerWaalsContact O-CB 3.23Å; Q13-Q16 WeakPolarHBondContact O-CB 3.4Å; Q13-Q16 PolarHBondContact O-N 2.86Å; P14-Q16 VanDerWaalsContact C-N 3.28Å; P14-Q16 PolarHBondContact O-N 2.8Å; Q16-E20 HydrophobicContact CG-CB 4.04Å; Q16-E20 HydrophobicContact CG-CG 4.36Å; Q16-E20 PolarHBondContact NE2-OE1 3.11Å; Q16-W21 HydrophobicContact CG-CB 4.42Å; Q16-N24 PolarHBondContact NE2-ND2 3.14Å | ||
| 17 | A | 88 | Confident | 90.3 | Very high | 35 Ų | 35 | 59.2 Ų | 59.2 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | trans | -77.2 | 147.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A19 E20 W21 E86 | A17-A19 PolarHBondContact O-N 2.94Å; A17-E20 WeakPolarHBondContact O-CB 3.31Å; A17-E20 PolarHBondContact O-N 3.14Å; A17-W21 PolarHBondContact O-N 3.41Å; A17-E86 WeakPolarHBondContact CA-OE1 3.19Å | ||
| 18 | Y | 89 | Confident | 90.2 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56.5 | -37.9 | 177.1 | -81.5 | -81.1 | 0 | 0 | 0 | 112.9 | L12 E20 W21 V22 M58 A82 E86 | L12-Y18 HydrophobicContact CD2-CD1 4.43Å; L12-Y18 HydrophobicContact CD2-CE1 3.99Å; L12-Y18 HydrophobicContact CD2-CE2 4.06Å; Y18-E20 VanDerWaalsContact C-N 3.29Å; Y18-E20 PolarHBondContact O-N 3.19Å; Y18-W21 AromaticContact CD1-CE3 3.76Å; Y18-W21 HydrophobicContact CD1-CE3 3.76Å; Y18-W21 HydrophobicContact CD1-CZ3 4.1Å; Y18-W21 AromaticContact CE1-CE3 3.96Å; Y18-W21 HydrophobicContact CE1-CE3 3.96Å; Y18-W21 AromaticContact CE1-CZ3 3.85Å; Y18-W21 HydrophobicContact CE1-CZ3 3.85Å; Y18-W21 PolarHBondContact O-N 2.82Å; Y18-V22 VanDerWaalsContact O-CG2 3.26Å; Y18-V22 WeakPolarHBondContact O-CG2 3.41Å; Y18-V22 PolarHBondContact O-N 3.35Å; Y18-M58 HydrophobicContact CD1-CE 4.49Å; Y18-M58 HydrophobicContact CE1-CE 3.67Å; Y18-M58 HydrophobicContact CE1-CG 4.28Å; Y18-M58 WeakPolarHBondContact OH-CG 3.11Å; Y18-A82 HydrophobicContact CD1-CB 3.67Å; Y18-A82 HydrophobicContact CD2-CB 3.52Å; Y18-A82 HydrophobicContact CE1-CB 3.9Å; Y18-A82 HydrophobicContact CE2-CB 3.8Å; Y18-A82 HydrophobicContact CG-CB 3.5Å; Y18-E86 HydrophobicContact CD2-CG 3.7Å; Y18-E86 WeakPolarHBondContact CD2-OE1 3.27Å; Y18-E86 HydrophobicContact CE2-CG 4.03Å; Y18-E86 PolarHBondContact N-OE1 3.45Å |
| 19 | A | 88.9 | Confident | 90.2 | Very high | 53 Ų | 53 | 56.9 Ų | 56.9 | 44% | 0.438 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A17 A23 | A17-A19 PolarHBondContact O-N 2.94Å; A19-A23 PolarHBondContact O-N 2.95Å; A19-A23 VanDerWaalsContact O-N 3.07Å |
| 20 | E | 91.9 | Very high | 90 | Very high | 99 Ų | 99 | 55.8 Ų | 55.8 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.9 | -41.1 | 176.1 | -164.5 | -158.8 | 130.9 | 0 | 0 | 111.1 | Q16 A17 Y18 V22 A23 N24 | Q16-E20 HydrophobicContact CG-CB 4.04Å; Q16-E20 HydrophobicContact CG-CG 4.36Å; Q16-E20 PolarHBondContact NE2-OE1 3.11Å; A17-E20 WeakPolarHBondContact O-CB 3.31Å; A17-E20 PolarHBondContact O-N 3.14Å; Y18-E20 VanDerWaalsContact C-N 3.29Å; Y18-E20 PolarHBondContact O-N 3.19Å; E20-V22 PolarHBondContact O-N 3.29Å; E20-A23 WeakPolarHBondContact O-CB 3.31Å; E20-A23 PolarHBondContact O-N 3.07Å; E20-A23 VanDerWaalsContact O-N 3.16Å; E20-N24 WeakPolarHBondContact O-CB 3.12Å; E20-N24 PolarHBondContact O-N 3.13Å; E20-N24 PolarHBondContact O-ND2 2.92Å |
| 21 | W | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 175.5 | -176 | 29 | 0 | 0 | 0 | 112.3 | Q10 L12 Q16 A17 Y18 A23 N24 L25 V53 I54 N57 | Q10-W21 WeakPolarHBondContact O-CZ2 2.96Å; L12-W21 HydrophobicContact CB-CD2 4.05Å; L12-W21 HydrophobicContact CB-CE3 3.82Å; L12-W21 HydrophobicContact CB-CH2 4.42Å; L12-W21 HydrophobicContact CB-CZ3 4.01Å; L12-W21 HydrophobicContact CD1-CB 3.57Å; L12-W21 HydrophobicContact CD1-CD2 3.93Å; L12-W21 HydrophobicContact CD1-CE3 3.76Å; L12-W21 HydrophobicContact CD1-CG 3.9Å; L12-W21 HydrophobicContact CG-CE3 4.29Å; Q16-W21 HydrophobicContact CG-CB 4.42Å; A17-W21 PolarHBondContact O-N 3.41Å; Y18-W21 AromaticContact CD1-CE3 3.76Å; Y18-W21 HydrophobicContact CD1-CE3 3.76Å; Y18-W21 HydrophobicContact CD1-CZ3 4.1Å; Y18-W21 AromaticContact CE1-CE3 3.96Å; Y18-W21 HydrophobicContact CE1-CE3 3.96Å; Y18-W21 AromaticContact CE1-CZ3 3.85Å; Y18-W21 HydrophobicContact CE1-CZ3 3.85Å; Y18-W21 PolarHBondContact O-N 2.82Å; W21-A23 VanDerWaalsContact C-N 3.33Å; W21-A23 PolarHBondContact O-N 3.26Å; W21-N24 PolarHBondContact O-N 3.33Å; W21-L25 HydrophobicContact CD2-CD1 4.39Å; W21-L25 HydrophobicContact CG-CD1 4.42Å; W21-L25 HydrophobicContact CZ2-CD1 4.48Å; W21-L25 WeakPolarHBondContact O-CG 3.33Å; W21-L25 PolarHBondContact O-N 2.74Å; W21-V53 HydrophobicContact CZ2-CG1 4.33Å; W21-I54 HydrophobicContact CD2-CG1 4.43Å; W21-I54 HydrophobicContact CE3-CG1 4.09Å; W21-I54 HydrophobicContact CH2-CB 4.36Å; W21-I54 HydrophobicContact CH2-CG1 4.24Å; W21-I54 HydrophobicContact CZ3-CB 4.2Å; W21-I54 HydrophobicContact CZ3-CG1 4Å; W21-I54 HydrophobicContact CZ3-CG2 4Å; W21-N57 HydrophobicContact CH2-CB 4.04Å; W21-N57 HydrophobicContact CZ2-CB 4.04Å |
| 22 | V | 93.6 | Very high | 89.5 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 172.7 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | Y18 E20 N24 L25 R26 I50 I54 L75 | Y18-V22 VanDerWaalsContact O-CG2 3.26Å; Y18-V22 WeakPolarHBondContact O-CG2 3.41Å; Y18-V22 PolarHBondContact O-N 3.35Å; E20-V22 PolarHBondContact O-N 3.29Å; V22-N24 PolarHBondContact O-N 3.46Å; V22-L25 PolarHBondContact O-N 3.09Å; V22-R26 WeakPolarHBondContact O-CG 3.49Å; V22-R26 PolarHBondContact O-N 3.29Å; V22-I50 HydrophobicContact CG1-CG2 4.44Å; V22-I54 HydrophobicContact CG2-CD1 3.45Å; V22-I54 VanDerWaalsContact CG2-CD1 3.45Å; V22-L75 HydrophobicContact CG1-CD2 4.46Å |
| 23 | A | 93.7 | Very high | 89.3 | Confident | 56 Ų | 56 | 63.7 Ų | 63.7 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | A19 E20 W21 R26 G27 | A19-A23 PolarHBondContact O-N 2.95Å; A19-A23 VanDerWaalsContact O-N 3.07Å; E20-A23 WeakPolarHBondContact O-CB 3.31Å; E20-A23 PolarHBondContact O-N 3.07Å; E20-A23 VanDerWaalsContact O-N 3.16Å; W21-A23 VanDerWaalsContact C-N 3.33Å; W21-A23 PolarHBondContact O-N 3.26Å; A23-R26 WeakPolarHBondContact O-CB 3.39Å; A23-R26 PolarHBondContact O-N 2.85Å; A23-G27 PolarHBondContact O-N 2.89Å |
| 24 | N | 92.6 | Very high | 89.4 | Confident | 62 Ų | 62 | 59.3 Ų | 59.3 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 176.3 | -74.2 | -32.4 | 0 | 0 | 0 | 112 | Q16 E20 W21 V22 R26 G27 I28 | Q16-N24 PolarHBondContact NE2-ND2 3.14Å; E20-N24 WeakPolarHBondContact O-CB 3.12Å; E20-N24 PolarHBondContact O-N 3.13Å; E20-N24 PolarHBondContact O-ND2 2.92Å; W21-N24 PolarHBondContact O-N 3.33Å; V22-N24 PolarHBondContact O-N 3.46Å; N24-R26 VanDerWaalsContact C-N 3.35Å; N24-R26 PolarHBondContact O-N 3.3Å; N24-G27 PolarHBondContact O-N 2.87Å; N24-G27 VanDerWaalsContact O-N 3.15Å; N24-I28 WeakPolarHBondContact O-CG1 3.39Å; N24-I28 PolarHBondContact O-N 3.04Å |
| 25 | L | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 174.5 | -75.3 | 172.1 | 0 | 0 | 0 | 112.2 | F7 Q10 W21 V22 G27 I28 G29 I50 V53 I54 | F7-L25 HydrophobicContact CD2-CD2 4.11Å; F7-L25 HydrophobicContact CE2-CB 4.17Å; F7-L25 HydrophobicContact CE2-CD2 4.12Å; F7-L25 WeakPolarHBondContact CE2-O 3.28Å; Q10-L25 HydrophobicContact CB-CD2 3.76Å; Q10-L25 HydrophobicContact CG-CD2 4.08Å; W21-L25 HydrophobicContact CD2-CD1 4.39Å; W21-L25 HydrophobicContact CG-CD1 4.42Å; W21-L25 HydrophobicContact CZ2-CD1 4.48Å; W21-L25 WeakPolarHBondContact O-CG 3.33Å; W21-L25 PolarHBondContact O-N 2.74Å; V22-L25 PolarHBondContact O-N 3.09Å; L25-G27 VanDerWaalsContact C-N 3.31Å; L25-G27 PolarHBondContact O-N 3.18Å; L25-I28 PolarHBondContact O-N 2.99Å; L25-G29 PolarHBondContact O-N 3.38Å; L25-I50 HydrophobicContact CB-CD1 4.25Å; L25-I50 HydrophobicContact CB-CG1 4.05Å; L25-I50 HydrophobicContact CB-CG2 4.2Å; L25-I50 HydrophobicContact CD1-CG2 3.93Å; L25-V53 HydrophobicContact CD1-CB 4.48Å; L25-V53 HydrophobicContact CD1-CG1 3.99Å; L25-V53 HydrophobicContact CD2-CG1 3.89Å; L25-I54 HydrophobicContact CD1-CD1 4.36Å; L25-I54 HydrophobicContact CD1-CG1 3.88Å |
| 26 | R | 94.2 | Very high | 89.9 | Confident | 97 Ų | 97 | 55.6 Ų | 55.6 | 37% | 0.366 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 173.6 | -73.5 | -179.1 | -178.7 | -76 | 2 | 111.5 | V22 A23 N24 K30 D47 I50 L75 | V22-R26 WeakPolarHBondContact O-CG 3.49Å; V22-R26 PolarHBondContact O-N 3.29Å; A23-R26 WeakPolarHBondContact O-CB 3.39Å; A23-R26 PolarHBondContact O-N 2.85Å; N24-R26 VanDerWaalsContact C-N 3.35Å; N24-R26 PolarHBondContact O-N 3.3Å; R26-K30 PolarHBondContact O-N 3.32Å; R26-K30 VanDerWaalsContact O-N 3.13Å; R26-D47 IonicContact CZ-OD1 3.48Å; R26-D47 IonicContact CZ-OD2 3.08Å; R26-D47 VanDerWaalsContact NH1-CG 3.35Å; R26-D47 IonicContact NH1-OD1 2.68Å; R26-D47 PolarHBondContact NH1-OD1 2.93Å; R26-D47 IonicContact NH1-OD2 3.78Å; R26-D47 PolarHBondContact NH1-OD2 3.28Å; R26-D47 IonicContact NH2-OD1 3.53Å; R26-D47 IonicContact NH2-OD2 2.66Å; R26-D47 PolarHBondContact NH2-OD2 3.02Å; R26-I50 HydrophobicContact CB-CD1 4.2Å; R26-I50 HydrophobicContact CG-CD1 3.33Å; R26-L75 VanDerWaalsContact NH2-CD2 3.28Å |
| 27 | G | 92.5 | Very high | 89.7 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 49% | 0.485 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.2 | -53.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A23 N24 L25 G29 K30 | A23-G27 PolarHBondContact O-N 2.89Å; N24-G27 PolarHBondContact O-N 2.87Å; N24-G27 VanDerWaalsContact O-N 3.15Å; L25-G27 VanDerWaalsContact C-N 3.31Å; L25-G27 PolarHBondContact O-N 3.18Å; G27-G29 VanDerWaalsContact C-N 3.32Å; G27-G29 PolarHBondContact O-N 3.21Å; G27-K30 WeakPolarHBondContact O-CB 3.33Å; G27-K30 PolarHBondContact O-N 3.27Å |
| 28 | I | 90.8 | Very high | 89.6 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 25% | 0.246 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 179.5 | -60.3 | 164.8 | 0 | 0 | 0 | 111.2 | A3 L6 F7 N24 L25 K30 C32 | A3-I28 WeakPolarHBondContact O-CG2 3.19Å; L6-I28 HydrophobicContact CB-CG2 4.23Å; F7-I28 HydrophobicContact CB-CG2 3.88Å; F7-I28 HydrophobicContact CD2-CB 4.49Å; F7-I28 HydrophobicContact CD2-CG2 4.47Å; N24-I28 WeakPolarHBondContact O-CG1 3.39Å; N24-I28 PolarHBondContact O-N 3.04Å; L25-I28 PolarHBondContact O-N 2.99Å; I28-K30 VanDerWaalsContact C-N 3.34Å; I28-K30 PolarHBondContact O-N 3.25Å; I28-C32 PolarHBondContact O-SG 3.06Å |
| 29 | G | 91 | Very high | 89.2 | Confident | 3 Ų | 3 | 71.8 Ų | 71.8 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -76.9 | -15.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L25 G27 D31 C32 | L25-G29 PolarHBondContact O-N 3.38Å; G27-G29 VanDerWaalsContact C-N 3.32Å; G27-G29 PolarHBondContact O-N 3.21Å; G29-D31 VanDerWaalsContact C-N 3.28Å; G29-D31 PolarHBondContact O-N 3.48Å; G29-C32 WeakPolarHBondContact O-CB 3.28Å; G29-C32 PolarHBondContact O-N 2.99Å; G29-C32 VanDerWaalsContact O-N 3.14Å |
| 30 | K | 87.5 | Confident | 89.1 | Confident | 168 Ų | 168 | 78.6 Ų | 78.6 | 73% | 0.73 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -41.3 | -177 | -170.7 | 178.6 | 178.2 | -176.4 | 0 | 112.7 | R26 G27 I28 | R26-K30 PolarHBondContact O-N 3.32Å; R26-K30 VanDerWaalsContact O-N 3.13Å; G27-K30 WeakPolarHBondContact O-CB 3.33Å; G27-K30 PolarHBondContact O-N 3.27Å; I28-K30 VanDerWaalsContact C-N 3.34Å; I28-K30 PolarHBondContact O-N 3.25Å |
| 31 | D | 83.1 | Confident | 88.8 | Confident | 132 Ų | 132 | 76 Ų | 76 | 71% | 0.706 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 3.5 | -176.6 | -57.9 | -35.3 | 0 | 0 | 0 | 113.2 | G29 Q33 | G29-D31 VanDerWaalsContact C-N 3.28Å; G29-D31 PolarHBondContact O-N 3.48Å; D31-Q33 VanDerWaalsContact C-N 3.32Å; D31-Q33 PolarHBondContact O-N 3.47Å |
| 32 | C | 85.7 | Confident | 88.1 | Confident | 9 Ų | 9 | 78.8 Ų | 78.8 | 6% | 0.061 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -5.3 | -175.6 | -74.9 | 0 | 0 | 0 | 0 | 114.6 | A3 R4 I28 G29 F34 | A3-C32 VanDerWaalsContact C-SG 3.51Å; A3-C32 VanDerWaalsContact CB-SG 3.54Å; R4-C32 HydrophobicContact CG-CB 3.77Å; I28-C32 PolarHBondContact O-SG 3.06Å; G29-C32 WeakPolarHBondContact O-CB 3.28Å; G29-C32 PolarHBondContact O-N 2.99Å; G29-C32 VanDerWaalsContact O-N 3.14Å; C32-F34 VanDerWaalsContact C-N 3.28Å; C32-F34 HydrophobicContact CB-CD1 4.27Å; C32-F34 HydrophobicContact CB-CD2 3.48Å; C32-F34 VanDerWaalsContact CB-CD2 3.48Å; C32-F34 HydrophobicContact CB-CE1 4.05Å; C32-F34 HydrophobicContact CB-CE2 3.21Å; C32-F34 HydrophobicContact CB-CG 4.03Å; C32-F34 HydrophobicContact CB-CZ 3.53Å; C32-F34 PolarHBondContact O-N 3.18Å |
| 33 | Q | 85.7 | Confident | 87.6 | Confident | 160 Ų | 160 | 85.2 Ų | 85.2 | 75% | 0.748 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 46.6 | -176.8 | -60.8 | 179.8 | -4.6 | 0 | 0 | 112.5 | D31 L35 | D31-Q33 VanDerWaalsContact C-N 3.32Å; D31-Q33 PolarHBondContact O-N 3.47Å; Q33-L35 PolarHBondContact O-N 2.91Å |
| 34 | F | 88.9 | Confident | 87.4 | Confident | 9 Ų | 9 | 86.3 Ų | 86.3 | 4% | 0.039 | 46% | 0.457 | C | S | . | . | trans | -72.9 | 96.3 | 174.7 | -65.5 | -55.5 | 0 | 0 | 0 | 110.1 | R4 F7 Y8 C32 Y45 L46 L49 | R4-F34 HydrophobicContact CB-CZ 4.37Å; R4-F34 HydrophobicContact CG-CE1 3.85Å; R4-F34 HydrophobicContact CG-CZ 3.86Å; R4-F34 VanDerWaalsContact CZ-CE1 3.44Å; F7-F34 HydrophobicContact CB-CE2 4.47Å; F7-F34 HydrophobicContact CB-CZ 4.33Å; F7-F34 AromaticContact CD1-CE2 3.94Å; F7-F34 HydrophobicContact CD1-CE2 3.94Å; F7-F34 AromaticContact CD1-CZ 3.81Å; F7-F34 HydrophobicContact CD1-CZ 3.81Å; F7-F34 AromaticContact CD2-CE2 3.95Å; F7-F34 HydrophobicContact CD2-CE2 3.95Å; F7-F34 HydrophobicContact CE1-CE2 4.15Å; F7-F34 HydrophobicContact CE1-CZ 4.27Å; F7-F34 HydrophobicContact CE2-CE2 4.13Å; F7-F34 AromaticContact CG-CE2 3.84Å; F7-F34 HydrophobicContact CG-CE2 3.84Å; F7-F34 AromaticContact CG-CZ 3.96Å; F7-F34 HydrophobicContact CG-CZ 3.96Å; F7-F34 HydrophobicContact CZ-CE2 4.23Å; Y8-F34 HydrophobicContact CE2-CE1 4.4Å; C32-F34 VanDerWaalsContact C-N 3.28Å; C32-F34 HydrophobicContact CB-CD1 4.27Å; C32-F34 HydrophobicContact CB-CD2 3.48Å; C32-F34 VanDerWaalsContact CB-CD2 3.48Å; C32-F34 HydrophobicContact CB-CE1 4.05Å; C32-F34 HydrophobicContact CB-CE2 3.21Å; C32-F34 HydrophobicContact CB-CG 4.03Å; C32-F34 HydrophobicContact CB-CZ 3.53Å; C32-F34 PolarHBondContact O-N 3.18Å; F34-Y45 PolarHBondContact O-N 3.45Å; F34-L46 HydrophobicContact CD2-CD1 3.79Å; F34-L46 HydrophobicContact CE2-CD1 4.24Å; F34-L49 HydrophobicContact CB-CD1 3.61Å; F34-L49 HydrophobicContact CD1-CD1 3.17Å; F34-L49 HydrophobicContact CD2-CD1 3.8Å; F34-L49 HydrophobicContact CE1-CD1 3.6Å; F34-L49 HydrophobicContact CE2-CD1 4.16Å; F34-L49 HydrophobicContact CG-CD1 3.26Å; F34-L49 HydrophobicContact CZ-CD1 4.07Å | ||
| 35 | L | 88.1 | Confident | 87.3 | Confident | 112 Ų | 112 | 86.6 Ų | 86.6 | 59% | 0.586 | 45% | 0.454 | S | S | * | . | B | Isolated β-bridge | trans | -103.4 | 151.5 | -179.6 | -62.5 | 174.9 | 0 | 0 | 0 | 111.2 | Q33 | Q33-L35 PolarHBondContact O-N 2.91Å |
| 36 | C | 86.9 | Confident | 87.2 | Confident | 33 Ų | 33 | 87.5 Ų | 87.5 | 22% | 0.223 | 46% | 0.458 | C | S | . | . | trans | -55.5 | 135.8 | 174.4 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | D38 C41 K43 | C36-D38 PolarHBondContact O-N 2.9Å; C36-D38 VanDerWaalsContact O-N 3.16Å; C36-C41 HydrophobicContact CB-CB 3.79Å; C36-K43 PolarHBondContact N-O 3.08Å | ||
| 37 | P | 84.4 | Confident | 87.1 | Confident | 106 Ų | 106 | 85.9 Ų | 85.9 | 69% | 0.688 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -58.3 | -27.1 | 178.3 | -25.7 | 33.7 | 0 | 0 | 0 | 114 | K39 | P37-K39 PolarHBondContact O-N 3.35Š|
| 38 | D | 86.5 | Confident | 87.1 | Confident | 88 Ų | 88 | 89.3 Ų | 89.3 | 47% | 0.471 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -74.4 | 112 | 171.8 | -176.3 | -2 | 0 | 0 | 0 | 110.2 | C36 K40 C41 | C36-D38 PolarHBondContact O-N 2.9Å; C36-D38 VanDerWaalsContact O-N 3.16Å; D38-K40 PolarHBondContact O-N 3.11Å; D38-K40 WeakPolarHBondContact OD1-CB 3.33Å; D38-K40 PolarHBondContact OD1-N 3.35Å; D38-C41 HydrophobicContact CB-CB 3.96Å; D38-C41 WeakPolarHBondContact O-CB 3.16Å; D38-C41 PolarHBondContact O-N 3.12Å |
| 39 | K | 80.4 | Confident | 87.3 | Confident | 211 Ų | 211 | 87.9 Ų | 87.9 | 92% | 0.917 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25 | 177.8 | -65.4 | -174.3 | 179.6 | -178.1 | 0 | 113.1 | P37 | P37-K39 PolarHBondContact O-N 3.35Š|
| 40 | K | 85.2 | Confident | 87.5 | Confident | 195 Ų | 195 | 87.8 Ų | 87.8 | 85% | 0.848 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -21.6 | 177.7 | -62.1 | -177.6 | -179.6 | -180 | 0 | 113.1 | D38 | D38-K40 PolarHBondContact O-N 3.11Å; D38-K40 WeakPolarHBondContact OD1-CB 3.33Å; D38-K40 PolarHBondContact OD1-N 3.35Å |
| 41 | C | 85.7 | Confident | 87.8 | Confident | 46 Ų | 46 | 81.1 Ų | 81.1 | 31% | 0.311 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -45.8 | -172.8 | -178.6 | 0 | 0 | 0 | 0 | 112 | C36 D38 K43 | C36-C41 HydrophobicContact CB-CB 3.79Å; D38-C41 HydrophobicContact CB-CB 3.96Å; D38-C41 WeakPolarHBondContact O-CB 3.16Å; D38-C41 PolarHBondContact O-N 3.12Å; C41-K43 PolarHBondContact O-N 2.65Å |
| 42 | G | 78.8 | Confident | 88.3 | Confident | 58 Ų | 58 | 77.7 Ų | 77.7 | 60% | 0.598 | 40% | 0.4 | S | S | * | . | trans | 62.5 | -2.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 43 | K | 84.7 | Confident | 88.7 | Confident | 150 Ų | 150 | 77.6 Ų | 77.6 | 65% | 0.652 | 40% | 0.398 | S | S | * | . | trans | -74.6 | 151.9 | -179.2 | -63 | -179.6 | -174.3 | 179.1 | 0 | 111.2 | C36 C41 Y45 | C36-K43 PolarHBondContact N-O 3.08Å; C41-K43 PolarHBondContact O-N 2.65Å; K43-Y45 PolarHBondContact O-N 3.34Å | ||
| 44 | S | 87.6 | Confident | 89 | Confident | 79 Ų | 79 | 70 Ų | 70 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | B | Isolated β-bridge | trans | -58.8 | 131.2 | 169.2 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | L46 | S44-L46 VanDerWaalsContact OG-CB 3.25Å; S44-L46 WeakPolarHBondContact OG-CB 2.83Å; S44-L46 PolarHBondContact OG-N 3.06Å |
| 45 | Y | 91 | Very high | 89.1 | Confident | 68 Ų | 68 | 70.6 Ų | 70.6 | 27% | 0.267 | 37% | 0.367 | S | S | . | . | trans | -99.1 | 8.2 | 173.9 | -159.1 | -113.3 | 0 | 0 | 0 | 111.7 | F34 K43 D47 Y48 L49 | F34-Y45 PolarHBondContact O-N 3.45Å; K43-Y45 PolarHBondContact O-N 3.34Å; Y45-D47 PolarHBondContact O-N 3.45Å; Y45-Y48 AromaticContact CD2-CD2 3.73Å; Y45-Y48 HydrophobicContact CD2-CD2 3.73Å; Y45-Y48 HydrophobicContact CD2-CE2 4.47Å; Y45-Y48 HydrophobicContact CD2-CG 4.15Å; Y45-Y48 AromaticContact CE2-CD2 3.83Å; Y45-Y48 HydrophobicContact CE2-CD2 3.83Å; Y45-Y48 AromaticContact CE2-CG 3.85Å; Y45-Y48 HydrophobicContact CE2-CG 3.85Å; Y45-Y48 HydrophobicContact CG-CD2 4.46Å; Y45-Y48 PolarHBondContact O-N 3.03Å; Y45-L49 HydrophobicContact CD1-CD1 4.12Å; Y45-L49 HydrophobicContact CD1-CD2 3.97Å; Y45-L49 HydrophobicContact CD1-CG 3.71Å; Y45-L49 HydrophobicContact CE1-CD2 3.94Å; Y45-L49 HydrophobicContact CE1-CG 4.12Å; Y45-L49 WeakPolarHBondContact O-CG 3.23Å; Y45-L49 PolarHBondContact O-N 2.95Å | ||
| 46 | L | 92.8 | Very high | 89.3 | Confident | 18 Ų | 18 | 70.1 Ų | 70.1 | 9% | 0.094 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.5 | -50.2 | -173.5 | 178.2 | 58.7 | 0 | 0 | 0 | 112.3 | F7 F34 S44 Y48 L49 I50 | F7-L46 HydrophobicContact CE2-CD1 3.67Å; F7-L46 HydrophobicContact CZ-CD1 4.03Å; F34-L46 HydrophobicContact CD2-CD1 3.79Å; F34-L46 HydrophobicContact CE2-CD1 4.24Å; S44-L46 VanDerWaalsContact OG-CB 3.25Å; S44-L46 WeakPolarHBondContact OG-CB 2.83Å; S44-L46 PolarHBondContact OG-N 3.06Å; L46-Y48 VanDerWaalsContact C-N 3.27Å; L46-Y48 PolarHBondContact O-N 3.26Å; L46-L49 CarbonylContact O-C 3.24Å; L46-L49 WeakPolarHBondContact O-CB 3.29Å; L46-L49 PolarHBondContact O-N 3.14Å; L46-I50 HydrophobicContact CD1-CD1 3.88Å; L46-I50 HydrophobicContact CD1-CG1 3.91Å; L46-I50 HydrophobicContact CD2-CD1 4.42Å; L46-I50 HydrophobicContact CG-CD1 3.76Å; L46-I50 HydrophobicContact CG-CG1 4.19Å; L46-I50 WeakPolarHBondContact O-CG1 3.06Å; L46-I50 PolarHBondContact O-N 3.27Å |
| 47 | D | 92.7 | Very high | 89.4 | Confident | 64 Ų | 64 | 70.4 Ų | 70.4 | 34% | 0.342 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.9 | -34.3 | -176 | -76 | 34.7 | 0 | 0 | 0 | 113 | R26 Y45 I50 R51 L75 | R26-D47 IonicContact CZ-OD1 3.48Å; R26-D47 IonicContact CZ-OD2 3.08Å; R26-D47 VanDerWaalsContact NH1-CG 3.35Å; R26-D47 IonicContact NH1-OD1 2.68Å; R26-D47 PolarHBondContact NH1-OD1 2.93Å; R26-D47 IonicContact NH1-OD2 3.78Å; R26-D47 PolarHBondContact NH1-OD2 3.28Å; R26-D47 IonicContact NH2-OD1 3.53Å; R26-D47 IonicContact NH2-OD2 2.66Å; R26-D47 PolarHBondContact NH2-OD2 3.02Å; Y45-D47 PolarHBondContact O-N 3.45Å; D47-I50 PolarHBondContact O-N 3.49Å; D47-R51 WeakPolarHBondContact O-CB 3.41Å; D47-R51 PolarHBondContact O-N 3.28Å; D47-L75 HydrophobicContact CB-CD2 4.02Å |
| 48 | Y | 92.7 | Very high | 89.5 | Confident | 118 Ų | 118 | 65.7 Ų | 65.7 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 174 | -67.6 | -82.5 | 0 | 0 | 0 | 111.3 | Y45 L46 R51 D52 | Y45-Y48 AromaticContact CD2-CD2 3.73Å; Y45-Y48 HydrophobicContact CD2-CD2 3.73Å; Y45-Y48 HydrophobicContact CD2-CE2 4.47Å; Y45-Y48 HydrophobicContact CD2-CG 4.15Å; Y45-Y48 AromaticContact CE2-CD2 3.83Å; Y45-Y48 HydrophobicContact CE2-CD2 3.83Å; Y45-Y48 AromaticContact CE2-CG 3.85Å; Y45-Y48 HydrophobicContact CE2-CG 3.85Å; Y45-Y48 HydrophobicContact CG-CD2 4.46Å; Y45-Y48 PolarHBondContact O-N 3.03Å; L46-Y48 VanDerWaalsContact C-N 3.27Å; L46-Y48 PolarHBondContact O-N 3.26Å; Y48-R51 WeakPolarHBondContact O-CB 3.32Å; Y48-R51 PolarHBondContact O-N 2.75Å; Y48-D52 PolarHBondContact O-N 2.92Å |
| 49 | L | 93.9 | Very high | 89.4 | Confident | 19 Ų | 19 | 64.5 Ų | 64.5 | 10% | 0.099 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.7 | -36.2 | 177.2 | -65.2 | 175.2 | 0 | 0 | 0 | 112.4 | F7 Y8 F34 Y45 L46 R51 D52 V53 | F7-L49 HydrophobicContact CE1-CB 3.71Å; F7-L49 HydrophobicContact CZ-CB 3.85Å; Y8-L49 HydrophobicContact CE1-CD2 4.36Å; F34-L49 HydrophobicContact CB-CD1 3.61Å; F34-L49 HydrophobicContact CD1-CD1 3.17Å; F34-L49 HydrophobicContact CD2-CD1 3.8Å; F34-L49 HydrophobicContact CE1-CD1 3.6Å; F34-L49 HydrophobicContact CE2-CD1 4.16Å; F34-L49 HydrophobicContact CG-CD1 3.26Å; F34-L49 HydrophobicContact CZ-CD1 4.07Å; Y45-L49 HydrophobicContact CD1-CD1 4.12Å; Y45-L49 HydrophobicContact CD1-CD2 3.97Å; Y45-L49 HydrophobicContact CD1-CG 3.71Å; Y45-L49 HydrophobicContact CE1-CD2 3.94Å; Y45-L49 HydrophobicContact CE1-CG 4.12Å; Y45-L49 WeakPolarHBondContact O-CG 3.23Å; Y45-L49 PolarHBondContact O-N 2.95Å; L46-L49 CarbonylContact O-C 3.24Å; L46-L49 WeakPolarHBondContact O-CB 3.29Å; L46-L49 PolarHBondContact O-N 3.14Å; L49-R51 VanDerWaalsContact C-N 3.35Å; L49-D52 PolarHBondContact O-N 3.07Å; L49-V53 WeakPolarHBondContact O-CB 3.48Å; L49-V53 WeakPolarHBondContact O-CG2 3.39Å; L49-V53 PolarHBondContact O-N 3.38Å |
