| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.7 | Very low | 76.6 | Confident | 218 Ų | 218 | 98.2 Ų | 98.2 | 100% | 1.074 | 52% | 0.518 | S | S | * | . | 0 | 113.8 | 0 | -177.6 | 177 | 169.8 | 0 | 0 | 107.3 | V3 | M1-V3 HydrophobicContact CE-CG2 4.44Å; M1-V3 HydrophobicContact CG-CG2 4.2Å; M1-V3 PolarHBondContact O-N 3.18Å | |||
| 2 | V | 57.3 | Low | 77.8 | Confident | 138 Ų | 138 | 96.9 Ų | 96.9 | 84% | 0.836 | 52% | 0.517 | S | S | * | . | trans | -76.8 | 106.9 | 175.1 | 177.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 3 | V | 70.4 | Confident | 79 | Confident | 119 Ų | 119 | 98.5 Ų | 98.5 | 72% | 0.721 | 52% | 0.524 | S | S | * | . | trans | -90.6 | 105.2 | 177.6 | -175.8 | 0 | 0 | 0 | 0 | 107.3 | M1 | M1-V3 HydrophobicContact CE-CG2 4.44Å; M1-V3 HydrophobicContact CG-CG2 4.2Å; M1-V3 PolarHBondContact O-N 3.18Å | ||
| 4 | L | 74.6 | Confident | 80 | Confident | 92 Ų | 92 | 92.1 Ų | 92.1 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | trans | -76.1 | 141.8 | 173.2 | -77.4 | 164.6 | 0 | 0 | 0 | 110 | Y8 L80 | L4-Y8 HydrophobicContact CD1-CD1 3.82Å; L4-Y8 HydrophobicContact CD1-CE1 4.08Å; L4-Y8 HydrophobicContact CD1-CG 4.44Å; L4-Y8 HydrophobicContact CD2-CD1 4.05Å; L4-Y8 HydrophobicContact CD2-CD2 4.12Å; L4-Y8 HydrophobicContact CD2-CE1 4.36Å; L4-Y8 HydrophobicContact CD2-CE2 4.42Å; L4-Y8 HydrophobicContact CD2-CG 3.92Å; L4-Y8 HydrophobicContact CG-CD1 4.39Å; L4-L80 HydrophobicContact CD2-CD2 3.73Å | ||
| 5 | S | 77.7 | Confident | 80.8 | Confident | 73 Ų | 73 | 86.9 Ų | 86.9 | 51% | 0.51 | 47% | 0.468 | S | S | . | . | trans | -60.4 | 145.8 | 173.6 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | E7 Y8 | S5-E7 PolarHBondContact O-N 3.21Å; S5-Y8 VanDerWaalsContact O-CB 3.26Å; S5-Y8 WeakPolarHBondContact O-CB 3.41Å; S5-Y8 PolarHBondContact O-N 3.14Å | ||
| 6 | K | 81.4 | Confident | 81.6 | Confident | 200 Ų | 200 | 85.9 Ų | 85.9 | 87% | 0.87 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -32.8 | 176.4 | -68.3 | -178 | 179.9 | 179.2 | 0 | 112.1 | Y8 G9 | K6-Y8 PolarHBondContact O-N 2.95Å; K6-G9 PolarHBondContact O-N 3.37Å; K6-G9 VanDerWaalsContact O-N 3.12Å |
| 7 | E | 84.1 | Confident | 82.3 | Confident | 43 Ų | 43 | 83.3 Ų | 83.3 | 20% | 0.201 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -24.7 | 178.6 | -57.8 | -64.9 | 149.4 | 0 | 0 | 113.4 | S5 G9 Y10 P83 R84 | S5-E7 PolarHBondContact O-N 3.21Å; E7-G9 PolarHBondContact O-N 3.38Å; E7-Y10 WeakPolarHBondContact O-CB 3.48Å; E7-Y10 VanDerWaalsContact O-CD2 3.24Å; E7-Y10 WeakPolarHBondContact O-CD2 3.18Å; E7-Y10 PolarHBondContact O-N 3.08Å; E7-Y10 VanDerWaalsContact O-N 3.11Å; E7-Y10 WeakPolarHBondContact OE2-CE2 3.12Å; E7-P83 HydrophobicContact CB-CB 4.07Å; E7-P83 HydrophobicContact CB-CG 3.69Å; E7-R84 IonicContact OE1-CZ 3.36Å; E7-R84 IonicContact OE1-NE 2.7Å; E7-R84 IonicContact OE1-NH2 3.24Å; E7-R84 PolarHBondContact OE1-NH2 3Å; E7-R84 WeakPolarHBondContact OE2-CG 3.17Å; E7-R84 IonicContact OE2-CZ 3.69Å; E7-R84 IonicContact OE2-NE 3.15Å; E7-R84 PolarHBondContact OE2-NE 3.46Å; E7-R84 IonicContact OE2-NH2 2.72Å; E7-R84 PolarHBondContact OE2-NH2 2.83Å |
| 8 | Y | 87.4 | Confident | 82.9 | Confident | 35 Ų | 35 | 78.7 Ų | 78.7 | 14% | 0.137 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.8 | -19.5 | 175.5 | -161 | -95.7 | 0 | 0 | 0 | 112 | L4 S5 K6 Y10 V11 V12 A76 G79 L80 | L4-Y8 HydrophobicContact CD1-CD1 3.82Å; L4-Y8 HydrophobicContact CD1-CE1 4.08Å; L4-Y8 HydrophobicContact CD1-CG 4.44Å; L4-Y8 HydrophobicContact CD2-CD1 4.05Å; L4-Y8 HydrophobicContact CD2-CD2 4.12Å; L4-Y8 HydrophobicContact CD2-CE1 4.36Å; L4-Y8 HydrophobicContact CD2-CE2 4.42Å; L4-Y8 HydrophobicContact CD2-CG 3.92Å; L4-Y8 HydrophobicContact CG-CD1 4.39Å; S5-Y8 VanDerWaalsContact O-CB 3.26Å; S5-Y8 WeakPolarHBondContact O-CB 3.41Å; S5-Y8 PolarHBondContact O-N 3.14Å; K6-Y8 PolarHBondContact O-N 2.95Å; Y8-Y10 PolarHBondContact O-N 3.1Å; Y8-V11 HydrophobicContact CD2-CB 4.26Å; Y8-V11 HydrophobicContact CD2-CG2 4.05Å; Y8-V11 HydrophobicContact CE2-CB 4.23Å; Y8-V11 HydrophobicContact CE2-CG1 4.18Å; Y8-V11 HydrophobicContact CE2-CG2 4.25Å; Y8-V11 HydrophobicContact CG-CB 4.41Å; Y8-V11 HydrophobicContact CG-CG2 4.49Å; Y8-V11 WeakPolarHBondContact O-CB 3.46Å; Y8-V11 PolarHBondContact O-N 2.92Å; Y8-V12 HydrophobicContact CD1-CG2 3.99Å; Y8-V12 HydrophobicContact CE1-CG2 4.07Å; Y8-V12 PolarHBondContact O-N 2.72Å; Y8-V12 VanDerWaalsContact O-N 3.15Å; Y8-A76 PolarHBondContact OH-O 3.42Å; Y8-G79 VanDerWaalsContact CD2-O 3.32Å; Y8-G79 WeakPolarHBondContact CD2-O 3.3Å; Y8-G79 VanDerWaalsContact CE2-C 3.49Å; Y8-G79 WeakPolarHBondContact CE2-O 3.32Å; Y8-L80 HydrophobicContact CD2-CD2 4.33Å; Y8-L80 HydrophobicContact CE2-CD2 3.67Å; Y8-L80 HydrophobicContact CE2-CG 4.14Å |
| 9 | G | 87.9 | Confident | 83.4 | Confident | 35 Ų | 35 | 80.7 Ų | 80.7 | 36% | 0.361 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -53.9 | -34.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K6 E7 V11 V12 L13 | K6-G9 PolarHBondContact O-N 3.37Å; K6-G9 VanDerWaalsContact O-N 3.12Å; E7-G9 PolarHBondContact O-N 3.38Å; G9-V11 PolarHBondContact O-N 2.91Å; G9-V12 PolarHBondContact O-N 3.02Å; G9-L13 WeakPolarHBondContact O-CG 3.36Å; G9-L13 PolarHBondContact O-N 3.45Å |
| 10 | Y | 90 | Very high | 84 | Confident | 122 Ų | 122 | 82.6 Ų | 82.6 | 48% | 0.478 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66 | -37.6 | 175.7 | -62.3 | -57.6 | 0 | 0 | 0 | 112.9 | E7 Y8 V12 L13 T14 S87 | E7-Y10 WeakPolarHBondContact O-CB 3.48Å; E7-Y10 VanDerWaalsContact O-CD2 3.24Å; E7-Y10 WeakPolarHBondContact O-CD2 3.18Å; E7-Y10 PolarHBondContact O-N 3.08Å; E7-Y10 VanDerWaalsContact O-N 3.11Å; E7-Y10 WeakPolarHBondContact OE2-CE2 3.12Å; Y8-Y10 PolarHBondContact O-N 3.1Å; Y10-V12 VanDerWaalsContact C-N 3.34Å; Y10-L13 PolarHBondContact O-N 3.41Å; Y10-T14 WeakPolarHBondContact O-CB 3.47Å; Y10-T14 PolarHBondContact O-N 3.46Å; Y10-T14 PolarHBondContact O-OG1 3.17Å; Y10-S87 PolarHBondContact O-OG 3.06Å |
| 11 | V | 90.9 | Very high | 84.4 | Confident | 5 Ų | 5 | 78.9 Ų | 78.9 | 3% | 0.03 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 175.6 | -176.1 | 0 | 0 | 0 | 0 | 110 | Y8 G9 T14 G15 L75 P83 | Y8-V11 HydrophobicContact CD2-CB 4.26Å; Y8-V11 HydrophobicContact CD2-CG2 4.05Å; Y8-V11 HydrophobicContact CE2-CB 4.23Å; Y8-V11 HydrophobicContact CE2-CG1 4.18Å; Y8-V11 HydrophobicContact CE2-CG2 4.25Å; Y8-V11 HydrophobicContact CG-CB 4.41Å; Y8-V11 HydrophobicContact CG-CG2 4.49Å; Y8-V11 WeakPolarHBondContact O-CB 3.46Å; Y8-V11 PolarHBondContact O-N 2.92Å; G9-V11 PolarHBondContact O-N 2.91Å; V11-T14 WeakPolarHBondContact O-CB 3.47Å; V11-T14 PolarHBondContact O-N 3.19Å; V11-G15 PolarHBondContact O-N 3.29Å; V11-L75 HydrophobicContact CG1-CD1 4.02Å; V11-L75 HydrophobicContact CG1-CG 3.86Å; V11-L75 WeakPolarHBondContact CG1-O 2.99Å; V11-P83 HydrophobicContact CG2-CB 3.84Å; V11-P83 WeakPolarHBondContact CG2-O 3.25Å |
| 12 | V | 91.6 | Very high | 86.9 | Confident | 83 Ų | 83 | 69.6 Ų | 69.6 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 177.4 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | Y8 G9 Y10 T14 G15 V16 | Y8-V12 HydrophobicContact CD1-CG2 3.99Å; Y8-V12 HydrophobicContact CE1-CG2 4.07Å; Y8-V12 PolarHBondContact O-N 2.72Å; Y8-V12 VanDerWaalsContact O-N 3.15Å; G9-V12 PolarHBondContact O-N 3.02Å; Y10-V12 VanDerWaalsContact C-N 3.34Å; V12-T14 VanDerWaalsContact C-N 3.27Å; V12-T14 PolarHBondContact O-N 3.29Å; V12-G15 WeakPolarHBondContact O-CA 3.47Å; V12-G15 PolarHBondContact O-N 2.68Å; V12-G15 VanDerWaalsContact O-N 3.11Å; V12-V16 PolarHBondContact O-N 2.86Å |
| 13 | L | 93.1 | Very high | 88.6 | Confident | 117 Ų | 117 | 65 Ų | 65 | 61% | 0.613 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.6 | -38.4 | 176.3 | -69.6 | 175.1 | 0 | 0 | 0 | 111.9 | G9 Y10 G15 V16 A17 | G9-L13 WeakPolarHBondContact O-CG 3.36Å; G9-L13 PolarHBondContact O-N 3.45Å; Y10-L13 PolarHBondContact O-N 3.41Å; L13-G15 VanDerWaalsContact C-N 3.34Å; L13-V16 PolarHBondContact O-N 3.35Å; L13-A17 WeakPolarHBondContact O-CB 3.48Å; L13-A17 PolarHBondContact O-N 3.31Å |