| 50 | I | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 174.6 | -67.5 | 178.3 | 0 | 0 | 0 | 109.3 | F7 V22 L25 R26 L46 D47 D52 V53 I54 L75 | F7-I50 HydrophobicContact CE2-CG1 3.76Å; F7-I50 HydrophobicContact CZ-CB 4.44Å; F7-I50 HydrophobicContact CZ-CG1 3.62Å; V22-I50 HydrophobicContact CG1-CG2 4.44Å; L25-I50 HydrophobicContact CB-CD1 4.25Å; L25-I50 HydrophobicContact CB-CG1 4.05Å; L25-I50 HydrophobicContact CB-CG2 4.2Å; L25-I50 HydrophobicContact CD1-CG2 3.93Å; R26-I50 HydrophobicContact CB-CD1 4.2Å; R26-I50 HydrophobicContact CG-CD1 3.33Å; L46-I50 HydrophobicContact CD1-CD1 3.88Å; L46-I50 HydrophobicContact CD1-CG1 3.91Å; L46-I50 HydrophobicContact CD2-CD1 4.42Å; L46-I50 HydrophobicContact CG-CD1 3.76Å; L46-I50 HydrophobicContact CG-CG1 4.19Å; L46-I50 WeakPolarHBondContact O-CG1 3.06Å; L46-I50 PolarHBondContact O-N 3.27Å; D47-I50 PolarHBondContact O-N 3.49Å; I50-D52 VanDerWaalsContact C-N 3.3Å; I50-D52 PolarHBondContact O-N 3.23Å; I50-V53 PolarHBondContact O-N 3.33Å; I50-I54 HydrophobicContact CG2-CD1 3.65Å; I50-I54 HydrophobicContact CG2-CG1 4.3Å; I50-I54 WeakPolarHBondContact O-CB 3.45Å; I50-I54 VanDerWaalsContact O-CG1 3.26Å; I50-I54 WeakPolarHBondContact O-CG1 3.34Å; I50-I54 PolarHBondContact O-N 3.49Å; I50-L75 HydrophobicContact CB-CD1 4.38Å; I50-L75 HydrophobicContact CB-CD2 4.09Å; I50-L75 HydrophobicContact CG2-CD1 3.67Å; I50-L75 HydrophobicContact CG2-CD2 3.83Å; I50-L75 HydrophobicContact CG2-CG 4.44Å |
| 51 | R | 94.4 | Very high | 89.6 | Confident | 28 Ų | 28 | 52.9 Ų | 52.9 | 11% | 0.106 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.1 | -48.8 | 174 | 176.8 | -155.9 | 65.2 | 177.6 | 2.4 | 111.1 | D47 Y48 L49 V53 I54 V55 N72 P73 L75 V78 | D47-R51 WeakPolarHBondContact O-CB 3.41Å; D47-R51 PolarHBondContact O-N 3.28Å; Y48-R51 WeakPolarHBondContact O-CB 3.32Å; Y48-R51 PolarHBondContact O-N 2.75Å; L49-R51 VanDerWaalsContact C-N 3.35Å; R51-V53 PolarHBondContact O-N 3.11Å; R51-I54 PolarHBondContact O-N 3.28Å; R51-V55 WeakPolarHBondContact O-CG2 3.18Å; R51-V55 PolarHBondContact O-N 3.41Å; R51-N72 PolarHBondContact NH1-OD1 3Å; R51-P73 WeakPolarHBondContact CD-O 3.46Å; R51-P73 PolarHBondContact NH1-O 3.25Å; R51-L75 HydrophobicContact CB-CB 4.27Å; R51-L75 HydrophobicContact CB-CD1 4.36Å; R51-V78 HydrophobicContact CG-CG2 3.79Å |
| 52 | D | 93.3 | Very high | 89.4 | Confident | 61 Ų | 61 | 54 Ų | 54 | 33% | 0.326 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.3 | -40.8 | -176.9 | -65.2 | -8.7 | 0 | 0 | 0 | 111.5 | Y48 L49 I50 T56 | Y48-D52 PolarHBondContact O-N 2.92Å; L49-D52 PolarHBondContact O-N 3.07Å; I50-D52 VanDerWaalsContact C-N 3.3Å; I50-D52 PolarHBondContact O-N 3.23Å; D52-T56 VanDerWaalsContact O-CB 3.23Å; D52-T56 WeakPolarHBondContact O-CB 3.44Å; D52-T56 PolarHBondContact O-N 3.32Å; D52-T56 PolarHBondContact O-OG1 2.93Å |
| 53 | V | 93.6 | Very high | 89.8 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 174.6 | 169.1 | 0 | 0 | 0 | 0 | 111 | F7 Y8 W21 L25 L49 I50 R51 T56 N57 | F7-V53 HydrophobicContact CD1-CG2 3.95Å; F7-V53 HydrophobicContact CE1-CB 4.47Å; F7-V53 HydrophobicContact CE1-CG2 3.52Å; F7-V53 HydrophobicContact CZ-CG2 4.31Å; Y8-V53 HydrophobicContact CD1-CG2 3.85Å; Y8-V53 HydrophobicContact CE1-CG2 4.48Å; W21-V53 HydrophobicContact CZ2-CG1 4.33Å; L25-V53 HydrophobicContact CD1-CB 4.48Å; L25-V53 HydrophobicContact CD1-CG1 3.99Å; L25-V53 HydrophobicContact CD2-CG1 3.89Å; L49-V53 WeakPolarHBondContact O-CB 3.48Å; L49-V53 WeakPolarHBondContact O-CG2 3.39Å; L49-V53 PolarHBondContact O-N 3.38Å; I50-V53 PolarHBondContact O-N 3.33Å; R51-V53 PolarHBondContact O-N 3.11Å; V53-T56 PolarHBondContact O-N 3.33Å; V53-N57 WeakPolarHBondContact O-CB 3.39Å; V53-N57 PolarHBondContact O-N 2.96Å |
| 54 | I | 92.4 | Very high | 90 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -52.1 | 177.9 | -71.9 | 170.7 | 0 | 0 | 0 | 110.3 | W21 V22 L25 I50 R51 T56 M58 L75 V78 | W21-I54 HydrophobicContact CD2-CG1 4.43Å; W21-I54 HydrophobicContact CE3-CG1 4.09Å; W21-I54 HydrophobicContact CH2-CB 4.36Å; W21-I54 HydrophobicContact CH2-CG1 4.24Å; W21-I54 HydrophobicContact CZ3-CB 4.2Å; W21-I54 HydrophobicContact CZ3-CG1 4Å; W21-I54 HydrophobicContact CZ3-CG2 4Å; V22-I54 HydrophobicContact CG2-CD1 3.45Å; V22-I54 VanDerWaalsContact CG2-CD1 3.45Å; L25-I54 HydrophobicContact CD1-CD1 4.36Å; L25-I54 HydrophobicContact CD1-CG1 3.88Å; I50-I54 HydrophobicContact CG2-CD1 3.65Å; I50-I54 HydrophobicContact CG2-CG1 4.3Å; I50-I54 WeakPolarHBondContact O-CB 3.45Å; I50-I54 VanDerWaalsContact O-CG1 3.26Å; I50-I54 WeakPolarHBondContact O-CG1 3.34Å; I50-I54 PolarHBondContact O-N 3.49Å; R51-I54 PolarHBondContact O-N 3.28Å; I54-T56 VanDerWaalsContact C-N 3.29Å; I54-T56 PolarHBondContact O-N 2.9Å; I54-M58 HydrophobicContact CG2-CE 3.48Å; I54-M58 VanDerWaalsContact CG2-CE 3.48Å; I54-M58 WeakPolarHBondContact O-CA 3.44Å; I54-M58 VanDerWaalsContact O-CB 3.23Å; I54-M58 WeakPolarHBondContact O-CB 3.42Å; I54-M58 PolarHBondContact O-N 3.24Å; I54-L75 HydrophobicContact CD1-CD1 3.72Å; I54-V78 HydrophobicContact CB-CG1 4.5Å; I54-V78 HydrophobicContact CG2-CG1 3.63Å |
| 55 | V | 92.1 | Very high | 90.1 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 12% | 0.121 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.8 | -34.8 | -179 | 175 | 0 | 0 | 0 | 0 | 112 | R51 R64 A67 L68 V78 | R51-V55 WeakPolarHBondContact O-CG2 3.18Å; R51-V55 PolarHBondContact O-N 3.41Å; V55-R64 WeakPolarHBondContact O-CD 3.36Å; V55-R64 WeakPolarHBondContact O-CG 3.33Å; V55-A67 HydrophobicContact CG2-CB 4.12Å; V55-L68 HydrophobicContact CG1-CD2 3.77Å; V55-L68 HydrophobicContact CG1-CG 4.07Å; V55-V78 HydrophobicContact CG2-CG1 3.91Å; V55-V78 HydrophobicContact CG2-CG2 3.95Å |
| 56 | T | 90.9 | Very high | 89.9 | Confident | 103 Ų | 103 | 45.6 Ų | 45.6 | 63% | 0.632 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -77.1 | -41.7 | -177.8 | -54.7 | 0 | 0 | 0 | 0 | 112.5 | D52 V53 I54 | D52-T56 VanDerWaalsContact O-CB 3.23Å; D52-T56 WeakPolarHBondContact O-CB 3.44Å; D52-T56 PolarHBondContact O-N 3.32Å; D52-T56 PolarHBondContact O-OG1 2.93Å; V53-T56 PolarHBondContact O-N 3.33Å; I54-T56 VanDerWaalsContact C-N 3.29Å; I54-T56 PolarHBondContact O-N 2.9Å |
| 57 | N | 90.8 | Very high | 89.7 | Confident | 38 Ų | 38 | 44.8 Ų | 44.8 | 20% | 0.203 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -102.3 | 13.3 | -173 | -60.6 | -5.8 | 0 | 0 | 0 | 112.5 | Y8 Q10 W21 V53 | Y8-N57 PolarHBondContact O-ND2 2.96Å; Q10-N57 PolarHBondContact O-ND2 2.85Å; W21-N57 HydrophobicContact CH2-CB 4.04Å; W21-N57 HydrophobicContact CZ2-CB 4.04Å; V53-N57 WeakPolarHBondContact O-CB 3.39Å; V53-N57 PolarHBondContact O-N 2.96Å |
| 58 | M | 86.1 | Confident | 89.6 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.039 | 24% | 0.237 | C | C | . | . | trans | -66.9 | 123.8 | 177.6 | -166.6 | 164 | -87.8 | 0 | 0 | 110.1 | Y18 I54 V63 R64 V78 A82 | Y18-M58 HydrophobicContact CD1-CE 4.49Å; Y18-M58 HydrophobicContact CE1-CE 3.67Å; Y18-M58 HydrophobicContact CE1-CG 4.28Å; Y18-M58 WeakPolarHBondContact OH-CG 3.11Å; I54-M58 HydrophobicContact CG2-CE 3.48Å; I54-M58 VanDerWaalsContact CG2-CE 3.48Å; I54-M58 WeakPolarHBondContact O-CA 3.44Å; I54-M58 VanDerWaalsContact O-CB 3.23Å; I54-M58 WeakPolarHBondContact O-CB 3.42Å; I54-M58 PolarHBondContact O-N 3.24Å; M58-V63 HydrophobicContact CE-CB 4.33Å; M58-V63 HydrophobicContact CE-CG1 3.5Å; M58-V63 VanDerWaalsContact CE-CG1 3.5Å; M58-V63 HydrophobicContact CG-CB 4.38Å; M58-V63 HydrophobicContact CG-CG1 4.5Å; M58-V63 HydrophobicContact SD-CB 3.39Å; M58-V63 WeakPolarHBondContact SD-CB 3.24Å; M58-V63 HydrophobicContact SD-CG1 3.2Å; M58-V63 WeakPolarHBondContact SD-CG1 3.42Å; M58-R64 HydrophobicContact CB-CB 4.21Å; M58-R64 HydrophobicContact CG-CB 4.34Å; M58-R64 VanDerWaalsContact SD-CA 3.58Å; M58-R64 HydrophobicContact SD-CB 3.9Å; M58-R64 PolarHBondContact SD-N 2.88Å; M58-V78 HydrophobicContact CE-CG1 4.23Å; M58-A82 HydrophobicContact CE-CB 4.38Å | ||
| 59 | P | 84.5 | Confident | 89.5 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 40% | 0.403 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -70.3 | -38.7 | 176.7 | 27 | -32.2 | 0 | 0 | 0 | 111.1 | L12 E61 | L12-P59 HydrophobicContact CB-CG 4.24Å; L12-P59 HydrophobicContact CD2-CG 3.95Å; P59-E61 PolarHBondContact O-N 3.14Å |
| 60 | D | 84.3 | Confident | 89.2 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | trans | -75.4 | 114.8 | -178 | -168.2 | -74.3 | 0 | 0 | 0 | 112.2 | Q62 V63 R64 H85 | D60-Q62 PolarHBondContact O-N 3.46Å; D60-Q62 WeakPolarHBondContact OD1-CA 3.32Å; D60-Q62 VanDerWaalsContact OD1-CB 3.31Å; D60-Q62 WeakPolarHBondContact OD1-CB 3.38Å; D60-Q62 PolarHBondContact OD1-N 3.23Å; D60-V63 HydrophobicContact CB-CB 4.15Å; D60-V63 HydrophobicContact CB-CG2 3.91Å; D60-V63 WeakPolarHBondContact OD1-CG2 3.48Å; D60-V63 PolarHBondContact OD1-N 2.96Å; D60-R64 WeakPolarHBondContact O-CB 3.47Å; D60-R64 PolarHBondContact O-N 2.99Å; D60-R64 VanDerWaalsContact O-N 3.09Å; D60-H85 IonicContact OD1-CE1 2.79Å; D60-H85 IonicContact OD2-CD2 3.86Å; D60-H85 IonicContact OD2-CE1 3.52Å; D60-H85 PolarHBondContact OD2-CE1 2.92Å; D60-H85 VanDerWaalsContact OD2-CE1 3.29Å; D60-H85 IonicContact OD2-NE2 3Å; D60-H85 PolarHBondContact OD2-NE2 3.5Å | ||
| 61 | E | 84.6 | Confident | 88.8 | Confident | 119 Ų | 119 | 56.2 Ų | 56.2 | 56% | 0.556 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.9 | -35.9 | 179.7 | -179.8 | 164.6 | -151.8 | 0 | 0 | 112.9 | P59 R64 L65 | P59-E61 PolarHBondContact O-N 3.14Å; E61-R64 PolarHBondContact O-N 3.41Å; E61-R64 IonicContact OE1-NH2 3.34Å; E61-L65 HydrophobicContact CG-CD1 3.91Å; E61-L65 HydrophobicContact CG-CG 4.19Å; E61-L65 WeakPolarHBondContact O-CB 3.46Å; E61-L65 VanDerWaalsContact O-CG 3.26Å; E61-L65 WeakPolarHBondContact O-CG 3.26Å; E61-L65 PolarHBondContact O-N 3.02Å |
| 62 | Q | 82.1 | Confident | 88.5 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 33% | 0.327 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.4 | -44 | -178.7 | -62.3 | -176.7 | -21.9 | 0 | 0 | 111.2 | D60 R64 L65 A66 A233 | D60-Q62 PolarHBondContact O-N 3.46Å; D60-Q62 WeakPolarHBondContact OD1-CA 3.32Å; D60-Q62 VanDerWaalsContact OD1-CB 3.31Å; D60-Q62 WeakPolarHBondContact OD1-CB 3.38Å; D60-Q62 PolarHBondContact OD1-N 3.23Å; Q62-R64 VanDerWaalsContact C-N 3.31Å; Q62-R64 PolarHBondContact O-N 2.89Å; Q62-L65 PolarHBondContact O-N 3.42Å; Q62-A66 VanDerWaalsContact O-CB 3.31Å; Q62-A66 WeakPolarHBondContact O-CB 3.34Å; Q62-A66 PolarHBondContact O-N 3Å; Q62-A233 PolarHBondContact NE2-O 3.27Å |
| 63 | V | 86.6 | Confident | 88.4 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 175 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | M58 D60 A66 A67 I81 A82 H85 | M58-V63 HydrophobicContact CE-CB 4.33Å; M58-V63 HydrophobicContact CE-CG1 3.5Å; M58-V63 VanDerWaalsContact CE-CG1 3.5Å; M58-V63 HydrophobicContact CG-CB 4.38Å; M58-V63 HydrophobicContact CG-CG1 4.5Å; M58-V63 HydrophobicContact SD-CB 3.39Å; M58-V63 WeakPolarHBondContact SD-CB 3.24Å; M58-V63 HydrophobicContact SD-CG1 3.2Å; M58-V63 WeakPolarHBondContact SD-CG1 3.42Å; D60-V63 HydrophobicContact CB-CB 4.15Å; D60-V63 HydrophobicContact CB-CG2 3.91Å; D60-V63 WeakPolarHBondContact OD1-CG2 3.48Å; D60-V63 PolarHBondContact OD1-N 2.96Å; V63-A66 PolarHBondContact O-N 2.62Å; V63-A67 WeakPolarHBondContact O-CB 3.34Å; V63-A67 PolarHBondContact O-N 3.16Å; V63-I81 HydrophobicContact CG1-CG2 3.88Å; V63-A82 HydrophobicContact CG1-CB 3.79Å; V63-H85 HydrophobicContact CG2-CB 3.31Å |
| 64 | R | 89.3 | Confident | 88.4 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 31% | 0.306 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 178.6 | -175.8 | 163.4 | 54.2 | 94.7 | 6.9 | 111.3 | V55 M58 D60 E61 Q62 A67 L68 | V55-R64 WeakPolarHBondContact O-CD 3.36Å; V55-R64 WeakPolarHBondContact O-CG 3.33Å; M58-R64 HydrophobicContact CB-CB 4.21Å; M58-R64 HydrophobicContact CG-CB 4.34Å; M58-R64 VanDerWaalsContact SD-CA 3.58Å; M58-R64 HydrophobicContact SD-CB 3.9Å; M58-R64 PolarHBondContact SD-N 2.88Å; D60-R64 WeakPolarHBondContact O-CB 3.47Å; D60-R64 PolarHBondContact O-N 2.99Å; D60-R64 VanDerWaalsContact O-N 3.09Å; E61-R64 PolarHBondContact O-N 3.41Å; E61-R64 IonicContact OE1-NH2 3.34Å; Q62-R64 VanDerWaalsContact C-N 3.31Å; Q62-R64 PolarHBondContact O-N 2.89Å; R64-A67 PolarHBondContact O-N 2.82Å; R64-L68 HydrophobicContact CG-CD1 4.08Å; R64-L68 WeakPolarHBondContact O-CB 3.22Å; R64-L68 VanDerWaalsContact O-CG 3.25Å; R64-L68 WeakPolarHBondContact O-CG 3.34Å; R64-L68 PolarHBondContact O-N 2.83Å |
| 65 | L | 88.6 | Confident | 88.5 | Confident | 81 Ų | 81 | 60.8 Ų | 60.8 | 42% | 0.424 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 175.5 | -71.5 | 174.1 | 0 | 0 | 0 | 111.3 | E61 Q62 A67 L68 Q69 | E61-L65 HydrophobicContact CG-CD1 3.91Å; E61-L65 HydrophobicContact CG-CG 4.19Å; E61-L65 WeakPolarHBondContact O-CB 3.46Å; E61-L65 VanDerWaalsContact O-CG 3.26Å; E61-L65 WeakPolarHBondContact O-CG 3.26Å; E61-L65 PolarHBondContact O-N 3.02Å; Q62-L65 PolarHBondContact O-N 3.42Å; L65-A67 VanDerWaalsContact C-N 3.28Å; L65-A67 PolarHBondContact O-N 3.18Å; L65-L68 PolarHBondContact O-N 3.41Å; L65-L68 VanDerWaalsContact O-N 3.1Å; L65-Q69 WeakPolarHBondContact O-CG 3.37Å; L65-Q69 PolarHBondContact O-N 3.39Å |
| 66 | A | 87.9 | Confident | 88.5 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 13% | 0.132 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.5 | -36.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q62 V63 I81 | Q62-A66 VanDerWaalsContact O-CB 3.31Å; Q62-A66 WeakPolarHBondContact O-CB 3.34Å; Q62-A66 PolarHBondContact O-N 3Å; V63-A66 PolarHBondContact O-N 2.62Å; A66-I81 HydrophobicContact CB-CG2 3.66Å |
| 67 | A | 89.3 | Confident | 88.5 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V55 V63 R64 L65 Q69 R70 V78 I81 | V55-A67 HydrophobicContact CG2-CB 4.12Å; V63-A67 WeakPolarHBondContact O-CB 3.34Å; V63-A67 PolarHBondContact O-N 3.16Å; R64-A67 PolarHBondContact O-N 2.82Å; L65-A67 VanDerWaalsContact C-N 3.28Å; L65-A67 PolarHBondContact O-N 3.18Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 3.01Å; A67-R70 PolarHBondContact O-N 3.38Å; A67-R70 VanDerWaalsContact O-N 3.17Å; A67-V78 HydrophobicContact CB-CG1 4.42Å; A67-V78 HydrophobicContact CB-CG2 4.32Å; A67-I81 HydrophobicContact CB-CD1 4.28Å |
| 68 | L | 90.5 | Very high | 88.6 | Confident | 104 Ų | 104 | 60 Ų | 60 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.5 | -23 | -179.5 | -71 | 171.6 | 0 | 0 | 0 | 114 | V55 R64 L65 R70 | V55-L68 HydrophobicContact CG1-CD2 3.77Å; V55-L68 HydrophobicContact CG1-CG 4.07Å; R64-L68 HydrophobicContact CG-CD1 4.08Å; R64-L68 WeakPolarHBondContact O-CB 3.22Å; R64-L68 VanDerWaalsContact O-CG 3.25Å; R64-L68 WeakPolarHBondContact O-CG 3.34Å; R64-L68 PolarHBondContact O-N 2.83Å; L65-L68 PolarHBondContact O-N 3.41Å; L65-L68 VanDerWaalsContact O-N 3.1Å; L68-R70 PolarHBondContact O-N 2.93Å |
| 69 | Q | 89.3 | Confident | 88.8 | Confident | 154 Ų | 154 | 60.5 Ų | 60.5 | 72% | 0.72 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -16.2 | 171.9 | -69.5 | -59.1 | -29.5 | 0 | 0 | 112.9 | L65 A67 | L65-Q69 WeakPolarHBondContact O-CG 3.37Å; L65-Q69 PolarHBondContact O-N 3.39Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 3.01Å |
| 70 | R | 88.2 | Confident | 89 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -89 | 130.8 | 173.3 | -59.5 | -168 | -176.5 | -170.6 | 11.1 | 109 | A67 L68 N72 P73 N229 | A67-R70 PolarHBondContact O-N 3.38Å; A67-R70 VanDerWaalsContact O-N 3.17Å; L68-R70 PolarHBondContact O-N 2.93Å; R70-N72 VanDerWaalsContact C-N 3.3Å; R70-N72 PolarHBondContact O-N 2.65Å; R70-P73 HydrophobicContact CB-CB 4.04Å; R70-P73 HydrophobicContact CB-CG 4.32Å; R70-P73 WeakPolarHBondContact O-CD 3.32Å; R70-N229 PolarHBondContact NE-ND2 3.4Å; R70-N229 VanDerWaalsContact NE-ND2 3.17Å |
| 71 | P | 85.7 | Confident | 89.2 | Confident | 141 Ų | 141 | 59.5 Ų | 59.5 | 92% | 0.916 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -66 | -27.6 | -173.2 | 22.8 | -33.1 | 0 | 0 | 0 | 114.3 | ||
| 72 | N | 88.6 | Confident | 89.3 | Confident | 113 Ų | 113 | 53.8 Ų | 53.8 | 60% | 0.604 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -158.8 | 73.4 | 175.4 | -174.3 | 27.1 | 0 | 0 | 0 | 110.3 | R51 R70 | R51-N72 PolarHBondContact NH1-OD1 3Å; R70-N72 VanDerWaalsContact C-N 3.3Å; R70-N72 PolarHBondContact O-N 2.65Å |
| 73 | P | 91.4 | Very high | 89.6 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | trans | -66.6 | 146.3 | -177.5 | 29.1 | -33.9 | 0 | 0 | 0 | 110.2 | R51 R70 Q77 V78 | R51-P73 WeakPolarHBondContact CD-O 3.46Å; R51-P73 PolarHBondContact NH1-O 3.25Å; R70-P73 HydrophobicContact CB-CB 4.04Å; R70-P73 HydrophobicContact CB-CG 4.32Å; R70-P73 WeakPolarHBondContact O-CD 3.32Å; P73-Q77 HydrophobicContact CB-CB 4.2Å; P73-V78 HydrophobicContact CB-CG2 3.81Å; P73-V78 HydrophobicContact CG-CG2 3.86Å | ||
| 74 | S | 93.7 | Very high | 89.4 | Confident | 54 Ų | 54 | 56 Ų | 56 | 38% | 0.378 | 31% | 0.309 | S | S | . | . | trans | -77.8 | 163.7 | 164.8 | 61.5 | 0 | 0 | 0 | 0 | 110.5 | A76 Q77 V78 | S74-A76 VanDerWaalsContact C-N 3.27Å; S74-A76 PolarHBondContact O-N 3.17Å; S74-Q77 WeakPolarHBondContact O-CB 3.39Å; S74-Q77 PolarHBondContact O-N 2.68Å; S74-Q77 VanDerWaalsContact O-N 3.09Å; S74-Q77 WeakPolarHBondContact OG-CG 3.23Å; S74-Q77 PolarHBondContact OG-N 2.83Å; S74-Q77 PolarHBondContact OG-OE1 3.03Å; S74-V78 PolarHBondContact O-N 3Å; S74-V78 VanDerWaalsContact O-N 3.07Å | ||
| 75 | L | 93.5 | Very high | 89.1 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53.6 | -46.1 | 173.2 | 176.3 | 56.2 | 0 | 0 | 0 | 111.5 | V22 R26 D47 I50 R51 I54 Q77 V78 T79 | V22-L75 HydrophobicContact CG1-CD2 4.46Å; R26-L75 VanDerWaalsContact NH2-CD2 3.28Å; D47-L75 HydrophobicContact CB-CD2 4.02Å; I50-L75 HydrophobicContact CB-CD1 4.38Å; I50-L75 HydrophobicContact CB-CD2 4.09Å; I50-L75 HydrophobicContact CG2-CD1 3.67Å; I50-L75 HydrophobicContact CG2-CD2 3.83Å; I50-L75 HydrophobicContact CG2-CG 4.44Å; R51-L75 HydrophobicContact CB-CB 4.27Å; R51-L75 HydrophobicContact CB-CD1 4.36Å; I54-L75 HydrophobicContact CD1-CD1 3.72Å; L75-Q77 VanDerWaalsContact C-N 3.27Å; L75-Q77 PolarHBondContact O-N 2.89Å; L75-V78 PolarHBondContact O-N 3.13Å; L75-V78 VanDerWaalsContact O-N 3.1Å; L75-T79 PolarHBondContact O-N 3.48Å; L75-T79 PolarHBondContact O-OG1 2.95Å |
| 76 | A | 92.4 | Very high | 88.8 | Confident | 72 Ų | 72 | 51.2 Ų | 51.2 | 60% | 0.595 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -57.5 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S74 E80 | S74-A76 VanDerWaalsContact C-N 3.27Å; S74-A76 PolarHBondContact O-N 3.17Å; A76-E80 WeakPolarHBondContact O-CB 3.3Å; A76-E80 PolarHBondContact O-N 3.39Å |
| 77 | Q | 91.5 | Very high | 88.3 | Confident | 71 Ų | 71 | 56 Ų | 56 | 33% | 0.332 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.6 | -37.6 | 177.1 | -73.6 | 172.7 | -49.4 | 0 | 0 | 112.6 | P73 S74 L75 I81 | P73-Q77 HydrophobicContact CB-CB 4.2Å; S74-Q77 WeakPolarHBondContact O-CB 3.39Å; S74-Q77 PolarHBondContact O-N 2.68Å; S74-Q77 VanDerWaalsContact O-N 3.09Å; S74-Q77 WeakPolarHBondContact OG-CG 3.23Å; S74-Q77 PolarHBondContact OG-N 2.83Å; S74-Q77 PolarHBondContact OG-OE1 3.03Å; L75-Q77 VanDerWaalsContact C-N 3.27Å; L75-Q77 PolarHBondContact O-N 2.89Å; Q77-I81 WeakPolarHBondContact O-CD1 3.34Å; Q77-I81 WeakPolarHBondContact O-CG1 3.36Å; Q77-I81 PolarHBondContact O-N 3.01Å |
| 78 | V | 91.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.6 | -43.3 | 175.9 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | R51 I54 V55 M58 A67 P73 S74 L75 E80 I81 A82 | R51-V78 HydrophobicContact CG-CG2 3.79Å; I54-V78 HydrophobicContact CB-CG1 4.5Å; I54-V78 HydrophobicContact CG2-CG1 3.63Å; V55-V78 HydrophobicContact CG2-CG1 3.91Å; V55-V78 HydrophobicContact CG2-CG2 3.95Å; M58-V78 HydrophobicContact CE-CG1 4.23Å; A67-V78 HydrophobicContact CB-CG1 4.42Å; A67-V78 HydrophobicContact CB-CG2 4.32Å; P73-V78 HydrophobicContact CB-CG2 3.81Å; P73-V78 HydrophobicContact CG-CG2 3.86Å; S74-V78 PolarHBondContact O-N 3Å; S74-V78 VanDerWaalsContact O-N 3.07Å; L75-V78 PolarHBondContact O-N 3.13Å; L75-V78 VanDerWaalsContact O-N 3.1Å; V78-E80 PolarHBondContact O-N 3.45Å; V78-I81 PolarHBondContact O-N 3.27Å; V78-A82 WeakPolarHBondContact O-CB 3.36Å; V78-A82 PolarHBondContact O-N 3.41Å |
| 79 | T | 91.3 | Very high | 86.8 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 176 | -51.7 | 0 | 0 | 0 | 0 | 111.4 | L75 I81 A82 E83 | L75-T79 PolarHBondContact O-N 3.48Å; L75-T79 PolarHBondContact O-OG1 2.95Å; T79-I81 VanDerWaalsContact C-N 3.34Å; T79-I81 PolarHBondContact O-N 3.26Å; T79-A82 PolarHBondContact O-N 3.09Å; T79-E83 HydrophobicContact CG2-CG 4.17Å; T79-E83 WeakPolarHBondContact CG2-OE1 3.18Å; T79-E83 WeakPolarHBondContact O-CB 3.34Å; T79-E83 WeakPolarHBondContact O-CG 3.49Å; T79-E83 PolarHBondContact O-N 2.94Å |
| 80 | E | 89.4 | Confident | 86 | Confident | 81 Ų | 81 | 54.9 Ų | 54.9 | 38% | 0.379 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 175.3 | -174.3 | -171.5 | -164.6 | 0 | 0 | 112.4 | A76 V78 A82 A84 K223 | A76-E80 WeakPolarHBondContact O-CB 3.3Å; A76-E80 PolarHBondContact O-N 3.39Å; V78-E80 PolarHBondContact O-N 3.45Å; E80-A82 VanDerWaalsContact C-N 3.35Å; E80-A84 WeakPolarHBondContact O-CB 3.36Å; E80-A84 PolarHBondContact O-N 3.13Å; E80-K223 IonicContact OE1-NZ 2.62Å; E80-K223 PolarHBondContact OE1-NZ 3.13Å; E80-K223 IonicContact OE2-NZ 3.63Å |
| 81 | I | 87.4 | Confident | 85 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.015 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 176.9 | -66.8 | 166 | 0 | 0 | 0 | 110.3 | V63 A66 A67 Q77 V78 T79 H85 N230 | V63-I81 HydrophobicContact CG1-CG2 3.88Å; A66-I81 HydrophobicContact CB-CG2 3.66Å; A67-I81 HydrophobicContact CB-CD1 4.28Å; Q77-I81 WeakPolarHBondContact O-CD1 3.34Å; Q77-I81 WeakPolarHBondContact O-CG1 3.36Å; Q77-I81 PolarHBondContact O-N 3.01Å; V78-I81 PolarHBondContact O-N 3.27Å; T79-I81 VanDerWaalsContact C-N 3.34Å; T79-I81 PolarHBondContact O-N 3.26Å; I81-H85 PolarHBondContact O-N 3.42Å; I81-H85 VanDerWaalsContact O-N 3.13Å; I81-N230 WeakPolarHBondContact CG2-OD1 3.15Å; I81-N230 PolarHBondContact O-ND2 3.09Å |
| 82 | A | 87.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.9 | -45.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y18 M58 V63 V78 T79 E80 H85 E86 | Y18-A82 HydrophobicContact CD1-CB 3.67Å; Y18-A82 HydrophobicContact CD2-CB 3.52Å; Y18-A82 HydrophobicContact CE1-CB 3.9Å; Y18-A82 HydrophobicContact CE2-CB 3.8Å; Y18-A82 HydrophobicContact CG-CB 3.5Å; M58-A82 HydrophobicContact CE-CB 4.38Å; V63-A82 HydrophobicContact CG1-CB 3.79Å; V78-A82 WeakPolarHBondContact O-CB 3.36Å; V78-A82 PolarHBondContact O-N 3.41Å; T79-A82 PolarHBondContact O-N 3.09Å; E80-A82 VanDerWaalsContact C-N 3.35Å; A82-H85 PolarHBondContact O-N 3.46Å; A82-E86 PolarHBondContact O-N 3.29Å |
| 83 | E | 87 | Confident | 82.6 | Confident | 77 Ų | 77 | 48.1 Ų | 48.1 | 36% | 0.36 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 174.8 | -72.5 | 173.4 | 176.2 | 0 | 0 | 111.6 | T79 H85 E86 I87 | T79-E83 HydrophobicContact CG2-CG 4.17Å; T79-E83 WeakPolarHBondContact CG2-OE1 3.18Å; T79-E83 WeakPolarHBondContact O-CB 3.34Å; T79-E83 WeakPolarHBondContact O-CG 3.49Å; T79-E83 PolarHBondContact O-N 2.94Å; E83-H85 PolarHBondContact O-N 3.46Å; E83-E86 PolarHBondContact O-N 3.15Å; E83-I87 VanDerWaalsContact O-CG1 3.26Å; E83-I87 WeakPolarHBondContact O-CG1 3.06Å; E83-I87 PolarHBondContact O-N 3.16Å |
| 84 | A | 83.4 | Confident | 80.9 | Confident | 41 Ų | 41 | 50.5 Ų | 50.5 | 34% | 0.339 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.8 | -34.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | E80 A88 N230 | E80-A84 WeakPolarHBondContact O-CB 3.36Å; E80-A84 PolarHBondContact O-N 3.13Å; A84-A88 WeakPolarHBondContact O-CB 3.48Å; A84-A88 PolarHBondContact O-N 3.28Å; A84-A88 VanDerWaalsContact O-N 3.09Å; A84-N230 WeakPolarHBondContact CB-ND2 3.35Å |
| 85 | H | 82.5 | Confident | 78.9 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 11% | 0.106 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.2 | -44.7 | 174.1 | -178.3 | 96.5 | 0 | 0 | 0 | 111.9 | D60 V63 I81 A82 E83 I87 A88 T89 | D60-H85 IonicContact OD1-CE1 2.79Å; D60-H85 IonicContact OD2-CD2 3.86Å; D60-H85 IonicContact OD2-CE1 3.52Å; D60-H85 PolarHBondContact OD2-CE1 2.92Å; D60-H85 VanDerWaalsContact OD2-CE1 3.29Å; D60-H85 IonicContact OD2-NE2 3Å; D60-H85 PolarHBondContact OD2-NE2 3.5Å; V63-H85 HydrophobicContact CG2-CB 3.31Å; I81-H85 PolarHBondContact O-N 3.42Å; I81-H85 VanDerWaalsContact O-N 3.13Å; A82-H85 PolarHBondContact O-N 3.46Å; E83-H85 PolarHBondContact O-N 3.46Å; H85-I87 VanDerWaalsContact C-N 3.29Å; H85-I87 PolarHBondContact O-N 3.46Å; H85-A88 PolarHBondContact O-N 3.24Å; H85-A88 VanDerWaalsContact O-N 3.14Å; H85-T89 PolarHBondContact CD2-OG1 3.37Å; H85-T89 PolarHBondContact NE2-OG1 3.07Å; H85-T89 VanDerWaalsContact NE2-OG1 3.11Å; H85-T89 WeakPolarHBondContact O-CB 3.48Å; H85-T89 PolarHBondContact O-N 2.9Å; H85-T89 PolarHBondContact O-OG1 2.92Å; H85-T89 VanDerWaalsContact O-OG1 3.07Å |
| 86 | E | 82.4 | Confident | 76.6 | Confident | 37 Ų | 37 | 62 Ų | 62 | 17% | 0.173 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.4 | -44.2 | 174.6 | -76.1 | -175.1 | 163.8 | 0 | 0 | 112.2 | A17 Y18 A82 E83 T89 K90 | A17-E86 WeakPolarHBondContact CA-OE1 3.19Å; Y18-E86 HydrophobicContact CD2-CG 3.7Å; Y18-E86 WeakPolarHBondContact CD2-OE1 3.27Å; Y18-E86 HydrophobicContact CE2-CG 4.03Å; Y18-E86 PolarHBondContact N-OE1 3.45Å; A82-E86 PolarHBondContact O-N 3.29Å; E83-E86 PolarHBondContact O-N 3.15Å; E86-T89 PolarHBondContact O-N 2.89Å; E86-K90 WeakPolarHBondContact O-CB 3.41Å; E86-K90 WeakPolarHBondContact O-CG 3.26Å; E86-K90 PolarHBondContact O-N 3.45Å |
| 87 | I | 77.7 | Confident | 74 | Confident | 118 Ų | 118 | 65.7 Ų | 65.7 | 61% | 0.605 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.7 | -45.5 | 177.5 | -67 | 165.3 | 0 | 0 | 0 | 110.3 | E83 H85 K90 A91 | E83-I87 VanDerWaalsContact O-CG1 3.26Å; E83-I87 WeakPolarHBondContact O-CG1 3.06Å; E83-I87 PolarHBondContact O-N 3.16Å; H85-I87 VanDerWaalsContact C-N 3.29Å; H85-I87 PolarHBondContact O-N 3.46Å; I87-K90 PolarHBondContact O-N 2.91Å; I87-A91 VanDerWaalsContact O-CB 3.32Å; I87-A91 WeakPolarHBondContact O-CB 3.46Å; I87-A91 PolarHBondContact O-N 2.97Å |
| 88 | A | 75.1 | Confident | 71.4 | Confident | 33 Ų | 33 | 73.1 Ų | 73.1 | 27% | 0.273 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A84 H85 A91 M92 | A84-A88 WeakPolarHBondContact O-CB 3.48Å; A84-A88 PolarHBondContact O-N 3.28Å; A84-A88 VanDerWaalsContact O-N 3.09Å; H85-A88 PolarHBondContact O-N 3.24Å; H85-A88 VanDerWaalsContact O-N 3.14Å; A88-A91 PolarHBondContact O-N 3.25Å; A88-M92 HydrophobicContact CB-CE 3.77Å; A88-M92 WeakPolarHBondContact O-CB 3.47Å; A88-M92 WeakPolarHBondContact O-CE 3.37Å; A88-M92 VanDerWaalsContact O-CG 3.22Å; A88-M92 WeakPolarHBondContact O-CG 3.29Å; A88-M92 PolarHBondContact O-N 2.83Å |
| 89 | T | 73.6 | Confident | 68.9 | Low | 66 Ų | 66 | 77.4 Ų | 77.4 | 41% | 0.405 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | -179.6 | -59 | 0 | 0 | 0 | 0 | 111.6 | H85 E86 M92 S93 | H85-T89 PolarHBondContact CD2-OG1 3.37Å; H85-T89 PolarHBondContact NE2-OG1 3.07Å; H85-T89 VanDerWaalsContact NE2-OG1 3.11Å; H85-T89 WeakPolarHBondContact O-CB 3.48Å; H85-T89 PolarHBondContact O-N 2.9Å; H85-T89 PolarHBondContact O-OG1 2.92Å; H85-T89 VanDerWaalsContact O-OG1 3.07Å; E86-T89 PolarHBondContact O-N 2.89Å; T89-M92 PolarHBondContact O-N 3.49Å; T89-S93 PolarHBondContact O-N 3.19Å |
| 90 | K | 72.8 | Confident | 66.2 | Low | 135 Ų | 135 | 82 Ų | 82 | 59% | 0.587 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.2 | -49.2 | 172.6 | -75.9 | 175.8 | -178.6 | 173.9 | 0 | 111.4 | E86 I87 M92 S93 T94 | E86-K90 WeakPolarHBondContact O-CB 3.41Å; E86-K90 WeakPolarHBondContact O-CG 3.26Å; E86-K90 PolarHBondContact O-N 3.45Å; I87-K90 PolarHBondContact O-N 2.91Å; K90-M92 VanDerWaalsContact C-N 3.3Å; K90-M92 PolarHBondContact O-N 3.27Å; K90-S93 WeakPolarHBondContact O-CB 3.49Å; K90-S93 PolarHBondContact O-N 3.13Å; K90-S93 VanDerWaalsContact O-N 3.08Å; K90-S93 PolarHBondContact O-OG 3Å; K90-T94 PolarHBondContact O-N 2.97Å; K90-T94 PolarHBondContact O-OG1 3.19Å; K90-T94 VanDerWaalsContact O-OG1 3.12Å |
| 91 | A | 66.1 | Low | 63.7 | Low | 47 Ų | 47 | 86.6 Ų | 86.6 | 39% | 0.388 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | I87 A88 S93 T94 I95 | I87-A91 VanDerWaalsContact O-CB 3.32Å; I87-A91 WeakPolarHBondContact O-CB 3.46Å; I87-A91 PolarHBondContact O-N 2.97Å; A88-A91 PolarHBondContact O-N 3.25Å; A91-S93 PolarHBondContact O-N 2.88Å; A91-T94 PolarHBondContact O-N 3.11Å; A91-I95 VanDerWaalsContact O-CG1 3.29Å; A91-I95 WeakPolarHBondContact O-CG1 3.37Å; A91-I95 PolarHBondContact O-N 3.43Å |
| 92 | M | 63 | Low | 61.3 | Low | 41 Ų | 41 | 88.7 Ų | 88.7 | 20% | 0.202 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63 | -40.2 | 174.7 | -72.5 | 178.4 | -129 | 0 | 0 | 112.5 | A88 T89 K90 T94 I95 K96 L234 L237 | A88-M92 HydrophobicContact CB-CE 3.77Å; A88-M92 WeakPolarHBondContact O-CB 3.47Å; A88-M92 WeakPolarHBondContact O-CE 3.37Å; A88-M92 VanDerWaalsContact O-CG 3.22Å; A88-M92 WeakPolarHBondContact O-CG 3.29Å; A88-M92 PolarHBondContact O-N 2.83Å; T89-M92 PolarHBondContact O-N 3.49Å; K90-M92 VanDerWaalsContact C-N 3.3Å; K90-M92 PolarHBondContact O-N 3.27Å; M92-T94 VanDerWaalsContact C-N 3.29Å; M92-T94 PolarHBondContact O-N 3Å; M92-I95 PolarHBondContact O-N 2.97Å; M92-K96 PolarHBondContact O-N 3.4Å; M92-L234 HydrophobicContact CE-CD1 4.14Å; M92-L234 HydrophobicContact CE-CD2 3.13Å; M92-L234 HydrophobicContact CE-CG 3.56Å; M92-L234 HydrophobicContact CG-CD2 3.95Å; M92-L234 HydrophobicContact SD-CD2 3.29Å; M92-L234 WeakPolarHBondContact SD-CD2 3.37Å; M92-L234 HydrophobicContact SD-CG 4.35Å; M92-L237 HydrophobicContact SD-CD1 3.61Å |
| 93 | S | 61.5 | Low | 58.6 | Low | 65 Ų | 65 | 94.1 Ų | 94.1 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 176.4 | 76.9 | 0 | 0 | 0 | 0 | 112 | T89 K90 A91 | T89-S93 PolarHBondContact O-N 3.19Å; K90-S93 WeakPolarHBondContact O-CB 3.49Å; K90-S93 PolarHBondContact O-N 3.13Å; K90-S93 VanDerWaalsContact O-N 3.08Å; K90-S93 PolarHBondContact O-OG 3Å; A91-S93 PolarHBondContact O-N 2.88Å |
| 94 | T | 55.3 | Low | 56.1 | Low | 65 Ų | 65 | 90.7 Ų | 90.7 | 40% | 0.399 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 174.2 | -47.6 | 0 | 0 | 0 | 0 | 111.5 | K90 A91 M92 K96 Q97 | K90-T94 PolarHBondContact O-N 2.97Å; K90-T94 PolarHBondContact O-OG1 3.19Å; K90-T94 VanDerWaalsContact O-OG1 3.12Å; A91-T94 PolarHBondContact O-N 3.11Å; M92-T94 VanDerWaalsContact C-N 3.29Å; M92-T94 PolarHBondContact O-N 3Å; T94-K96 VanDerWaalsContact C-N 3.34Å; T94-K96 PolarHBondContact O-N 3.39Å; T94-Q97 WeakPolarHBondContact O-CB 3.23Å; T94-Q97 PolarHBondContact O-N 3.29Å; T94-Q97 VanDerWaalsContact O-N 3.14Å |
| 95 | I | 52.3 | Low | 53.6 | Low | 125 Ų | 125 | 93.4 Ų | 93.4 | 64% | 0.641 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.8 | -33.1 | 178.3 | -67.4 | 163.2 | 0 | 0 | 0 | 112.2 | A91 M92 Q97 | A91-I95 VanDerWaalsContact O-CG1 3.29Å; A91-I95 WeakPolarHBondContact O-CG1 3.37Å; A91-I95 PolarHBondContact O-N 3.43Å; M92-I95 PolarHBondContact O-N 2.97Å; I95-Q97 PolarHBondContact O-N 3.22Å |
| 96 | K | 43.8 | Very low | 51.3 | Low | 184 Ų | 184 | 93.6 Ų | 93.6 | 80% | 0.8 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.5 | -21.2 | 174.8 | -78.4 | -173.2 | 178.3 | -176 | 0 | 112.6 | M92 T94 R98 | M92-K96 PolarHBondContact O-N 3.4Å; T94-K96 VanDerWaalsContact C-N 3.34Å; T94-K96 PolarHBondContact O-N 3.39Å; K96-R98 PolarHBondContact O-N 3.17Å |
| 97 | Q | 39 | Very low | 48.8 | Very low | 148 Ų | 148 | 96.7 Ų | 96.7 | 69% | 0.692 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -74.7 | 113.3 | 169 | -59.1 | -173.9 | 3.3 | 0 | 0 | 108.2 | T94 I95 P99 | T94-Q97 WeakPolarHBondContact O-CB 3.23Å; T94-Q97 PolarHBondContact O-N 3.29Å; T94-Q97 VanDerWaalsContact O-N 3.14Å; I95-Q97 PolarHBondContact O-N 3.22Å; Q97-P99 WeakPolarHBondContact O-CD 3.25Å; Q97-P99 VanDerWaalsContact O-N 3.08Å |
| 98 | R | 36.5 | Very low | 46.6 | Very low | 228 Ų | 228 | 95.5 Ų | 95.5 | 86% | 0.86 | 49% | 0.49 | S | S | * | . | trans | -43.7 | 113.4 | -173.8 | -158.4 | -179.6 | -163 | -176.9 | 2.1 | 110.8 | K96 | K96-R98 PolarHBondContact O-N 3.17Š| ||
| 99 | P | 38.8 | Very low | 44.4 | Very low | 90 Ų | 90 | 104.4 Ų | 104.4 | 58% | 0.584 | 52% | 0.516 | S | S | * | . | trans | -65.9 | 151.5 | 174.5 | 7.5 | -2.3 | 0 | 0 | 0 | 109.9 | Q97 E101 | Q97-P99 WeakPolarHBondContact O-CD 3.25Å; Q97-P99 VanDerWaalsContact O-N 3.08Å; P99-E101 PolarHBondContact O-N 2.8Å | ||
| 100 | P | 35.5 | Very low | 42.3 | Very low | 116 Ų | 116 | 108.3 Ų | 108.3 | 75% | 0.753 | 53% | 0.534 | S | S | * | . | trans | -54.9 | 136.1 | 171.8 | 22.1 | -30.7 | 0 | 0 | 0 | 109.9 | V102 | P100-V102 PolarHBondContact O-N 3.26Å; P100-V102 VanDerWaalsContact O-N 3.11Å | ||
| 101 | E | 36 | Very low | 40.4 | Very low | 176 Ų | 176 | 103.9 Ų | 103.9 | 82% | 0.822 | 53% | 0.527 | S | S | * | . | trans | -48.2 | 114.3 | -176.2 | -72 | 175.9 | 154.9 | 0 | 0 | 111.9 | P99 | P99-E101 PolarHBondContact O-N 2.8Š| ||
| 102 | V | 38 | Very low | 38.6 | Very low | 47 Ų | 47 | 109.8 Ų | 109.8 | 29% | 0.285 | 55% | 0.552 | S | S | . | * | trans | -95.3 | 109.9 | 172.2 | -176 | 0 | 0 | 0 | 0 | 108.4 | P100 L166 | P100-V102 PolarHBondContact O-N 3.26Å; P100-V102 VanDerWaalsContact O-N 3.11Å; V102-L166 HydrophobicContact CB-CD1 4.12Å; V102-L166 HydrophobicContact CG1-CD1 3.74Å; V102-L166 HydrophobicContact CG2-CD1 3.49Å; V102-L166 VanDerWaalsContact CG2-CD1 3.49Å | ||
| 103 | M | 31 | Very low | 36.9 | Very low | 114 Ų | 114 | 111.4 Ų | 111.4 | 56% | 0.562 | 58% | 0.579 | S | S | * | * | trans | -98.8 | 106.7 | 176.1 | -74.1 | -103.5 | 80.3 | 0 | 0 | 110.3 | ||||
| 104 | A | 34.5 | Very low | 35.2 | Very low | 5 Ų | 5 | 117.6 Ų | 117.6 | 4% | 0.041 | 60% | 0.601 | C | S | . | * | B | Isolated β-bridge | trans | -88.7 | 115.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L129 V164 | A104-L129 HydrophobicContact CB-CD2 4.45Å; A104-V164 HydrophobicContact CB-CG1 4.32Å |
| 105 | E | 30.5 | Very low | 33.8 | Very low | 98 Ų | 98 | 120.6 Ų | 120.6 | 46% | 0.458 | 61% | 0.614 | S | S | . | * | trans | -100.1 | 110.4 | 173.7 | -169.8 | -175.8 | -177.1 | 0 | 0 | 111 | R163 I165 | E105-R163 CarbonylContact C-O 3.56Å; E105-R163 VanDerWaalsContact C-O 3.29Å; E105-R163 CarbonylContact O-C 3.6Å; E105-R163 VanDerWaalsContact O-C 3.24Å; E105-R163 WeakPolarHBondContact O-CB 3.09Å; E105-I165 HydrophobicContact CB-CD1 3.79Å; E105-I165 HydrophobicContact CB-CG1 4.41Å; E105-I165 WeakPolarHBondContact OE2-CD1 3.36Å | ||
| 106 | V | 33.2 | Very low | 32.5 | Very low | 28 Ų | 28 | 117.4 Ų | 117.4 | 17% | 0.17 | 60% | 0.603 | C | S | . | * | trans | -88 | 122.8 | -170.8 | -178.7 | 0 | 0 | 0 | 0 | 113.5 | L129 L136 V162 | V106-L129 HydrophobicContact CG2-CD2 4.32Å; V106-L136 HydrophobicContact CB-CD2 3.63Å; V106-L136 HydrophobicContact CG1-CD1 4.31Å; V106-L136 HydrophobicContact CG1-CD2 3.66Å; V106-L136 HydrophobicContact CG1-CG 4.48Å; V106-L136 HydrophobicContact CG2-CD1 4.03Å; V106-L136 HydrophobicContact CG2-CD2 3.82Å; V106-V162 HydrophobicContact CB-CB 4.28Å; V106-V162 HydrophobicContact CB-CG1 4.32Å; V106-V162 HydrophobicContact CG1-CB 3.72Å; V106-V162 HydrophobicContact CG1-CG1 3.44Å; V106-V162 VanDerWaalsContact CG1-CG1 3.44Å; V106-V162 HydrophobicContact CG2-CB 3.94Å; V106-V162 HydrophobicContact CG2-CG1 3.99Å | ||
| 107 | Q | 31.5 | Very low | 31.9 | Very low | 101 Ų | 101 | 112 Ų | 112 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | trans | -130.2 | 123 | 167.7 | -76.6 | 172 | -29.3 | 0 | 0 | 110.8 | R163 | Q107-R163 HydrophobicContact CB-CB 4.36Š| ||
| 108 | Q | 30.8 | Very low | 31.8 | Very low | 94 Ų | 94 | 105 Ų | 105 | 44% | 0.439 | 55% | 0.553 | S | S | . | * | trans | -87.7 | 131.5 | -171.9 | -163.2 | -177.6 | 39.1 | 0 | 0 | 112.7 | ||||
| 109 | R | 29.9 | Very low | 32.4 | Very low | 219 Ų | 219 | 94.7 Ų | 94.7 | 83% | 0.826 | 52% | 0.515 | S | S | * | . | trans | -132 | 140.2 | 163 | -111.3 | -178.6 | 168.6 | 147.5 | -2.3 | 111.3 | R140 | R109-R140 PolarHBondContact O-NH2 2.79Š| ||
| 110 | L | 28.5 | Very low | 33 | Very low | 148 Ų | 148 | 91.8 Ų | 91.8 | 78% | 0.775 | 49% | 0.494 | S | S | * | . | trans | -86.7 | 119.2 | 178.2 | -76.6 | 143.8 | 0 | 0 | 0 | 110 | R140 | L110-R140 VanDerWaalsContact CD2-NH2 3.32Å; L110-R140 VanDerWaalsContact CG-NH2 3.29Å | ||
| 111 | G | 32.2 | Very low | 33.8 | Very low | 43 Ų | 43 | 86.2 Ų | 86.2 | 44% | 0.443 | 46% | 0.458 | S | S | . | . | trans | -165.8 | 140 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 112 | N | 28.2 | Very low | 34.4 | Very low | 171 Ų | 171 | 78.4 Ų | 78.4 | 91% | 0.914 | 42% | 0.421 | S | S | * | . | trans | -100.5 | 116.1 | -164.3 | 23 | -44.3 | 0 | 0 | 0 | 108.6 | ||||
| 113 | G | 28.5 | Very low | 34.9 | Very low | 75 Ų | 75 | 80.4 Ų | 80.4 | 77% | 0.773 | 43% | 0.426 | S | S | * | . | trans | 177.9 | 148.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 114 | E | 26.4 | Very low | 35.8 | Very low | 194 Ų | 194 | 82.4 Ų | 82.4 | 91% | 0.907 | 43% | 0.434 | S | S | * | . | trans | -69.5 | 153.6 | -158.4 | -67.9 | 167.4 | 140.7 | 0 | 0 | 116.4 | ||||
| 115 | L | 24.1 | Very low | 36.6 | Very low | 128 Ų | 128 | 83 Ų | 83 | 67% | 0.67 | 44% | 0.438 | S | S | * | . | trans | -25.1 | 122.8 | 176.7 | -65.2 | 160.9 | 0 | 0 | 0 | 118.3 | Q144 | L115-Q144 HydrophobicContact CD2-CG 3.15Š| ||
| 116 | S | 26.4 | Very low | 37.3 | Very low | 58 Ų | 58 | 82.2 Ų | 82.2 | 41% | 0.406 | 44% | 0.44 | S | S | . | . | trans | -138.6 | 136.2 | 154.2 | -51.8 | 0 | 0 | 0 | 0 | 107.9 | G118 D190 | S116-G118 PolarHBondContact O-N 3.34Å; S116-D190 VanDerWaalsContact CB-OD2 3.27Å; S116-D190 WeakPolarHBondContact CB-OD2 3.15Å | ||
| 117 | V | 30.3 | Very low | 37.7 | Very low | 71 Ų | 71 | 85.7 Ų | 85.7 | 43% | 0.43 | 46% | 0.464 | S | S | . | . | trans | -86.7 | 98.2 | -168.5 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | L146 L176 D190 | V117-L146 HydrophobicContact CG1-CD2 3.62Å; V117-L176 HydrophobicContact CB-CD1 4.4Å; V117-L176 HydrophobicContact CG1-CD1 3.75Å; V117-D190 PolarHBondContact N-OD2 3.5Å | ||
| 118 | G | 36.4 | Very low | 38.5 | Very low | 2 Ų | 2 | 83.5 Ų | 83.5 | 2% | 0.021 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 171.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | S116 I120 T174 | S116-G118 PolarHBondContact O-N 3.34Å; G118-I120 PolarHBondContact O-N 3.35Å; G118-T174 WeakPolarHBondContact CA-O 3.33Å |
| 119 | I | 49.3 | Very low | 39.5 | Very low | 11 Ų | 11 | 79.4 Ų | 79.4 | 6% | 0.056 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.4 | 126.4 | 175.2 | -69 | -176.4 | 0 | 0 | 0 | 110.6 | V121 L175 L176 N185 L186 M187 W191 | I119-V121 HydrophobicContact CG2-CG2 3.62Å; I119-L175 HydrophobicContact CB-CD1 3.6Å; I119-L175 HydrophobicContact CG2-CD1 4.03Å; I119-L175 WeakPolarHBondContact O-CD1 3.49Å; I119-L176 CarbonylContact O-C 3.59Å; I119-L176 PolarHBondContact O-N 2.79Å; I119-N185 HydrophobicContact CG2-CB 4.3Å; I119-L186 WeakPolarHBondContact CA-O 3.33Å; I119-M187 HydrophobicContact CD1-CE 4.34Å; I119-M187 HydrophobicContact CG1-CB 4.44Å; I119-M187 HydrophobicContact CG1-CG 4.49Å; I119-W191 HydrophobicContact CB-CH2 4.11Å; I119-W191 HydrophobicContact CB-CZ2 4.08Å; I119-W191 HydrophobicContact CB-CZ3 4.49Å; I119-W191 HydrophobicContact CD1-CD2 3.97Å; I119-W191 HydrophobicContact CD1-CE3 3.32Å; I119-W191 HydrophobicContact CD1-CH2 3.46Å; I119-W191 VanDerWaalsContact CD1-CH2 3.46Å; I119-W191 HydrophobicContact CD1-CZ2 4.12Å; I119-W191 HydrophobicContact CD1-CZ3 3.01Å; I119-W191 HydrophobicContact CG1-CD2 3.7Å; I119-W191 HydrophobicContact CG1-CE3 3.62Å; I119-W191 HydrophobicContact CG1-CG 4.43Å; I119-W191 HydrophobicContact CG1-CH2 3.71Å; I119-W191 HydrophobicContact CG1-CZ2 3.83Å; I119-W191 HydrophobicContact CG1-CZ3 3.61Å |
| 120 | I | 51.4 | Low | 40.5 | Very low | 28 Ų | 28 | 72.3 Ų | 72.3 | 14% | 0.144 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 120.6 | 169.2 | -58.5 | 178.6 | 0 | 0 | 0 | 106.8 | G118 L146 L176 T178 N185 L186 | G118-I120 PolarHBondContact O-N 3.35Å; I120-L146 HydrophobicContact CD1-CD1 3.75Å; I120-L146 HydrophobicContact CG1-CD1 3.89Å; I120-L176 WeakPolarHBondContact CA-O 3.42Å; I120-T178 HydrophobicContact CG2-CG2 3.36Å; I120-N185 WeakPolarHBondContact O-CA 3.33Å; I120-N185 WeakPolarHBondContact O-CB 3.42Å; I120-N185 PolarHBondContact O-OD1 3.07Å; I120-L186 HydrophobicContact CD1-CD1 4.34Å; I120-L186 PolarHBondContact N-O 3.33Å; I120-L186 PolarHBondContact O-N 3Å |
| 121 | V | 53 | Low | 41.7 | Very low | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.4 | 174.9 | -170.5 | 0 | 0 | 0 | 0 | 110.7 | I119 L129 P133 L175 L176 N185 | I119-V121 HydrophobicContact CG2-CG2 3.62Å; V121-L129 HydrophobicContact CB-CD1 4.43Å; V121-L129 HydrophobicContact CG1-CD1 3.81Å; V121-L129 HydrophobicContact CG2-CD1 4.18Å; V121-P133 HydrophobicContact CG1-CG 3.94Å; V121-L175 HydrophobicContact CG2-CD1 3.71Å; V121-L175 HydrophobicContact CG2-CD2 4.22Å; V121-L175 HydrophobicContact CG2-CG 4.25Å; V121-L176 PolarHBondContact N-O 3.28Å; V121-N185 VanDerWaalsContact CA-OD1 3.24Å; V121-N185 WeakPolarHBondContact CA-OD1 3.22Å |
| 122 | N | 48.7 | Very low | 43 | Very low | 11 Ų | 11 | 76 Ų | 76 | 6% | 0.059 | 42% | 0.417 | C | S | . | . | trans | -74.3 | 141.7 | 168 | -178.9 | -8.7 | 0 | 0 | 0 | 109.6 | E124 S125 L180 E181 G183 N185 | N122-E124 PolarHBondContact O-N 3.21Å; N122-E124 PolarHBondContact OD1-N 3.28Å; N122-S125 WeakPolarHBondContact O-CB 3.33Å; N122-S125 PolarHBondContact O-N 3.17Å; N122-L180 VanDerWaalsContact CG-O 3.25Å; N122-L180 PolarHBondContact OD1-O 2.83Å; N122-E181 PolarHBondContact ND2-O 3.1Å; N122-G183 WeakPolarHBondContact CB-O 3.5Å; N122-G183 PolarHBondContact ND2-N 3.26Å; N122-G183 VanDerWaalsContact ND2-N 3.13Å; N122-G183 PolarHBondContact ND2-O 3.22Å; N122-N185 PolarHBondContact N-OD1 3.09Å; N122-N185 VanDerWaalsContact N-OD1 3.11Å | ||
| 123 | K | 49 | Very low | 44.5 | Very low | 89 Ų | 89 | 68 Ų | 68 | 39% | 0.387 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | -32 | 178.3 | -75.7 | -179.8 | -178.8 | 166.2 | 0 | 114 | S125 | K123-S125 VanDerWaalsContact C-N 3.35Š|
| 124 | E | 49.7 | Very low | 46 | Very low | 156 Ų | 156 | 70 Ų | 70 | 73% | 0.729 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -4.9 | -176.8 | -59.4 | -166.9 | 158.9 | 0 | 0 | 114.5 | N122 T126 | N122-E124 PolarHBondContact O-N 3.21Å; N122-E124 PolarHBondContact OD1-N 3.28Å; E124-T126 PolarHBondContact O-N 3.45Å; E124-T126 VanDerWaalsContact O-N 3.11Å |
| 125 | S | 49.8 | Very low | 47.8 | Very low | 18 Ų | 18 | 65.5 Ų | 65.5 | 13% | 0.126 | 35% | 0.346 | C | S | . | . | trans | -83.2 | 93.7 | -173.7 | -69 | 0 | 0 | 0 | 0 | 113.1 | N122 K123 N185 | N122-S125 WeakPolarHBondContact O-CB 3.33Å; N122-S125 PolarHBondContact O-N 3.17Å; K123-S125 VanDerWaalsContact C-N 3.35Å; S125-N185 WeakPolarHBondContact CB-ND2 3.49Å; S125-N185 PolarHBondContact OG-ND2 3.38Å; S125-N185 PolarHBondContact OG-OD1 3.41Å | ||
| 126 | T | 45.2 | Very low | 49.6 | Very low | 82 Ų | 82 | 60.3 Ų | 60.3 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | trans | -81.5 | -27 | 164.2 | 38.3 | 0 | 0 | 0 | 0 | 116.3 | E124 I128 K132 | E124-T126 PolarHBondContact O-N 3.45Å; E124-T126 VanDerWaalsContact O-N 3.11Å; T126-I128 PolarHBondContact O-N 3.45Å; T126-K132 HydrophobicContact CG2-CG 4.01Å | ||
| 127 | P | 42 | Very low | 51.4 | Low | 101 Ų | 101 | 58.9 Ų | 58.9 | 66% | 0.656 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -76.8 | -19.4 | -167 | 25.4 | -31 | 0 | 0 | 0 | 114.8 | ||
| 128 | I | 49.5 | Very low | 53.1 | Low | 55 Ų | 55 | 60.9 Ų | 60.9 | 28% | 0.282 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -95.6 | -27.3 | -177.8 | -54.4 | -170 | 0 | 0 | 0 | 112 | T126 N185 | T126-I128 PolarHBondContact O-N 3.45Å; I128-N185 HydrophobicContact CD1-CB 3.58Å; I128-N185 WeakPolarHBondContact CD1-ND2 3.32Å |
| 129 | L | 51.7 | Low | 54.9 | Low | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -108.2 | 132.8 | -179.4 | -63.7 | 176.3 | 0 | 0 | 0 | 109.4 | A104 V106 V121 R131 P133 L136 | A104-L129 HydrophobicContact CB-CD2 4.45Å; V106-L129 HydrophobicContact CG2-CD2 4.32Å; V121-L129 HydrophobicContact CB-CD1 4.43Å; V121-L129 HydrophobicContact CG1-CD1 3.81Å; V121-L129 HydrophobicContact CG2-CD1 4.18Å; L129-R131 WeakPolarHBondContact CB-O 3.44Å; L129-R131 PolarHBondContact O-N 3.48Å; L129-P133 HydrophobicContact CD1-CG 3.95Å; L129-L136 HydrophobicContact CD1-CD1 4.08Å |
| 130 | A | 50.1 | Low | 56.5 | Low | 71 Ų | 71 | 64.4 Ų | 64.4 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -61.3 | -12.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 131 | R | 54.5 | Low | 57.9 | Low | 157 Ų | 157 | 68.8 Ų | 68.8 | 59% | 0.592 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -138.7 | 153 | 179.9 | -60.5 | -175.2 | -176.3 | -173.8 | 0.6 | 109.7 | L129 D135 L136 | L129-R131 WeakPolarHBondContact CB-O 3.44Å; L129-R131 PolarHBondContact O-N 3.48Å; R131-D135 HydrophobicContact CB-CB 4.11Å; R131-L136 HydrophobicContact CB-CD2 4.11Å |
| 132 | K | 59 | Low | 59.1 | Low | 112 Ų | 112 | 70.1 Ų | 70.1 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | trans | -60.4 | 147 | 172.9 | -67.4 | -179.5 | 176 | -177.2 | 0 | 108.7 | T126 E134 D135 | T126-K132 HydrophobicContact CG2-CG 4.01Å; K132-E134 PolarHBondContact O-N 3.49Å; K132-D135 WeakPolarHBondContact CB-OD2 3.48Å; K132-D135 PolarHBondContact N-OD2 2.89Å; K132-D135 WeakPolarHBondContact O-CB 3.46Å; K132-D135 PolarHBondContact O-N 3.48Å | ||
| 133 | P | 58.6 | Low | 60.5 | Low | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.013 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -48.7 | -40.3 | 175.9 | -27.2 | 33.2 | 0 | 0 | 0 | 111.6 | V121 L129 D135 L136 W139 V177 | V121-P133 HydrophobicContact CG1-CG 3.94Å; L129-P133 HydrophobicContact CD1-CG 3.95Å; P133-D135 PolarHBondContact O-N 2.99Å; P133-L136 VanDerWaalsContact O-CB 3.31Å; P133-L136 WeakPolarHBondContact O-CB 3.31Å; P133-L136 PolarHBondContact O-N 2.89Å; P133-W139 HydrophobicContact CB-CH2 3.82Å; P133-W139 HydrophobicContact CB-CZ2 3.57Å; P133-W139 WeakPolarHBondContact O-CH2 3.43Å; P133-W139 WeakPolarHBondContact O-CZ2 3.38Å; P133-V177 HydrophobicContact CB-CG1 4.49Å |
| 134 | E | 61.7 | Low | 61.7 | Low | 117 Ų | 117 | 74.7 Ų | 74.7 | 55% | 0.547 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -60.3 | -28.5 | -178.8 | -39.7 | -158.8 | -116.8 | 0 | 0 | 113.7 | K132 L136 | K132-E134 PolarHBondContact O-N 3.49Å; E134-L136 VanDerWaalsContact C-N 3.33Å |