| 14 | T | 92.8 | Very high | 89.6 | Confident | 10 Ų | 10 | 63 Ų | 63 | 6% | 0.061 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 175.4 | -52.2 | 0 | 0 | 0 | 0 | 111.1 | Y10 V11 V12 A17 S18 L75 S87 I94 | Y10-T14 WeakPolarHBondContact O-CB 3.47Å; Y10-T14 PolarHBondContact O-N 3.46Å; Y10-T14 PolarHBondContact O-OG1 3.17Å; V11-T14 WeakPolarHBondContact O-CB 3.47Å; V11-T14 PolarHBondContact O-N 3.19Å; V12-T14 VanDerWaalsContact C-N 3.27Å; V12-T14 PolarHBondContact O-N 3.29Å; T14-A17 PolarHBondContact O-N 2.8Å; T14-S18 PolarHBondContact O-N 2.91Å; T14-L75 HydrophobicContact CG2-CD1 4.18Å; T14-L75 HydrophobicContact CG2-CD2 4.18Å; T14-S87 PolarHBondContact OG1-OG 2.92Å; T14-I94 HydrophobicContact CG2-CD1 3.9Å; T14-I94 WeakPolarHBondContact O-CD1 3.12Å |
| 15 | G | 92.4 | Very high | 90.4 | Very high | 14 Ų | 14 | 58.9 Ų | 58.9 | 14% | 0.144 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V11 V12 L13 A17 S18 M19 | V11-G15 PolarHBondContact O-N 3.29Å; V12-G15 WeakPolarHBondContact O-CA 3.47Å; V12-G15 PolarHBondContact O-N 2.68Å; V12-G15 VanDerWaalsContact O-N 3.11Å; L13-G15 VanDerWaalsContact C-N 3.34Å; G15-A17 PolarHBondContact O-N 3.48Å; G15-S18 WeakPolarHBondContact O-CB 3.3Å; G15-S18 PolarHBondContact O-N 2.91Å; G15-S18 VanDerWaalsContact O-N 3.16Å; G15-S18 PolarHBondContact O-OG 2.83Å; G15-M19 PolarHBondContact O-N 3.37Å; G15-M19 VanDerWaalsContact O-N 3.16Å |
| 16 | V | 93.9 | Very high | 91 | Very high | 70 Ų | 70 | 57.4 Ų | 57.4 | 42% | 0.424 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 176.4 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | V12 L13 S18 M19 I20 | V12-V16 PolarHBondContact O-N 2.86Å; L13-V16 PolarHBondContact O-N 3.35Å; V16-S18 VanDerWaalsContact C-N 3.25Å; V16-S18 PolarHBondContact O-N 3.27Å; V16-M19 WeakPolarHBondContact O-CB 3.33Å; V16-M19 PolarHBondContact O-N 3.28Å; V16-M19 VanDerWaalsContact O-N 3.12Å; V16-I20 HydrophobicContact CG1-CD1 4.4Å; V16-I20 PolarHBondContact O-N 3.19Å; V16-I20 VanDerWaalsContact O-N 3.15Å |
| 17 | A | 93.3 | Very high | 91.6 | Very high | 42 Ų | 42 | 54.9 Ų | 54.9 | 35% | 0.347 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.4 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L13 T14 G15 M19 I20 M21 I94 | L13-A17 WeakPolarHBondContact O-CB 3.48Å; L13-A17 PolarHBondContact O-N 3.31Å; T14-A17 PolarHBondContact O-N 2.8Å; G15-A17 PolarHBondContact O-N 3.48Å; A17-M19 VanDerWaalsContact C-N 3.33Å; A17-M19 PolarHBondContact O-N 2.92Å; A17-I20 PolarHBondContact O-N 3.13Å; A17-M21 PolarHBondContact O-N 2.89Å; A17-I94 HydrophobicContact CB-CD1 3.95Å |
| 18 | S | 92.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.3 | -31.7 | 176.8 | 78.2 | 0 | 0 | 0 | 0 | 113.2 | T14 G15 V16 M21 I22 Y68 | T14-S18 PolarHBondContact O-N 2.91Å; G15-S18 WeakPolarHBondContact O-CB 3.3Å; G15-S18 PolarHBondContact O-N 2.91Å; G15-S18 VanDerWaalsContact O-N 3.16Å; G15-S18 PolarHBondContact O-OG 2.83Å; V16-S18 VanDerWaalsContact C-N 3.25Å; V16-S18 PolarHBondContact O-N 3.27Å; S18-M21 WeakPolarHBondContact O-CB 3.2Å; S18-M21 PolarHBondContact O-N 3.49Å; S18-I22 PolarHBondContact O-N 3.32Å; S18-I22 VanDerWaalsContact O-N 3.14Å; S18-Y68 WeakPolarHBondContact OG-CE2 3.5Å; S18-Y68 PolarHBondContact OG-OH 3.05Å |
| 19 | M | 92.9 | Very high | 92 | Very high | 117 Ų | 117 | 54.2 Ų | 54.2 | 58% | 0.576 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.3 | -43.5 | 171.8 | -67.7 | 171.4 | 37.5 | 0 | 0 | 111.9 | G15 V16 A17 M21 I22 G23 Y68 | G15-M19 PolarHBondContact O-N 3.37Å; G15-M19 VanDerWaalsContact O-N 3.16Å; V16-M19 WeakPolarHBondContact O-CB 3.33Å; V16-M19 PolarHBondContact O-N 3.28Å; V16-M19 VanDerWaalsContact O-N 3.12Å; A17-M19 VanDerWaalsContact C-N 3.33Å; A17-M19 PolarHBondContact O-N 2.92Å; M19-M21 VanDerWaalsContact C-N 3.3Å; M19-M21 PolarHBondContact O-N 3.35Å; M19-I22 PolarHBondContact O-N 3.34Å; M19-G23 PolarHBondContact O-N 2.99Å; M19-Y68 WeakPolarHBondContact CG-OH 3.45Å |
| 20 | I | 94.4 | Very high | 92 | Very high | 118 Ų | 118 | 53.8 Ų | 53.8 | 61% | 0.605 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.4 | -43.7 | 177.5 | -65.1 | 170.6 | 0 | 0 | 0 | 110.1 | V16 A17 I22 G23 H24 | V16-I20 HydrophobicContact CG1-CD1 4.4Å; V16-I20 PolarHBondContact O-N 3.19Å; V16-I20 VanDerWaalsContact O-N 3.15Å; A17-I20 PolarHBondContact O-N 3.13Å; I20-I22 PolarHBondContact O-N 2.87Å; I20-G23 PolarHBondContact O-N 3.25Å; I20-H24 WeakPolarHBondContact O-CB 3.28Å; I20-H24 PolarHBondContact O-N 3.43Å |
| 21 | M | 93.4 | Very high | 92 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.9 | -48.9 | 175.3 | 177.9 | -152 | 68 | 0 | 0 | 111.8 | A17 S18 M19 G23 H24 L25 T64 W93 I94 R97 E98 | A17-M21 PolarHBondContact O-N 2.89Å; S18-M21 WeakPolarHBondContact O-CB 3.2Å; S18-M21 PolarHBondContact O-N 3.49Å; M19-M21 VanDerWaalsContact C-N 3.3Å; M19-M21 PolarHBondContact O-N 3.35Å; M21-G23 VanDerWaalsContact C-N 3.32Å; M21-G23 PolarHBondContact O-N 3.18Å; M21-H24 WeakPolarHBondContact O-CB 3.49Å; M21-H24 PolarHBondContact O-N 3.32Å; M21-L25 HydrophobicContact CG-CD1 4.11Å; M21-L25 WeakPolarHBondContact O-CD1 3.44Å; M21-L25 PolarHBondContact O-N 2.99Å; M21-T64 HydrophobicContact CE-CG2 3.67Å; M21-W93 HydrophobicContact CE-CH2 4.18Å; M21-W93 HydrophobicContact CE-CZ3 3.75Å; M21-W93 HydrophobicContact SD-CZ3 4.33Å; M21-I94 HydrophobicContact CB-CG2 4Å; M21-I94 HydrophobicContact CG-CG2 4.14Å; M21-I94 HydrophobicContact SD-CB 4.26Å; M21-I94 HydrophobicContact SD-CG1 4.44Å; M21-I94 HydrophobicContact SD-CG2 3.92Å; M21-R97 HydrophobicContact CE-CB 4.36Å; M21-R97 HydrophobicContact CE-CG 4.46Å; M21-R97 HydrophobicContact SD-CB 3.49Å; M21-R97 WeakPolarHBondContact SD-CB 3.28Å; M21-R97 HydrophobicContact SD-CG 4Å; M21-E98 HydrophobicContact CG-CG 4.16Å |
| 22 | I | 93.4 | Very high | 91.8 | Very high | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 177.7 | -70.3 | 178.9 | 0 | 0 | 0 | 111.5 | S18 M19 I20 H24 L25 A26 T64 L65 Y68 | S18-I22 PolarHBondContact O-N 3.32Å; S18-I22 VanDerWaalsContact O-N 3.14Å; M19-I22 PolarHBondContact O-N 3.34Å; I20-I22 PolarHBondContact O-N 2.87Å; I22-H24 VanDerWaalsContact C-N 3.3Å; I22-H24 PolarHBondContact O-N 3.41Å; I22-L25 PolarHBondContact O-N 3.29Å; I22-A26 WeakPolarHBondContact O-CB 3.37Å; I22-A26 PolarHBondContact O-N 2.89Å; I22-T64 HydrophobicContact CG1-CG2 4.35Å; I22-L65 HydrophobicContact CD1-CD2 4.29Å; I22-L65 HydrophobicContact CG2-CD2 3.91Å; I22-Y68 HydrophobicContact CD1-CD1 3.27Å; I22-Y68 HydrophobicContact CD1-CD2 3.41Å; I22-Y68 VanDerWaalsContact CD1-CD2 3.41Å; I22-Y68 HydrophobicContact CD1-CE1 3.3Å; I22-Y68 HydrophobicContact CD1-CE2 3.44Å; I22-Y68 VanDerWaalsContact CD1-CE2 3.44Å; I22-Y68 HydrophobicContact CD1-CG 3.29Å; I22-Y68 HydrophobicContact CG1-CD2 4.49Å; I22-Y68 HydrophobicContact CG1-CE2 4.44Å |
| 23 | G | 92.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 52.3 Ų | 52.3 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.4 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M19 I20 M21 A26 F27 | M19-G23 PolarHBondContact O-N 2.99Å; I20-G23 PolarHBondContact O-N 3.25Å; M21-G23 VanDerWaalsContact C-N 3.32Å; M21-G23 PolarHBondContact O-N 3.18Å; G23-A26 PolarHBondContact O-N 2.87Å; G23-F27 WeakPolarHBondContact O-CB 3.35Å; G23-F27 PolarHBondContact O-N 3.36Å |