| 135 | D | 63.9 | Low | 62.7 | Low | 100 Ų | 100 | 74.8 Ų | 74.8 | 54% | 0.535 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -84 | -7.7 | 178.9 | -55.8 | -35.6 | 0 | 0 | 0 | 112.7 | R131 K132 P133 G137 | R131-D135 HydrophobicContact CB-CB 4.11Å; K132-D135 WeakPolarHBondContact CB-OD2 3.48Å; K132-D135 PolarHBondContact N-OD2 2.89Å; K132-D135 WeakPolarHBondContact O-CB 3.46Å; K132-D135 PolarHBondContact O-N 3.48Å; P133-D135 PolarHBondContact O-N 2.99Å; D135-G137 PolarHBondContact O-N 3.45Å |
| 136 | L | 61.2 | Low | 63.7 | Low | 19 Ų | 19 | 74.7 Ų | 74.7 | 10% | 0.099 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -77.3 | 4.3 | 177.1 | -60.1 | -174.3 | 0 | 0 | 0 | 113 | V106 L129 R131 P133 E134 W139 L175 | V106-L136 HydrophobicContact CB-CD2 3.63Å; V106-L136 HydrophobicContact CG1-CD1 4.31Å; V106-L136 HydrophobicContact CG1-CD2 3.66Å; V106-L136 HydrophobicContact CG1-CG 4.48Å; V106-L136 HydrophobicContact CG2-CD1 4.03Å; V106-L136 HydrophobicContact CG2-CD2 3.82Å; L129-L136 HydrophobicContact CD1-CD1 4.08Å; R131-L136 HydrophobicContact CB-CD2 4.11Å; P133-L136 VanDerWaalsContact O-CB 3.31Å; P133-L136 WeakPolarHBondContact O-CB 3.31Å; P133-L136 PolarHBondContact O-N 2.89Å; E134-L136 VanDerWaalsContact C-N 3.33Å; L136-W139 HydrophobicContact CB-CH2 3.75Å; L136-W139 HydrophobicContact CB-CZ3 3.98Å; L136-W139 HydrophobicContact CD1-CH2 3.9Å; L136-W139 HydrophobicContact CD1-CZ3 4.24Å; L136-W139 HydrophobicContact CG-CH2 4.23Å; L136-L175 HydrophobicContact CD1-CD2 4.06Å |
| 137 | G | 63.5 | Low | 64.7 | Low | 28 Ų | 28 | 76.9 Ų | 76.9 | 29% | 0.289 | 41% | 0.405 | S | S | . | . | trans | 86.8 | -179.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D135 W139 | D135-G137 PolarHBondContact O-N 3.45Å; G137-W139 PolarHBondContact O-N 3.14Å | ||
| 138 | P | 66.1 | Low | 65.6 | Low | 113 Ų | 113 | 74.1 Ų | 74.1 | 73% | 0.734 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -62.1 | 123.7 | 179.3 | 25.3 | -32.3 | 0 | 0 | 0 | 110.1 | ||
| 139 | W | 75.3 | Confident | 65.7 | Low | 35 Ų | 35 | 76.2 Ų | 76.2 | 13% | 0.133 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 141.3 | 174.7 | -50 | 104.9 | 0 | 0 | 0 | 110.3 | P133 L136 G137 A160 L175 V177 | P133-W139 HydrophobicContact CB-CH2 3.82Å; P133-W139 HydrophobicContact CB-CZ2 3.57Å; P133-W139 WeakPolarHBondContact O-CH2 3.43Å; P133-W139 WeakPolarHBondContact O-CZ2 3.38Å; L136-W139 HydrophobicContact CB-CH2 3.75Å; L136-W139 HydrophobicContact CB-CZ3 3.98Å; L136-W139 HydrophobicContact CD1-CH2 3.9Å; L136-W139 HydrophobicContact CD1-CZ3 4.24Å; L136-W139 HydrophobicContact CG-CH2 4.23Å; G137-W139 PolarHBondContact O-N 3.14Å; W139-A160 HydrophobicContact CE3-CB 3.82Å; W139-A160 HydrophobicContact CZ3-CB 3.76Å; W139-L175 HydrophobicContact CZ3-CD2 4.41Å; W139-V177 HydrophobicContact CD2-CB 4.31Å; W139-V177 HydrophobicContact CD2-CG2 4.18Å; W139-V177 HydrophobicContact CE3-CB 4.36Å; W139-V177 HydrophobicContact CE3-CG2 3.78Å; W139-V177 HydrophobicContact CH2-CB 4.3Å; W139-V177 HydrophobicContact CH2-CG1 4.39Å; W139-V177 HydrophobicContact CH2-CG2 3.41Å; W139-V177 VanDerWaalsContact CH2-CG2 3.41Å; W139-V177 HydrophobicContact CZ2-CB 4.19Å; W139-V177 HydrophobicContact CZ2-CG1 3.92Å; W139-V177 HydrophobicContact CZ2-CG2 3.79Å; W139-V177 HydrophobicContact CZ3-CB 4.39Å; W139-V177 HydrophobicContact CZ3-CG2 3.41Å; W139-V177 VanDerWaalsContact CZ3-CG2 3.41Å |
| 140 | R | 82.7 | Confident | 65.8 | Low | 51 Ų | 51 | 79 Ų | 79 | 19% | 0.192 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 136.2 | 168.8 | -62.5 | -170.5 | -164.6 | 152.8 | 21.5 | 108.6 | R109 L110 G158 Q159 | R109-R140 PolarHBondContact O-NH2 2.79Å; L110-R140 VanDerWaalsContact CD2-NH2 3.32Å; L110-R140 VanDerWaalsContact CG-NH2 3.29Å; R140-G158 CarbonylContact O-C 3.57Å; R140-G158 VanDerWaalsContact O-CA 3.28Å; R140-G158 WeakPolarHBondContact O-CA 3.26Å; R140-Q159 HydrophobicContact CB-CG 4.13Å; R140-Q159 PolarHBondContact N-O 3.1Å; R140-Q159 PolarHBondContact O-N 3.23Å |
| 141 | P | 81.2 | Confident | 66.3 | Low | 120 Ų | 120 | 78.1 Ų | 78.1 | 78% | 0.779 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 146.6 | 170.9 | 25.9 | -32.8 | 0 | 0 | 0 | 109.4 | ||
| 142 | T | 78.3 | Confident | 66.5 | Low | 29 Ų | 29 | 76.2 Ų | 76.2 | 18% | 0.178 | 42% | 0.424 | C | S | . | . | trans | -134.3 | 136.5 | 179.9 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | Q144 L156 Q159 | T142-Q144 HydrophobicContact CG2-CB 4.34Å; T142-Q144 WeakPolarHBondContact OG1-CB 3.43Å; T142-Q144 VanDerWaalsContact OG1-CG 3.28Å; T142-Q144 WeakPolarHBondContact OG1-CG 3.39Å; T142-Q144 PolarHBondContact OG1-N 3.28Å; T142-L156 HydrophobicContact CG2-CB 4.18Å; T142-L156 HydrophobicContact CG2-CD1 3.72Å; T142-Q159 PolarHBondContact OG1-OE1 2.79Å | ||
| 143 | N | 78.5 | Confident | 67.1 | Low | 168 Ų | 168 | 74.7 Ų | 74.7 | 90% | 0.898 | 42% | 0.424 | S | S | * | . | trans | -88.5 | 5.6 | 172.8 | -66.4 | -20.6 | 0 | 0 | 0 | 111.5 | ||||
| 144 | Q | 73.7 | Confident | 67.8 | Low | 28 Ų | 28 | 75.1 Ų | 75.1 | 13% | 0.131 | 43% | 0.427 | C | S | . | . | trans | -61.8 | 139.4 | 174.8 | -71.5 | -169.7 | 48 | 0 | 0 | 110.2 | L115 T142 L156 Q159 | L115-Q144 HydrophobicContact CD2-CG 3.15Å; T142-Q144 HydrophobicContact CG2-CB 4.34Å; T142-Q144 WeakPolarHBondContact OG1-CB 3.43Å; T142-Q144 VanDerWaalsContact OG1-CG 3.28Å; T142-Q144 WeakPolarHBondContact OG1-CG 3.39Å; T142-Q144 PolarHBondContact OG1-N 3.28Å; Q144-L156 HydrophobicContact CB-CD1 4.03Å; Q144-L156 WeakPolarHBondContact O-CD1 3.2Å; Q144-Q159 VanDerWaalsContact NE2-OE1 3.13Å | ||
| 145 | K | 71.1 | Confident | 68.4 | Low | 157 Ų | 157 | 72.4 Ų | 72.4 | 68% | 0.683 | 42% | 0.419 | S | S | * | . | trans | -110.2 | 118.2 | 169.8 | -66.4 | -175.3 | -180 | -177.3 | 0 | 107.6 | F147 | K145-F147 HydrophobicContact CB-CE2 3.89Å; K145-F147 HydrophobicContact CB-CZ 4Å; K145-F147 HydrophobicContact CD-CZ 4.38Å | ||
| 146 | L | 69.6 | Low | 69.1 | Low | 17 Ų | 17 | 69.6 Ų | 69.6 | 9% | 0.089 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 142.7 | 168.9 | -76.6 | -177.7 | 0 | 0 | 0 | 109.2 | V117 I120 T153 V154 L156 L176 | V117-L146 HydrophobicContact CG1-CD2 3.62Å; I120-L146 HydrophobicContact CD1-CD1 3.75Å; I120-L146 HydrophobicContact CG1-CD1 3.89Å; L146-T153 CarbonylContact O-C 3.29Å; L146-T153 WeakPolarHBondContact O-CA 3.38Å; L146-V154 HydrophobicContact CB-CB 3.75Å; L146-V154 HydrophobicContact CB-CG1 4.34Å; L146-V154 HydrophobicContact CB-CG2 4.43Å; L146-V154 HydrophobicContact CD1-CG1 4.45Å; L146-V154 PolarHBondContact O-N 3.29Å; L146-L156 HydrophobicContact CD1-CD1 4.19Å; L146-L156 HydrophobicContact CD1-CD2 3.51Å; L146-L156 HydrophobicContact CD1-CG 4.06Å; L146-L156 HydrophobicContact CG-CD1 4.02Å; L146-L156 HydrophobicContact CG-CD2 4.25Å; L146-L156 HydrophobicContact CG-CG 4.3Å; L146-L176 HydrophobicContact CD1-CB 4.44Å; L146-L176 HydrophobicContact CD1-CD1 4Å; L146-L176 HydrophobicContact CD2-CD1 4.05Å; L146-L176 HydrophobicContact CG-CD1 4.2Å |
| 147 | F | 65.7 | Low | 70 | Confident | 128 Ų | 128 | 72.6 Ų | 72.6 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124 | 174.5 | -62.2 | -81.4 | 0 | 0 | 0 | 108.2 | K145 I152 | K145-F147 HydrophobicContact CB-CE2 3.89Å; K145-F147 HydrophobicContact CB-CZ 4Å; K145-F147 HydrophobicContact CD-CZ 4.38Å; F147-I152 CarbonylContact C-O 3.49Å; F147-I152 VanDerWaalsContact CA-O 3.32Å; F147-I152 WeakPolarHBondContact CA-O 3.41Å |
| 148 | A | 62 | Low | 70.9 | Confident | 43 Ų | 43 | 71.3 Ų | 71.3 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | trans | -71.8 | 172.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | G151 I152 V154 | A148-G151 PolarHBondContact O-N 2.9Å; A148-G151 VanDerWaalsContact O-N 3.17Å; A148-I152 HydrophobicContact CB-CB 4.37Å; A148-I152 PolarHBondContact N-O 2.83Å; A148-V154 HydrophobicContact CB-CG2 3.66Å | ||
| 149 | Y | 51.5 | Low | 71.6 | Confident | 98 Ų | 98 | 67.9 Ų | 67.9 | 38% | 0.384 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -53.6 | 144 | 169 | -177.2 | -106.8 | 0 | 0 | 0 | 111.2 | G151 H228 N230 A231 D232 | Y149-G151 VanDerWaalsContact C-N 3.32Å; Y149-H228 PolarHBondContact OH-O 3.42Å; Y149-N230 PolarHBondContact OH-N 3.41Å; Y149-A231 VanDerWaalsContact CD1-C 3.44Å; Y149-A231 HydrophobicContact CD1-CB 3.94Å; Y149-A231 WeakPolarHBondContact CD1-O 3.31Å; Y149-A231 HydrophobicContact CD2-CB 3.07Å; Y149-A231 HydrophobicContact CE1-CB 3.95Å; Y149-A231 WeakPolarHBondContact CE1-O 3.36Å; Y149-A231 HydrophobicContact CE2-CB 3.06Å; Y149-A231 HydrophobicContact CG-CB 3.5Å; Y149-A231 PolarHBondContact OH-N 3.46Å; Y149-D232 HydrophobicContact CE1-CB 4.03Å |
| 150 | G | 53.3 | Low | 71.8 | Confident | 67 Ų | 67 | 66.4 Ų | 66.4 | 69% | 0.691 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | 80.8 | 4.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | I152 | G150-I152 PolarHBondContact O-N 3.24Š|
| 151 | G | 60.6 | Low | 71.6 | Confident | 51 Ų | 51 | 65.9 Ų | 65.9 | 53% | 0.526 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | 77 | 10.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | A148 Y149 T153 | A148-G151 PolarHBondContact O-N 2.9Å; A148-G151 VanDerWaalsContact O-N 3.17Å; Y149-G151 VanDerWaalsContact C-N 3.32Å; G151-T153 PolarHBondContact O-N 3.45Å |
| 152 | I | 58.9 | Low | 71.2 | Confident | 117 Ų | 117 | 60.2 Ų | 60.2 | 60% | 0.6 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 126.5 | 173.5 | -57.5 | 174.5 | 0 | 0 | 0 | 107.7 | F147 A148 G150 V154 | F147-I152 CarbonylContact C-O 3.49Å; F147-I152 VanDerWaalsContact CA-O 3.32Å; F147-I152 WeakPolarHBondContact CA-O 3.41Å; A148-I152 HydrophobicContact CB-CB 4.37Å; A148-I152 PolarHBondContact N-O 2.83Å; G150-I152 PolarHBondContact O-N 3.24Å; I152-V154 PolarHBondContact O-N 3.47Å |
| 153 | T | 71.4 | Confident | 71 | Confident | 81 Ų | 81 | 62.8 Ų | 62.8 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 126.5 | 176.3 | -57.4 | 0 | 0 | 0 | 0 | 109.2 | L146 G151 | L146-T153 CarbonylContact O-C 3.29Å; L146-T153 WeakPolarHBondContact O-CA 3.38Å; G151-T153 PolarHBondContact O-N 3.45Å |
| 154 | V | 72.8 | Confident | 70.7 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.1 | 174.8 | 171.5 | 0 | 0 | 0 | 0 | 108.3 | L146 A148 I152 L156 T178 L180 | L146-V154 HydrophobicContact CB-CB 3.75Å; L146-V154 HydrophobicContact CB-CG1 4.34Å; L146-V154 HydrophobicContact CB-CG2 4.43Å; L146-V154 HydrophobicContact CD1-CG1 4.45Å; L146-V154 PolarHBondContact O-N 3.29Å; A148-V154 HydrophobicContact CB-CG2 3.66Å; I152-V154 PolarHBondContact O-N 3.47Å; V154-L156 PolarHBondContact O-N 3.1Å; V154-T178 WeakPolarHBondContact CG1-OG1 3.35Å; V154-L180 HydrophobicContact CB-CD1 4.44Å; V154-L180 HydrophobicContact CG1-CD1 3.58Å; V154-L180 HydrophobicContact CG1-CG 4.21Å; V154-L180 HydrophobicContact CG2-CD1 4.18Å |
| 155 | P | 74.8 | Confident | 70.4 | Confident | 59 Ų | 59 | 55.5 Ų | 55.5 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 128.7 | 176.4 | 27.6 | -33.4 | 0 | 0 | 0 | 109.8 | T178 D179 L180 | P155-T178 WeakPolarHBondContact O-CA 3.36Å; P155-T178 VanDerWaalsContact O-CB 3.3Å; P155-T178 WeakPolarHBondContact O-CB 3.46Å; P155-T178 PolarHBondContact O-OG1 3.17Å; P155-D179 VanDerWaalsContact CB-OD1 3.23Å; P155-D179 WeakPolarHBondContact CB-OD1 3.45Å; P155-D179 WeakPolarHBondContact CG-OD1 3.25Å; P155-L180 HydrophobicContact CG-CD2 4.43Å |
| 156 | L | 79.7 | Confident | 70.1 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 127.1 | 179 | -80.3 | 176.8 | 0 | 0 | 0 | 109.8 | T142 Q144 L146 V154 L176 V177 | T142-L156 HydrophobicContact CG2-CB 4.18Å; T142-L156 HydrophobicContact CG2-CD1 3.72Å; Q144-L156 HydrophobicContact CB-CD1 4.03Å; Q144-L156 WeakPolarHBondContact O-CD1 3.2Å; L146-L156 HydrophobicContact CD1-CD1 4.19Å; L146-L156 HydrophobicContact CD1-CD2 3.51Å; L146-L156 HydrophobicContact CD1-CG 4.06Å; L146-L156 HydrophobicContact CG-CD1 4.02Å; L146-L156 HydrophobicContact CG-CD2 4.25Å; L146-L156 HydrophobicContact CG-CG 4.3Å; V154-L156 PolarHBondContact O-N 3.1Å; L156-L176 HydrophobicContact CD2-CB 4.06Å; L156-V177 CarbonylContact C-O 3.48Å; L156-V177 WeakPolarHBondContact CD2-O 3.35Å |
| 157 | K | 79 | Confident | 70 | Confident | 82 Ų | 82 | 52.2 Ų | 52.2 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -29.6 | 170.3 | -167.4 | 177.3 | 179 | -179.4 | 0 | 111.2 | V177 | K157-V177 HydrophobicContact CB-CG1 4.26Å; K157-V177 HydrophobicContact CD-CG1 4.4Å; K157-V177 PolarHBondContact N-O 3.28Å |
| 158 | G | 82.1 | Confident | 70.4 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.9 | -161.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R140 V177 | R140-G158 CarbonylContact O-C 3.57Å; R140-G158 VanDerWaalsContact O-CA 3.28Å; R140-G158 WeakPolarHBondContact O-CA 3.26Å; G158-V177 PolarHBondContact N-O 2.92Å; G158-V177 PolarHBondContact O-N 3.28Å |
| 159 | Q | 82.3 | Confident | 70.8 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 154.2 | 179.5 | 71.5 | -176.3 | 26.1 | 0 | 0 | 112.4 | R140 T142 Q144 T174 L175 L176 | R140-Q159 HydrophobicContact CB-CG 4.13Å; R140-Q159 PolarHBondContact N-O 3.1Å; R140-Q159 PolarHBondContact O-N 3.23Å; T142-Q159 PolarHBondContact OG1-OE1 2.79Å; Q144-Q159 VanDerWaalsContact NE2-OE1 3.13Å; Q159-T174 HydrophobicContact CB-CG2 4.26Å; Q159-L175 CarbonylContact C-O 3.57Å; Q159-L175 WeakPolarHBondContact CA-O 3.27Å; Q159-L175 WeakPolarHBondContact CB-O 3.34Å; Q159-L176 HydrophobicContact CB-CD2 3.66Å |
| 160 | A | 78.9 | Confident | 72 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 145 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | W139 V162 T174 L175 | W139-A160 HydrophobicContact CE3-CB 3.82Å; W139-A160 HydrophobicContact CZ3-CB 3.76Å; A160-V162 HydrophobicContact CB-CG1 4.09Å; A160-T174 CarbonylContact O-C 3.53Å; A160-L175 PolarHBondContact N-O 3Å; A160-L175 PolarHBondContact O-N 2.89Å |
| 161 | N | 78.2 | Confident | 73.2 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 22% | 0.219 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 123.6 | 164.7 | -72.7 | -13.1 | 0 | 0 | 0 | 107.6 | T174 | N161-T174 PolarHBondContact OD1-OG1 2.82Å; N161-T174 VanDerWaalsContact OD1-OG1 3.07Å |
| 162 | V | 73.5 | Confident | 74.1 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 143.7 | -174.9 | -57.5 | 0 | 0 | 0 | 0 | 109.8 | V106 A160 V164 Q172 L173 L175 W191 | V106-V162 HydrophobicContact CB-CB 4.28Å; V106-V162 HydrophobicContact CB-CG1 4.32Å; V106-V162 HydrophobicContact CG1-CB 3.72Å; V106-V162 HydrophobicContact CG1-CG1 3.44Å; V106-V162 VanDerWaalsContact CG1-CG1 3.44Å; V106-V162 HydrophobicContact CG2-CB 3.94Å; V106-V162 HydrophobicContact CG2-CG1 3.99Å; A160-V162 HydrophobicContact CB-CG1 4.09Å; V162-V164 HydrophobicContact CG2-CG2 3.75Å; V162-Q172 WeakPolarHBondContact O-CA 3.47Å; V162-Q172 PolarHBondContact O-OE1 2.96Å; V162-L173 WeakPolarHBondContact CG2-O 3.49Å; V162-L173 PolarHBondContact N-O 3.2Å; V162-L173 PolarHBondContact O-N 3.42Å; V162-L175 HydrophobicContact CG1-CB 3.78Å; V162-L175 HydrophobicContact CG1-CD2 4.09Å; V162-L175 HydrophobicContact CG2-CB 3.87Å; V162-W191 HydrophobicContact CG2-CH2 3.94Å; V162-W191 HydrophobicContact CG2-CZ2 3.98Å |
| 163 | R | 73 | Confident | 75 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 137 | 164.6 | -173.3 | 178.4 | -176.5 | -168.2 | -6.2 | 107.4 | E105 Q107 R171 Q172 | E105-R163 CarbonylContact C-O 3.56Å; E105-R163 VanDerWaalsContact C-O 3.29Å; E105-R163 CarbonylContact O-C 3.6Å; E105-R163 VanDerWaalsContact O-C 3.24Å; E105-R163 WeakPolarHBondContact O-CB 3.09Å; Q107-R163 HydrophobicContact CB-CB 4.36Å; R163-R171 CarbonylContact C-O 3.58Å; R163-R171 WeakPolarHBondContact CA-O 3.37Å; R163-Q172 VanDerWaalsContact CB-NE2 3.34Å |
| 164 | V | 72.6 | Confident | 75.3 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.2 | -177.7 | -173.1 | 0 | 0 | 0 | 0 | 106.8 | A104 V162 A170 R171 L173 W191 F195 | A104-V164 HydrophobicContact CB-CG1 4.32Å; V162-V164 HydrophobicContact CG2-CG2 3.75Å; V164-A170 CarbonylContact O-C 3.54Å; V164-A170 VanDerWaalsContact O-CA 3.3Å; V164-A170 WeakPolarHBondContact O-CA 2.87Å; V164-R171 PolarHBondContact N-O 2.88Å; V164-R171 PolarHBondContact O-N 2.94Å; V164-L173 HydrophobicContact CB-CD1 4.2Å; V164-L173 HydrophobicContact CG2-CB 4.02Å; V164-L173 HydrophobicContact CG2-CD1 4.03Å; V164-L173 HydrophobicContact CG2-CG 4.3Å; V164-W191 HydrophobicContact CB-CE3 4.47Å; V164-W191 HydrophobicContact CB-CH2 4.32Å; V164-W191 HydrophobicContact CB-CZ3 3.94Å; V164-W191 HydrophobicContact CG1-CE3 3.84Å; V164-W191 HydrophobicContact CG1-CH2 4.16Å; V164-W191 HydrophobicContact CG1-CZ3 3.35Å; V164-W191 HydrophobicContact CG2-CE3 4.04Å; V164-W191 HydrophobicContact CG2-CH2 3.23Å; V164-W191 HydrophobicContact CG2-CZ2 3.85Å; V164-W191 HydrophobicContact CG2-CZ3 3.32Å; V164-F195 HydrophobicContact CB-CE2 4.07Å; V164-F195 HydrophobicContact CB-CZ 3.78Å; V164-F195 HydrophobicContact CG1-CE2 3.63Å; V164-F195 HydrophobicContact CG1-CZ 3.56Å |
| 165 | I | 68.4 | Low | 75.6 | Confident | 42 Ų | 42 | 52.5 Ų | 52.5 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.7 | 179.8 | -55.4 | 178.5 | 0 | 0 | 0 | 107.4 | E105 G167 Q169 A170 | E105-I165 HydrophobicContact CB-CD1 3.79Å; E105-I165 HydrophobicContact CB-CG1 4.41Å; E105-I165 WeakPolarHBondContact OE2-CD1 3.36Å; I165-G167 WeakPolarHBondContact CG2-O 3.44Å; I165-Q169 WeakPolarHBondContact CA-O 3.03Å; I165-A170 HydrophobicContact CG1-CB 4.24Å |
| 166 | L | 64.7 | Low | 75.7 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 19% | 0.194 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 106.1 | 173.6 | -175.5 | 73.8 | 0 | 0 | 0 | 107.7 | V102 E168 Q169 F195 L197 | V102-L166 HydrophobicContact CB-CD1 4.12Å; V102-L166 HydrophobicContact CG1-CD1 3.74Å; V102-L166 HydrophobicContact CG2-CD1 3.49Å; V102-L166 VanDerWaalsContact CG2-CD1 3.49Å; L166-E168 PolarHBondContact O-N 3.28Å; L166-Q169 PolarHBondContact N-O 2.89Å; L166-Q169 PolarHBondContact O-N 3.39Å; L166-F195 HydrophobicContact CB-CD1 3.58Å; L166-F195 HydrophobicContact CB-CD2 4.5Å; L166-F195 HydrophobicContact CB-CE1 3.51Å; L166-F195 HydrophobicContact CB-CE2 4.46Å; L166-F195 HydrophobicContact CB-CG 4.09Å; L166-F195 HydrophobicContact CB-CZ 3.99Å; L166-F195 HydrophobicContact CD2-CB 3.73Å; L166-F195 HydrophobicContact CD2-CD1 3.93Å; L166-F195 HydrophobicContact CD2-CD2 4.33Å; L166-F195 HydrophobicContact CD2-CG 3.74Å; L166-F195 HydrophobicContact CG-CD1 4.39Å; L166-L197 HydrophobicContact CD2-CD1 3.72Å; L166-L197 HydrophobicContact CD2-CD2 4.04Å; L166-L197 HydrophobicContact CD2-CG 4.06Å |
| 167 | G | 67.3 | Low | 75.6 | Confident | 69 Ų | 69 | 47.8 Ų | 47.8 | 71% | 0.711 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | -124.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I165 | I165-G167 WeakPolarHBondContact CG2-O 3.44Š|
| 168 | E | 72.5 | Confident | 75.4 | Confident | 203 Ų | 203 | 43.9 Ų | 43.9 | 95% | 0.949 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -6.8 | 178.5 | -60.1 | -174.3 | 169.1 | 0 | 0 | 113.7 | L166 | L166-E168 PolarHBondContact O-N 3.28Š|
| 169 | Q | 71.1 | Confident | 74.7 | Confident | 86 Ų | 86 | 47.1 Ų | 47.1 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 133.3 | -177.2 | -61.5 | -171.8 | -3.6 | 0 | 0 | 111 | I165 L166 F195 | I165-Q169 WeakPolarHBondContact CA-O 3.03Å; L166-Q169 PolarHBondContact N-O 2.89Å; L166-Q169 PolarHBondContact O-N 3.39Å; Q169-F195 HydrophobicContact CB-CD1 4.02Å; Q169-F195 HydrophobicContact CB-CE1 4.09Å; Q169-F195 PolarHBondContact OE1-O 2.85Å |
| 170 | A | 77.5 | Confident | 74 | Confident | 41 Ų | 41 | 48 Ų | 48 | 34% | 0.339 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V164 I165 | V164-A170 CarbonylContact O-C 3.54Å; V164-A170 VanDerWaalsContact O-CA 3.3Å; V164-A170 WeakPolarHBondContact O-CA 2.87Å; I165-A170 HydrophobicContact CG1-CB 4.24Å |
| 171 | R | 78.7 | Confident | 73 | Confident | 113 Ų | 113 | 56 Ų | 56 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 154.3 | 177.6 | -62.8 | -63.5 | -172.2 | -135.1 | 1.3 | 110.7 | R163 V164 L173 A194 F195 | R163-R171 CarbonylContact C-O 3.58Å; R163-R171 WeakPolarHBondContact CA-O 3.37Å; V164-R171 PolarHBondContact N-O 2.88Å; V164-R171 PolarHBondContact O-N 2.94Å; R171-L173 HydrophobicContact CB-CD1 4.03Å; R171-L173 HydrophobicContact CB-CD2 4.35Å; R171-L173 HydrophobicContact CB-CG 3.95Å; R171-A194 HydrophobicContact CG-CB 4.28Å; R171-A194 PolarHBondContact NE-O 2.89Å; R171-F195 HydrophobicContact CB-CE1 4.11Å; R171-F195 HydrophobicContact CB-CE2 4.33Å; R171-F195 HydrophobicContact CB-CZ 3.8Å; R171-F195 HydrophobicContact CG-CD1 4.01Å; R171-F195 HydrophobicContact CG-CE1 3.61Å; R171-F195 HydrophobicContact CG-CE2 4.36Å; R171-F195 HydrophobicContact CG-CZ 3.8Å |
| 172 | Q | 79.9 | Confident | 71.9 | Confident | 112 Ų | 112 | 62.7 Ų | 62.7 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 114.8 | 170.3 | -71.1 | -69.6 | -21.7 | 0 | 0 | 107.1 | V162 R163 | V162-Q172 WeakPolarHBondContact O-CA 3.47Å; V162-Q172 PolarHBondContact O-OE1 2.96Å; R163-Q172 VanDerWaalsContact CB-NE2 3.34Å |
| 173 | L | 77.3 | Confident | 71 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 11% | 0.105 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 152.7 | -172.5 | -60.8 | 173 | 0 | 0 | 0 | 110.3 | V162 V164 R171 W191 A194 F195 | V162-L173 WeakPolarHBondContact CG2-O 3.49Å; V162-L173 PolarHBondContact N-O 3.2Å; V162-L173 PolarHBondContact O-N 3.42Å; V164-L173 HydrophobicContact CB-CD1 4.2Å; V164-L173 HydrophobicContact CG2-CB 4.02Å; V164-L173 HydrophobicContact CG2-CD1 4.03Å; V164-L173 HydrophobicContact CG2-CG 4.3Å; R171-L173 HydrophobicContact CB-CD1 4.03Å; R171-L173 HydrophobicContact CB-CD2 4.35Å; R171-L173 HydrophobicContact CB-CG 3.95Å; L173-W191 HydrophobicContact CB-CD2 4.07Å; L173-W191 VanDerWaalsContact CB-CE2 3.49Å; L173-W191 HydrophobicContact CB-CG 4.42Å; L173-W191 HydrophobicContact CB-CZ2 3.8Å; L173-W191 HydrophobicContact CD1-CB 4.08Å; L173-W191 HydrophobicContact CD1-CD2 3.42Å; L173-W191 VanDerWaalsContact CD1-CD2 3.42Å; L173-W191 HydrophobicContact CD1-CE3 3.79Å; L173-W191 HydrophobicContact CD1-CG 3.55Å; L173-W191 HydrophobicContact CD1-CZ3 4.48Å; L173-W191 HydrophobicContact CG-CD2 4.34Å; L173-W191 HydrophobicContact CG-CG 4.45Å; L173-A194 HydrophobicContact CD1-CB 4.19Å; L173-A194 HydrophobicContact CD2-CB 3.63Å; L173-F195 HydrophobicContact CD1-CD2 4.25Å; L173-F195 HydrophobicContact CD1-CE2 3.54Å; L173-F195 HydrophobicContact CD1-CZ 4.26Å |
| 174 | T | 76.9 | Confident | 70.3 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 16% | 0.16 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 139.8 | 174.3 | -60 | 0 | 0 | 0 | 0 | 109 | G118 Q159 A160 N161 L176 W191 | G118-T174 WeakPolarHBondContact CA-O 3.33Å; Q159-T174 HydrophobicContact CB-CG2 4.26Å; A160-T174 CarbonylContact O-C 3.53Å; N161-T174 PolarHBondContact OD1-OG1 2.82Å; N161-T174 VanDerWaalsContact OD1-OG1 3.07Å; T174-L176 HydrophobicContact CG2-CD2 4.41Å; T174-W191 WeakPolarHBondContact O-CZ2 3.41Å; T174-W191 PolarHBondContact O-NE1 3.42Å |
| 175 | L | 79.9 | Confident | 69.9 | Low | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131 | 172.4 | -170.7 | 77 | 0 | 0 | 0 | 108.2 | I119 V121 L136 W139 Q159 A160 V162 V177 W191 | I119-L175 HydrophobicContact CB-CD1 3.6Å; I119-L175 HydrophobicContact CG2-CD1 4.03Å; I119-L175 WeakPolarHBondContact O-CD1 3.49Å; V121-L175 HydrophobicContact CG2-CD1 3.71Å; V121-L175 HydrophobicContact CG2-CD2 4.22Å; V121-L175 HydrophobicContact CG2-CG 4.25Å; L136-L175 HydrophobicContact CD1-CD2 4.06Å; W139-L175 HydrophobicContact CZ3-CD2 4.41Å; Q159-L175 CarbonylContact C-O 3.57Å; Q159-L175 WeakPolarHBondContact CA-O 3.27Å; Q159-L175 WeakPolarHBondContact CB-O 3.34Å; A160-L175 PolarHBondContact N-O 3Å; A160-L175 PolarHBondContact O-N 2.89Å; V162-L175 HydrophobicContact CG1-CB 3.78Å; V162-L175 HydrophobicContact CG1-CD2 4.09Å; V162-L175 HydrophobicContact CG2-CB 3.87Å; L175-V177 HydrophobicContact CD2-CG2 4.01Å; L175-V177 HydrophobicContact CG-CG2 4.31Å; L175-W191 HydrophobicContact CD1-CH2 4.12Å; L175-W191 HydrophobicContact CD1-CZ2 4.09Å |
| 176 | L | 77.2 | Confident | 69.6 | Low | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127.7 | 175.1 | -66.5 | 178.9 | 0 | 0 | 0 | 109.2 | V117 I119 I120 V121 L146 L156 Q159 T174 | V117-L176 HydrophobicContact CB-CD1 4.4Å; V117-L176 HydrophobicContact CG1-CD1 3.75Å; I119-L176 CarbonylContact O-C 3.59Å; I119-L176 PolarHBondContact O-N 2.79Å; I120-L176 WeakPolarHBondContact CA-O 3.42Å; V121-L176 PolarHBondContact N-O 3.28Å; L146-L176 HydrophobicContact CD1-CB 4.44Å; L146-L176 HydrophobicContact CD1-CD1 4Å; L146-L176 HydrophobicContact CD2-CD1 4.05Å; L146-L176 HydrophobicContact CG-CD1 4.2Å; L156-L176 HydrophobicContact CD2-CB 4.06Å; Q159-L176 HydrophobicContact CB-CD2 3.66Å; T174-L176 HydrophobicContact CG2-CD2 4.41Å |
| 177 | V | 76.8 | Confident | 69.7 | Low | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 130.1 | -177.6 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | P133 W139 L156 K157 G158 L175 | P133-V177 HydrophobicContact CB-CG1 4.49Å; W139-V177 HydrophobicContact CD2-CB 4.31Å; W139-V177 HydrophobicContact CD2-CG2 4.18Å; W139-V177 HydrophobicContact CE3-CB 4.36Å; W139-V177 HydrophobicContact CE3-CG2 3.78Å; W139-V177 HydrophobicContact CH2-CB 4.3Å; W139-V177 HydrophobicContact CH2-CG1 4.39Å; W139-V177 HydrophobicContact CH2-CG2 3.41Å; W139-V177 VanDerWaalsContact CH2-CG2 3.41Å; W139-V177 HydrophobicContact CZ2-CB 4.19Å; W139-V177 HydrophobicContact CZ2-CG1 3.92Å; W139-V177 HydrophobicContact CZ2-CG2 3.79Å; W139-V177 HydrophobicContact CZ3-CB 4.39Å; W139-V177 HydrophobicContact CZ3-CG2 3.41Å; W139-V177 VanDerWaalsContact CZ3-CG2 3.41Å; L156-V177 CarbonylContact C-O 3.48Å; L156-V177 WeakPolarHBondContact CD2-O 3.35Å; K157-V177 HydrophobicContact CB-CG1 4.26Å; K157-V177 HydrophobicContact CD-CG1 4.4Å; K157-V177 PolarHBondContact N-O 3.28Å; G158-V177 PolarHBondContact N-O 2.92Å; G158-V177 PolarHBondContact O-N 3.28Å; L175-V177 HydrophobicContact CD2-CG2 4.01Å; L175-V177 HydrophobicContact CG-CG2 4.31Å |
| 178 | T | 74.2 | Confident | 69.7 | Low | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 155.8 | 176.4 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | I120 V154 P155 L180 | I120-T178 HydrophobicContact CG2-CG2 3.36Å; V154-T178 WeakPolarHBondContact CG1-OG1 3.35Å; P155-T178 WeakPolarHBondContact O-CA 3.36Å; P155-T178 VanDerWaalsContact O-CB 3.3Å; P155-T178 WeakPolarHBondContact O-CB 3.46Å; P155-T178 PolarHBondContact O-OG1 3.17Å; T178-L180 HydrophobicContact CG2-CB 4.08Å; T178-L180 HydrophobicContact CG2-CD1 4.23Å; T178-L180 HydrophobicContact CG2-CG 4.35Å; T178-L180 WeakPolarHBondContact OG1-CG 3.47Å; T178-L180 PolarHBondContact OG1-N 3.01Å |
| 179 | D | 68.7 | Low | 69.3 | Low | 69 Ų | 69 | 63.8 Ų | 63.8 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | trans | -99.8 | 12.7 | 172.1 | 61.2 | -19.2 | 0 | 0 | 0 | 113.1 | P155 E181 | P155-D179 VanDerWaalsContact CB-OD1 3.23Å; P155-D179 WeakPolarHBondContact CB-OD1 3.45Å; P155-D179 WeakPolarHBondContact CG-OD1 3.25Å; D179-E181 PolarHBondContact O-N 3.32Å | ||
| 180 | L | 67.1 | Low | 69.2 | Low | 62 Ų | 62 | 61.3 Ų | 61.3 | 33% | 0.325 | 33% | 0.325 | S | S | . | . | trans | -54.5 | 122.7 | 170.3 | -75.4 | 171.7 | 0 | 0 | 0 | 111 | N122 V154 P155 T178 Q182 | N122-L180 VanDerWaalsContact CG-O 3.25Å; N122-L180 PolarHBondContact OD1-O 2.83Å; V154-L180 HydrophobicContact CB-CD1 4.44Å; V154-L180 HydrophobicContact CG1-CD1 3.58Å; V154-L180 HydrophobicContact CG1-CG 4.21Å; V154-L180 HydrophobicContact CG2-CD1 4.18Å; P155-L180 HydrophobicContact CG-CD2 4.43Å; T178-L180 HydrophobicContact CG2-CB 4.08Å; T178-L180 HydrophobicContact CG2-CD1 4.23Å; T178-L180 HydrophobicContact CG2-CG 4.35Å; T178-L180 WeakPolarHBondContact OG1-CG 3.47Å; T178-L180 PolarHBondContact OG1-N 3.01Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 3.02Å | ||
| 181 | E | 57.2 | Low | 69 | Low | 169 Ų | 169 | 59.5 Ų | 59.5 | 79% | 0.79 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -64.7 | -35.2 | 177.5 | -63.5 | -176.7 | 167.6 | 0 | 0 | 111.6 | N122 D179 | N122-E181 PolarHBondContact ND2-O 3.1Å; D179-E181 PolarHBondContact O-N 3.32Å |
| 182 | Q | 55.4 | Low | 68.5 | Low | 183 Ų | 183 | 55.3 Ų | 55.3 | 86% | 0.855 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -121.9 | 85 | 179.9 | -64.2 | -176.7 | -9.8 | 0 | 0 | 110.2 | L180 | L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 3.02Å |
| 183 | G | 55.7 | Low | 68 | Low | 25 Ų | 25 | 56 Ų | 56 | 26% | 0.258 | 30% | 0.302 | S | S | . | . | trans | -131.8 | 141.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N122 | N122-G183 WeakPolarHBondContact CB-O 3.5Å; N122-G183 PolarHBondContact ND2-N 3.26Å; N122-G183 VanDerWaalsContact ND2-N 3.13Å; N122-G183 PolarHBondContact ND2-O 3.22Å | ||
| 184 | S | 57.4 | Low | 67.9 | Low | 87 Ų | 87 | 56.2 Ų | 56.2 | 61% | 0.608 | 31% | 0.308 | S | S | * | . | trans | -88.8 | 148.6 | 166.3 | 48.2 | 0 | 0 | 0 | 0 | 110.2 | L186 | S184-L186 PolarHBondContact O-N 3.39Š| ||
| 185 | N | 63.2 | Low | 67.7 | Low | 36 Ų | 36 | 55.5 Ų | 55.5 | 19% | 0.193 | 30% | 0.302 | C | S | . | . | trans | -78.9 | 125.7 | 177.2 | -54.6 | -36.5 | 0 | 0 | 0 | 109.8 | I119 I120 V121 N122 S125 I128 | I119-N185 HydrophobicContact CG2-CB 4.3Å; I120-N185 WeakPolarHBondContact O-CA 3.33Å; I120-N185 WeakPolarHBondContact O-CB 3.42Å; I120-N185 PolarHBondContact O-OD1 3.07Å; V121-N185 VanDerWaalsContact CA-OD1 3.24Å; V121-N185 WeakPolarHBondContact CA-OD1 3.22Å; N122-N185 PolarHBondContact N-OD1 3.09Å; N122-N185 VanDerWaalsContact N-OD1 3.11Å; S125-N185 WeakPolarHBondContact CB-ND2 3.49Å; S125-N185 PolarHBondContact OG-ND2 3.38Å; S125-N185 PolarHBondContact OG-OD1 3.41Å; I128-N185 HydrophobicContact CD1-CB 3.58Å; I128-N185 WeakPolarHBondContact CD1-ND2 3.32Å | ||
| 186 | L | 63.7 | Low | 67.4 | Low | 99 Ų | 99 | 58.2 Ų | 58.2 | 52% | 0.518 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -113.6 | 126.2 | -175 | -64.9 | 179.3 | 0 | 0 | 0 | 110.1 | I119 I120 S184 | I119-L186 WeakPolarHBondContact CA-O 3.33Å; I120-L186 HydrophobicContact CD1-CD1 4.34Å; I120-L186 PolarHBondContact N-O 3.33Å; I120-L186 PolarHBondContact O-N 3Å; S184-L186 PolarHBondContact O-N 3.39Å |
| 187 | M | 66.8 | Low | 66.8 | Low | 70 Ų | 70 | 61.6 Ų | 61.6 | 35% | 0.345 | 35% | 0.347 | S | S | . | . | trans | -80.2 | 122.3 | 169.7 | -170 | 175.8 | -74.4 | 0 | 0 | 110.2 | I119 W191 L192 L197 | I119-M187 HydrophobicContact CD1-CE 4.34Å; I119-M187 HydrophobicContact CG1-CB 4.44Å; I119-M187 HydrophobicContact CG1-CG 4.49Å; M187-W191 HydrophobicContact CE-CE3 4.34Å; M187-W191 HydrophobicContact CG-CB 3.54Å; M187-W191 HydrophobicContact CG-CG 4.32Å; M187-W191 HydrophobicContact SD-CB 4.13Å; M187-L192 HydrophobicContact CG-CG 4.37Å; M187-L192 HydrophobicContact SD-CD2 3.82Å; M187-L192 HydrophobicContact SD-CG 4.21Å; M187-L197 HydrophobicContact SD-CD1 4.28Å | ||
| 188 | G | 65.6 | Low | 65.9 | Low | 17 Ų | 17 | 72.8 Ų | 72.8 | 18% | 0.175 | 39% | 0.39 | C | S | . | . | trans | -70.1 | 157.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D190 W191 L192 | G188-D190 VanDerWaalsContact C-OD1 3.26Å; G188-D190 VanDerWaalsContact CA-OD1 3.31Å; G188-D190 WeakPolarHBondContact CA-OD1 3.23Å; G188-D190 PolarHBondContact O-N 3.31Å; G188-W191 PolarHBondContact O-N 3.29Å; G188-W191 VanDerWaalsContact O-N 3.14Å; G188-L192 PolarHBondContact O-N 3.1Å; G188-L192 VanDerWaalsContact O-N 3.13Å | ||
| 189 | L | 65.7 | Low | 65 | Low | 123 Ų | 123 | 79.1 Ų | 79.1 | 64% | 0.644 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.1 | -31.1 | 174.8 | -71.5 | 167.1 | 0 | 0 | 0 | 111.9 | W191 L192 D193 | L189-W191 VanDerWaalsContact C-N 3.33Å; L189-W191 PolarHBondContact O-N 2.93Å; L189-L192 HydrophobicContact CD2-CD1 4.03Å; L189-L192 PolarHBondContact O-N 2.99Å; L189-D193 WeakPolarHBondContact O-CB 3.49Å; L189-D193 PolarHBondContact O-N 2.94Å |
| 190 | D | 68.4 | Low | 63.6 | Low | 35 Ų | 35 | 78.9 Ų | 78.9 | 19% | 0.187 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 173.9 | 61.7 | -29.1 | 0 | 0 | 0 | 112.7 | S116 V117 G188 A194 | S116-D190 VanDerWaalsContact CB-OD2 3.27Å; S116-D190 WeakPolarHBondContact CB-OD2 3.15Å; V117-D190 PolarHBondContact N-OD2 3.5Å; G188-D190 VanDerWaalsContact C-OD1 3.26Å; G188-D190 VanDerWaalsContact CA-OD1 3.31Å; G188-D190 WeakPolarHBondContact CA-OD1 3.23Å; G188-D190 PolarHBondContact O-N 3.31Å; D190-A194 VanDerWaalsContact O-CB 3.22Å; D190-A194 WeakPolarHBondContact O-CB 3.35Å; D190-A194 PolarHBondContact O-N 2.95Å |
| 191 | W | 73.1 | Confident | 62.2 | Low | 3 Ų | 3 | 80.7 Ų | 80.7 | 1% | 0.011 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -70.6 | -43.8 | 172.9 | -75.7 | 49.2 | 0 | 0 | 0 | 111.1 | I119 V162 V164 L173 T174 L175 M187 G188 L189 D193 A194 F195 | I119-W191 HydrophobicContact CB-CH2 4.11Å; I119-W191 HydrophobicContact CB-CZ2 4.08Å; I119-W191 HydrophobicContact CB-CZ3 4.49Å; I119-W191 HydrophobicContact CD1-CD2 3.97Å; I119-W191 HydrophobicContact CD1-CE3 3.32Å; I119-W191 HydrophobicContact CD1-CH2 3.46Å; I119-W191 VanDerWaalsContact CD1-CH2 3.46Å; I119-W191 HydrophobicContact CD1-CZ2 4.12Å; I119-W191 HydrophobicContact CD1-CZ3 3.01Å; I119-W191 HydrophobicContact CG1-CD2 3.7Å; I119-W191 HydrophobicContact CG1-CE3 3.62Å; I119-W191 HydrophobicContact CG1-CG 4.43Å; I119-W191 HydrophobicContact CG1-CH2 3.71Å; I119-W191 HydrophobicContact CG1-CZ2 3.83Å; I119-W191 HydrophobicContact CG1-CZ3 3.61Å; V162-W191 HydrophobicContact CG2-CH2 3.94Å; V162-W191 HydrophobicContact CG2-CZ2 3.98Å; V164-W191 HydrophobicContact CB-CE3 4.47Å; V164-W191 HydrophobicContact CB-CH2 4.32Å; V164-W191 HydrophobicContact CB-CZ3 3.94Å; V164-W191 HydrophobicContact CG1-CE3 3.84Å; V164-W191 HydrophobicContact CG1-CH2 4.16Å; V164-W191 HydrophobicContact CG1-CZ3 3.35Å; V164-W191 HydrophobicContact CG2-CE3 4.04Å; V164-W191 HydrophobicContact CG2-CH2 3.23Å; V164-W191 HydrophobicContact CG2-CZ2 3.85Å; V164-W191 HydrophobicContact CG2-CZ3 3.32Å; L173-W191 HydrophobicContact CB-CD2 4.07Å; L173-W191 VanDerWaalsContact CB-CE2 3.49Å; L173-W191 HydrophobicContact CB-CG 4.42Å; L173-W191 HydrophobicContact CB-CZ2 3.8Å; L173-W191 HydrophobicContact CD1-CB 4.08Å; L173-W191 HydrophobicContact CD1-CD2 3.42Å; L173-W191 VanDerWaalsContact CD1-CD2 3.42Å; L173-W191 HydrophobicContact CD1-CE3 3.79Å; L173-W191 HydrophobicContact CD1-CG 3.55Å; L173-W191 HydrophobicContact CD1-CZ3 4.48Å; L173-W191 HydrophobicContact CG-CD2 4.34Å; L173-W191 HydrophobicContact CG-CG 4.45Å; T174-W191 WeakPolarHBondContact O-CZ2 3.41Å; T174-W191 PolarHBondContact O-NE1 3.42Å; L175-W191 HydrophobicContact CD1-CH2 4.12Å; L175-W191 HydrophobicContact CD1-CZ2 4.09Å; M187-W191 HydrophobicContact CE-CE3 4.34Å; M187-W191 HydrophobicContact CG-CB 3.54Å; M187-W191 HydrophobicContact CG-CG 4.32Å; M187-W191 HydrophobicContact SD-CB 4.13Å; G188-W191 PolarHBondContact O-N 3.29Å; G188-W191 VanDerWaalsContact O-N 3.14Å; L189-W191 VanDerWaalsContact C-N 3.33Å; L189-W191 PolarHBondContact O-N 2.93Å; W191-D193 VanDerWaalsContact C-N 3.33Å; W191-D193 PolarHBondContact O-N 3.35Å; W191-A194 PolarHBondContact O-N 3.31Å; W191-F195 VanDerWaalsContact O-CD2 3.27Å; W191-F195 WeakPolarHBondContact O-CD2 3.23Å; W191-F195 PolarHBondContact O-N 3.34Å; W191-F195 VanDerWaalsContact O-N 3.11Å |
| 192 | L | 68.6 | Low | 61.2 | Low | 25 Ų | 25 | 78.2 Ų | 78.2 | 13% | 0.131 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -57.1 | -47.5 | 175.4 | -69.9 | 171 | 0 | 0 | 0 | 110.9 | M187 G188 L189 F195 G196 L197 L199 | M187-L192 HydrophobicContact CG-CG 4.37Å; M187-L192 HydrophobicContact SD-CD2 3.82Å; M187-L192 HydrophobicContact SD-CG 4.21Å; G188-L192 PolarHBondContact O-N 3.1Å; G188-L192 VanDerWaalsContact O-N 3.13Å; L189-L192 HydrophobicContact CD2-CD1 4.03Å; L189-L192 PolarHBondContact O-N 2.99Å; L192-F195 CarbonylContact O-C 3.56Å; L192-F195 PolarHBondContact O-N 2.95Å; L192-G196 PolarHBondContact O-N 3.33Å; L192-L197 HydrophobicContact CB-CB 4.32Å; L192-L197 HydrophobicContact CD2-CB 3.68Å; L192-L197 HydrophobicContact CD2-CD1 3.73Å; L192-L197 HydrophobicContact CD2-CG 4.38Å; L192-L197 PolarHBondContact O-N 3.37Å; L192-L199 HydrophobicContact CD1-CD1 3.98Å; L192-L199 HydrophobicContact CD1-CG 4.3Å |
| 193 | D | 69.8 | Low | 60 | Low | 125 Ų | 125 | 76.3 Ų | 76.3 | 67% | 0.668 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 177 | -72.5 | -21 | 0 | 0 | 0 | 111.7 | L189 W191 F195 G196 | L189-D193 WeakPolarHBondContact O-CB 3.49Å; L189-D193 PolarHBondContact O-N 2.94Å; W191-D193 VanDerWaalsContact C-N 3.33Å; W191-D193 PolarHBondContact O-N 3.35Å; D193-F195 PolarHBondContact O-N 3.35Å; D193-G196 PolarHBondContact O-N 2.89Å |
| 194 | A | 73.8 | Confident | 58.7 | Low | 26 Ų | 26 | 80.2 Ų | 80.2 | 22% | 0.215 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.6 | -31.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R171 L173 D190 W191 | R171-A194 HydrophobicContact CG-CB 4.28Å; R171-A194 PolarHBondContact NE-O 2.89Å; L173-A194 HydrophobicContact CD1-CB 4.19Å; L173-A194 HydrophobicContact CD2-CB 3.63Å; D190-A194 VanDerWaalsContact O-CB 3.22Å; D190-A194 WeakPolarHBondContact O-CB 3.35Å; D190-A194 PolarHBondContact O-N 2.95Å; W191-A194 PolarHBondContact O-N 3.31Å |
| 195 | F | 73 | Confident | 57.4 | Low | 11 Ų | 11 | 80.6 Ų | 80.6 | 5% | 0.048 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 1.3 | 175.6 | -72.3 | -68.6 | 0 | 0 | 0 | 113.7 | V164 L166 Q169 R171 L173 W191 L192 D193 L197 | V164-F195 HydrophobicContact CB-CE2 4.07Å; V164-F195 HydrophobicContact CB-CZ 3.78Å; V164-F195 HydrophobicContact CG1-CE2 3.63Å; V164-F195 HydrophobicContact CG1-CZ 3.56Å; L166-F195 HydrophobicContact CB-CD1 3.58Å; L166-F195 HydrophobicContact CB-CD2 4.5Å; L166-F195 HydrophobicContact CB-CE1 3.51Å; L166-F195 HydrophobicContact CB-CE2 4.46Å; L166-F195 HydrophobicContact CB-CG 4.09Å; L166-F195 HydrophobicContact CB-CZ 3.99Å; L166-F195 HydrophobicContact CD2-CB 3.73Å; L166-F195 HydrophobicContact CD2-CD1 3.93Å; L166-F195 HydrophobicContact CD2-CD2 4.33Å; L166-F195 HydrophobicContact CD2-CG 3.74Å; L166-F195 HydrophobicContact CG-CD1 4.39Å; Q169-F195 HydrophobicContact CB-CD1 4.02Å; Q169-F195 HydrophobicContact CB-CE1 4.09Å; Q169-F195 PolarHBondContact OE1-O 2.85Å; R171-F195 HydrophobicContact CB-CE1 4.11Å; R171-F195 HydrophobicContact CB-CE2 4.33Å; R171-F195 HydrophobicContact CB-CZ 3.8Å; R171-F195 HydrophobicContact CG-CD1 4.01Å; R171-F195 HydrophobicContact CG-CE1 3.61Å; R171-F195 HydrophobicContact CG-CE2 4.36Å; R171-F195 HydrophobicContact CG-CZ 3.8Å; L173-F195 HydrophobicContact CD1-CD2 4.25Å; L173-F195 HydrophobicContact CD1-CE2 3.54Å; L173-F195 HydrophobicContact CD1-CZ 4.26Å; W191-F195 VanDerWaalsContact O-CD2 3.27Å; W191-F195 WeakPolarHBondContact O-CD2 3.23Å; W191-F195 PolarHBondContact O-N 3.34Å; W191-F195 VanDerWaalsContact O-N 3.11Å; L192-F195 CarbonylContact O-C 3.56Å; L192-F195 PolarHBondContact O-N 2.95Å; D193-F195 PolarHBondContact O-N 3.35Å; F195-L197 HydrophobicContact CB-CD1 4.21Å; F195-L197 HydrophobicContact CB-CG 3.95Å; F195-L197 PolarHBondContact O-N 2.86Å |
| 196 | G | 73.7 | Confident | 55.7 | Low | 56 Ų | 56 | 84 Ų | 84 | 58% | 0.577 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 22.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L192 D193 R198 | L192-G196 PolarHBondContact O-N 3.33Å; D193-G196 PolarHBondContact O-N 2.89Å; G196-R198 PolarHBondContact O-N 3.3Å; G196-R198 VanDerWaalsContact O-N 3.12Å |
| 197 | L | 65.4 | Low | 53.9 | Low | 71 Ų | 71 | 87.5 Ų | 87.5 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | trans | -73.8 | 101.7 | 176.3 | -66.1 | 176.1 | 0 | 0 | 0 | 108.5 | L166 M187 L192 F195 | L166-L197 HydrophobicContact CD2-CD1 3.72Å; L166-L197 HydrophobicContact CD2-CD2 4.04Å; L166-L197 HydrophobicContact CD2-CG 4.06Å; M187-L197 HydrophobicContact SD-CD1 4.28Å; L192-L197 HydrophobicContact CB-CB 4.32Å; L192-L197 HydrophobicContact CD2-CB 3.68Å; L192-L197 HydrophobicContact CD2-CD1 3.73Å; L192-L197 HydrophobicContact CD2-CG 4.38Å; L192-L197 PolarHBondContact O-N 3.37Å; F195-L197 HydrophobicContact CB-CD1 4.21Å; F195-L197 HydrophobicContact CB-CG 3.95Å; F195-L197 PolarHBondContact O-N 2.86Å | ||
| 198 | R | 58.2 | Low | 52.3 | Low | 237 Ų | 237 | 91.8 Ų | 91.8 | 89% | 0.894 | 51% | 0.512 | S | S | * | . | trans | -85.1 | 119.4 | 170.5 | -67.6 | -173.4 | 179 | -179.3 | 0.7 | 108.5 | G196 S200 | G196-R198 PolarHBondContact O-N 3.3Å; G196-R198 VanDerWaalsContact O-N 3.12Å; R198-S200 VanDerWaalsContact C-N 3.29Å; R198-S200 PolarHBondContact O-N 2.66Å | ||
| 199 | L | 53.8 | Low | 50.8 | Low | 133 Ų | 133 | 99.5 Ų | 99.5 | 70% | 0.696 | 54% | 0.543 | S | S | * | . | trans | -67.8 | 95.5 | 162.7 | -63 | 174.7 | 0 | 0 | 0 | 106.9 | L192 | L192-L199 HydrophobicContact CD1-CD1 3.98Å; L192-L199 HydrophobicContact CD1-CG 4.3Å | ||
| 200 | S | 39.5 | Very low | 49.5 | Very low | 64 Ų | 64 | 102.9 Ų | 102.9 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | trans | -58.2 | 129.4 | 166.7 | 171.9 | 0 | 0 | 0 | 0 | 107.2 | R198 Y202 | R198-S200 VanDerWaalsContact C-N 3.29Å; R198-S200 PolarHBondContact O-N 2.66Å; S200-Y202 PolarHBondContact O-N 2.86Å; S200-Y202 VanDerWaalsContact O-N 3.09Å; S200-Y202 PolarHBondContact OG-N 3.02Å; S200-Y202 VanDerWaalsContact OG-N 3.14Å; S200-Y202 PolarHBondContact OG-O 3.43Å | ||
| 201 | P | 38.2 | Very low | 48.1 | Very low | 99 Ų | 99 | 110.5 Ų | 110.5 | 64% | 0.643 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -67.6 | -3.5 | 174 | 5 | 4.3 | 0 | 0 | 0 | 113 | ||
| 202 | Y | 35.9 | Very low | 46.4 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 46% | 0.459 | 63% | 0.631 | S | S | . | * | trans | -147.5 | 100.2 | -174.8 | -55.3 | -79.3 | 0 | 0 | 0 | 110.8 | S200 T205 M213 | S200-Y202 PolarHBondContact O-N 2.86Å; S200-Y202 VanDerWaalsContact O-N 3.09Å; S200-Y202 PolarHBondContact OG-N 3.02Å; S200-Y202 VanDerWaalsContact OG-N 3.14Å; S200-Y202 PolarHBondContact OG-O 3.43Å; Y202-T205 HydrophobicContact CD1-CG2 4.49Å; Y202-M213 HydrophobicContact CD2-CE 4.31Å; Y202-M213 HydrophobicContact CE2-CE 4.28Å; Y202-M213 HydrophobicContact CE2-SD 4.37Å | ||
| 203 | D | 30.5 | Very low | 44.9 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 77% | 0.77 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -127.6 | 58.2 | 158.8 | -103.4 | -23.7 | 0 | 0 | 0 | 107.8 | ||
| 204 | S | 29.4 | Very low | 43.1 | Very low | 107 Ų | 107 | 121.3 Ų | 121.3 | 75% | 0.748 | 66% | 0.66 | S | S | * | * | trans | -171.9 | 56.9 | 169.9 | -72 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 205 | T | 28.2 | Very low | 41.2 | Very low | 94 Ų | 94 | 124.2 Ų | 124.2 | 58% | 0.577 | 68% | 0.683 | S | S | * | * | trans | -129.2 | 103.9 | 167.2 | 37.8 | 0 | 0 | 0 | 0 | 109.3 | Y202 L207 | Y202-T205 HydrophobicContact CD1-CG2 4.49Å; T205-L207 PolarHBondContact O-N 3.34Å | ||
| 206 | S | 27.8 | Very low | 39.4 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | trans | -53.6 | 113.2 | 149.9 | 46.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 207 | L | 25.9 | Very low | 37.7 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 90% | 0.901 | 71% | 0.714 | S | S | * | * | trans | 38.2 | 85.2 | 151.7 | -59.6 | 168.8 | 0 | 0 | 0 | 116.4 | T205 | T205-L207 PolarHBondContact O-N 3.34Š| ||
| 208 | I | 33 | Very low | 36.1 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 82% | 0.815 | 73% | 0.734 | S | S | * | * | trans | -136.5 | 130.4 | 149.1 | -48.4 | 178.5 | 0 | 0 | 0 | 107.8 | ||||
| 209 | E | 35.2 | Very low | 35.1 | Very low | 180 Ų | 180 | 130.5 Ų | 130.5 | 84% | 0.841 | 72% | 0.724 | S | S | * | * | trans | -55.2 | 135.7 | -165.9 | -62.3 | 170 | 149 | 0 | 0 | 114.6 | E211 | E209-E211 VanDerWaalsContact C-N 3.25Å; E209-E211 PolarHBondContact O-N 3.09Å; E209-E211 VanDerWaalsContact O-N 3.11Å | ||
| 210 | E | 39 | Very low | 35 | Very low | 194 Ų | 194 | 131.9 Ų | 131.9 | 91% | 0.907 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -12.1 | -172 | -81.6 | 179.3 | 135.6 | 0 | 0 | 116.1 | ||
| 211 | E | 39.2 | Very low | 35.2 | Very low | 194 Ų | 194 | 136.5 Ų | 136.5 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -13.2 | -167.3 | -90.4 | -177.3 | 154.8 | 0 | 0 | 115.9 | E209 | E209-E211 VanDerWaalsContact C-N 3.25Å; E209-E211 PolarHBondContact O-N 3.09Å; E209-E211 VanDerWaalsContact O-N 3.11Å |
| 212 | Q | 36.8 | Very low | 35.7 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -101.7 | -8 | -176.6 | -71.6 | -166.7 | 5.5 | 0 | 0 | 115.9 | ||
| 213 | M | 36.1 | Very low | 36.5 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 55% | 0.547 | 74% | 0.743 | S | S | . | * | S | Bend | trans | -96.6 | -12.8 | -168.7 | -152 | 167.2 | 58.1 | 0 | 0 | 114.9 | Y202 A215 | Y202-M213 HydrophobicContact CD2-CE 4.31Å; Y202-M213 HydrophobicContact CE2-CE 4.28Å; Y202-M213 HydrophobicContact CE2-SD 4.37Å; M213-A215 PolarHBondContact O-N 3.48Å |
| 214 | G | 31.9 | Very low | 37.4 | Very low | 82 Ų | 82 | 140.4 Ų | 140.4 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -4.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 215 | A | 35.5 | Very low | 38.5 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -11.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | M213 | M213-A215 PolarHBondContact O-N 3.48Š|
| 216 | A | 34.8 | Very low | 39.5 | Very low | 86 Ų | 86 | 139 Ų | 139 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -100.8 | -9.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 217 | I | 37.7 | Very low | 40.7 | Very low | 111 Ų | 111 | 139 Ų | 139 | 57% | 0.569 | 72% | 0.721 | S | S | * | * | trans | -105.1 | 76.5 | 179.5 | -50.5 | 176.7 | 0 | 0 | 0 | 109.5 | ||||
| 218 | K | 31.9 | Very low | 42 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 80% | 0.796 | 70% | 0.7 | S | S | * | * | trans | -125.1 | 120.4 | 163.5 | -70.9 | -176.7 | 179 | 177.4 | 0 | 106.7 | ||||
| 219 | D | 37 | Very low | 42.9 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 68% | 0.679 | 68% | 0.68 | S | S | * | * | trans | 89.9 | 68.9 | -179.9 | -62 | -8.6 | 0 | 0 | 0 | 118 | K221 | D219-K221 HydrophobicContact CB-CG 4.44Å; D219-K221 PolarHBondContact O-N 3.5Å; D219-K221 IonicContact OD2-NZ 3.77Å | ||
| 220 | I | 50.5 | Low | 43.9 | Very low | 162 Ų | 162 | 125 Ų | 125 | 83% | 0.831 | 65% | 0.652 | S | S | * | * | trans | -74.5 | 108.6 | 151 | -61.2 | 175.7 | 0 | 0 | 0 | 107.4 | ||||