| 24 | H | 92 | Very high | 91.4 | Very high | 79 Ų | 79 | 55.1 Ų | 55.1 | 37% | 0.366 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 176 | 174.6 | -124.3 | 0 | 0 | 0 | 112.7 | I20 M21 I22 F27 K28 E98 | I20-H24 WeakPolarHBondContact O-CB 3.28Å; I20-H24 PolarHBondContact O-N 3.43Å; M21-H24 WeakPolarHBondContact O-CB 3.49Å; M21-H24 PolarHBondContact O-N 3.32Å; I22-H24 VanDerWaalsContact C-N 3.3Å; I22-H24 PolarHBondContact O-N 3.41Å; H24-F27 PolarHBondContact O-N 3.18Å; H24-K28 WeakPolarHBondContact CE1-CE 3.36Å; H24-K28 PolarHBondContact CE1-NZ 3.24Å; H24-K28 WeakPolarHBondContact NE2-CE 3.46Å; H24-K28 PolarHBondContact O-N 3.29Å; H24-E98 IonicContact CE1-OE1 3.25Å; H24-E98 IonicContact CE1-OE2 2.68Å; H24-E98 PolarHBondContact CE1-OE2 2.97Å; H24-E98 VanDerWaalsContact CE1-OE2 3.25Å; H24-E98 IonicContact CG-OE1 3.63Å; H24-E98 IonicContact ND1-OE1 2.87Å; H24-E98 PolarHBondContact ND1-OE1 2.81Å; H24-E98 IonicContact ND1-OE2 3.42Å; H24-E98 PolarHBondContact ND1-OE2 3.03Å; H24-E98 VanDerWaalsContact ND1-OE2 3.09Å |
| 25 | L | 89.9 | Confident | 91.1 | Very high | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 174.3 | -86.2 | 68.5 | 0 | 0 | 0 | 111.6 | M21 I22 F27 K28 V29 H61 T64 E98 A101 | M21-L25 HydrophobicContact CG-CD1 4.11Å; M21-L25 WeakPolarHBondContact O-CD1 3.44Å; M21-L25 PolarHBondContact O-N 2.99Å; I22-L25 PolarHBondContact O-N 3.29Å; L25-F27 VanDerWaalsContact C-N 3.34Å; L25-F27 PolarHBondContact O-N 3.14Å; L25-K28 WeakPolarHBondContact O-CB 3.46Å; L25-K28 PolarHBondContact O-N 3Å; L25-V29 WeakPolarHBondContact O-CG2 3.3Å; L25-V29 PolarHBondContact O-N 3.37Å; L25-H61 HydrophobicContact CB-CB 4.39Å; L25-H61 WeakPolarHBondContact CB-ND1 3.37Å; L25-T64 HydrophobicContact CD2-CG2 4.31Å; L25-T64 WeakPolarHBondContact CD2-OG1 3.49Å; L25-E98 WeakPolarHBondContact CD1-OE1 3.26Å; L25-A101 HydrophobicContact CD1-CB 4.39Å; L25-A101 HydrophobicContact CD2-CB 4.07Å; L25-A101 HydrophobicContact CG-CB 4.1Å |
| 26 | A | 91.7 | Very high | 90.8 | Very high | 42 Ų | 42 | 62.4 Ų | 62.4 | 35% | 0.347 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I22 G23 V29 G30 | I22-A26 WeakPolarHBondContact O-CB 3.37Å; I22-A26 PolarHBondContact O-N 2.89Å; G23-A26 PolarHBondContact O-N 2.87Å; A26-V29 WeakPolarHBondContact O-CB 3.27Å; A26-V29 PolarHBondContact O-N 3.03Å; A26-G30 PolarHBondContact O-N 3.31Å |
| 27 | F | 92.3 | Very high | 90.4 | Very high | 147 Ų | 147 | 65.7 Ų | 65.7 | 65% | 0.645 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.5 | -41.7 | 175.1 | -176.4 | -98.7 | 0 | 0 | 0 | 112.2 | G23 H24 L25 V29 G30 K31 | G23-F27 WeakPolarHBondContact O-CB 3.35Å; G23-F27 PolarHBondContact O-N 3.36Å; H24-F27 PolarHBondContact O-N 3.18Å; L25-F27 VanDerWaalsContact C-N 3.34Å; L25-F27 PolarHBondContact O-N 3.14Å; F27-V29 VanDerWaalsContact C-N 3.34Å; F27-V29 PolarHBondContact O-N 3.02Å; F27-G30 PolarHBondContact O-N 3.25Å; F27-K31 PolarHBondContact O-N 3.35Å |
| 28 | K | 89.8 | Confident | 90 | Very high | 54 Ų | 54 | 64.2 Ų | 64.2 | 24% | 0.235 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 173.6 | -78.6 | 175.7 | 174.2 | 165.4 | 0 | 111.8 | H24 L25 K31 A32 E98 | H24-K28 WeakPolarHBondContact CE1-CE 3.36Å; H24-K28 PolarHBondContact CE1-NZ 3.24Å; H24-K28 WeakPolarHBondContact NE2-CE 3.46Å; H24-K28 PolarHBondContact O-N 3.29Å; L25-K28 WeakPolarHBondContact O-CB 3.46Å; L25-K28 PolarHBondContact O-N 3Å; K28-K31 PolarHBondContact O-N 2.91Å; K28-A32 WeakPolarHBondContact O-CB 3.45Å; K28-A32 PolarHBondContact O-N 3.3Å; K28-E98 IonicContact NZ-OE2 3.41Å; K28-E98 PolarHBondContact NZ-OE2 3.25Å; K28-E98 VanDerWaalsContact NZ-OE2 3.15Å |
| 29 | V | 90.1 | Very high | 89.6 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 6% | 0.055 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60 | -47.2 | 173.6 | 166.4 | 0 | 0 | 0 | 0 | 110.8 | L25 A26 F27 K31 A32 R33 I57 H61 | L25-V29 WeakPolarHBondContact O-CG2 3.3Å; L25-V29 PolarHBondContact O-N 3.37Å; A26-V29 WeakPolarHBondContact O-CB 3.27Å; A26-V29 PolarHBondContact O-N 3.03Å; F27-V29 VanDerWaalsContact C-N 3.34Å; F27-V29 PolarHBondContact O-N 3.02Å; V29-K31 PolarHBondContact O-N 3.47Å; V29-A32 PolarHBondContact O-N 2.98Å; V29-A32 VanDerWaalsContact O-N 3.17Å; V29-R33 HydrophobicContact CG1-CG 4.46Å; V29-R33 WeakPolarHBondContact O-CG 3.39Å; V29-R33 PolarHBondContact O-N 3.5Å; V29-I57 HydrophobicContact CG2-CG2 3.92Å; V29-H61 HydrophobicContact CG2-CB 3.73Å |
| 30 | G | 89.1 | Confident | 89 | Confident | 26 Ų | 26 | 74.1 Ų | 74.1 | 27% | 0.268 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | A26 F27 R33 K34 | A26-G30 PolarHBondContact O-N 3.31Å; F27-G30 PolarHBondContact O-N 3.25Å; G30-R33 PolarHBondContact O-N 3.45Å; G30-K34 PolarHBondContact O-N 2.9Å |
| 31 | K | 89.6 | Confident | 88.7 | Confident | 146 Ų | 146 | 74.6 Ų | 74.6 | 64% | 0.635 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.4 | -41.4 | 173.8 | -172 | 177.7 | -179.1 | 177.9 | 0 | 111.5 | F27 K28 V29 K34 K35 | F27-K31 PolarHBondContact O-N 3.35Å; K28-K31 PolarHBondContact O-N 2.91Å; V29-K31 PolarHBondContact O-N 3.47Å; K31-K34 PolarHBondContact O-N 3.25Å; K31-K35 WeakPolarHBondContact O-CB 3.36Å; K31-K35 PolarHBondContact O-N 3.33Å |
| 32 | A | 87.3 | Confident | 88.4 | Confident | 6 Ų | 6 | 78.7 Ų | 78.7 | 5% | 0.05 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K28 V29 K34 K35 Y36 F54 I57 | K28-A32 WeakPolarHBondContact O-CB 3.45Å; K28-A32 PolarHBondContact O-N 3.3Å; V29-A32 PolarHBondContact O-N 2.98Å; V29-A32 VanDerWaalsContact O-N 3.17Å; A32-K34 VanDerWaalsContact C-N 3.32Å; A32-K34 PolarHBondContact O-N 3.09Å; A32-K35 PolarHBondContact O-N 3.15Å; A32-K35 VanDerWaalsContact O-N 3.14Å; A32-Y36 HydrophobicContact CB-CD2 4.17Å; A32-Y36 HydrophobicContact CB-CE2 4.22Å; A32-Y36 WeakPolarHBondContact O-CD2 3.24Å; A32-Y36 PolarHBondContact O-N 3.12Å; A32-F54 HydrophobicContact CB-CD2 3.88Å; A32-F54 HydrophobicContact CB-CE2 4.29Å; A32-I57 HydrophobicContact CB-CD1 3.95Å; A32-I57 HydrophobicContact CB-CG2 4.39Å |
| 33 | R | 88.6 | Confident | 87.9 | Confident | 28 Ų | 28 | 82 Ų | 82 | 11% | 0.106 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -56.3 | -46.1 | 174.5 | -74.5 | -179.3 | -173.3 | -82.8 | -11 | 111.9 | V29 G30 N37 V38 K42 F54 Q58 | V29-R33 HydrophobicContact CG1-CG 4.46Å; V29-R33 WeakPolarHBondContact O-CG 3.39Å; V29-R33 PolarHBondContact O-N 3.5Å; G30-R33 PolarHBondContact O-N 3.45Å; R33-N37 PolarHBondContact O-N 3.15Å; R33-V38 PolarHBondContact O-N 3.04Å; R33-V38 VanDerWaalsContact O-N 3.08Å; R33-K42 PolarHBondContact NH1-O 3.06Å; R33-F54 HydrophobicContact CB-CE2 4.31Å; R33-F54 HydrophobicContact CG-CE2 3.48Å; R33-F54 VanDerWaalsContact CG-CE2 3.48Å; R33-F54 HydrophobicContact CG-CZ 3.69Å; R33-Q58 VanDerWaalsContact NH2-CD 3.29Å; R33-Q58 VanDerWaalsContact NH2-OE1 3.13Å |
| 34 | K | 87.1 | Confident | 87.5 | Confident | 175 Ų | 175 | 84.5 Ų | 84.5 | 76% | 0.761 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.6 | -41.8 | 175.8 | -69.2 | -175.1 | 178.8 | -175.4 | 0 | 112.1 | G30 K31 A32 | G30-K34 PolarHBondContact O-N 2.9Å; K31-K34 PolarHBondContact O-N 3.25Å; A32-K34 VanDerWaalsContact C-N 3.32Å; A32-K34 PolarHBondContact O-N 3.09Å |
| 35 | K | 87.1 | Confident | 87.2 | Confident | 148 Ų | 148 | 80.9 Ų | 80.9 | 64% | 0.643 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.3 | -38.8 | -179.2 | -173.6 | 179.4 | 178.7 | -173.3 | 0 | 112.8 | K31 A32 | K31-K35 WeakPolarHBondContact O-CB 3.36Å; K31-K35 PolarHBondContact O-N 3.33Å; A32-K35 PolarHBondContact O-N 3.15Å; A32-K35 VanDerWaalsContact O-N 3.14Å |
| 36 | Y | 85 | Confident | 86.9 | Confident | 29 Ų | 29 | 86.6 Ų | 86.6 | 11% | 0.114 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 13.4 | -176 | -58.8 | -65.8 | 0 | 0 | 0 | 113.1 | A32 V38 H50 I53 F54 | A32-Y36 HydrophobicContact CB-CD2 4.17Å; A32-Y36 HydrophobicContact CB-CE2 4.22Å; A32-Y36 WeakPolarHBondContact O-CD2 3.24Å; A32-Y36 PolarHBondContact O-N 3.12Å; Y36-V38 PolarHBondContact O-N 3.49Å; Y36-V38 VanDerWaalsContact O-N 3.1Å; Y36-H50 HydrophobicContact CD1-CB 3.73Å; Y36-H50 HydrophobicContact CE1-CB 3.65Å; Y36-I53 WeakPolarHBondContact OH-CG2 3.19Å; Y36-F54 HydrophobicContact CD2-CB 3.7Å; Y36-F54 HydrophobicContact CD2-CD2 4.08Å; Y36-F54 HydrophobicContact CD2-CG 4.29Å; Y36-F54 HydrophobicContact CE2-CB 4.21Å; Y36-F54 HydrophobicContact CG-CB 4.2Å |
| 37 | N | 85.6 | Confident | 86.4 | Confident | 140 Ų | 140 | 88.7 Ų | 88.7 | 75% | 0.749 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 38.7 | 179 | -69.6 | -57.1 | 0 | 0 | 0 | 114.9 | R33 L39 | R33-N37 PolarHBondContact O-N 3.15Å; N37-L39 PolarHBondContact O-N 3.45Å |
| 38 | V | 85.1 | Confident | 85.4 | Confident | 11 Ų | 11 | 87.9 Ų | 87.9 | 7% | 0.067 | 44% | 0.437 | C | S | . | . | trans | -83.6 | 98 | 178.2 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | R33 Y36 K42 F54 | R33-V38 PolarHBondContact O-N 3.04Å; R33-V38 VanDerWaalsContact O-N 3.08Å; Y36-V38 PolarHBondContact O-N 3.49Å; Y36-V38 VanDerWaalsContact O-N 3.1Å; V38-K42 HydrophobicContact CG1-CB 3.99Å; V38-K42 HydrophobicContact CG1-CG 4.2Å; V38-K42 WeakPolarHBondContact CG1-O 3.49Å; V38-F54 HydrophobicContact CB-CE1 4.17Å; V38-F54 HydrophobicContact CB-CZ 4.12Å; V38-F54 HydrophobicContact CG1-CE1 3.87Å; V38-F54 HydrophobicContact CG1-CZ 4.07Å; V38-F54 HydrophobicContact CG2-CD1 3.88Å; V38-F54 HydrophobicContact CG2-CD2 4.38Å; V38-F54 HydrophobicContact CG2-CE1 3.86Å; V38-F54 HydrophobicContact CG2-CE2 4.39Å; V38-F54 HydrophobicContact CG2-CG 4.13Å; V38-F54 HydrophobicContact CG2-CZ 4.13Å | ||
| 39 | L | 84.3 | Confident | 84.7 | Confident | 145 Ų | 145 | 92.4 Ų | 92.4 | 76% | 0.759 | 46% | 0.46 | S | S | * | . | trans | -64.7 | 143 | 177.2 | -73.7 | 156.5 | 0 | 0 | 0 | 111.7 | N37 K42 | N37-L39 PolarHBondContact O-N 3.45Å; L39-K42 WeakPolarHBondContact O-CB 3.47Å; L39-K42 PolarHBondContact O-N 3.29Å | ||
| 40 | Y | 81.1 | Confident | 84 | Confident | 179 Ų | 179 | 96.4 Ų | 96.4 | 70% | 0.702 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 142.5 | 167.4 | -63.5 | -77.6 | 0 | 0 | 0 | 109.8 | ||
| 41 | P | 87.5 | Confident | 83.6 | Confident | 128 Ų | 128 | 95.2 Ų | 95.2 | 83% | 0.831 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -92.7 | 14.2 | 7.2 | 37 | -36.2 | 0 | 0 | 0 | 114.6 | M43 | P41-M43 PolarHBondContact O-N 3.26Š|
| 42 | K | 86.4 | Confident | 83.2 | Confident | 93 Ų | 93 | 92.3 Ų | 92.3 | 40% | 0.404 | 45% | 0.454 | S | S | . | . | trans | -64 | 124.9 | -172.4 | -166.9 | 172.7 | -177.5 | 170.3 | 0 | 111.3 | R33 V38 L39 Y44 D46 | R33-K42 PolarHBondContact NH1-O 3.06Å; V38-K42 HydrophobicContact CG1-CB 3.99Å; V38-K42 HydrophobicContact CG1-CG 4.2Å; V38-K42 WeakPolarHBondContact CG1-O 3.49Å; L39-K42 WeakPolarHBondContact O-CB 3.47Å; L39-K42 PolarHBondContact O-N 3.29Å; K42-Y44 WeakPolarHBondContact CE-O 3.5Å; K42-Y44 WeakPolarHBondContact CG-O 3.18Å; K42-D46 WeakPolarHBondContact CE-OD2 3.42Å; K42-D46 IonicContact NZ-OD2 3.09Å; K42-D46 PolarHBondContact NZ-OD2 3.48Å | ||
| 43 | M | 83.6 | Confident | 83.1 | Confident | 93 Ų | 93 | 93.8 Ų | 93.8 | 46% | 0.458 | 46% | 0.46 | S | S | . | . | trans | -91.1 | -35.2 | -174.1 | -169.3 | 165.8 | -72.7 | 0 | 0 | 113.2 | P41 F54 Q58 Q62 | P41-M43 PolarHBondContact O-N 3.26Å; M43-F54 VanDerWaalsContact O-CE1 3.3Å; M43-F54 WeakPolarHBondContact O-CE1 3.46Å; M43-Q58 HydrophobicContact CG-CG 4.37Å; M43-Q62 PolarHBondContact SD-NE2 3.46Å | ||
| 44 | Y | 85.3 | Confident | 83.1 | Confident | 91 Ų | 91 | 92.5 Ų | 92.5 | 36% | 0.357 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -124.3 | 145.8 | 179.2 | -65.1 | -69.6 | 0 | 0 | 0 | 109.5 | K42 N55 Q58 Q62 | K42-Y44 WeakPolarHBondContact CE-O 3.5Å; K42-Y44 WeakPolarHBondContact CG-O 3.18Å; Y44-N55 WeakPolarHBondContact CA-OD1 3.48Å; Y44-N55 WeakPolarHBondContact CB-OD1 3.39Å; Y44-N55 HydrophobicContact CD1-CB 3.86Å; Y44-N55 WeakPolarHBondContact CD1-OD1 3.37Å; Y44-N55 HydrophobicContact CE1-CB 4.47Å; Y44-Q58 HydrophobicContact CE1-CG 4.27Å; Y44-Q62 PolarHBondContact OH-OE1 2.96Å; Y44-Q62 VanDerWaalsContact OH-OE1 3.06Å |
| 45 | S | 85.3 | Confident | 83.2 | Confident | 4 Ų | 4 | 86.1 Ų | 86.1 | 3% | 0.028 | 43% | 0.43 | C | S | . | . | trans | -89.5 | 141.3 | 171.6 | 164.4 | 0 | 0 | 0 | 0 | 109.6 | D47 G51 N55 | S45-D47 VanDerWaalsContact OG-CB 3.32Å; S45-D47 WeakPolarHBondContact OG-CB 3.45Å; S45-D47 VanDerWaalsContact OG-CG 3.28Å; S45-D47 PolarHBondContact OG-N 3.16Å; S45-D47 PolarHBondContact OG-OD2 2.72Å; S45-G51 VanDerWaalsContact OG-CA 3.3Å; S45-G51 WeakPolarHBondContact OG-CA 3.47Å; S45-N55 PolarHBondContact N-OD1 3.35Å; S45-N55 PolarHBondContact O-ND2 3.15Å; S45-N55 PolarHBondContact O-OD1 3.4Å | ||
| 46 | D | 82.8 | Confident | 83.1 | Confident | 125 Ų | 125 | 79.7 Ų | 79.7 | 67% | 0.668 | 40% | 0.404 | S | S | * | . | trans | -97.7 | 7.4 | 174.5 | -52.8 | -56.3 | 0 | 0 | 0 | 111.4 | K42 P48 | K42-D46 WeakPolarHBondContact CE-OD2 3.42Å; K42-D46 IonicContact NZ-OD2 3.09Å; K42-D46 PolarHBondContact NZ-OD2 3.48Å; D46-P48 WeakPolarHBondContact O-CD 3.34Å | ||
| 47 | D | 81.6 | Confident | 83.3 | Confident | 86 Ų | 86 | 79.4 Ų | 79.4 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | trans | -66.6 | 124.7 | -176.8 | -66.6 | -52.9 | 0 | 0 | 0 | 110.5 | S45 E49 G51 | S45-D47 VanDerWaalsContact OG-CB 3.32Å; S45-D47 WeakPolarHBondContact OG-CB 3.45Å; S45-D47 VanDerWaalsContact OG-CG 3.28Å; S45-D47 PolarHBondContact OG-N 3.16Å; S45-D47 PolarHBondContact OG-OD2 2.72Å; D47-E49 PolarHBondContact O-N 3.15Å; D47-G51 VanDerWaalsContact O-CA 3.28Å; D47-G51 WeakPolarHBondContact O-CA 3.37Å; D47-G51 PolarHBondContact O-N 2.86Å | ||
| 48 | P | 72.4 | Confident | 83.5 | Confident | 129 Ų | 129 | 73.3 Ų | 73.3 | 84% | 0.838 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -36.7 | -172.9 | -11.7 | 16.1 | 0 | 0 | 0 | 113.8 | D46 | D46-P48 WeakPolarHBondContact O-CD 3.34Š|
| 49 | E | 73.7 | Confident | 83.7 | Confident | 150 Ų | 150 | 76.4 Ų | 76.4 | 70% | 0.701 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -43.6 | -175.9 | -71.8 | -165.8 | 141.1 | 0 | 0 | 113 | D47 H52 | D47-E49 PolarHBondContact O-N 3.15Å; E49-H52 PolarHBondContact O-CE1 2.68Å; E49-H52 VanDerWaalsContact O-CE1 3.28Å; E49-H52 PolarHBondContact O-ND1 3.09Å |
| 50 | H | 76.1 | Confident | 83.9 | Confident | 92 Ų | 92 | 69.6 Ų | 69.6 | 43% | 0.426 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -13.7 | -164.8 | -67.2 | 83.6 | 0 | 0 | 0 | 113.7 | Y36 H52 I53 | Y36-H50 HydrophobicContact CD1-CB 3.73Å; Y36-H50 HydrophobicContact CE1-CB 3.65Å; H50-H52 VanDerWaalsContact C-N 3.28Å; H50-H52 PolarHBondContact O-N 3.48Å; H50-I53 PolarHBondContact O-N 3.45Å |
| 51 | G | 79.5 | Confident | 84.4 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.4 | -33.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S45 D47 I53 F54 N55 | S45-G51 VanDerWaalsContact OG-CA 3.3Å; S45-G51 WeakPolarHBondContact OG-CA 3.47Å; D47-G51 VanDerWaalsContact O-CA 3.28Å; D47-G51 WeakPolarHBondContact O-CA 3.37Å; D47-G51 PolarHBondContact O-N 2.86Å; G51-I53 VanDerWaalsContact C-N 3.31Å; G51-I53 PolarHBondContact O-N 3.48Å; G51-F54 PolarHBondContact O-N 3.43Å; G51-N55 WeakPolarHBondContact O-CB 3.38Å; G51-N55 PolarHBondContact O-N 3.47Å; G51-N55 PolarHBondContact O-ND2 3.29Å; G51-N55 PolarHBondContact O-OD1 3.38Å |
| 52 | H | 83 | Confident | 84.6 | Confident | 86 Ų | 86 | 58 Ų | 58 | 40% | 0.398 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.7 | -37.2 | 178 | 79 | -86 | 0 | 0 | 0 | 112.8 | E49 H50 N55 C56 | E49-H52 PolarHBondContact O-CE1 2.68Å; E49-H52 VanDerWaalsContact O-CE1 3.28Å; E49-H52 PolarHBondContact O-ND1 3.09Å; H50-H52 VanDerWaalsContact C-N 3.28Å; H50-H52 PolarHBondContact O-N 3.48Å; H52-N55 PolarHBondContact O-N 3.48Å; H52-C56 VanDerWaalsContact O-CB 3.3Å; H52-C56 WeakPolarHBondContact O-CB 3.44Å; H52-C56 PolarHBondContact O-N 3.06Å; H52-C56 PolarHBondContact O-SG 3.24Å |