| 221 | K | 44 | Very low | 44.4 | Very low | 161 Ų | 161 | 117.2 Ų | 117.2 | 70% | 0.7 | 62% | 0.621 | S | S | * | * | trans | -98.9 | 131.7 | 176.2 | -71.2 | 179.6 | -178.4 | 170.4 | 0 | 110.4 | D219 K223 | D219-K221 HydrophobicContact CB-CG 4.44Å; D219-K221 PolarHBondContact O-N 3.5Å; D219-K221 IonicContact OD2-NZ 3.77Å; K221-K223 PolarHBondContact O-N 2.82Å | ||
| 222 | Y | 50.2 | Low | 45.1 | Very low | 194 Ų | 194 | 112 Ų | 112 | 76% | 0.761 | 60% | 0.599 | S | S | * | * | trans | -54.3 | 124.5 | 170.7 | 170.5 | -101.8 | 0 | 0 | 0 | 110.9 | R224 | Y222-R224 HydrophobicContact CD1-CG 4.38Å; Y222-R224 HydrophobicContact CE1-CB 4.35Å; Y222-R224 HydrophobicContact CE1-CG 3.5Å | ||
| 223 | K | 51.1 | Low | 45.8 | Very low | 78 Ų | 78 | 103.7 Ų | 103.7 | 34% | 0.339 | 56% | 0.563 | S | S | . | * | trans | -105.9 | 122.2 | 172.4 | -145.8 | 177.5 | -175.6 | 179.2 | 0 | 107.9 | E80 K221 H227 H228 | E80-K223 IonicContact OE1-NZ 2.62Å; E80-K223 PolarHBondContact OE1-NZ 3.13Å; E80-K223 IonicContact OE2-NZ 3.63Å; K221-K223 PolarHBondContact O-N 2.82Å; K223-H227 HydrophobicContact CD-CB 4.25Å; K223-H227 WeakPolarHBondContact CE-O 3.26Å; K223-H227 HydrophobicContact CG-CB 3.85Å; K223-H228 PolarHBondContact O-CE1 3.17Å | ||
| 224 | R | 50.5 | Low | 46.5 | Very low | 171 Ų | 171 | 102.8 Ų | 102.8 | 65% | 0.645 | 56% | 0.559 | S | S | * | * | trans | -59.7 | 145.6 | 177.1 | -75.7 | 178.3 | 171.3 | 178 | -2 | 110 | Y222 T226 H227 | Y222-R224 HydrophobicContact CD1-CG 4.38Å; Y222-R224 HydrophobicContact CE1-CB 4.35Å; Y222-R224 HydrophobicContact CE1-CG 3.5Å; R224-T226 PolarHBondContact O-N 3.31Å; R224-H227 WeakPolarHBondContact O-CB 3.41Å; R224-H227 PolarHBondContact O-N 3.42Å | ||
| 225 | G | 51.9 | Low | 47.7 | Very low | 52 Ų | 52 | 103.4 Ų | 103.4 | 54% | 0.536 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -47.6 | -35.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | H227 H228 | G225-H227 PolarHBondContact O-N 2.89Å; G225-H228 PolarHBondContact O-N 3.39Å; G225-H228 VanDerWaalsContact O-N 3.16Å |
| 226 | T | 49.9 | Very low | 48.7 | Very low | 118 Ų | 118 | 107.4 Ų | 107.4 | 72% | 0.724 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -68.1 | -9.7 | 177.2 | 53.8 | 0 | 0 | 0 | 0 | 114.9 | R224 | R224-T226 PolarHBondContact O-N 3.31Š|
| 227 | H | 53.4 | Low | 49.7 | Very low | 109 Ų | 109 | 107.6 Ų | 107.6 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -112.4 | 5.6 | 177.5 | -62.8 | -58.4 | 0 | 0 | 0 | 112.4 | K223 R224 G225 | K223-H227 HydrophobicContact CD-CB 4.25Å; K223-H227 WeakPolarHBondContact CE-O 3.26Å; K223-H227 HydrophobicContact CG-CB 3.85Å; R224-H227 WeakPolarHBondContact O-CB 3.41Å; R224-H227 PolarHBondContact O-N 3.42Å; G225-H227 PolarHBondContact O-N 2.89Å |
| 228 | H | 52.9 | Low | 50.4 | Low | 98 Ų | 98 | 107.1 Ų | 107.1 | 45% | 0.454 | 54% | 0.54 | S | S | . | . | trans | -87 | 98.4 | 165.8 | -66.7 | 126 | 0 | 0 | 0 | 108.4 | Y149 K223 G225 N230 | Y149-H228 PolarHBondContact OH-O 3.42Å; K223-H228 PolarHBondContact O-CE1 3.17Å; G225-H228 PolarHBondContact O-N 3.39Å; G225-H228 VanDerWaalsContact O-N 3.16Å; H228-N230 VanDerWaalsContact C-N 3.29Å; H228-N230 PolarHBondContact O-N 3.46Å | ||
| 229 | N | 51.1 | Low | 51.6 | Low | 75 Ų | 75 | 107.7 Ų | 107.7 | 40% | 0.401 | 55% | 0.548 | S | S | . | . | trans | -83.1 | 3.1 | -179.6 | -86.3 | 26.9 | 0 | 0 | 0 | 114.1 | R70 | R70-N229 PolarHBondContact NE-ND2 3.4Å; R70-N229 VanDerWaalsContact NE-ND2 3.17Å | ||
| 230 | N | 56.3 | Low | 52.8 | Low | 45 Ų | 45 | 103.7 Ų | 103.7 | 24% | 0.241 | 54% | 0.537 | C | S | . | . | trans | -125.2 | 11.1 | -157.1 | -117.3 | 28.4 | 0 | 0 | 0 | 117.9 | I81 A84 Y149 H228 | I81-N230 WeakPolarHBondContact CG2-OD1 3.15Å; I81-N230 PolarHBondContact O-ND2 3.09Å; A84-N230 WeakPolarHBondContact CB-ND2 3.35Å; Y149-N230 PolarHBondContact OH-N 3.41Å; H228-N230 VanDerWaalsContact C-N 3.29Å; H228-N230 PolarHBondContact O-N 3.46Å | ||
| 231 | A | 50.2 | Low | 53.3 | Low | 31 Ų | 31 | 101.6 Ų | 101.6 | 26% | 0.256 | 53% | 0.534 | S | S | . | . | trans | -103.5 | 14.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y149 A233 | Y149-A231 VanDerWaalsContact CD1-C 3.44Å; Y149-A231 HydrophobicContact CD1-CB 3.94Å; Y149-A231 WeakPolarHBondContact CD1-O 3.31Å; Y149-A231 HydrophobicContact CD2-CB 3.07Å; Y149-A231 HydrophobicContact CE1-CB 3.95Å; Y149-A231 WeakPolarHBondContact CE1-O 3.36Å; Y149-A231 HydrophobicContact CE2-CB 3.06Å; Y149-A231 HydrophobicContact CG-CB 3.5Å; Y149-A231 PolarHBondContact OH-N 3.46Å; A231-A233 VanDerWaalsContact C-N 3.26Å | ||
| 232 | D | 54.3 | Low | 54.5 | Low | 83 Ų | 83 | 97.3 Ų | 97.3 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -12.6 | 170.3 | -167 | 40.5 | 0 | 0 | 0 | 112.5 | Y149 L234 R236 | Y149-D232 HydrophobicContact CE1-CB 4.03Å; D232-L234 VanDerWaalsContact C-N 3.35Å; D232-R236 IonicContact OD1-NE 3.63Å; D232-R236 IonicContact OD1-NH2 3.39Å; D232-R236 IonicContact OD2-NE 2.79Å; D232-R236 IonicContact OD2-NH2 2.68Å |
| 233 | A | 50.9 | Low | 55.4 | Low | 15 Ų | 15 | 92.6 Ų | 92.6 | 12% | 0.124 | 51% | 0.512 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -26.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q62 A231 | Q62-A233 PolarHBondContact NE2-O 3.27Å; A231-A233 VanDerWaalsContact C-N 3.26Å |
| 234 | L | 51.2 | Low | 56.4 | Low | 91 Ų | 91 | 95.8 Ų | 95.8 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -90.4 | -22 | -167.9 | -90.3 | 169.5 | 0 | 0 | 0 | 114.5 | M92 D232 R236 L237 | M92-L234 HydrophobicContact CE-CD1 4.14Å; M92-L234 HydrophobicContact CE-CD2 3.13Å; M92-L234 HydrophobicContact CE-CG 3.56Å; M92-L234 HydrophobicContact CG-CD2 3.95Å; M92-L234 HydrophobicContact SD-CD2 3.29Å; M92-L234 WeakPolarHBondContact SD-CD2 3.37Å; M92-L234 HydrophobicContact SD-CG 4.35Å; D232-L234 VanDerWaalsContact C-N 3.35Å; L234-R236 VanDerWaalsContact C-N 3.32Å; L234-L237 HydrophobicContact CD2-CD1 3.94Å |
| 235 | S | 57.2 | Low | 57.1 | Low | 95 Ų | 95 | 92.3 Ų | 92.3 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -3.2 | 179.8 | 66.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 236 | R | 56.1 | Low | 57.6 | Low | 170 Ų | 170 | 94.1 Ų | 94.1 | 64% | 0.642 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 7.7 | -175.7 | -59.7 | 178.2 | -174.4 | -87.2 | -1.3 | 113.1 | D232 L234 | D232-R236 IonicContact OD1-NE 3.63Å; D232-R236 IonicContact OD1-NH2 3.39Å; D232-R236 IonicContact OD2-NE 2.79Å; D232-R236 IonicContact OD2-NH2 2.68Å; L234-R236 VanDerWaalsContact C-N 3.32Å |
| 237 | L | 54.9 | Low | 58.3 | Low | 90 Ų | 90 | 95.5 Ų | 95.5 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -69.9 | 139.5 | 178.6 | -71.1 | 172.4 | 0 | 0 | 0 | 110.3 | M92 L234 | M92-L237 HydrophobicContact SD-CD1 3.61Å; L234-L237 HydrophobicContact CD2-CD1 3.94Å |
| 238 | P | 54.2 | Low | 58.6 | Low | 101 Ų | 101 | 95.9 Ų | 95.9 | 66% | 0.656 | 51% | 0.513 | S | S | * | . | trans | -57 | 140.3 | 174.4 | 22.4 | -31.3 | 0 | 0 | 0 | 110.6 | G240 | P238-G240 PolarHBondContact O-N 3.05Š| ||
| 239 | M | 55.1 | Low | 58.8 | Low | 195 Ų | 195 | 96 Ų | 96 | 96% | 0.961 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -73.4 | 90.3 | 179.8 | -77.8 | -178 | 53.6 | 0 | 0 | 110.4 | ||
| 240 | G | 63.8 | Low | 59 | Low | 44 Ų | 44 | 96.1 Ų | 96.1 | 45% | 0.454 | 53% | 0.525 | S | S | . | . | S | Bend | trans | 86.6 | 176.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | P238 D242 | P238-G240 PolarHBondContact O-N 3.05Å; G240-D242 PolarHBondContact O-N 3.07Å |
| 241 | P | 61.1 | Low | 58.7 | Low | 117 Ų | 117 | 100.7 Ų | 100.7 | 76% | 0.76 | 55% | 0.545 | S | S | * | . | trans | -61.1 | 131.4 | 171.3 | -9.8 | 24.2 | 0 | 0 | 0 | 108.4 | P243 | P241-P243 WeakPolarHBondContact O-CD 3.48Š| ||
| 242 | D | 68.7 | Low | 58.9 | Low | 71 Ų | 71 | 106.9 Ų | 106.9 | 38% | 0.38 | 56% | 0.562 | S | S | . | * | trans | -115.3 | 81.8 | 172.3 | -172.6 | -16.2 | 0 | 0 | 0 | 107.4 | G240 E244 F245 D246 | G240-D242 PolarHBondContact O-N 3.07Å; D242-E244 PolarHBondContact O-N 3.12Å; D242-E244 VanDerWaalsContact O-N 3.1Å; D242-E244 PolarHBondContact OD1-N 3.28Å; D242-F245 HydrophobicContact CB-CB 3.85Å; D242-F245 PolarHBondContact O-N 3.04Å; D242-F245 PolarHBondContact OD1-N 2.95Å; D242-F245 VanDerWaalsContact OD2-CB 3.27Å; D242-F245 WeakPolarHBondContact OD2-CB 3.37Å; D242-D246 WeakPolarHBondContact O-CB 3Å; D242-D246 PolarHBondContact O-N 2.87Å | ||
| 243 | P | 69.3 | Low | 58.7 | Low | 95 Ų | 95 | 107.8 Ų | 107.8 | 62% | 0.617 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.1 | -15.1 | -176.2 | -15.4 | 29.8 | 0 | 0 | 0 | 112.5 | P241 K247 | P241-P243 WeakPolarHBondContact O-CD 3.48Å; P243-K247 WeakPolarHBondContact O-CB 3.5Å; P243-K247 PolarHBondContact O-N 3.38Å |
| 244 | E | 70.7 | Confident | 59 | Low | 145 Ų | 145 | 112.4 Ų | 112.4 | 68% | 0.678 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -80.5 | -51.3 | 176.5 | -161.2 | 162.3 | -155.5 | 0 | 0 | 108.8 | D242 K247 E248 | D242-E244 PolarHBondContact O-N 3.12Å; D242-E244 VanDerWaalsContact O-N 3.1Å; D242-E244 PolarHBondContact OD1-N 3.28Å; E244-K247 PolarHBondContact O-N 3.22Å; E244-E248 WeakPolarHBondContact O-CB 3.38Å; E244-E248 WeakPolarHBondContact O-CG 3.41Å; E244-E248 PolarHBondContact O-N 2.95Å |
| 245 | F | 65.4 | Low | 59.4 | Low | 98 Ų | 98 | 109.7 Ų | 109.7 | 43% | 0.43 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.2 | -47 | 172.8 | -175.1 | -92.3 | 0 | 0 | 0 | 112.8 | D242 K247 E248 E249 | D242-F245 HydrophobicContact CB-CB 3.85Å; D242-F245 PolarHBondContact O-N 3.04Å; D242-F245 PolarHBondContact OD1-N 2.95Å; D242-F245 VanDerWaalsContact OD2-CB 3.27Å; D242-F245 WeakPolarHBondContact OD2-CB 3.37Å; F245-K247 PolarHBondContact O-N 3.28Å; F245-E248 PolarHBondContact O-N 2.75Å; F245-E249 HydrophobicContact CD1-CB 4.45Å; F245-E249 HydrophobicContact CE1-CB 4.2Å; F245-E249 HydrophobicContact CE1-CG 4.48Å; F245-E249 WeakPolarHBondContact CE1-OE2 3.44Å; F245-E249 VanDerWaalsContact O-CB 3.27Å; F245-E249 WeakPolarHBondContact O-CB 3.34Å; F245-E249 PolarHBondContact O-N 3.19Å |
| 246 | D | 63.8 | Low | 59.7 | Low | 90 Ų | 90 | 108 Ų | 108 | 48% | 0.481 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.7 | -32.9 | 179 | -69 | -25.7 | 0 | 0 | 0 | 111.2 | D242 A250 | D242-D246 WeakPolarHBondContact O-CB 3Å; D242-D246 PolarHBondContact O-N 2.87Å; D246-A250 WeakPolarHBondContact O-CB 3.43Å; D246-A250 PolarHBondContact O-N 3.34Å |
| 247 | K | 64.4 | Low | 60.2 | Low | 147 Ų | 147 | 103.8 Ų | 103.8 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -82.4 | -33.6 | 179.6 | -164.9 | -177.4 | -167.6 | -171.9 | 0 | 112.5 | P243 E244 F245 H251 | P243-K247 WeakPolarHBondContact O-CB 3.5Å; P243-K247 PolarHBondContact O-N 3.38Å; E244-K247 PolarHBondContact O-N 3.22Å; F245-K247 PolarHBondContact O-N 3.28Å; K247-H251 PolarHBondContact O-N 2.75Å; K247-H251 PolarHBondContact O-ND1 3.06Å |
| 248 | E | 58.8 | Low | 60.8 | Low | 117 Ų | 117 | 102.9 Ų | 102.9 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.5 | -45.3 | 170.9 | -76.1 | -176.2 | 174.1 | 0 | 0 | 111.6 | E244 F245 H251 W252 | E244-E248 WeakPolarHBondContact O-CB 3.38Å; E244-E248 WeakPolarHBondContact O-CG 3.41Å; E244-E248 PolarHBondContact O-N 2.95Å; F245-E248 PolarHBondContact O-N 2.75Å; E248-H251 WeakPolarHBondContact O-CA 3.27Å; E248-H251 WeakPolarHBondContact O-CB 3.29Å; E248-H251 PolarHBondContact O-N 2.91Å; E248-W252 PolarHBondContact O-N 2.91Å; E248-W252 PolarHBondContact O-NE1 3.47Å |
| 249 | E | 57.6 | Low | 61.4 | Low | 101 Ų | 101 | 100.3 Ų | 100.3 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 176.7 | -170.5 | 177.2 | -144.9 | 0 | 0 | 111.2 | F245 H251 W252 | F245-E249 HydrophobicContact CD1-CB 4.45Å; F245-E249 HydrophobicContact CE1-CB 4.2Å; F245-E249 HydrophobicContact CE1-CG 4.48Å; F245-E249 WeakPolarHBondContact CE1-OE2 3.44Å; F245-E249 VanDerWaalsContact O-CB 3.27Å; F245-E249 WeakPolarHBondContact O-CB 3.34Å; F245-E249 PolarHBondContact O-N 3.19Å; E249-H251 PolarHBondContact O-N 3.05Å; E249-W252 VanDerWaalsContact O-CB 3.29Å; E249-W252 WeakPolarHBondContact O-CB 3.35Å; E249-W252 PolarHBondContact O-N 3.16Å |
| 250 | A | 54.3 | Low | 61.9 | Low | 77 Ų | 77 | 91.8 Ų | 91.8 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D246 | D246-A250 WeakPolarHBondContact O-CB 3.43Å; D246-A250 PolarHBondContact O-N 3.34Å |
| 251 | H | 51.2 | Low | 62 | Low | 142 Ų | 142 | 94.2 Ų | 94.2 | 66% | 0.657 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -5.5 | 170.8 | -89.2 | 68.4 | 0 | 0 | 0 | 113.4 | K247 E248 E249 T253 | K247-H251 PolarHBondContact O-N 2.75Å; K247-H251 PolarHBondContact O-ND1 3.06Å; E248-H251 WeakPolarHBondContact O-CA 3.27Å; E248-H251 WeakPolarHBondContact O-CB 3.29Å; E248-H251 PolarHBondContact O-N 2.91Å; E249-H251 PolarHBondContact O-N 3.05Å; H251-T253 PolarHBondContact O-N 3.24Å; H251-T253 PolarHBondContact O-OG1 3.09Å |
| 252 | W | 53.7 | Low | 62.3 | Low | 160 Ų | 160 | 90.1 Ų | 90.1 | 61% | 0.606 | 47% | 0.472 | S | S | * | . | trans | -75.4 | 60.6 | 170.5 | -65.6 | 19.5 | 0 | 0 | 0 | 109.3 | E248 E249 | E248-W252 PolarHBondContact O-N 2.91Å; E248-W252 PolarHBondContact O-NE1 3.47Å; E249-W252 VanDerWaalsContact O-CB 3.29Å; E249-W252 WeakPolarHBondContact O-CB 3.35Å; E249-W252 PolarHBondContact O-N 3.16Å | ||
| 253 | T | 51 | Low | 62.2 | Low | 102 Ų | 102 | 94.2 Ų | 94.2 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | trans | -64.7 | 140.8 | 174.2 | -40.8 | 0 | 0 | 0 | 0 | 107.4 | H251 L255 | H251-T253 PolarHBondContact O-N 3.24Å; H251-T253 PolarHBondContact O-OG1 3.09Å; T253-L255 PolarHBondContact O-N 3.13Å; T253-L255 VanDerWaalsContact O-N 3.15Å | ||
| 254 | E | 55.9 | Low | 61.9 | Low | 113 Ų | 113 | 97.1 Ų | 97.1 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | trans | -38.7 | 122.4 | 172.4 | -174.7 | 179 | -174.1 | 0 | 0 | 110.3 | T256 | E254-T256 VanDerWaalsContact C-N 3.34Å; E254-T256 WeakPolarHBondContact O-CG2 3.34Å; E254-T256 PolarHBondContact O-N 3.03Å | ||
| 255 | L | 60 | Low | 61.6 | Low | 34 Ų | 34 | 95.2 Ų | 95.2 | 18% | 0.178 | 49% | 0.493 | C | S | . | . | trans | -54.7 | 99.8 | 174.9 | -114.4 | 158.1 | 0 | 0 | 0 | 107.9 | T253 D259 L260 N328 V330 | T253-L255 PolarHBondContact O-N 3.13Å; T253-L255 VanDerWaalsContact O-N 3.15Å; L255-D259 HydrophobicContact CD2-CB 3.78Å; L255-L260 HydrophobicContact CD2-CD2 4.19Å; L255-L260 HydrophobicContact CD2-CG 4.41Å; L255-N328 HydrophobicContact CB-CB 3.61Å; L255-N328 VanDerWaalsContact CD1-O 3.22Å; L255-N328 WeakPolarHBondContact CD1-O 3.5Å; L255-N328 PolarHBondContact O-ND2 3.39Å; L255-V330 HydrophobicContact CD1-CG2 4.03Å | ||
| 256 | T | 64.5 | Low | 61.8 | Low | 58 Ų | 58 | 96.8 Ų | 96.8 | 36% | 0.356 | 51% | 0.514 | S | S | . | . | trans | -84.6 | 169 | -177.6 | 67.2 | 0 | 0 | 0 | 0 | 110.1 | E254 A258 D259 L260 | E254-T256 VanDerWaalsContact C-N 3.34Å; E254-T256 WeakPolarHBondContact O-CG2 3.34Å; E254-T256 PolarHBondContact O-N 3.03Å; T256-A258 PolarHBondContact O-N 3.15Å; T256-A258 PolarHBondContact OG1-N 2.77Å; T256-D259 WeakPolarHBondContact CB-OD2 3.14Å; T256-D259 PolarHBondContact N-OD2 3.29Å; T256-D259 PolarHBondContact O-N 2.79Å; T256-D259 VanDerWaalsContact O-N 3.13Å; T256-D259 PolarHBondContact OG1-N 3.28Å; T256-D259 PolarHBondContact OG1-OD2 3.3Å; T256-L260 PolarHBondContact O-N 2.65Å | ||
| 257 | D | 66.4 | Low | 62.3 | Low | 82 Ų | 82 | 94.7 Ų | 94.7 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.5 | 171.1 | -86.7 | -36.6 | 0 | 0 | 0 | 112.7 | Q317 K318 | D257-Q317 PolarHBondContact OD1-NE2 2.93Å; D257-K318 PolarHBondContact O-NZ 3.24Å; D257-K318 VanDerWaalsContact OD1-CE 3.27Å; D257-K318 WeakPolarHBondContact OD1-CE 3.39Å; D257-K318 IonicContact OD1-NZ 3.29Å |
| 258 | A | 67.5 | Low | 63.1 | Low | 71 Ų | 71 | 90.8 Ų | 90.8 | 59% | 0.587 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -36.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T256 L260 D261 S262 | T256-A258 PolarHBondContact O-N 3.15Å; T256-A258 PolarHBondContact OG1-N 2.77Å; A258-L260 VanDerWaalsContact C-N 3.32Å; A258-L260 PolarHBondContact O-N 3.41Å; A258-D261 CarbonylContact O-C 3.54Å; A258-D261 PolarHBondContact O-N 2.95Å; A258-D261 VanDerWaalsContact O-N 3.12Å; A258-S262 PolarHBondContact O-N 2.95Å |
| 259 | D | 67 | Low | 64.3 | Low | 47 Ų | 47 | 89.4 Ų | 89.4 | 25% | 0.251 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -67.9 | -33.1 | 177.4 | -60.4 | -51.9 | 0 | 0 | 0 | 112 | L255 T256 D261 S262 F265 | L255-D259 HydrophobicContact CD2-CB 3.78Å; T256-D259 WeakPolarHBondContact CB-OD2 3.14Å; T256-D259 PolarHBondContact N-OD2 3.29Å; T256-D259 PolarHBondContact O-N 2.79Å; T256-D259 VanDerWaalsContact O-N 3.13Å; T256-D259 PolarHBondContact OG1-N 3.28Å; T256-D259 PolarHBondContact OG1-OD2 3.3Å; D259-D261 PolarHBondContact O-N 2.74Å; D259-S262 WeakPolarHBondContact O-CB 3.45Å; D259-S262 PolarHBondContact O-N 2.76Å; D259-F265 HydrophobicContact CB-CE2 4.27Å |
| 260 | L | 64.1 | Low | 65.7 | Low | 16 Ų | 16 | 87.4 Ų | 87.4 | 8% | 0.084 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -65 | -20.7 | 172.6 | -73 | 173.8 | 0 | 0 | 0 | 113.6 | L255 T256 A258 R269 Q317 K318 | L255-L260 HydrophobicContact CD2-CD2 4.19Å; L255-L260 HydrophobicContact CD2-CG 4.41Å; T256-L260 PolarHBondContact O-N 2.65Å; A258-L260 VanDerWaalsContact C-N 3.32Å; A258-L260 PolarHBondContact O-N 3.41Å; L260-R269 WeakPolarHBondContact O-CB 3.27Å; L260-R269 WeakPolarHBondContact O-CD 3.27Å; L260-Q317 HydrophobicContact CD1-CG 4.16Å; L260-K318 HydrophobicContact CB-CD 4.18Å; L260-K318 HydrophobicContact CD1-CD 4.1Å; L260-K318 HydrophobicContact CD1-CG 4.48Å |
| 261 | D | 67.9 | Low | 67.2 | Low | 96 Ų | 96 | 87.8 Ų | 87.8 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -107.9 | 10.8 | 177.9 | -62.9 | -34.1 | 0 | 0 | 0 | 111.6 | A258 D259 R269 K318 | A258-D261 CarbonylContact O-C 3.54Å; A258-D261 PolarHBondContact O-N 2.95Å; A258-D261 VanDerWaalsContact O-N 3.12Å; D259-D261 PolarHBondContact O-N 2.74Å; D261-R269 IonicContact OD1-NE 3.09Å; D261-K318 IonicContact OD1-NZ 3.61Å; D261-K318 IonicContact OD2-NZ 3.74Å; D261-K318 PolarHBondContact OD2-NZ 3.36Å |
| 262 | S | 67.2 | Low | 69 | Low | 31 Ų | 31 | 81.6 Ų | 81.6 | 22% | 0.217 | 44% | 0.437 | C | S | . | . | trans | -91.3 | 132.9 | -177.5 | -178.8 | 0 | 0 | 0 | 0 | 112.1 | A258 D259 L264 | A258-S262 PolarHBondContact O-N 2.95Å; D259-S262 WeakPolarHBondContact O-CB 3.45Å; D259-S262 PolarHBondContact O-N 2.76Å; S262-L264 PolarHBondContact O-N 2.72Å; S262-L264 WeakPolarHBondContact OG-CB 2.99Å; S262-L264 WeakPolarHBondContact OG-CD1 3.29Å; S262-L264 VanDerWaalsContact OG-CG 3.26Å; S262-L264 WeakPolarHBondContact OG-CG 3.42Å; S262-L264 PolarHBondContact OG-N 3.18Å | ||
| 263 | D | 64.9 | Low | 70.8 | Confident | 157 Ų | 157 | 75.3 Ų | 75.3 | 84% | 0.84 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 9.2 | 175.2 | -61.5 | -33.1 | 0 | 0 | 0 | 113.1 | F265 | D263-F265 VanDerWaalsContact C-N 3.32Š|
| 264 | L | 63.2 | Low | 72.7 | Confident | 155 Ų | 155 | 76.4 Ų | 76.4 | 81% | 0.812 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -13.1 | -177 | -67.6 | 172.6 | 0 | 0 | 0 | 113.7 | S262 | S262-L264 PolarHBondContact O-N 2.72Å; S262-L264 WeakPolarHBondContact OG-CB 2.99Å; S262-L264 WeakPolarHBondContact OG-CD1 3.29Å; S262-L264 VanDerWaalsContact OG-CG 3.26Å; S262-L264 WeakPolarHBondContact OG-CG 3.42Å; S262-L264 PolarHBondContact OG-N 3.18Å |
| 265 | F | 66.1 | Low | 74.3 | Confident | 105 Ų | 105 | 71 Ų | 71 | 46% | 0.461 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -92.7 | 145.1 | 179.6 | -65.9 | -78.1 | 0 | 0 | 0 | 111.4 | D259 D263 V267 | D259-F265 HydrophobicContact CB-CE2 4.27Å; D263-F265 VanDerWaalsContact C-N 3.32Å; F265-V267 PolarHBondContact O-N 3.21Å; F265-V267 VanDerWaalsContact O-N 3.09Å |
| 266 | P | 69.3 | Low | 75.8 | Confident | 132 Ų | 132 | 69.6 Ų | 69.6 | 86% | 0.857 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -64.5 | -15.4 | 179.1 | 26.3 | -34.7 | 0 | 0 | 0 | 113.5 | ||
| 267 | V | 73.5 | Confident | 77.1 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 28% | 0.279 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -128.3 | 124.1 | 175 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | F265 Q271 V272 L336 | F265-V267 PolarHBondContact O-N 3.21Å; F265-V267 VanDerWaalsContact O-N 3.09Å; V267-Q271 VanDerWaalsContact CA-OE1 3.31Å; V267-Q271 HydrophobicContact CG1-CB 3.62Å; V267-V272 HydrophobicContact CB-CG2 4.43Å; V267-V272 HydrophobicContact CG1-CG2 3.67Å; V267-L336 HydrophobicContact CG1-CD1 3.85Å; V267-L336 HydrophobicContact CG1-CD2 4.1Å; V267-L336 HydrophobicContact CG2-CD2 4.46Å |
| 268 | D | 81.1 | Confident | 78.2 | Confident | 64 Ų | 64 | 72.7 Ų | 72.7 | 34% | 0.342 | 40% | 0.396 | S | S | . | . | trans | -78.3 | 162.7 | 179 | 78 | 50.4 | 0 | 0 | 0 | 112.2 | S270 Q271 V272 | D268-S270 PolarHBondContact O-N 3.13Å; D268-S270 WeakPolarHBondContact OD1-CA 3.33Å; D268-S270 WeakPolarHBondContact OD1-CB 3.26Å; D268-S270 PolarHBondContact OD1-N 2.76Å; D268-Q271 WeakPolarHBondContact O-CB 3.39Å; D268-Q271 PolarHBondContact O-N 2.66Å; D268-Q271 PolarHBondContact OD1-N 3.19Å; D268-Q271 WeakPolarHBondContact OD2-CG 3.37Å; D268-V272 WeakPolarHBondContact O-CG2 3.27Å; D268-V272 PolarHBondContact O-N 3.17Å | ||
| 269 | R | 84.6 | Confident | 79.4 | Confident | 89 Ų | 89 | 70.3 Ų | 70.3 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56 | -37.3 | 179.4 | -172.2 | -178.1 | 64.4 | 63.4 | 10.9 | 113.2 | L260 D261 A273 K318 V320 | L260-R269 WeakPolarHBondContact O-CB 3.27Å; L260-R269 WeakPolarHBondContact O-CD 3.27Å; D261-R269 IonicContact OD1-NE 3.09Å; R269-A273 WeakPolarHBondContact O-CB 3.22Å; R269-A273 PolarHBondContact O-N 3.29Å; R269-K318 VanDerWaalsContact CD-O 3.28Å; R269-K318 WeakPolarHBondContact CD-O 3.44Å; R269-K318 PolarHBondContact NH1-O 2.93Å; R269-V320 HydrophobicContact CG-CG2 3.59Å |
| 270 | S | 85.6 | Confident | 80.6 | Confident | 59 Ų | 59 | 73 Ų | 73 | 41% | 0.413 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -71.1 | -41.8 | -178.3 | -50.3 | 0 | 0 | 0 | 0 | 110.8 | D268 A273 E274 | D268-S270 PolarHBondContact O-N 3.13Å; D268-S270 WeakPolarHBondContact OD1-CA 3.33Å; D268-S270 WeakPolarHBondContact OD1-CB 3.26Å; D268-S270 PolarHBondContact OD1-N 2.76Å; S270-A273 PolarHBondContact O-N 3.12Å; S270-E274 WeakPolarHBondContact O-CB 3.39Å; S270-E274 WeakPolarHBondContact O-CG 3.46Å; S270-E274 PolarHBondContact O-N 3.36Å |
| 271 | Q | 87.1 | Confident | 82 | Confident | 85 Ų | 85 | 74.1 Ų | 74.1 | 40% | 0.397 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 173.8 | -70.9 | 174.4 | -33.5 | 0 | 0 | 111.3 | V267 D268 A273 E274 A275 | V267-Q271 VanDerWaalsContact CA-OE1 3.31Å; V267-Q271 HydrophobicContact CG1-CB 3.62Å; D268-Q271 WeakPolarHBondContact O-CB 3.39Å; D268-Q271 PolarHBondContact O-N 2.66Å; D268-Q271 PolarHBondContact OD1-N 3.19Å; D268-Q271 WeakPolarHBondContact OD2-CG 3.37Å; Q271-A273 VanDerWaalsContact C-N 3.34Å; Q271-A273 PolarHBondContact O-N 3.47Å; Q271-E274 PolarHBondContact O-N 3.24Å; Q271-A275 VanDerWaalsContact O-CB 3.27Å; Q271-A275 WeakPolarHBondContact O-CB 3.46Å; Q271-A275 PolarHBondContact O-N 3.39Å |