| 53 | I | 85.1 | Confident | 84.9 | Confident | 37 Ų | 37 | 55 Ų | 55 | 19% | 0.19 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.1 | -44.2 | 178.8 | -55.4 | 178.6 | 0 | 0 | 0 | 110.1 | Y36 H50 G51 C56 I57 | Y36-I53 WeakPolarHBondContact OH-CG2 3.19Å; H50-I53 PolarHBondContact O-N 3.45Å; G51-I53 VanDerWaalsContact C-N 3.31Å; G51-I53 PolarHBondContact O-N 3.48Å; I53-C56 WeakPolarHBondContact O-CB 3.27Å; I53-C56 PolarHBondContact O-N 3.14Å; I53-I57 HydrophobicContact CG2-CD1 4.12Å; I53-I57 WeakPolarHBondContact O-CG1 3.08Å; I53-I57 PolarHBondContact O-N 3.04Å |
| 54 | F | 87.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -47.8 | 175.5 | 175.3 | -104 | 0 | 0 | 0 | 111.6 | A32 R33 Y36 V38 M43 G51 C56 I57 Q58 | A32-F54 HydrophobicContact CB-CD2 3.88Å; A32-F54 HydrophobicContact CB-CE2 4.29Å; R33-F54 HydrophobicContact CB-CE2 4.31Å; R33-F54 HydrophobicContact CG-CE2 3.48Å; R33-F54 VanDerWaalsContact CG-CE2 3.48Å; R33-F54 HydrophobicContact CG-CZ 3.69Å; Y36-F54 HydrophobicContact CD2-CB 3.7Å; Y36-F54 HydrophobicContact CD2-CD2 4.08Å; Y36-F54 HydrophobicContact CD2-CG 4.29Å; Y36-F54 HydrophobicContact CE2-CB 4.21Å; Y36-F54 HydrophobicContact CG-CB 4.2Å; V38-F54 HydrophobicContact CB-CE1 4.17Å; V38-F54 HydrophobicContact CB-CZ 4.12Å; V38-F54 HydrophobicContact CG1-CE1 3.87Å; V38-F54 HydrophobicContact CG1-CZ 4.07Å; V38-F54 HydrophobicContact CG2-CD1 3.88Å; V38-F54 HydrophobicContact CG2-CD2 4.38Å; V38-F54 HydrophobicContact CG2-CE1 3.86Å; V38-F54 HydrophobicContact CG2-CE2 4.39Å; V38-F54 HydrophobicContact CG2-CG 4.13Å; V38-F54 HydrophobicContact CG2-CZ 4.13Å; M43-F54 VanDerWaalsContact O-CE1 3.3Å; M43-F54 WeakPolarHBondContact O-CE1 3.46Å; G51-F54 PolarHBondContact O-N 3.43Å; F54-C56 PolarHBondContact O-N 3.01Å; F54-I57 PolarHBondContact O-N 3.25Å; F54-I57 VanDerWaalsContact O-N 3.14Å; F54-Q58 WeakPolarHBondContact O-CB 3.46Å; F54-Q58 PolarHBondContact O-N 3.33Å |
| 55 | N | 88.9 | Confident | 85.6 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 22% | 0.219 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -37.4 | 178.8 | -65.2 | -11 | 0 | 0 | 0 | 111.2 | Y44 S45 G51 H52 R59 | Y44-N55 WeakPolarHBondContact CA-OD1 3.48Å; Y44-N55 WeakPolarHBondContact CB-OD1 3.39Å; Y44-N55 HydrophobicContact CD1-CB 3.86Å; Y44-N55 WeakPolarHBondContact CD1-OD1 3.37Å; Y44-N55 HydrophobicContact CE1-CB 4.47Å; S45-N55 PolarHBondContact N-OD1 3.35Å; S45-N55 PolarHBondContact O-ND2 3.15Å; S45-N55 PolarHBondContact O-OD1 3.4Å; G51-N55 WeakPolarHBondContact O-CB 3.38Å; G51-N55 PolarHBondContact O-N 3.47Å; G51-N55 PolarHBondContact O-ND2 3.29Å; G51-N55 PolarHBondContact O-OD1 3.38Å; H52-N55 PolarHBondContact O-N 3.48Å; N55-R59 VanDerWaalsContact O-CB 3.27Å; N55-R59 WeakPolarHBondContact O-CB 3.34Å; N55-R59 PolarHBondContact O-N 3.02Å |
| 56 | C | 86.5 | Confident | 85.9 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 10% | 0.095 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -50.3 | 174 | -79.9 | 0 | 0 | 0 | 0 | 112.5 | H52 I53 F54 Q58 R59 A60 Y104 | H52-C56 VanDerWaalsContact O-CB 3.3Å; H52-C56 WeakPolarHBondContact O-CB 3.44Å; H52-C56 PolarHBondContact O-N 3.06Å; H52-C56 PolarHBondContact O-SG 3.24Å; I53-C56 WeakPolarHBondContact O-CB 3.27Å; I53-C56 PolarHBondContact O-N 3.14Å; F54-C56 PolarHBondContact O-N 3.01Å; C56-Q58 PolarHBondContact O-N 3.02Å; C56-R59 PolarHBondContact O-N 3.22Å; C56-A60 WeakPolarHBondContact O-CB 3.42Å; C56-A60 PolarHBondContact O-N 3.28Å; C56-Y104 HydrophobicContact CB-CD1 3.52Å; C56-Y104 HydrophobicContact CB-CE1 3.76Å; C56-Y104 WeakPolarHBondContact CB-O 3.34Å; C56-Y104 WeakPolarHBondContact O-CD1 3.38Å |
| 57 | I | 87.8 | Confident | 86.3 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 178.5 | -65 | 166.4 | 0 | 0 | 0 | 110.9 | V29 A32 I53 F54 A60 H61 | V29-I57 HydrophobicContact CG2-CG2 3.92Å; A32-I57 HydrophobicContact CB-CD1 3.95Å; A32-I57 HydrophobicContact CB-CG2 4.39Å; I53-I57 HydrophobicContact CG2-CD1 4.12Å; I53-I57 WeakPolarHBondContact O-CG1 3.08Å; I53-I57 PolarHBondContact O-N 3.04Å; F54-I57 PolarHBondContact O-N 3.25Å; F54-I57 VanDerWaalsContact O-N 3.14Å; I57-A60 PolarHBondContact O-N 3.48Å; I57-H61 PolarHBondContact O-N 2.91Å |
| 58 | Q | 89.5 | Confident | 86.8 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.3 | -46.5 | 177.9 | -179.9 | 69.6 | 0.9 | 0 | 0 | 111.5 | R33 M43 Y44 F54 C56 A60 H61 Q62 | R33-Q58 VanDerWaalsContact NH2-CD 3.29Å; R33-Q58 VanDerWaalsContact NH2-OE1 3.13Å; M43-Q58 HydrophobicContact CG-CG 4.37Å; Y44-Q58 HydrophobicContact CE1-CG 4.27Å; F54-Q58 WeakPolarHBondContact O-CB 3.46Å; F54-Q58 PolarHBondContact O-N 3.33Å; C56-Q58 PolarHBondContact O-N 3.02Å; Q58-A60 VanDerWaalsContact C-N 3.33Å; Q58-A60 PolarHBondContact O-N 2.76Å; Q58-H61 PolarHBondContact O-N 3.06Å; Q58-Q62 WeakPolarHBondContact O-CG 3.47Å; Q58-Q62 PolarHBondContact O-N 2.87Å |
| 59 | R | 90.1 | Very high | 87.8 | Confident | 76 Ų | 76 | 45.6 Ų | 45.6 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65 | -37.9 | 179.1 | -176.6 | 66.3 | -162.6 | 117.3 | -2 | 111.9 | N55 C56 H61 Q62 N63 E66 | N55-R59 VanDerWaalsContact O-CB 3.27Å; N55-R59 WeakPolarHBondContact O-CB 3.34Å; N55-R59 PolarHBondContact O-N 3.02Å; C56-R59 PolarHBondContact O-N 3.22Å; R59-H61 VanDerWaalsContact C-N 3.33Å; R59-H61 PolarHBondContact O-N 3.42Å; R59-Q62 PolarHBondContact O-N 3.47Å; R59-N63 WeakPolarHBondContact O-CB 3.05Å; R59-N63 PolarHBondContact O-N 2.9Å; R59-E66 IonicContact CZ-OE1 3.73Å; R59-E66 IonicContact CZ-OE2 3.26Å; R59-E66 IonicContact NH1-OE1 3.83Å; R59-E66 PolarHBondContact NH1-OE1 2.9Å; R59-E66 IonicContact NH1-OE2 2.8Å; R59-E66 PolarHBondContact NH1-OE2 3.16Å; R59-E66 IonicContact NH2-OE1 2.83Å; R59-E66 PolarHBondContact NH2-OE1 2.97Å; R59-E66 IonicContact NH2-OE2 2.73Å; R59-E66 PolarHBondContact NH2-OE2 3.32Å |
| 60 | A | 88.8 | Confident | 88.7 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | C56 I57 Q58 T64 Y100 Y104 | C56-A60 WeakPolarHBondContact O-CB 3.42Å; C56-A60 PolarHBondContact O-N 3.28Å; I57-A60 PolarHBondContact O-N 3.48Å; Q58-A60 VanDerWaalsContact C-N 3.33Å; Q58-A60 PolarHBondContact O-N 2.76Å; A60-T64 PolarHBondContact O-N 3.41Å; A60-T64 PolarHBondContact O-OG1 3.37Å; A60-Y100 HydrophobicContact CB-CD1 4.34Å; A60-Y100 HydrophobicContact CB-CE1 4.03Å; A60-Y104 HydrophobicContact CB-CD1 4.24Å; A60-Y104 HydrophobicContact CB-CG 4Å |
| 61 | H | 90.9 | Very high | 89.5 | Confident | 24 Ų | 24 | 36.8 Ų | 36.8 | 11% | 0.111 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.6 | -47.7 | 174.7 | -179.7 | 59.9 | 0 | 0 | 0 | 112.2 | L25 V29 I57 Q58 R59 N63 T64 L65 | L25-H61 HydrophobicContact CB-CB 4.39Å; L25-H61 WeakPolarHBondContact CB-ND1 3.37Å; V29-H61 HydrophobicContact CG2-CB 3.73Å; I57-H61 PolarHBondContact O-N 2.91Å; Q58-H61 PolarHBondContact O-N 3.06Å; R59-H61 VanDerWaalsContact C-N 3.33Å; R59-H61 PolarHBondContact O-N 3.42Å; H61-N63 PolarHBondContact O-N 3.45Å; H61-T64 WeakPolarHBondContact O-CA 3.44Å; H61-T64 WeakPolarHBondContact O-CB 3.42Å; H61-T64 PolarHBondContact O-N 3.4Å; H61-L65 PolarHBondContact O-N 3.37Å |
| 62 | Q | 92.1 | Very high | 90.1 | Very high | 38 Ų | 38 | 39.7 Ų | 39.7 | 18% | 0.178 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.3 | -43 | 178.2 | -74.9 | 178.6 | -29.2 | 0 | 0 | 112.7 | M43 Y44 Q58 R59 T64 L65 E66 | M43-Q62 PolarHBondContact SD-NE2 3.46Å; Y44-Q62 PolarHBondContact OH-OE1 2.96Å; Y44-Q62 VanDerWaalsContact OH-OE1 3.06Å; Q58-Q62 WeakPolarHBondContact O-CG 3.47Å; Q58-Q62 PolarHBondContact O-N 2.87Å; R59-Q62 PolarHBondContact O-N 3.47Å; Q62-T64 PolarHBondContact O-N 3.26Å; Q62-L65 WeakPolarHBondContact O-CB 3.3Å; Q62-L65 PolarHBondContact O-N 2.89Å; Q62-E66 WeakPolarHBondContact O-CG 3.34Å; Q62-E66 PolarHBondContact O-N 3.33Å |
| 63 | N | 91.9 | Very high | 90.6 | Very high | 32 Ų | 32 | 41.6 Ų | 41.6 | 17% | 0.171 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -31.3 | 175.8 | -179.9 | -106.8 | 0 | 0 | 0 | 111.8 | R59 H61 E66 V67 R97 | R59-N63 WeakPolarHBondContact O-CB 3.05Å; R59-N63 PolarHBondContact O-N 2.9Å; H61-N63 PolarHBondContact O-N 3.45Å; N63-E66 PolarHBondContact ND2-OE2 3.18Å; N63-V67 WeakPolarHBondContact O-CG2 3.48Å; N63-V67 PolarHBondContact O-N 2.87Å; N63-R97 VanDerWaalsContact C-NH2 3.25Å; N63-R97 PolarHBondContact OD1-NH1 3.25Å; N63-R97 PolarHBondContact OD1-NH2 2.95Å |