| 272 | V | 89.5 | Confident | 83.2 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 7% | 0.067 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 174.9 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | V267 D268 T276 V320 V330 L336 | V267-V272 HydrophobicContact CB-CG2 4.43Å; V267-V272 HydrophobicContact CG1-CG2 3.67Å; D268-V272 WeakPolarHBondContact O-CG2 3.27Å; D268-V272 PolarHBondContact O-N 3.17Å; V272-T276 VanDerWaalsContact O-CB 3.22Å; V272-T276 WeakPolarHBondContact O-CB 3.46Å; V272-T276 PolarHBondContact O-N 2.99Å; V272-T276 PolarHBondContact O-OG1 3.29Å; V272-V320 HydrophobicContact CB-CG2 4.37Å; V272-V320 HydrophobicContact CG1-CG1 3.98Å; V272-V320 HydrophobicContact CG1-CG2 4.18Å; V272-V330 HydrophobicContact CG1-CG1 3.91Å; V272-V330 HydrophobicContact CG2-CG1 4.48Å; V272-L336 HydrophobicContact CG2-CD1 4.26Å |
| 273 | A | 89.8 | Confident | 84.4 | Confident | 28 Ų | 28 | 74.3 Ų | 74.3 | 23% | 0.231 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R269 S270 Q271 T276 A277 G319 | R269-A273 WeakPolarHBondContact O-CB 3.22Å; R269-A273 PolarHBondContact O-N 3.29Å; S270-A273 PolarHBondContact O-N 3.12Å; Q271-A273 VanDerWaalsContact C-N 3.34Å; Q271-A273 PolarHBondContact O-N 3.47Å; A273-T276 PolarHBondContact O-N 3.38Å; A273-A277 WeakPolarHBondContact O-CB 3.3Å; A273-A277 PolarHBondContact O-N 3.02Å; A273-G319 WeakPolarHBondContact CB-O 3.25Å |
| 274 | E | 90.9 | Very high | 85.8 | Confident | 125 Ų | 125 | 70.3 Ų | 70.3 | 58% | 0.584 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.7 | -44 | 177.4 | -76.1 | -178.5 | -172.6 | 0 | 0 | 112.2 | S270 Q271 A277 R278 | S270-E274 WeakPolarHBondContact O-CB 3.39Å; S270-E274 WeakPolarHBondContact O-CG 3.46Å; S270-E274 PolarHBondContact O-N 3.36Å; Q271-E274 PolarHBondContact O-N 3.24Å; E274-A277 PolarHBondContact O-N 2.97Å; E274-R278 WeakPolarHBondContact O-CG 3.43Å; E274-R278 PolarHBondContact O-N 2.87Å |
| 275 | A | 91.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q271 A277 R278 D279 P333 L336 | Q271-A275 VanDerWaalsContact O-CB 3.27Å; Q271-A275 WeakPolarHBondContact O-CB 3.46Å; Q271-A275 PolarHBondContact O-N 3.39Å; A275-A277 VanDerWaalsContact C-N 3.29Å; A275-A277 PolarHBondContact O-N 3.44Å; A275-R278 PolarHBondContact O-N 2.86Å; A275-R278 VanDerWaalsContact O-N 3.14Å; A275-D279 WeakPolarHBondContact O-CB 3.35Å; A275-D279 PolarHBondContact O-N 2.82Å; A275-P333 HydrophobicContact CB-CB 3.81Å; A275-P333 HydrophobicContact CB-CG 3.76Å; A275-L336 HydrophobicContact CB-CD1 3.45Å; A275-L336 VanDerWaalsContact CB-CD1 3.45Å; A275-L336 HydrophobicContact CB-CG 3.86Å |
| 276 | T | 91.5 | Very high | 88.5 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.3 | -37.8 | 173.6 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | V272 A273 R278 D279 L282 L321 P333 | V272-T276 VanDerWaalsContact O-CB 3.22Å; V272-T276 WeakPolarHBondContact O-CB 3.46Å; V272-T276 PolarHBondContact O-N 2.99Å; V272-T276 PolarHBondContact O-OG1 3.29Å; A273-T276 PolarHBondContact O-N 3.38Å; T276-R278 VanDerWaalsContact C-N 3.29Å; T276-R278 PolarHBondContact O-N 3.29Å; T276-D279 PolarHBondContact O-N 2.86Å; T276-L282 HydrophobicContact CG2-CB 3.97Å; T276-L321 HydrophobicContact CG2-CD1 4.17Å; T276-P333 VanDerWaalsContact OG1-CG 3.31Å; T276-P333 WeakPolarHBondContact OG1-CG 3.38Å |
| 277 | A | 89.9 | Confident | 89.6 | Confident | 56 Ų | 56 | 61.7 Ų | 61.7 | 46% | 0.463 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.3 | -27 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A273 E274 A275 | A273-A277 WeakPolarHBondContact O-CB 3.3Å; A273-A277 PolarHBondContact O-N 3.02Å; E274-A277 PolarHBondContact O-N 2.97Å; A275-A277 VanDerWaalsContact C-N 3.29Å; A275-A277 PolarHBondContact O-N 3.44Å |
| 278 | R | 91 | Very high | 90.6 | Very high | 149 Ų | 149 | 60.6 Ų | 60.6 | 56% | 0.562 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -86.5 | -26.1 | 176.3 | -69.3 | -173.9 | -74.6 | 147 | -0.7 | 113 | E274 A275 T276 P280 E335 | E274-R278 WeakPolarHBondContact O-CG 3.43Å; E274-R278 PolarHBondContact O-N 2.87Å; A275-R278 PolarHBondContact O-N 2.86Å; A275-R278 VanDerWaalsContact O-N 3.14Å; T276-R278 VanDerWaalsContact C-N 3.29Å; T276-R278 PolarHBondContact O-N 3.29Å; R278-P280 WeakPolarHBondContact O-CD 3.49Å; R278-E335 IonicContact CZ-OE1 3.65Å; R278-E335 IonicContact CZ-OE2 3.75Å; R278-E335 IonicContact NE-OE2 3.19Å; R278-E335 VanDerWaalsContact NH1-CD 3.27Å; R278-E335 IonicContact NH1-OE1 2.81Å; R278-E335 PolarHBondContact NH1-OE1 3.37Å; R278-E335 IonicContact NH1-OE2 3.21Å; R278-E335 PolarHBondContact NH1-OE2 3.21Å; R278-E335 IonicContact NH2-OE1 2.91Å; R278-E335 PolarHBondContact NH2-OE1 2.9Å; R278-E335 IonicContact NH2-OE2 2.72Å; R278-E335 PolarHBondContact NH2-OE2 3.02Å |
| 279 | D | 92.5 | Very high | 91 | Very high | 21 Ų | 21 | 59.2 Ų | 59.2 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | trans | -72.8 | 116.2 | 178.5 | -173.4 | -45.1 | 0 | 0 | 0 | 111.3 | A275 T276 V281 L282 K283 P333 L334 | A275-D279 WeakPolarHBondContact O-CB 3.35Å; A275-D279 PolarHBondContact O-N 2.82Å; T276-D279 PolarHBondContact O-N 2.86Å; D279-V281 VanDerWaalsContact C-N 3.28Å; D279-V281 PolarHBondContact O-N 2.94Å; D279-V281 WeakPolarHBondContact OD1-CA 3.42Å; D279-V281 WeakPolarHBondContact OD1-CB 3.42Å; D279-V281 PolarHBondContact OD1-N 2.86Å; D279-L282 HydrophobicContact CB-CB 4.03Å; D279-L282 HydrophobicContact CB-CD1 4.47Å; D279-L282 HydrophobicContact CB-CG 4.31Å; D279-L282 PolarHBondContact OD1-N 3.09Å; D279-K283 WeakPolarHBondContact O-CB 3.35Å; D279-K283 PolarHBondContact O-N 3.3Å; D279-P333 HydrophobicContact CB-CB 4.31Å; D279-L334 PolarHBondContact OD2-N 3.33Å | ||
| 280 | P | 91.5 | Very high | 91.2 | Very high | 105 Ų | 105 | 59.2 Ų | 59.2 | 68% | 0.682 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.2 | -30.8 | -176.5 | 25.9 | -33.4 | 0 | 0 | 0 | 113.2 | R278 | R278-P280 WeakPolarHBondContact O-CD 3.49Å |
| 281 | V | 93.8 | Very high | 91.3 | Very high | 38 Ų | 38 | 60.4 Ų | 60.4 | 23% | 0.23 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -77 | -52.4 | -180 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | D279 K283 Q284 V285 E303 I304 Y307 | D279-V281 VanDerWaalsContact C-N 3.28Å; D279-V281 PolarHBondContact O-N 2.94Å; D279-V281 WeakPolarHBondContact OD1-CA 3.42Å; D279-V281 WeakPolarHBondContact OD1-CB 3.42Å; D279-V281 PolarHBondContact OD1-N 2.86Å; V281-K283 VanDerWaalsContact C-N 3.31Å; V281-K283 PolarHBondContact O-N 2.88Å; V281-Q284 WeakPolarHBondContact O-CB 3.41Å; V281-Q284 PolarHBondContact O-N 3.06Å; V281-V285 WeakPolarHBondContact O-CG2 3.31Å; V281-V285 PolarHBondContact O-N 2.94Å; V281-E303 HydrophobicContact CG1-CB 4.44Å; V281-E303 HydrophobicContact CG2-CB 4.07Å; V281-I304 HydrophobicContact CB-CD1 4.39Å; V281-I304 HydrophobicContact CG1-CD1 3.57Å; V281-I304 WeakPolarHBondContact O-CD1 3.48Å; V281-Y307 HydrophobicContact CG1-CD2 4.42Å; V281-Y307 HydrophobicContact CG1-CE2 3.81Å |
| 282 | L | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69 | -30 | -177.5 | -63.9 | -173.6 | 0 | 0 | 0 | 112.9 | T276 D279 Q284 V285 L286 Y307 L321 I331 P333 | T276-L282 HydrophobicContact CG2-CB 3.97Å; D279-L282 HydrophobicContact CB-CB 4.03Å; D279-L282 HydrophobicContact CB-CD1 4.47Å; D279-L282 HydrophobicContact CB-CG 4.31Å; D279-L282 PolarHBondContact OD1-N 3.09Å; L282-Q284 VanDerWaalsContact C-N 3.25Å; L282-Q284 PolarHBondContact O-N 3.5Å; L282-V285 HydrophobicContact CD2-CG2 4.49Å; L282-V285 PolarHBondContact O-N 3.28Å; L282-L286 VanDerWaalsContact O-CB 3.25Å; L282-L286 WeakPolarHBondContact O-CB 3.31Å; L282-L286 PolarHBondContact O-N 3.35Å; L282-Y307 HydrophobicContact CD2-CE1 3.82Å; L282-L321 HydrophobicContact CB-CD1 4.16Å; L282-L321 HydrophobicContact CD2-CD1 4.25Å; L282-I331 HydrophobicContact CD1-CG2 4.25Å; L282-I331 HydrophobicContact CD2-CG2 3.67Å; L282-P333 VanDerWaalsContact CD1-CA 3.49Å; L282-P333 HydrophobicContact CD1-CB 3.94Å; L282-P333 HydrophobicContact CD1-CG 3.79Å |
| 283 | K | 92.7 | Very high | 91.4 | Very high | 131 Ų | 131 | 61.1 Ų | 61.1 | 57% | 0.57 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60 | -38.2 | 170.2 | -172.5 | 176 | -170.3 | 166.1 | 0 | 112 | D279 V281 R287 | D279-K283 WeakPolarHBondContact O-CB 3.35Å; D279-K283 PolarHBondContact O-N 3.3Å; V281-K283 VanDerWaalsContact C-N 3.31Å; V281-K283 PolarHBondContact O-N 2.88Å; K283-R287 PolarHBondContact O-N 2.96Å; K283-R287 VanDerWaalsContact O-N 3.08Å |
| 284 | Q | 92.9 | Very high | 91.2 | Very high | 73 Ų | 73 | 61.1 Ų | 61.1 | 34% | 0.341 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.9 | -40.7 | 175.7 | -169.6 | 175.6 | 21.4 | 0 | 0 | 111.8 | V281 L282 R287 F288 I304 | V281-Q284 WeakPolarHBondContact O-CB 3.41Å; V281-Q284 PolarHBondContact O-N 3.06Å; L282-Q284 VanDerWaalsContact C-N 3.25Å; L282-Q284 PolarHBondContact O-N 3.5Å; Q284-R287 WeakPolarHBondContact O-CB 3.46Å; Q284-R287 PolarHBondContact O-N 2.77Å; Q284-F288 HydrophobicContact CG-CD2 4.1Å; Q284-F288 HydrophobicContact CG-CE2 3.52Å; Q284-F288 HydrophobicContact CG-CZ 4Å; Q284-F288 VanDerWaalsContact O-CD2 3.25Å; Q284-F288 WeakPolarHBondContact O-CD2 3.5Å; Q284-F288 WeakPolarHBondContact O-CG 3.5Å; Q284-F288 PolarHBondContact O-N 3.19Å; Q284-I304 HydrophobicContact CB-CD1 3.9Å; Q284-I304 HydrophobicContact CG-CD1 4.14Å; Q284-I304 HydrophobicContact CG-CG1 4.49Å |
| 285 | V | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 172.1 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | V281 L282 R287 F288 V289 W293 I304 Y307 I314 L321 | V281-V285 WeakPolarHBondContact O-CG2 3.31Å; V281-V285 PolarHBondContact O-N 2.94Å; L282-V285 HydrophobicContact CD2-CG2 4.49Å; L282-V285 PolarHBondContact O-N 3.28Å; V285-R287 VanDerWaalsContact C-N 3.31Å; V285-R287 PolarHBondContact O-N 3.03Å; V285-F288 CarbonylContact O-C 3.6Å; V285-F288 WeakPolarHBondContact O-CA 3.37Å; V285-F288 PolarHBondContact O-N 3.32Å; V285-V289 HydrophobicContact CG1-CG2 4.13Å; V285-V289 VanDerWaalsContact O-CG2 3.31Å; V285-V289 WeakPolarHBondContact O-CG2 3.17Å; V285-V289 PolarHBondContact O-N 3Å; V285-W293 HydrophobicContact CB-CH2 4.41Å; V285-W293 HydrophobicContact CG1-CH2 3.87Å; V285-W293 HydrophobicContact CG1-CZ2 4.09Å; V285-W293 HydrophobicContact CG2-CH2 4.33Å; V285-I304 HydrophobicContact CG2-CD1 3.8Å; V285-I304 HydrophobicContact CG2-CG2 4.48Å; V285-Y307 HydrophobicContact CG1-CD1 4.31Å; V285-Y307 HydrophobicContact CG1-CG 4.44Å; V285-Y307 HydrophobicContact CG2-CD1 4.07Å; V285-Y307 HydrophobicContact CG2-CD2 3.73Å; V285-Y307 HydrophobicContact CG2-CE2 4.28Å; V285-Y307 HydrophobicContact CG2-CG 3.61Å; V285-I314 HydrophobicContact CG1-CG2 4.47Å; V285-L321 HydrophobicContact CB-CD1 4.29Å; V285-L321 HydrophobicContact CG1-CD1 3.94Å; V285-L321 HydrophobicContact CG1-CD2 4.35Å |
| 286 | L | 93.3 | Very high | 90.5 | Very high | 41 Ų | 41 | 66.3 Ų | 66.3 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 177.5 | 177.8 | 60.3 | 0 | 0 | 0 | 111.9 | L282 F288 V289 T290 F316 L321 | L282-L286 VanDerWaalsContact O-CB 3.25Å; L282-L286 WeakPolarHBondContact O-CB 3.31Å; L282-L286 PolarHBondContact O-N 3.35Å; L286-F288 VanDerWaalsContact C-N 3.32Å; L286-F288 PolarHBondContact O-N 3.4Å; L286-V289 PolarHBondContact O-N 3.36Å; L286-T290 HydrophobicContact CD1-CG2 4.02Å; L286-T290 WeakPolarHBondContact O-CB 3.46Å; L286-T290 WeakPolarHBondContact O-CG2 3.28Å; L286-T290 PolarHBondContact O-N 2.81Å; L286-T290 PolarHBondContact O-OG1 3Å; L286-F316 HydrophobicContact CD1-CB 4.29Å; L286-F316 HydrophobicContact CD1-CD1 4.07Å; L286-F316 HydrophobicContact CD1-CD2 3.2Å; L286-F316 HydrophobicContact CD1-CE1 4.16Å; L286-F316 HydrophobicContact CD1-CE2 3.3Å; L286-F316 HydrophobicContact CD1-CG 3.6Å; L286-F316 HydrophobicContact CD1-CZ 3.78Å; L286-F316 HydrophobicContact CD2-CE2 4.36Å; L286-F316 HydrophobicContact CG-CE2 4.46Å; L286-L321 HydrophobicContact CB-CD1 4.29Å; L286-L321 HydrophobicContact CB-CD2 4.45Å; L286-L321 HydrophobicContact CD1-CD2 4.07Å; L286-L321 HydrophobicContact CD1-CG 4.44Å |
| 287 | R | 93 | Very high | 90.2 | Very high | 171 Ų | 171 | 68.5 Ų | 68.5 | 65% | 0.645 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.3 | -43.1 | 173.2 | -179.8 | -177.3 | 165.6 | -166 | -3.8 | 111.4 | K283 Q284 V285 T290 S291 | K283-R287 PolarHBondContact O-N 2.96Å; K283-R287 VanDerWaalsContact O-N 3.08Å; Q284-R287 WeakPolarHBondContact O-CB 3.46Å; Q284-R287 PolarHBondContact O-N 2.77Å; V285-R287 VanDerWaalsContact C-N 3.31Å; V285-R287 PolarHBondContact O-N 3.03Å; R287-T290 PolarHBondContact O-OG1 2.84Å; R287-S291 WeakPolarHBondContact O-CB 3.21Å; R287-S291 PolarHBondContact O-N 3.12Å; R287-S291 PolarHBondContact O-OG 2.93Å |
| 288 | F | 92.9 | Very high | 89.9 | Confident | 23 Ų | 23 | 74.8 Ų | 74.8 | 10% | 0.101 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.4 | -35.5 | 179.8 | -67.4 | -44 | 0 | 0 | 0 | 113.5 | Q284 V285 L286 S291 A292 W293 P294 I304 | Q284-F288 HydrophobicContact CG-CD2 4.1Å; Q284-F288 HydrophobicContact CG-CE2 3.52Å; Q284-F288 HydrophobicContact CG-CZ 4Å; Q284-F288 VanDerWaalsContact O-CD2 3.25Å; Q284-F288 WeakPolarHBondContact O-CD2 3.5Å; Q284-F288 WeakPolarHBondContact O-CG 3.5Å; Q284-F288 PolarHBondContact O-N 3.19Å; V285-F288 CarbonylContact O-C 3.6Å; V285-F288 WeakPolarHBondContact O-CA 3.37Å; V285-F288 PolarHBondContact O-N 3.32Å; L286-F288 VanDerWaalsContact C-N 3.32Å; L286-F288 PolarHBondContact O-N 3.4Å; F288-S291 CarbonylContact O-C 3.52Å; F288-A292 WeakPolarHBondContact CD1-O 3.44Å; F288-A292 CarbonylContact O-C 3.43Å; F288-A292 PolarHBondContact O-N 3.34Å; F288-W293 HydrophobicContact CB-CD2 3.61Å; F288-W293 HydrophobicContact CB-CE3 3.69Å; F288-W293 HydrophobicContact CB-CG 4.1Å; F288-W293 HydrophobicContact CB-CH2 4.28Å; F288-W293 HydrophobicContact CB-CZ2 4.21Å; F288-W293 HydrophobicContact CB-CZ3 4.04Å; F288-W293 AromaticContact CD2-CE3 3.94Å; F288-W293 HydrophobicContact CD2-CE3 3.94Å; F288-W293 AromaticContact CD2-CZ3 3.88Å; F288-W293 HydrophobicContact CD2-CZ3 3.88Å; F288-W293 HydrophobicContact CG-CD2 4.4Å; F288-W293 HydrophobicContact CG-CE3 4.04Å; F288-W293 HydrophobicContact CG-CZ3 4.35Å; F288-P294 HydrophobicContact CD1-CG 4.36Å; F288-P294 HydrophobicContact CE1-CG 3.79Å; F288-P294 HydrophobicContact CZ-CG 3.89Å; F288-I304 HydrophobicContact CD2-CG2 4.22Å; F288-I304 HydrophobicContact CE2-CG2 4.1Å |
| 289 | V | 91.1 | Very high | 89.5 | Confident | 34 Ų | 34 | 71.2 Ų | 71.2 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 174.7 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | V285 L286 W293 I314 F316 L321 | V285-V289 HydrophobicContact CG1-CG2 4.13Å; V285-V289 VanDerWaalsContact O-CG2 3.31Å; V285-V289 WeakPolarHBondContact O-CG2 3.17Å; V285-V289 PolarHBondContact O-N 3Å; L286-V289 PolarHBondContact O-N 3.36Å; V289-W293 HydrophobicContact CG2-CZ2 3.67Å; V289-I314 HydrophobicContact CG2-CB 4.43Å; V289-I314 HydrophobicContact CG2-CG2 3.65Å; V289-F316 HydrophobicContact CG1-CB 3.74Å; V289-L321 HydrophobicContact CB-CD2 4.36Å; V289-L321 HydrophobicContact CG1-CD2 4.48Å; V289-L321 HydrophobicContact CG2-CD2 4.05Å |
| 290 | T | 87.9 | Confident | 89.3 | Confident | 90 Ų | 90 | 70.7 Ų | 70.7 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -82.9 | -17.2 | -179.8 | 52.8 | 0 | 0 | 0 | 0 | 114 | L286 R287 F316 | L286-T290 HydrophobicContact CD1-CG2 4.02Å; L286-T290 WeakPolarHBondContact O-CB 3.46Å; L286-T290 WeakPolarHBondContact O-CG2 3.28Å; L286-T290 PolarHBondContact O-N 2.81Å; L286-T290 PolarHBondContact O-OG1 3Å; R287-T290 PolarHBondContact O-OG1 2.84Å; T290-F316 HydrophobicContact CG2-CD1 4.04Å; T290-F316 HydrophobicContact CG2-CE1 4.46Å |
| 291 | S | 88.2 | Confident | 89.3 | Confident | 84 Ų | 84 | 67.7 Ų | 67.7 | 59% | 0.587 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -115 | -105.7 | 176 | 64.5 | 0 | 0 | 0 | 0 | 111.2 | R287 F288 | R287-S291 WeakPolarHBondContact O-CB 3.21Å; R287-S291 PolarHBondContact O-N 3.12Å; R287-S291 PolarHBondContact O-OG 2.93Å; F288-S291 CarbonylContact O-C 3.52Å |
| 292 | A | 86.1 | Confident | 89.1 | Confident | 70 Ų | 70 | 71.3 Ų | 71.3 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | trans | -142.8 | 138.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | F288 | F288-A292 WeakPolarHBondContact CD1-O 3.44Å; F288-A292 CarbonylContact O-C 3.43Å; F288-A292 PolarHBondContact O-N 3.34Å | ||
| 293 | W | 91.3 | Very high | 89 | Confident | 41 Ų | 41 | 77 Ų | 77 | 16% | 0.155 | 41% | 0.413 | C | S | . | . | trans | -69.4 | 142.2 | 168.7 | -70.7 | 90.6 | 0 | 0 | 0 | 110.8 | V285 F288 V289 L295 I304 W308 R311 I314 | V285-W293 HydrophobicContact CB-CH2 4.41Å; V285-W293 HydrophobicContact CG1-CH2 3.87Å; V285-W293 HydrophobicContact CG1-CZ2 4.09Å; V285-W293 HydrophobicContact CG2-CH2 4.33Å; F288-W293 HydrophobicContact CB-CD2 3.61Å; F288-W293 HydrophobicContact CB-CE3 3.69Å; F288-W293 HydrophobicContact CB-CG 4.1Å; F288-W293 HydrophobicContact CB-CH2 4.28Å; F288-W293 HydrophobicContact CB-CZ2 4.21Å; F288-W293 HydrophobicContact CB-CZ3 4.04Å; F288-W293 AromaticContact CD2-CE3 3.94Å; F288-W293 HydrophobicContact CD2-CE3 3.94Å; F288-W293 AromaticContact CD2-CZ3 3.88Å; F288-W293 HydrophobicContact CD2-CZ3 3.88Å; F288-W293 HydrophobicContact CG-CD2 4.4Å; F288-W293 HydrophobicContact CG-CE3 4.04Å; F288-W293 HydrophobicContact CG-CZ3 4.35Å; V289-W293 HydrophobicContact CG2-CZ2 3.67Å; W293-L295 PolarHBondContact O-N 3.38Å; W293-I304 HydrophobicContact CZ3-CG2 3.92Å; W293-W308 HydrophobicContact CE3-CB 4.36Å; W293-W308 AromaticContact CE3-CD1 3.89Å; W293-W308 HydrophobicContact CZ3-CB 4.25Å; W293-R311 HydrophobicContact CD2-CB 3.64Å; W293-R311 HydrophobicContact CE3-CB 4.26Å; W293-R311 HydrophobicContact CG-CB 3.8Å; W293-R311 HydrophobicContact CG-CG 4.42Å; W293-R311 HydrophobicContact CZ2-CB 4.08Å; W293-I314 HydrophobicContact CZ2-CD1 4.39Å | ||
| 294 | P | 86.9 | Confident | 89 | Confident | 28 Ų | 28 | 70.8 Ų | 70.8 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | trans | -57.4 | 140.2 | 172.4 | -25.7 | 36.2 | 0 | 0 | 0 | 111.4 | F288 S296 A299 V300 W308 | F288-P294 HydrophobicContact CD1-CG 4.36Å; F288-P294 HydrophobicContact CE1-CG 3.79Å; F288-P294 HydrophobicContact CZ-CG 3.89Å; P294-S296 PolarHBondContact O-N 2.68Å; P294-A299 HydrophobicContact CB-CB 4Å; P294-V300 HydrophobicContact CB-CG2 3.89Å; P294-V300 HydrophobicContact CG-CG2 3.84Å; P294-W308 PolarHBondContact O-NE1 3.37Å | ||
| 295 | L | 81.8 | Confident | 88.9 | Confident | 178 Ų | 178 | 71.3 Ų | 71.3 | 93% | 0.932 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -69.7 | -21.6 | -177.7 | -64.4 | 175.5 | 0 | 0 | 0 | 113.3 | W293 | W293-L295 PolarHBondContact O-N 3.38Š|
| 296 | S | 84.2 | Confident | 88.8 | Confident | 56 Ų | 56 | 74.8 Ų | 74.8 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -121 | 130.9 | -178.2 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | P294 K298 A299 | P294-S296 PolarHBondContact O-N 2.68Å; S296-K298 PolarHBondContact O-N 2.77Å; S296-K298 VanDerWaalsContact O-N 3.11Å; S296-K298 PolarHBondContact OG-N 3.22Å; S296-A299 WeakPolarHBondContact O-CB 3.41Å; S296-A299 PolarHBondContact O-N 3Å |
| 297 | V | 85.7 | Confident | 88.7 | Confident | 49 Ų | 49 | 75.4 Ų | 75.4 | 30% | 0.297 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -57.4 | -23.5 | 172.5 | 70.7 | 0 | 0 | 0 | 0 | 112.6 | A299 V300 R305 W308 | V297-A299 PolarHBondContact O-N 3.47Å; V297-V300 WeakPolarHBondContact O-CB 3.46Å; V297-V300 PolarHBondContact O-N 3.07Å; V297-R305 HydrophobicContact CG2-CG 4Å; V297-W308 HydrophobicContact CB-CD2 4.2Å; V297-W308 HydrophobicContact CB-CE3 3.9Å; V297-W308 HydrophobicContact CB-CH2 4.03Å; V297-W308 HydrophobicContact CB-CZ2 4.31Å; V297-W308 HydrophobicContact CB-CZ3 3.82Å; V297-W308 HydrophobicContact CG2-CD2 4.3Å; V297-W308 HydrophobicContact CG2-CE3 3.88Å; V297-W308 HydrophobicContact CG2-CZ3 4.19Å |
| 298 | K | 83.1 | Confident | 88.6 | Confident | 189 Ų | 189 | 69 Ų | 69 | 82% | 0.822 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -70.5 | -20.6 | 176.6 | -61.4 | -174.6 | 178.6 | -176.7 | 0 | 113.2 | S296 | S296-K298 PolarHBondContact O-N 2.77Å; S296-K298 VanDerWaalsContact O-N 3.11Å; S296-K298 PolarHBondContact OG-N 3.22Å |
| 299 | A | 84.4 | Confident | 88.3 | Confident | 74 Ų | 74 | 73.2 Ų | 73.2 | 61% | 0.612 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -88.9 | 9.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P294 S296 V297 | P294-A299 HydrophobicContact CB-CB 4Å; S296-A299 WeakPolarHBondContact O-CB 3.41Å; S296-A299 PolarHBondContact O-N 3Å; V297-A299 PolarHBondContact O-N 3.47Å |
| 300 | V | 87.4 | Confident | 88.1 | Confident | 10 Ų | 10 | 76.4 Ų | 76.4 | 6% | 0.061 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -120.8 | 133.1 | -173.4 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | P294 V297 I304 W308 | P294-V300 HydrophobicContact CB-CG2 3.89Å; P294-V300 HydrophobicContact CG-CG2 3.84Å; V297-V300 WeakPolarHBondContact O-CB 3.46Å; V297-V300 PolarHBondContact O-N 3.07Å; V300-I304 HydrophobicContact CG1-CB 3.4Å; V300-I304 HydrophobicContact CG1-CG2 3.37Å; V300-W308 HydrophobicContact CG1-CB 4.32Å; V300-W308 HydrophobicContact CG2-CG 4.16Å |
| 301 | A | 91.1 | Very high | 88.2 | Confident | 42 Ų | 42 | 75.8 Ų | 75.8 | 35% | 0.347 | 41% | 0.406 | S | S | . | . | trans | -62 | 154.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | E303 I304 R305 | A301-E303 VanDerWaalsContact CB-OE2 3.25Å; A301-E303 WeakPolarHBondContact CB-OE2 3.25Å; A301-E303 PolarHBondContact O-N 3.24Å; A301-I304 HydrophobicContact CB-CG1 4.47Å; A301-I304 PolarHBondContact O-N 2.72Å; A301-R305 PolarHBondContact O-N 2.66Å | ||
| 302 | E | 90 | Very high | 88.1 | Confident | 114 Ų | 114 | 78.6 Ų | 78.6 | 53% | 0.533 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -56.2 | -38.9 | -175.3 | -70.2 | -66.1 | 156.6 | 0 | 0 | 112 | I304 R305 | E302-I304 PolarHBondContact O-N 2.74Å; E302-R305 WeakPolarHBondContact O-CB 3.5Å; E302-R305 PolarHBondContact O-N 3.24Å; E302-R305 IonicContact OE1-CZ 3.56Å; E302-R305 IonicContact OE1-NE 3.02Å; E302-R305 IonicContact OE1-NH1 3.71Å; E302-R305 PolarHBondContact OE1-NH1 2.68Å; E302-R305 IonicContact OE1-NH2 3.68Å; E302-R305 PolarHBondContact OE1-NH2 2.98Å; E302-R305 WeakPolarHBondContact OE2-CD 3.46Å; E302-R305 IonicContact OE2-CZ 3.72Å; E302-R305 IonicContact OE2-NE 3.73Å; E302-R305 PolarHBondContact OE2-NE 2.79Å; E302-R305 IonicContact OE2-NH1 2.66Å; E302-R305 PolarHBondContact OE2-NH1 3.28Å; E302-R305 IonicContact OE2-NH2 3.98Å |
| 303 | E | 92 | Very high | 88.2 | Confident | 119 Ų | 119 | 77.8 Ų | 77.8 | 56% | 0.556 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -66.4 | -25 | -177.9 | -52.7 | 76.1 | -165 | 0 | 0 | 112.3 | V281 A301 | V281-E303 HydrophobicContact CG1-CB 4.44Å; V281-E303 HydrophobicContact CG2-CB 4.07Å; A301-E303 VanDerWaalsContact CB-OE2 3.25Å; A301-E303 WeakPolarHBondContact CB-OE2 3.25Å; A301-E303 PolarHBondContact O-N 3.24Å |