| 64 | T | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.4 | -42.5 | 174.1 | -55.9 | 0 | 0 | 0 | 0 | 110 | M21 I22 L25 A60 H61 Q62 E66 V67 Y68 W93 R97 | M21-T64 HydrophobicContact CE-CG2 3.67Å; I22-T64 HydrophobicContact CG1-CG2 4.35Å; L25-T64 HydrophobicContact CD2-CG2 4.31Å; L25-T64 WeakPolarHBondContact CD2-OG1 3.49Å; A60-T64 PolarHBondContact O-N 3.41Å; A60-T64 PolarHBondContact O-OG1 3.37Å; H61-T64 WeakPolarHBondContact O-CA 3.44Å; H61-T64 WeakPolarHBondContact O-CB 3.42Å; H61-T64 PolarHBondContact O-N 3.4Å; Q62-T64 PolarHBondContact O-N 3.26Å; T64-E66 VanDerWaalsContact C-N 3.35Å; T64-E66 PolarHBondContact O-N 2.73Å; T64-V67 PolarHBondContact O-N 2.98Å; T64-Y68 VanDerWaalsContact O-CB 3.27Å; T64-Y68 WeakPolarHBondContact O-CB 3.49Å; T64-Y68 PolarHBondContact O-N 3.44Å; T64-W93 HydrophobicContact CG2-CH2 4.24Å; T64-R97 HydrophobicContact CG2-CG 4.33Å; T64-R97 VanDerWaalsContact OG1-CZ 3.29Å; T64-R97 PolarHBondContact OG1-NE 2.95Å; T64-R97 PolarHBondContact OG1-NH2 3.11Å |
| 65 | L | 93 | Very high | 91.1 | Very high | 75 Ų | 75 | 40.4 Ų | 40.4 | 39% | 0.393 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.1 | -35.1 | 177.4 | -67.2 | 176 | 0 | 0 | 0 | 113 | I22 H61 Q62 V67 Y68 P69 | I22-L65 HydrophobicContact CD1-CD2 4.29Å; I22-L65 HydrophobicContact CG2-CD2 3.91Å; H61-L65 PolarHBondContact O-N 3.37Å; Q62-L65 WeakPolarHBondContact O-CB 3.3Å; Q62-L65 PolarHBondContact O-N 2.89Å; L65-V67 VanDerWaalsContact C-N 3.3Å; L65-V67 PolarHBondContact O-N 3.46Å; L65-Y68 PolarHBondContact O-N 3.23Å; L65-P69 WeakPolarHBondContact O-CD 3.24Å |
| 66 | E | 92.1 | Very high | 91.2 | Very high | 109 Ų | 109 | 40.4 Ų | 40.4 | 51% | 0.509 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.7 | -37.2 | 174.7 | -72.8 | 161.3 | -162.7 | 0 | 0 | 112 | R59 Q62 N63 T64 | R59-E66 IonicContact CZ-OE1 3.73Å; R59-E66 IonicContact CZ-OE2 3.26Å; R59-E66 IonicContact NH1-OE1 3.83Å; R59-E66 PolarHBondContact NH1-OE1 2.9Å; R59-E66 IonicContact NH1-OE2 2.8Å; R59-E66 PolarHBondContact NH1-OE2 3.16Å; R59-E66 IonicContact NH2-OE1 2.83Å; R59-E66 PolarHBondContact NH2-OE1 2.97Å; R59-E66 IonicContact NH2-OE2 2.73Å; R59-E66 PolarHBondContact NH2-OE2 3.32Å; Q62-E66 WeakPolarHBondContact O-CG 3.34Å; Q62-E66 PolarHBondContact O-N 3.33Å; N63-E66 PolarHBondContact ND2-OE2 3.18Å; T64-E66 VanDerWaalsContact C-N 3.35Å; T64-E66 PolarHBondContact O-N 2.73Å |
| 67 | V | 90.9 | Very high | 91.4 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -93.7 | -10.6 | -176.4 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | N63 T64 L65 P70 F71 W93 L122 | N63-V67 WeakPolarHBondContact O-CG2 3.48Å; N63-V67 PolarHBondContact O-N 2.87Å; T64-V67 PolarHBondContact O-N 2.98Å; L65-V67 VanDerWaalsContact C-N 3.3Å; L65-V67 PolarHBondContact O-N 3.46Å; V67-P70 VanDerWaalsContact O-CD 3.28Å; V67-P70 WeakPolarHBondContact O-CD 3.45Å; V67-P70 VanDerWaalsContact O-CG 3.26Å; V67-P70 WeakPolarHBondContact O-CG 3.5Å; V67-F71 VanDerWaalsContact O-CB 3.31Å; V67-F71 WeakPolarHBondContact O-CB 3.14Å; V67-F71 PolarHBondContact O-N 3.36Å; V67-F71 VanDerWaalsContact O-N 3.13Å; V67-W93 HydrophobicContact CB-CZ2 4.33Å; V67-W93 HydrophobicContact CG1-CZ2 3.91Å; V67-L122 HydrophobicContact CG1-CD2 3.46Å; V67-L122 VanDerWaalsContact CG1-CD2 3.46Å |
| 68 | Y | 92.4 | Very high | 91.4 | Very high | 35 Ų | 35 | 41.3 Ų | 41.3 | 14% | 0.137 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.9 | -44.2 | -175.5 | -175 | -122.6 | 0 | 0 | 0 | 114.5 | S18 M19 I22 T64 L65 F71 L72 W93 | S18-Y68 WeakPolarHBondContact OG-CE2 3.5Å; S18-Y68 PolarHBondContact OG-OH 3.05Å; M19-Y68 WeakPolarHBondContact CG-OH 3.45Å; I22-Y68 HydrophobicContact CD1-CD1 3.27Å; I22-Y68 HydrophobicContact CD1-CD2 3.41Å; I22-Y68 VanDerWaalsContact CD1-CD2 3.41Å; I22-Y68 HydrophobicContact CD1-CE1 3.3Å; I22-Y68 HydrophobicContact CD1-CE2 3.44Å; I22-Y68 VanDerWaalsContact CD1-CE2 3.44Å; I22-Y68 HydrophobicContact CD1-CG 3.29Å; I22-Y68 HydrophobicContact CG1-CD2 4.49Å; I22-Y68 HydrophobicContact CG1-CE2 4.44Å; T64-Y68 VanDerWaalsContact O-CB 3.27Å; T64-Y68 WeakPolarHBondContact O-CB 3.49Å; T64-Y68 PolarHBondContact O-N 3.44Å; L65-Y68 PolarHBondContact O-N 3.23Å; Y68-F71 AromaticContact CD2-CD1 3.93Å; Y68-F71 HydrophobicContact CD2-CD1 3.93Å; Y68-F71 HydrophobicContact CE2-CD1 4.09Å; Y68-F71 HydrophobicContact CE2-CE1 4.39Å; Y68-F71 WeakPolarHBondContact O-CB 3.31Å; Y68-F71 PolarHBondContact O-N 3.31Å; Y68-L72 HydrophobicContact CD1-CD1 3.88Å; Y68-L72 HydrophobicContact CD1-CG 4.34Å; Y68-L72 HydrophobicContact CD2-CG 4.15Å; Y68-L72 HydrophobicContact CE1-CD1 3.42Å; Y68-L72 VanDerWaalsContact CE1-CD1 3.42Å; Y68-L72 HydrophobicContact CE1-CD2 4.49Å; Y68-L72 HydrophobicContact CE1-CG 4.03Å; Y68-L72 HydrophobicContact CE2-CD1 4.16Å; Y68-L72 HydrophobicContact CE2-CD2 3.84Å; Y68-L72 HydrophobicContact CE2-CG 3.82Å; Y68-L72 HydrophobicContact CG-CD1 4.44Å; Y68-L72 HydrophobicContact CG-CG 4.42Å; Y68-L72 WeakPolarHBondContact O-CG 3.28Å; Y68-L72 PolarHBondContact O-N 3.29Å; Y68-W93 HydrophobicContact CD2-CH2 4.15Å; Y68-W93 HydrophobicContact CD2-CZ3 4.31Å |
| 69 | P | 93.9 | Very high | 91.3 | Very high | 81 Ų | 81 | 40.7 Ų | 40.7 | 53% | 0.526 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -56.9 | -49.6 | 174.5 | -23.5 | 32 | 0 | 0 | 0 | 114.3 | L65 F71 L72 F73 | L65-P69 WeakPolarHBondContact O-CD 3.24Å; P69-F71 VanDerWaalsContact C-N 3.29Å; P69-F71 PolarHBondContact O-N 3.48Å; P69-L72 PolarHBondContact O-N 2.89Å; P69-F73 PolarHBondContact O-N 2.88Å |
| 70 | P | 91.5 | Very high | 91.1 | Very high | 57 Ų | 57 | 40.7 Ų | 40.7 | 37% | 0.37 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.9 | -33.4 | 177.3 | 23.5 | -31.1 | 0 | 0 | 0 | 112.2 | V67 F73 C74 | V67-P70 VanDerWaalsContact O-CD 3.28Å; V67-P70 WeakPolarHBondContact O-CD 3.45Å; V67-P70 VanDerWaalsContact O-CG 3.26Å; V67-P70 WeakPolarHBondContact O-CG 3.5Å; P70-F73 PolarHBondContact O-N 3.49Å; P70-C74 PolarHBondContact O-N 2.87Å; P70-C74 PolarHBondContact O-SG 3.06Å |
| 71 | F | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -50.4 | 172.3 | 166.8 | -96.7 | 0 | 0 | 0 | 112.1 | V67 Y68 P69 F73 C74 L75 W93 L122 L125 | V67-F71 VanDerWaalsContact O-CB 3.31Å; V67-F71 WeakPolarHBondContact O-CB 3.14Å; V67-F71 PolarHBondContact O-N 3.36Å; V67-F71 VanDerWaalsContact O-N 3.13Å; Y68-F71 AromaticContact CD2-CD1 3.93Å; Y68-F71 HydrophobicContact CD2-CD1 3.93Å; Y68-F71 HydrophobicContact CE2-CD1 4.09Å; Y68-F71 HydrophobicContact CE2-CE1 4.39Å; Y68-F71 WeakPolarHBondContact O-CB 3.31Å; Y68-F71 PolarHBondContact O-N 3.31Å; P69-F71 VanDerWaalsContact C-N 3.29Å; P69-F71 PolarHBondContact O-N 3.48Å; F71-F73 VanDerWaalsContact C-N 3.33Å; F71-F73 PolarHBondContact O-N 2.99Å; F71-C74 PolarHBondContact O-N 2.8Å; F71-L75 HydrophobicContact CE1-CD2 3.97Å; F71-L75 HydrophobicContact CZ-CD2 3.95Å; F71-L75 VanDerWaalsContact O-CB 3.31Å; F71-L75 WeakPolarHBondContact O-CB 3.18Å; F71-L75 PolarHBondContact O-N 3.46Å; F71-W93 HydrophobicContact CB-CH2 4.15Å; F71-W93 HydrophobicContact CB-CZ2 4.11Å; F71-W93 HydrophobicContact CB-CZ3 4.43Å; F71-W93 AromaticContact CD1-CE3 3.98Å; F71-W93 HydrophobicContact CD1-CE3 3.98Å; F71-W93 HydrophobicContact CD1-CH2 4.17Å; F71-W93 AromaticContact CD1-CZ3 3.7Å; F71-W93 HydrophobicContact CD1-CZ3 3.7Å; F71-W93 HydrophobicContact CD2-CB 4.32Å; F71-W93 AromaticContact CD2-CD2 3.47Å; F71-W93 HydrophobicContact CD2-CD2 3.47Å; F71-W93 VanDerWaalsContact CD2-CD2 3.47Å; F71-W93 AromaticContact CD2-CE2 3.93Å; F71-W93 AromaticContact CD2-CE3 3.51Å; F71-W93 HydrophobicContact CD2-CE3 3.51Å; F71-W93 AromaticContact CD2-CG 3.83Å; F71-W93 HydrophobicContact CD2-CG 3.83Å; F71-W93 HydrophobicContact CD2-CH2 4.43Å; F71-W93 HydrophobicContact CD2-CZ2 4.4Å; F71-W93 HydrophobicContact CD2-CZ3 4Å; F71-W93 AromaticContact CE1-CE3 3.91Å; F71-W93 HydrophobicContact CE1-CE3 3.91Å; F71-W93 AromaticContact CE1-CZ3 3.88Å; F71-W93 HydrophobicContact CE1-CZ3 3.88Å; F71-W93 HydrophobicContact CE2-CB 3.87Å; F71-W93 AromaticContact CE2-CD2 3.63Å; F71-W93 HydrophobicContact CE2-CD2 3.63Å; F71-W93 AromaticContact CE2-CE3 3.41Å; F71-W93 HydrophobicContact CE2-CE3 3.41Å; F71-W93 VanDerWaalsContact CE2-CE3 3.41Å; F71-W93 AromaticContact CE2-CG 3.84Å; F71-W93 HydrophobicContact CE2-CG 3.84Å; F71-W93 HydrophobicContact CE2-CZ3 4.15Å; F71-W93 HydrophobicContact CG-CD2 4.01Å; F71-W93 AromaticContact CG-CE3 3.79Å; F71-W93 HydrophobicContact CG-CE3 3.79Å; F71-W93 AromaticContact CG-CH2 3.98Å; F71-W93 HydrophobicContact CG-CH2 3.98Å; F71-W93 HydrophobicContact CG-CZ2 4.2Å; F71-W93 AromaticContact CG-CZ3 3.76Å; F71-W93 HydrophobicContact CG-CZ3 3.76Å; F71-W93 HydrophobicContact CZ-CD2 4.32Å; F71-W93 AromaticContact CZ-CE3 3.62Å; F71-W93 HydrophobicContact CZ-CE3 3.62Å; F71-W93 HydrophobicContact CZ-CZ3 4.1Å; F71-L122 HydrophobicContact CB-CD1 4.09Å; F71-L122 HydrophobicContact CD2-CD1 4.31Å; F71-L125 HydrophobicContact CD2-CD1 3.84Å; F71-L125 HydrophobicContact CE2-CD1 3.71Å |
| 72 | L | 93 | Very high | 90.5 | Very high | 63 Ų | 63 | 44 Ų | 44 | 33% | 0.33 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 179.5 | -75.3 | -179.7 | 0 | 0 | 0 | 112 | Y68 P69 L75 A76 | Y68-L72 HydrophobicContact CD1-CD1 3.88Å; Y68-L72 HydrophobicContact CD1-CG 4.34Å; Y68-L72 HydrophobicContact CD2-CG 4.15Å; Y68-L72 HydrophobicContact CE1-CD1 3.42Å; Y68-L72 VanDerWaalsContact CE1-CD1 3.42Å; Y68-L72 HydrophobicContact CE1-CD2 4.49Å; Y68-L72 HydrophobicContact CE1-CG 4.03Å; Y68-L72 HydrophobicContact CE2-CD1 4.16Å; Y68-L72 HydrophobicContact CE2-CD2 3.84Å; Y68-L72 HydrophobicContact CE2-CG 3.82Å; Y68-L72 HydrophobicContact CG-CD1 4.44Å; Y68-L72 HydrophobicContact CG-CG 4.42Å; Y68-L72 WeakPolarHBondContact O-CG 3.28Å; Y68-L72 PolarHBondContact O-N 3.29Å; P69-L72 PolarHBondContact O-N 2.89Å; L72-L75 PolarHBondContact O-N 3.28Å; L72-A76 VanDerWaalsContact O-CB 3.28Å; L72-A76 WeakPolarHBondContact O-CB 3.5Å; L72-A76 PolarHBondContact O-N 2.63Å |
| 73 | F | 93.1 | Very high | 90.2 | Very high | 125 Ų | 125 | 43.3 Ų | 43.3 | 55% | 0.548 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.2 | -50.3 | 175.8 | 177.7 | -97.6 | 0 | 0 | 0 | 111.2 | P69 P70 F71 L75 A76 I77 T129 | P69-F73 PolarHBondContact O-N 2.88Å; P70-F73 PolarHBondContact O-N 3.49Å; F71-F73 VanDerWaalsContact C-N 3.33Å; F71-F73 PolarHBondContact O-N 2.99Å; F73-L75 PolarHBondContact O-N 3.07Å; F73-A76 PolarHBondContact O-N 2.8Å; F73-I77 HydrophobicContact CD2-CG1 4.02Å; F73-I77 HydrophobicContact CE1-CG1 4.44Å; F73-I77 HydrophobicContact CE2-CG1 3.75Å; F73-I77 HydrophobicContact CG-CG1 4.48Å; F73-I77 HydrophobicContact CZ-CG1 3.98Å; F73-I77 WeakPolarHBondContact O-CB 3.4Å; F73-I77 WeakPolarHBondContact O-CG1 3.31Å; F73-I77 PolarHBondContact O-N 3.44Å; F73-T129 HydrophobicContact CD1-CG2 4.48Å; F73-T129 HydrophobicContact CE1-CG2 3.94Å |
| 74 | C | 91.8 | Very high | 90 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 5% | 0.054 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.3 | -36 | -179.4 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | P70 F71 G78 L125 T129 | P70-C74 PolarHBondContact O-N 2.87Å; P70-C74 PolarHBondContact O-SG 3.06Å; F71-C74 PolarHBondContact O-N 2.8Å; C74-G78 VanDerWaalsContact O-CA 3.28Å; C74-G78 WeakPolarHBondContact O-CA 3.26Å; C74-G78 PolarHBondContact O-N 3.13Å; C74-L125 HydrophobicContact CB-CB 3.88Å; C74-T129 WeakPolarHBondContact CA-OG1 3.28Å; C74-T129 PolarHBondContact O-OG1 3.46Å |
| 75 | L | 91.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.2 | -47.4 | 176 | -179.1 | 67 | 0 | 0 | 0 | 111.1 | V11 T14 F71 L72 F73 G79 A86 | V11-L75 HydrophobicContact CG1-CD1 4.02Å; V11-L75 HydrophobicContact CG1-CG 3.86Å; V11-L75 WeakPolarHBondContact CG1-O 2.99Å; T14-L75 HydrophobicContact CG2-CD1 4.18Å; T14-L75 HydrophobicContact CG2-CD2 4.18Å; F71-L75 HydrophobicContact CE1-CD2 3.97Å; F71-L75 HydrophobicContact CZ-CD2 3.95Å; F71-L75 VanDerWaalsContact O-CB 3.31Å; F71-L75 WeakPolarHBondContact O-CB 3.18Å; F71-L75 PolarHBondContact O-N 3.46Å; L72-L75 PolarHBondContact O-N 3.28Å; F73-L75 PolarHBondContact O-N 3.07Å; L75-G79 WeakPolarHBondContact O-CA 3.38Å; L75-G79 PolarHBondContact O-N 2.66Å; L75-A86 WeakPolarHBondContact CD1-O 3.33Å |
| 76 | A | 91.4 | Very high | 89.7 | Confident | 40 Ų | 40 | 50.4 Ų | 50.4 | 33% | 0.331 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.7 | -48.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y8 L72 F73 L80 | Y8-A76 PolarHBondContact OH-O 3.42Å; L72-A76 VanDerWaalsContact O-CB 3.28Å; L72-A76 WeakPolarHBondContact O-CB 3.5Å; L72-A76 PolarHBondContact O-N 2.63Å; F73-A76 PolarHBondContact O-N 2.8Å; A76-L80 WeakPolarHBondContact O-CG 3.35Å |
| 77 | I | 90.7 | Very high | 89.6 | Confident | 56 Ų | 56 | 46.1 Ų | 46.1 | 29% | 0.287 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -78.8 | -48.4 | -176.2 | -58.5 | -58.9 | 0 | 0 | 0 | 111.5 | F73 G79 L80 T129 Y132 | F73-I77 HydrophobicContact CD2-CG1 4.02Å; F73-I77 HydrophobicContact CE1-CG1 4.44Å; F73-I77 HydrophobicContact CE2-CG1 3.75Å; F73-I77 HydrophobicContact CG-CG1 4.48Å; F73-I77 HydrophobicContact CZ-CG1 3.98Å; F73-I77 WeakPolarHBondContact O-CB 3.4Å; F73-I77 WeakPolarHBondContact O-CG1 3.31Å; F73-I77 PolarHBondContact O-N 3.44Å; I77-G79 PolarHBondContact O-N 3.03Å; I77-L80 HydrophobicContact CD1-CD1 4.4Å; I77-L80 WeakPolarHBondContact O-CB 3.26Å; I77-L80 PolarHBondContact O-N 3.49Å; I77-L80 VanDerWaalsContact O-N 3.07Å; I77-T129 HydrophobicContact CB-CG2 4.08Å; I77-T129 HydrophobicContact CG2-CG2 3.84Å; I77-Y132 HydrophobicContact CG2-CD1 3.75Å; I77-Y132 HydrophobicContact CG2-CE1 4.08Å |
| 78 | G | 86.3 | Confident | 89.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -31 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C74 L80 H81 C82 | C74-G78 VanDerWaalsContact O-CA 3.28Å; C74-G78 WeakPolarHBondContact O-CA 3.26Å; C74-G78 PolarHBondContact O-N 3.13Å; G78-L80 VanDerWaalsContact C-N 3.26Å; G78-L80 PolarHBondContact O-N 2.91Å; G78-H81 PolarHBondContact O-N 3.42Å; G78-C82 PolarHBondContact O-N 3.29Å; G78-C82 VanDerWaalsContact O-N 3.07Å |
| 79 | G | 86.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -20.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y8 L75 I77 H81 P83 | Y8-G79 VanDerWaalsContact CD2-O 3.32Å; Y8-G79 WeakPolarHBondContact CD2-O 3.3Å; Y8-G79 VanDerWaalsContact CE2-C 3.49Å; Y8-G79 WeakPolarHBondContact CE2-O 3.32Å; L75-G79 WeakPolarHBondContact O-CA 3.38Å; L75-G79 PolarHBondContact O-N 2.66Å; I77-G79 PolarHBondContact O-N 3.03Å; G79-H81 VanDerWaalsContact C-N 3.3Å; G79-P83 WeakPolarHBondContact O-CA 3.4Å; G79-P83 WeakPolarHBondContact O-CB 3.45Å; G79-P83 WeakPolarHBondContact O-CD 3.09Å |
| 80 | L | 87.2 | Confident | 89.5 | Confident | 76 Ų | 76 | 43 Ų | 43 | 40% | 0.398 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.8 | -30.5 | 176.2 | -67.1 | 171.6 | 0 | 0 | 0 | 111.9 | L4 Y8 A76 I77 G78 Y132 | L4-L80 HydrophobicContact CD2-CD2 3.73Å; Y8-L80 HydrophobicContact CD2-CD2 4.33Å; Y8-L80 HydrophobicContact CE2-CD2 3.67Å; Y8-L80 HydrophobicContact CE2-CG 4.14Å; A76-L80 WeakPolarHBondContact O-CG 3.35Å; I77-L80 HydrophobicContact CD1-CD1 4.4Å; I77-L80 WeakPolarHBondContact O-CB 3.26Å; I77-L80 PolarHBondContact O-N 3.49Å; I77-L80 VanDerWaalsContact O-N 3.07Å; G78-L80 VanDerWaalsContact C-N 3.26Å; G78-L80 PolarHBondContact O-N 2.91Å; L80-Y132 HydrophobicContact CB-CE1 4.33Å; L80-Y132 HydrophobicContact CD1-CE1 4.35Å |