| 304 | I | 92.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -93.3 | -17 | -178.4 | -56.3 | -72.6 | 0 | 0 | 0 | 111.6 | V281 Q284 V285 F288 W293 V300 A301 E302 P306 Y307 W308 | V281-I304 HydrophobicContact CB-CD1 4.39Å; V281-I304 HydrophobicContact CG1-CD1 3.57Å; V281-I304 WeakPolarHBondContact O-CD1 3.48Å; Q284-I304 HydrophobicContact CB-CD1 3.9Å; Q284-I304 HydrophobicContact CG-CD1 4.14Å; Q284-I304 HydrophobicContact CG-CG1 4.49Å; V285-I304 HydrophobicContact CG2-CD1 3.8Å; V285-I304 HydrophobicContact CG2-CG2 4.48Å; F288-I304 HydrophobicContact CD2-CG2 4.22Å; F288-I304 HydrophobicContact CE2-CG2 4.1Å; W293-I304 HydrophobicContact CZ3-CG2 3.92Å; V300-I304 HydrophobicContact CG1-CB 3.4Å; V300-I304 HydrophobicContact CG1-CG2 3.37Å; A301-I304 HydrophobicContact CB-CG1 4.47Å; A301-I304 PolarHBondContact O-N 2.72Å; E302-I304 PolarHBondContact O-N 2.74Å; I304-P306 VanDerWaalsContact C-CD 3.4Å; I304-Y307 PolarHBondContact O-N 3.11Å; I304-W308 PolarHBondContact O-N 3.39Å |
| 305 | R | 90 | Very high | 88.2 | Confident | 85 Ų | 85 | 75.9 Ų | 75.9 | 32% | 0.321 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -53.1 | -42 | -178.8 | -71.2 | -174.5 | 175.3 | 170.2 | 4.6 | 114.5 | V297 A301 E302 Y307 W308 N309 | V297-R305 HydrophobicContact CG2-CG 4Å; A301-R305 PolarHBondContact O-N 2.66Å; E302-R305 WeakPolarHBondContact O-CB 3.5Å; E302-R305 PolarHBondContact O-N 3.24Å; E302-R305 IonicContact OE1-CZ 3.56Å; E302-R305 IonicContact OE1-NE 3.02Å; E302-R305 IonicContact OE1-NH1 3.71Å; E302-R305 PolarHBondContact OE1-NH1 2.68Å; E302-R305 IonicContact OE1-NH2 3.68Å; E302-R305 PolarHBondContact OE1-NH2 2.98Å; E302-R305 WeakPolarHBondContact OE2-CD 3.46Å; E302-R305 IonicContact OE2-CZ 3.72Å; E302-R305 IonicContact OE2-NE 3.73Å; E302-R305 PolarHBondContact OE2-NE 2.79Å; E302-R305 IonicContact OE2-NH1 2.66Å; E302-R305 PolarHBondContact OE2-NH1 3.28Å; E302-R305 IonicContact OE2-NH2 3.98Å; R305-Y307 PolarHBondContact O-N 3.27Å; R305-W308 PolarHBondContact O-N 3.39Å; R305-N309 VanDerWaalsContact O-CG 3.31Å; R305-N309 PolarHBondContact O-N 3.05Å; R305-N309 PolarHBondContact O-ND2 3.02Å |
| 306 | P | 90.6 | Very high | 88.6 | Confident | 73 Ų | 73 | 71.6 Ų | 71.6 | 47% | 0.474 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.7 | -38.1 | 177.6 | -25 | 35.5 | 0 | 0 | 0 | 112.6 | I304 | I304-P306 VanDerWaalsContact C-CD 3.4Å |
| 307 | Y | 92.6 | Very high | 88.6 | Confident | 54 Ų | 54 | 71.4 Ų | 71.4 | 21% | 0.212 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -76.7 | -38.5 | 177.6 | -54.5 | -85.5 | 0 | 0 | 0 | 111.7 | V281 L282 V285 I304 R305 N309 K310 R311 I314 I331 | V281-Y307 HydrophobicContact CG1-CD2 4.42Å; V281-Y307 HydrophobicContact CG1-CE2 3.81Å; L282-Y307 HydrophobicContact CD2-CE1 3.82Å; V285-Y307 HydrophobicContact CG1-CD1 4.31Å; V285-Y307 HydrophobicContact CG1-CG 4.44Å; V285-Y307 HydrophobicContact CG2-CD1 4.07Å; V285-Y307 HydrophobicContact CG2-CD2 3.73Å; V285-Y307 HydrophobicContact CG2-CE2 4.28Å; V285-Y307 HydrophobicContact CG2-CG 3.61Å; I304-Y307 PolarHBondContact O-N 3.11Å; R305-Y307 PolarHBondContact O-N 3.27Å; Y307-N309 VanDerWaalsContact C-N 3.31Å; Y307-N309 PolarHBondContact O-N 3.22Å; Y307-K310 CarbonylContact O-C 3.28Å; Y307-K310 VanDerWaalsContact O-C 3.28Å; Y307-K310 WeakPolarHBondContact O-CA 3.4Å; Y307-K310 PolarHBondContact O-N 3.29Å; Y307-R311 WeakPolarHBondContact O-CA 3.43Å; Y307-R311 PolarHBondContact O-N 3.26Å; Y307-I314 HydrophobicContact CD1-CD1 4.03Å; Y307-I314 HydrophobicContact CG-CD1 4.45Å; Y307-I314 WeakPolarHBondContact O-CD1 3.27Å; Y307-I331 HydrophobicContact CD1-CD1 4.4Å; Y307-I331 HydrophobicContact CE1-CD1 4.43Å; Y307-I331 HydrophobicContact CE1-CG2 3.8Å |
| 308 | W | 91.2 | Very high | 88.4 | Confident | 35 Ų | 35 | 72.6 Ų | 72.6 | 13% | 0.133 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 176.2 | -173.6 | 90.5 | 0 | 0 | 0 | 112.5 | W293 P294 V297 V300 I304 R305 K310 R311 | W293-W308 HydrophobicContact CE3-CB 4.36Å; W293-W308 AromaticContact CE3-CD1 3.89Å; W293-W308 HydrophobicContact CZ3-CB 4.25Å; P294-W308 PolarHBondContact O-NE1 3.37Å; V297-W308 HydrophobicContact CB-CD2 4.2Å; V297-W308 HydrophobicContact CB-CE3 3.9Å; V297-W308 HydrophobicContact CB-CH2 4.03Å; V297-W308 HydrophobicContact CB-CZ2 4.31Å; V297-W308 HydrophobicContact CB-CZ3 3.82Å; V297-W308 HydrophobicContact CG2-CD2 4.3Å; V297-W308 HydrophobicContact CG2-CE3 3.88Å; V297-W308 HydrophobicContact CG2-CZ3 4.19Å; V300-W308 HydrophobicContact CG1-CB 4.32Å; V300-W308 HydrophobicContact CG2-CG 4.16Å; I304-W308 PolarHBondContact O-N 3.39Å; R305-W308 PolarHBondContact O-N 3.39Å; W308-K310 PolarHBondContact O-N 3.26Å; W308-R311 WeakPolarHBondContact O-CB 3.39Å; W308-R311 WeakPolarHBondContact O-CD 3.4Å; W308-R311 VanDerWaalsContact O-CG 3.27Å; W308-R311 WeakPolarHBondContact O-CG 3.36Å; W308-R311 PolarHBondContact O-N 3.22Å; W308-R311 PolarHBondContact O-NH1 3.39Å |
| 309 | N | 85.8 | Confident | 88.4 | Confident | 112 Ų | 112 | 64.7 Ų | 64.7 | 60% | 0.599 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.4 | -28 | 175.2 | -70.6 | -21.8 | 0 | 0 | 0 | 112.3 | R305 Y307 | R305-N309 VanDerWaalsContact O-CG 3.31Å; R305-N309 PolarHBondContact O-N 3.05Å; R305-N309 PolarHBondContact O-ND2 3.02Å; Y307-N309 VanDerWaalsContact C-N 3.31Å; Y307-N309 PolarHBondContact O-N 3.22Å |
| 310 | K | 87.9 | Confident | 88.6 | Confident | 102 Ų | 102 | 61.3 Ų | 61.3 | 44% | 0.443 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 8.3 | -178.3 | -69.6 | 173.6 | 174.2 | -172.9 | 0 | 113.3 | Y307 W308 N312 V313 I314 Y323 | Y307-K310 CarbonylContact O-C 3.28Å; Y307-K310 VanDerWaalsContact O-C 3.28Å; Y307-K310 WeakPolarHBondContact O-CA 3.4Å; Y307-K310 PolarHBondContact O-N 3.29Å; W308-K310 PolarHBondContact O-N 3.26Å; K310-N312 PolarHBondContact O-N 2.58Å; K310-V313 HydrophobicContact CB-CG2 4.07Å; K310-V313 WeakPolarHBondContact O-CG2 3.45Å; K310-V313 PolarHBondContact O-N 3.22Å; K310-I314 HydrophobicContact CB-CD1 4.07Å; K310-I314 HydrophobicContact CB-CG1 4.35Å; K310-I314 WeakPolarHBondContact O-CG1 3.38Å; K310-I314 PolarHBondContact O-N 2.94Å; K310-Y323 HydrophobicContact CB-CE2 3.96Å; K310-Y323 HydrophobicContact CD-CD2 4.46Å; K310-Y323 HydrophobicContact CD-CE2 3.62Å; K310-Y323 HydrophobicContact CG-CE2 3.97Å |
| 311 | R | 90 | Very high | 88.7 | Confident | 76 Ų | 76 | 60.9 Ų | 60.9 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -53.4 | -31.3 | -169.2 | 67.7 | -170.5 | 178.2 | -77.9 | -2.2 | 115.4 | W293 Y307 W308 V313 I314 | W293-R311 HydrophobicContact CD2-CB 3.64Å; W293-R311 HydrophobicContact CE3-CB 4.26Å; W293-R311 HydrophobicContact CG-CB 3.8Å; W293-R311 HydrophobicContact CG-CG 4.42Å; W293-R311 HydrophobicContact CZ2-CB 4.08Å; Y307-R311 WeakPolarHBondContact O-CA 3.43Å; Y307-R311 PolarHBondContact O-N 3.26Å; W308-R311 WeakPolarHBondContact O-CB 3.39Å; W308-R311 WeakPolarHBondContact O-CD 3.4Å; W308-R311 VanDerWaalsContact O-CG 3.27Å; W308-R311 WeakPolarHBondContact O-CG 3.36Å; W308-R311 PolarHBondContact O-N 3.22Å; W308-R311 PolarHBondContact O-NH1 3.39Å; R311-V313 VanDerWaalsContact C-N 3.25Å; R311-V313 PolarHBondContact O-N 3.44Å; R311-I314 PolarHBondContact O-N 3.06Å |
| 312 | N | 85.9 | Confident | 88.7 | Confident | 143 Ų | 143 | 59 Ų | 59 | 77% | 0.765 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -74.3 | -17.1 | -177.4 | -63.5 | -23.2 | 0 | 0 | 0 | 113.3 | K310 | K310-N312 PolarHBondContact O-N 2.58Š|
| 313 | V | 88.1 | Confident | 88.5 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 32% | 0.321 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -112 | 3.7 | 179.3 | -69.2 | 0 | 0 | 0 | 0 | 111.6 | K310 R311 Y323 K324 | K310-V313 HydrophobicContact CB-CG2 4.07Å; K310-V313 WeakPolarHBondContact O-CG2 3.45Å; K310-V313 PolarHBondContact O-N 3.22Å; R311-V313 VanDerWaalsContact C-N 3.25Å; R311-V313 PolarHBondContact O-N 3.44Å; V313-Y323 HydrophobicContact CB-CE2 4.3Å; V313-Y323 HydrophobicContact CG2-CD2 3.85Å; V313-Y323 HydrophobicContact CG2-CE2 3.33Å; V313-K324 VanDerWaalsContact CB-O 3.27Å; V313-K324 WeakPolarHBondContact CB-O 3.46Å; V313-K324 WeakPolarHBondContact CG1-O 3.25Å; V313-K324 PolarHBondContact O-N 2.98Å |
| 314 | I | 90.1 | Very high | 87.8 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 8% | 0.077 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123 | 174.9 | -61.3 | 169.7 | 0 | 0 | 0 | 108.8 | V285 V289 W293 Y307 K310 R311 L321 L322 Y323 I331 | V285-I314 HydrophobicContact CG1-CG2 4.47Å; V289-I314 HydrophobicContact CG2-CB 4.43Å; V289-I314 HydrophobicContact CG2-CG2 3.65Å; W293-I314 HydrophobicContact CZ2-CD1 4.39Å; Y307-I314 HydrophobicContact CD1-CD1 4.03Å; Y307-I314 HydrophobicContact CG-CD1 4.45Å; Y307-I314 WeakPolarHBondContact O-CD1 3.27Å; K310-I314 HydrophobicContact CB-CD1 4.07Å; K310-I314 HydrophobicContact CB-CG1 4.35Å; K310-I314 WeakPolarHBondContact O-CG1 3.38Å; K310-I314 PolarHBondContact O-N 2.94Å; R311-I314 PolarHBondContact O-N 3.06Å; I314-L321 HydrophobicContact CG2-CD2 4.33Å; I314-L322 CarbonylContact C-O 3.53Å; I314-L322 VanDerWaalsContact CA-O 3.3Å; I314-L322 WeakPolarHBondContact CA-O 3.22Å; I314-Y323 HydrophobicContact CG1-CD2 4.29Å; I314-I331 HydrophobicContact CD1-CD1 4.32Å; I314-I331 HydrophobicContact CG1-CD1 4.12Å; I314-I331 HydrophobicContact CG2-CD1 3.83Å |
| 315 | G | 88.4 | Confident | 86.9 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 173.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L321 L322 | G315-L321 WeakPolarHBondContact O-CA 3.37Å; G315-L322 PolarHBondContact N-O 3.08Å; G315-L322 PolarHBondContact O-N 3.38Å |
| 316 | F | 89.8 | Confident | 85.9 | Confident | 87 Ų | 87 | 60.1 Ų | 60.1 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 128.2 | 173.2 | 176.4 | -113.1 | 0 | 0 | 0 | 109.1 | L286 V289 T290 G319 V320 L321 | L286-F316 HydrophobicContact CD1-CB 4.29Å; L286-F316 HydrophobicContact CD1-CD1 4.07Å; L286-F316 HydrophobicContact CD1-CD2 3.2Å; L286-F316 HydrophobicContact CD1-CE1 4.16Å; L286-F316 HydrophobicContact CD1-CE2 3.3Å; L286-F316 HydrophobicContact CD1-CG 3.6Å; L286-F316 HydrophobicContact CD1-CZ 3.78Å; L286-F316 HydrophobicContact CD2-CE2 4.36Å; L286-F316 HydrophobicContact CG-CE2 4.46Å; V289-F316 HydrophobicContact CG1-CB 3.74Å; T290-F316 HydrophobicContact CG2-CD1 4.04Å; T290-F316 HydrophobicContact CG2-CE1 4.46Å; F316-G319 VanDerWaalsContact CE2-CA 3.47Å; F316-V320 WeakPolarHBondContact CA-O 3.43Å; F316-V320 WeakPolarHBondContact CD2-O 3.11Å; F316-L321 HydrophobicContact CB-CD2 4.34Å; F316-L321 HydrophobicContact CD2-CD2 4.27Å; F316-L321 HydrophobicContact CD2-CG 4.5Å |
| 317 | Q | 83.7 | Confident | 84.8 | Confident | 52 Ų | 52 | 60.8 Ų | 60.8 | 24% | 0.243 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 132 | -175 | -172.5 | 162.2 | -11.5 | 0 | 0 | 109.9 | D257 L260 G319 V320 L322 | D257-Q317 PolarHBondContact OD1-NE2 2.93Å; L260-Q317 HydrophobicContact CD1-CG 4.16Å; Q317-G319 PolarHBondContact O-N 2.76Å; Q317-V320 PolarHBondContact N-O 2.76Å; Q317-V320 PolarHBondContact O-N 3.39Å; Q317-L322 HydrophobicContact CB-CD1 3.75Å; Q317-L322 HydrophobicContact CG-CD1 4.48Å |
| 318 | K | 80.8 | Confident | 83.9 | Confident | 74 Ų | 74 | 59.5 Ų | 59.5 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 37.6 | 179.9 | -58.8 | -175.8 | 177 | -176.7 | 0 | 114.7 | D257 L260 D261 R269 | D257-K318 PolarHBondContact O-NZ 3.24Å; D257-K318 VanDerWaalsContact OD1-CE 3.27Å; D257-K318 WeakPolarHBondContact OD1-CE 3.39Å; D257-K318 IonicContact OD1-NZ 3.29Å; L260-K318 HydrophobicContact CB-CD 4.18Å; L260-K318 HydrophobicContact CD1-CD 4.1Å; L260-K318 HydrophobicContact CD1-CG 4.48Å; D261-K318 IonicContact OD1-NZ 3.61Å; D261-K318 IonicContact OD2-NZ 3.74Å; D261-K318 PolarHBondContact OD2-NZ 3.36Å; R269-K318 VanDerWaalsContact CD-O 3.28Å; R269-K318 WeakPolarHBondContact CD-O 3.44Å; R269-K318 PolarHBondContact NH1-O 2.93Å |
| 319 | G | 83.2 | Confident | 83.4 | Confident | 24 Ų | 24 | 64 Ų | 64 | 25% | 0.247 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 1.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A273 F316 Q317 | A273-G319 WeakPolarHBondContact CB-O 3.25Å; F316-G319 VanDerWaalsContact CE2-CA 3.47Å; Q317-G319 PolarHBondContact O-N 2.76Å |
| 320 | V | 88.6 | Confident | 83.5 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.2 | -176.6 | -179.6 | 0 | 0 | 0 | 0 | 111 | R269 V272 F316 Q317 L322 V330 | R269-V320 HydrophobicContact CG-CG2 3.59Å; V272-V320 HydrophobicContact CB-CG2 4.37Å; V272-V320 HydrophobicContact CG1-CG1 3.98Å; V272-V320 HydrophobicContact CG1-CG2 4.18Å; F316-V320 WeakPolarHBondContact CA-O 3.43Å; F316-V320 WeakPolarHBondContact CD2-O 3.11Å; Q317-V320 PolarHBondContact N-O 2.76Å; Q317-V320 PolarHBondContact O-N 3.39Å; V320-L322 HydrophobicContact CG1-CD2 4.18Å; V320-V330 HydrophobicContact CG1-CB 4.33Å; V320-V330 HydrophobicContact CG1-CG1 3.63Å; V320-V330 HydrophobicContact CG1-CG2 4.03Å |
| 321 | L | 91.2 | Very high | 83.6 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 126.5 | 170.4 | -76.8 | 171.5 | 0 | 0 | 0 | 109.8 | T276 L282 V285 L286 V289 I314 G315 F316 I331 | T276-L321 HydrophobicContact CG2-CD1 4.17Å; L282-L321 HydrophobicContact CB-CD1 4.16Å; L282-L321 HydrophobicContact CD2-CD1 4.25Å; V285-L321 HydrophobicContact CB-CD1 4.29Å; V285-L321 HydrophobicContact CG1-CD1 3.94Å; V285-L321 HydrophobicContact CG1-CD2 4.35Å; L286-L321 HydrophobicContact CB-CD1 4.29Å; L286-L321 HydrophobicContact CB-CD2 4.45Å; L286-L321 HydrophobicContact CD1-CD2 4.07Å; L286-L321 HydrophobicContact CD1-CG 4.44Å; V289-L321 HydrophobicContact CB-CD2 4.36Å; V289-L321 HydrophobicContact CG1-CD2 4.48Å; V289-L321 HydrophobicContact CG2-CD2 4.05Å; I314-L321 HydrophobicContact CG2-CD2 4.33Å; G315-L321 WeakPolarHBondContact O-CA 3.37Å; F316-L321 HydrophobicContact CB-CD2 4.34Å; F316-L321 HydrophobicContact CD2-CD2 4.27Å; F316-L321 HydrophobicContact CD2-CG 4.5Å; L321-I331 HydrophobicContact CB-CB 3.95Å; L321-I331 HydrophobicContact CB-CD1 4.22Å; L321-I331 HydrophobicContact CB-CG1 4.34Å; L321-I331 PolarHBondContact O-N 2.83Å |
| 322 | L | 89.3 | Confident | 83.6 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.6 | -178 | -63.5 | 177.5 | 0 | 0 | 0 | 111 | I314 G315 Q317 V320 K324 R329 V330 | I314-L322 CarbonylContact C-O 3.53Å; I314-L322 VanDerWaalsContact CA-O 3.3Å; I314-L322 WeakPolarHBondContact CA-O 3.22Å; G315-L322 PolarHBondContact N-O 3.08Å; G315-L322 PolarHBondContact O-N 3.38Å; Q317-L322 HydrophobicContact CB-CD1 3.75Å; Q317-L322 HydrophobicContact CG-CD1 4.48Å; V320-L322 HydrophobicContact CG1-CD2 4.18Å; L322-K324 HydrophobicContact CB-CG 4.19Å; L322-R329 CarbonylContact C-O 3.57Å; L322-R329 VanDerWaalsContact CA-O 3.29Å; L322-R329 WeakPolarHBondContact CA-O 3.47Å; L322-V330 HydrophobicContact CD2-CG2 4.12Å |
| 323 | Y | 85.6 | Confident | 83.8 | Confident | 58 Ų | 58 | 49 Ų | 49 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 104.3 | 166.3 | -177.4 | -119.5 | 0 | 0 | 0 | 108.6 | K310 V313 I314 T325 R329 | K310-Y323 HydrophobicContact CB-CE2 3.96Å; K310-Y323 HydrophobicContact CD-CD2 4.46Å; K310-Y323 HydrophobicContact CD-CE2 3.62Å; K310-Y323 HydrophobicContact CG-CE2 3.97Å; V313-Y323 HydrophobicContact CB-CE2 4.3Å; V313-Y323 HydrophobicContact CG2-CD2 3.85Å; V313-Y323 HydrophobicContact CG2-CE2 3.33Å; I314-Y323 HydrophobicContact CG1-CD2 4.29Å; Y323-T325 HydrophobicContact CD1-CG2 3.85Å; Y323-T325 HydrophobicContact CE1-CG2 3.29Å; Y323-T325 HydrophobicContact CE2-CG2 4.26Å; Y323-R329 PolarHBondContact N-O 3.14Å; Y323-R329 PolarHBondContact O-N 3.29Å |
| 324 | K | 77.8 | Confident | 83.8 | Confident | 76 Ų | 76 | 52.5 Ų | 52.5 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 98.7 | -171.6 | -55.5 | -164.3 | 171.3 | -163.7 | 0 | 110.2 | V313 L322 N328 | V313-K324 VanDerWaalsContact CB-O 3.27Å; V313-K324 WeakPolarHBondContact CB-O 3.46Å; V313-K324 WeakPolarHBondContact CG1-O 3.25Å; V313-K324 PolarHBondContact O-N 2.98Å; L322-K324 HydrophobicContact CB-CG 4.19Å; K324-N328 WeakPolarHBondContact CG-OD1 3.44Å |
| 325 | T | 74.7 | Confident | 83.6 | Confident | 67 Ų | 67 | 57.3 Ų | 57.3 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -109.6 | -131.1 | 174.2 | 54 | 0 | 0 | 0 | 0 | 109.3 | Y323 F327 | Y323-T325 HydrophobicContact CD1-CG2 3.85Å; Y323-T325 HydrophobicContact CE1-CG2 3.29Å; Y323-T325 HydrophobicContact CE2-CG2 4.26Å; T325-F327 PolarHBondContact N-O 3.46Å; T325-F327 VanDerWaalsContact N-O 3.09Å; T325-F327 PolarHBondContact OG1-O 2.85Å; T325-F327 VanDerWaalsContact OG1-O 3.13Å |
| 326 | E | 67.8 | Low | 83.4 | Confident | 141 Ų | 141 | 59 Ų | 59 | 66% | 0.659 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -68.8 | -25.7 | 166.3 | -61.2 | -178.2 | 164.1 | 0 | 0 | 111.2 | ||
| 327 | F | 68.9 | Low | 83.1 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 38% | 0.382 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -127.7 | 150.5 | 171.9 | -49.1 | -84.8 | 0 | 0 | 0 | 109.7 | T325 | T325-F327 PolarHBondContact N-O 3.46Å; T325-F327 VanDerWaalsContact N-O 3.09Å; T325-F327 PolarHBondContact OG1-O 2.85Å; T325-F327 VanDerWaalsContact OG1-O 3.13Å |
| 328 | N | 73.2 | Confident | 82.2 | Confident | 27 Ų | 27 | 66.4 Ų | 66.4 | 14% | 0.144 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 130.3 | 169.5 | -68.1 | -39.4 | 0 | 0 | 0 | 109 | L255 K324 | L255-N328 HydrophobicContact CB-CB 3.61Å; L255-N328 VanDerWaalsContact CD1-O 3.22Å; L255-N328 WeakPolarHBondContact CD1-O 3.5Å; L255-N328 PolarHBondContact O-ND2 3.39Å; K324-N328 WeakPolarHBondContact CG-OD1 3.44Å |
| 329 | R | 81.6 | Confident | 80.4 | Confident | 129 Ų | 129 | 76.3 Ų | 76.3 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 143.7 | 174.9 | -60.9 | -177.7 | -176.9 | -174.4 | 0.7 | 110.2 | L322 Y323 | L322-R329 CarbonylContact C-O 3.57Å; L322-R329 VanDerWaalsContact CA-O 3.29Å; L322-R329 WeakPolarHBondContact CA-O 3.47Å; Y323-R329 PolarHBondContact N-O 3.14Å; Y323-R329 PolarHBondContact O-N 3.29Å |
| 330 | V | 86.1 | Confident | 80.3 | Confident | 48 Ų | 48 | 79 Ų | 79 | 29% | 0.291 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 132.9 | 176.3 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | L255 V272 V320 L322 V332 | L255-V330 HydrophobicContact CD1-CG2 4.03Å; V272-V330 HydrophobicContact CG1-CG1 3.91Å; V272-V330 HydrophobicContact CG2-CG1 4.48Å; V320-V330 HydrophobicContact CG1-CB 4.33Å; V320-V330 HydrophobicContact CG1-CG1 3.63Å; V320-V330 HydrophobicContact CG1-CG2 4.03Å; L322-V330 HydrophobicContact CD2-CG2 4.12Å; V330-V332 HydrophobicContact CG1-CG2 4.21Å; V330-V332 PolarHBondContact O-N 2.9Å |
| 331 | I | 90.8 | Very high | 79.8 | Confident | 19 Ų | 19 | 83 Ų | 83 | 10% | 0.097 | 39% | 0.391 | C | S | . | . | trans | -82.1 | 102.3 | 168.5 | -59.2 | -176 | 0 | 0 | 0 | 107.5 | L282 Y307 I314 L321 | L282-I331 HydrophobicContact CD1-CG2 4.25Å; L282-I331 HydrophobicContact CD2-CG2 3.67Å; Y307-I331 HydrophobicContact CD1-CD1 4.4Å; Y307-I331 HydrophobicContact CE1-CD1 4.43Å; Y307-I331 HydrophobicContact CE1-CG2 3.8Å; I314-I331 HydrophobicContact CD1-CD1 4.32Å; I314-I331 HydrophobicContact CG1-CD1 4.12Å; I314-I331 HydrophobicContact CG2-CD1 3.83Å; L321-I331 HydrophobicContact CB-CB 3.95Å; L321-I331 HydrophobicContact CB-CD1 4.22Å; L321-I331 HydrophobicContact CB-CG1 4.34Å; L321-I331 PolarHBondContact O-N 2.83Å | ||
| 332 | V | 90.1 | Very high | 79.2 | Confident | 53 Ų | 53 | 87.6 Ų | 87.6 | 32% | 0.321 | 41% | 0.413 | S | S | . | . | trans | -80.3 | 126.5 | -173.9 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | V330 L336 Q337 | V330-V332 HydrophobicContact CG1-CG2 4.21Å; V330-V332 PolarHBondContact O-N 2.9Å; V332-L336 HydrophobicContact CG1-CB 3.61Å; V332-Q337 HydrophobicContact CB-CG 4.3Å; V332-Q337 HydrophobicContact CG1-CG 4.02Å; V332-Q337 PolarHBondContact O-NE2 2.72Å | ||
| 333 | P | 90.5 | Very high | 78.6 | Confident | 0 Ų | 0 | 92.6 Ų | 92.6 | 0% | 0 | 44% | 0.436 | C | S | . | . | trans | -58 | 150.1 | 172.7 | -25.2 | 34.7 | 0 | 0 | 0 | 113.5 | A275 T276 D279 L282 E335 L336 Q337 | A275-P333 HydrophobicContact CB-CB 3.81Å; A275-P333 HydrophobicContact CB-CG 3.76Å; T276-P333 VanDerWaalsContact OG1-CG 3.31Å; T276-P333 WeakPolarHBondContact OG1-CG 3.38Å; D279-P333 HydrophobicContact CB-CB 4.31Å; L282-P333 VanDerWaalsContact CD1-CA 3.49Å; L282-P333 HydrophobicContact CD1-CB 3.94Å; L282-P333 HydrophobicContact CD1-CG 3.79Å; P333-E335 PolarHBondContact O-N 3.43Å; P333-E335 VanDerWaalsContact O-N 3.12Å; P333-L336 HydrophobicContact CG-CD1 4.24Å; P333-L336 PolarHBondContact O-N 3.33Å; P333-Q337 PolarHBondContact O-N 2.85Å | ||
| 334 | L | 87.2 | Confident | 78.2 | Confident | 126 Ų | 126 | 94.8 Ų | 94.8 | 66% | 0.66 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -57.3 | -33.3 | -175.5 | -169.5 | 71.4 | 0 | 0 | 0 | 113.1 | D279 L336 Q337 | D279-L334 PolarHBondContact OD2-N 3.33Å; L334-L336 PolarHBondContact O-N 3.45Å; L334-Q337 PolarHBondContact O-N 3.21Å |
| 335 | E | 86.6 | Confident | 78.2 | Confident | 116 Ų | 116 | 96 Ų | 96 | 54% | 0.542 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -63.3 | -28.4 | 177.2 | -174.1 | 179.4 | 168 | 0 | 0 | 113.5 | R278 P333 | R278-E335 IonicContact CZ-OE1 3.65Å; R278-E335 IonicContact CZ-OE2 3.75Å; R278-E335 IonicContact NE-OE2 3.19Å; R278-E335 VanDerWaalsContact NH1-CD 3.27Å; R278-E335 IonicContact NH1-OE1 2.81Å; R278-E335 PolarHBondContact NH1-OE1 3.37Å; R278-E335 IonicContact NH1-OE2 3.21Å; R278-E335 PolarHBondContact NH1-OE2 3.21Å; R278-E335 IonicContact NH2-OE1 2.91Å; R278-E335 PolarHBondContact NH2-OE1 2.9Å; R278-E335 IonicContact NH2-OE2 2.72Å; R278-E335 PolarHBondContact NH2-OE2 3.02Å; P333-E335 PolarHBondContact O-N 3.43Å; P333-E335 VanDerWaalsContact O-N 3.12Å |
| 336 | L | 84.9 | Confident | 78.4 | Confident | 49 Ų | 49 | 98.1 Ų | 98.1 | 26% | 0.257 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -101 | -0.1 | -176.7 | -66.2 | 171.1 | 0 | 0 | 0 | 112.9 | V267 V272 A275 V332 P333 L334 E338 | V267-L336 HydrophobicContact CG1-CD1 3.85Å; V267-L336 HydrophobicContact CG1-CD2 4.1Å; V267-L336 HydrophobicContact CG2-CD2 4.46Å; V272-L336 HydrophobicContact CG2-CD1 4.26Å; A275-L336 HydrophobicContact CB-CD1 3.45Å; A275-L336 VanDerWaalsContact CB-CD1 3.45Å; A275-L336 HydrophobicContact CB-CG 3.86Å; V332-L336 HydrophobicContact CG1-CB 3.61Å; P333-L336 HydrophobicContact CG-CD1 4.24Å; P333-L336 PolarHBondContact O-N 3.33Å; L334-L336 PolarHBondContact O-N 3.45Å; L336-E338 PolarHBondContact O-N 2.91Å |
| 337 | Q | 82 | Confident | 79.2 | Confident | 100 Ų | 100 | 94.8 Ų | 94.8 | 47% | 0.467 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -82.4 | 104.2 | 171 | -65.3 | 173.4 | 22.2 | 0 | 0 | 107.2 | V332 P333 L334 | V332-Q337 HydrophobicContact CB-CG 4.3Å; V332-Q337 HydrophobicContact CG1-CG 4.02Å; V332-Q337 PolarHBondContact O-NE2 2.72Å; P333-Q337 PolarHBondContact O-N 2.85Å; L334-Q337 PolarHBondContact O-N 3.21Å |
| 338 | E | 64.9 | Low | 80.1 | Confident | 196 Ų | 196 | 95.4 Ų | 95.4 | 92% | 0.916 | 45% | 0.451 | S | S | * | . | trans | -54.9 | 141.6 | 172.3 | -78.6 | -172.8 | 153.3 | 0 | 0 | 110.6 | L336 | L336-E338 PolarHBondContact O-N 2.91Š| ||
| 339 | K | 43.5 | Very low | 80.7 | Confident | 282 Ų | 282 | 101.6 Ų | 101.6 | 100% | 1.226 | 48% | 0.479 | S | S | * | . | trans | -83.9 | 0 | 177.9 | -95.3 | -170.3 | 177.8 | -179.4 | 0 | 112.7 |
Retrieved 339 of 339 residues in 197.5 ms
(Link to these results)