| 81 | H | 82.4 | Confident | 89.5 | Confident | 66 Ų | 66 | 42.4 Ų | 42.4 | 31% | 0.306 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -92.8 | -48.7 | 179.2 | -167.1 | 50.8 | 0 | 0 | 0 | 112.1 | G78 G79 Y132 | G78-H81 PolarHBondContact O-N 3.42Å; G79-H81 VanDerWaalsContact C-N 3.3Å; H81-Y132 HydrophobicContact CB-CD2 3.49Å; H81-Y132 VanDerWaalsContact CB-CD2 3.49Å; H81-Y132 HydrophobicContact CB-CE2 4.12Å; H81-Y132 HydrophobicContact CB-CG 3.87Å; H81-Y132 AromaticContact CG-CD2 3.71Å; H81-Y132 AromaticContact ND1-CD2 3.91Å |
| 82 | C | 85.2 | Confident | 89.5 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 20% | 0.203 | 25% | 0.25 | C | C | . | . | trans | -129.7 | 73.2 | -175 | -70.2 | 0 | 0 | 0 | 0 | 111 | G78 R84 L85 A86 | G78-C82 PolarHBondContact O-N 3.29Å; G78-C82 VanDerWaalsContact O-N 3.07Å; C82-R84 PolarHBondContact O-N 3.4Å; C82-L85 HydrophobicContact CB-CB 4.18Å; C82-L85 PolarHBondContact O-N 2.9Å; C82-A86 WeakPolarHBondContact O-CB 3.48Å; C82-A86 PolarHBondContact O-N 3.25Å | ||
| 83 | P | 85.6 | Confident | 89.5 | Confident | 22 Ų | 22 | 42.6 Ų | 42.6 | 14% | 0.143 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.4 | -40.8 | -170.9 | 19.3 | -31.2 | 0 | 0 | 0 | 114.1 | E7 V11 G79 S87 | E7-P83 HydrophobicContact CB-CB 4.07Å; E7-P83 HydrophobicContact CB-CG 3.69Å; V11-P83 HydrophobicContact CG2-CB 3.84Å; V11-P83 WeakPolarHBondContact CG2-O 3.25Å; G79-P83 WeakPolarHBondContact O-CA 3.4Å; G79-P83 WeakPolarHBondContact O-CB 3.45Å; G79-P83 WeakPolarHBondContact O-CD 3.09Å; P83-S87 VanDerWaalsContact O-CB 3.27Å; P83-S87 WeakPolarHBondContact O-CB 3.3Å; P83-S87 PolarHBondContact O-N 3.13Å |
| 84 | R | 87.9 | Confident | 89.5 | Confident | 161 Ų | 161 | 37.7 Ų | 37.7 | 61% | 0.608 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -65.5 | -45.5 | 179.2 | -66.2 | 179.5 | -178.2 | 143.4 | 0.9 | 112.3 | E7 C82 G88 | E7-R84 IonicContact OE1-CZ 3.36Å; E7-R84 IonicContact OE1-NE 2.7Å; E7-R84 IonicContact OE1-NH2 3.24Å; E7-R84 PolarHBondContact OE1-NH2 3Å; E7-R84 WeakPolarHBondContact OE2-CG 3.17Å; E7-R84 IonicContact OE2-CZ 3.69Å; E7-R84 IonicContact OE2-NE 3.15Å; E7-R84 PolarHBondContact OE2-NE 3.46Å; E7-R84 IonicContact OE2-NH2 2.72Å; E7-R84 PolarHBondContact OE2-NH2 2.83Å; C82-R84 PolarHBondContact O-N 3.4Å; R84-G88 PolarHBondContact O-N 3.5Å |
| 85 | L | 87.5 | Confident | 89.4 | Confident | 95 Ų | 95 | 41.3 Ų | 41.3 | 50% | 0.497 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.8 | -42.5 | -178.7 | -173.1 | 123.6 | 0 | 0 | 0 | 110.9 | C82 G88 L89 T128 | C82-L85 HydrophobicContact CB-CB 4.18Å; C82-L85 PolarHBondContact O-N 2.9Å; L85-G88 PolarHBondContact O-N 3Å; L85-L89 HydrophobicContact CD2-CD1 3.69Å; L85-L89 HydrophobicContact CG-CD1 4.17Å; L85-L89 WeakPolarHBondContact O-CB 3.37Å; L85-L89 WeakPolarHBondContact O-CG 3.21Å; L85-L89 PolarHBondContact O-N 3.03Å; L85-T128 HydrophobicContact CD2-CG2 3.25Å |
| 86 | A | 89.7 | Confident | 89.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | L75 C82 G90 L125 | L75-A86 WeakPolarHBondContact CD1-O 3.33Å; C82-A86 WeakPolarHBondContact O-CB 3.48Å; C82-A86 PolarHBondContact O-N 3.25Å; A86-G90 PolarHBondContact O-N 3.32Å; A86-L125 HydrophobicContact CB-CD2 4.05Å |
| 87 | S | 90.4 | Very high | 89.2 | Confident | 19 Ų | 19 | 39.7 Ų | 39.7 | 13% | 0.133 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 112.2 | Y10 T14 P83 G90 A91 | Y10-S87 PolarHBondContact O-OG 3.06Å; T14-S87 PolarHBondContact OG1-OG 2.92Å; P83-S87 VanDerWaalsContact O-CB 3.27Å; P83-S87 WeakPolarHBondContact O-CB 3.3Å; P83-S87 PolarHBondContact O-N 3.13Å; S87-G90 PolarHBondContact O-N 3.15Å; S87-A91 PolarHBondContact O-N 2.68Å |
| 88 | G | 91.5 | Very high | 89 | Confident | 38 Ų | 38 | 39 Ų | 39 | 39% | 0.392 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R84 L85 G90 A91 V92 | R84-G88 PolarHBondContact O-N 3.5Å; L85-G88 PolarHBondContact O-N 3Å; G88-G90 VanDerWaalsContact C-N 3.3Å; G88-G90 PolarHBondContact O-N 3.2Å; G88-A91 PolarHBondContact O-N 2.74Å; G88-V92 WeakPolarHBondContact O-CG2 3.32Å; G88-V92 PolarHBondContact O-N 3.3Å; G88-V92 VanDerWaalsContact O-N 3.07Å |
| 89 | L | 91 | Very high | 89 | Confident | 41 Ų | 41 | 41.7 Ų | 41.7 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -37.6 | 174.7 | -68 | 171.4 | 0 | 0 | 0 | 111.8 | L85 V92 W93 L125 T128 | L85-L89 HydrophobicContact CD2-CD1 3.69Å; L85-L89 HydrophobicContact CG-CD1 4.17Å; L85-L89 WeakPolarHBondContact O-CB 3.37Å; L85-L89 WeakPolarHBondContact O-CG 3.21Å; L85-L89 PolarHBondContact O-N 3.03Å; L89-V92 PolarHBondContact O-N 3.36Å; L89-W93 PolarHBondContact O-N 2.85Å; L89-L125 HydrophobicContact CB-CD1 4.35Å; L89-L125 HydrophobicContact CB-CD2 3.95Å; L89-L125 HydrophobicContact CB-CG 3.77Å; L89-L125 HydrophobicContact CD1-CD2 4.35Å; L89-L125 HydrophobicContact CD1-CG 4.3Å; L89-T128 HydrophobicContact CD1-CG2 4.45Å |
| 90 | G | 91 | Very high | 88.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | A86 S87 G88 W93 I94 | A86-G90 PolarHBondContact O-N 3.32Å; S87-G90 PolarHBondContact O-N 3.15Å; G88-G90 VanDerWaalsContact C-N 3.3Å; G88-G90 PolarHBondContact O-N 3.2Å; G90-W93 WeakPolarHBondContact O-CB 3.36Å; G90-W93 PolarHBondContact O-N 3.11Å; G90-I94 VanDerWaalsContact O-CG1 3.3Å; G90-I94 WeakPolarHBondContact O-CG1 3.31Å; G90-I94 PolarHBondContact O-N 3.22Å |
| 91 | A | 93.2 | Very high | 88.6 | Confident | 45 Ų | 45 | 39.5 Ų | 39.5 | 37% | 0.372 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.2 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S87 G88 W93 I94 V95 | S87-A91 PolarHBondContact O-N 2.68Å; G88-A91 PolarHBondContact O-N 2.74Å; A91-W93 VanDerWaalsContact C-N 3.3Å; A91-W93 PolarHBondContact O-N 3.25Å; A91-I94 PolarHBondContact O-N 2.92Å; A91-V95 WeakPolarHBondContact O-CG2 3.48Å; A91-V95 PolarHBondContact O-N 3.4Å |
| 92 | V | 92.8 | Very high | 88.6 | Confident | 67 Ų | 67 | 42.6 Ų | 42.6 | 41% | 0.406 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60 | -42.3 | 175.5 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | G88 L89 S96 F117 A121 | G88-V92 WeakPolarHBondContact O-CG2 3.32Å; G88-V92 PolarHBondContact O-N 3.3Å; G88-V92 VanDerWaalsContact O-N 3.07Å; L89-V92 PolarHBondContact O-N 3.36Å; V92-S96 WeakPolarHBondContact O-CB 3.49Å; V92-S96 PolarHBondContact O-N 3.14Å; V92-F117 HydrophobicContact CG1-CD2 3.92Å; V92-F117 HydrophobicContact CG1-CE2 4.15Å; V92-A121 HydrophobicContact CB-CB 4.17Å; V92-A121 HydrophobicContact CG1-CB 3.88Å |
| 93 | W | 92.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 176.7 | -175 | 88.1 | 0 | 0 | 0 | 112 | M21 T64 V67 Y68 F71 L89 G90 A91 V95 S96 R97 A121 | M21-W93 HydrophobicContact CE-CH2 4.18Å; M21-W93 HydrophobicContact CE-CZ3 3.75Å; M21-W93 HydrophobicContact SD-CZ3 4.33Å; T64-W93 HydrophobicContact CG2-CH2 4.24Å; V67-W93 HydrophobicContact CB-CZ2 4.33Å; V67-W93 HydrophobicContact CG1-CZ2 3.91Å; Y68-W93 HydrophobicContact CD2-CH2 4.15Å; Y68-W93 HydrophobicContact CD2-CZ3 4.31Å; F71-W93 HydrophobicContact CB-CH2 4.15Å; F71-W93 HydrophobicContact CB-CZ2 4.11Å; F71-W93 HydrophobicContact CB-CZ3 4.43Å; F71-W93 AromaticContact CD1-CE3 3.98Å; F71-W93 HydrophobicContact CD1-CE3 3.98Å; F71-W93 HydrophobicContact CD1-CH2 4.17Å; F71-W93 AromaticContact CD1-CZ3 3.7Å; F71-W93 HydrophobicContact CD1-CZ3 3.7Å; F71-W93 HydrophobicContact CD2-CB 4.32Å; F71-W93 AromaticContact CD2-CD2 3.47Å; F71-W93 HydrophobicContact CD2-CD2 3.47Å; F71-W93 VanDerWaalsContact CD2-CD2 3.47Å; F71-W93 AromaticContact CD2-CE2 3.93Å; F71-W93 AromaticContact CD2-CE3 3.51Å; F71-W93 HydrophobicContact CD2-CE3 3.51Å; F71-W93 AromaticContact CD2-CG 3.83Å; F71-W93 HydrophobicContact CD2-CG 3.83Å; F71-W93 HydrophobicContact CD2-CH2 4.43Å; F71-W93 HydrophobicContact CD2-CZ2 4.4Å; F71-W93 HydrophobicContact CD2-CZ3 4Å; F71-W93 AromaticContact CE1-CE3 3.91Å; F71-W93 HydrophobicContact CE1-CE3 3.91Å; F71-W93 AromaticContact CE1-CZ3 3.88Å; F71-W93 HydrophobicContact CE1-CZ3 3.88Å; F71-W93 HydrophobicContact CE2-CB 3.87Å; F71-W93 AromaticContact CE2-CD2 3.63Å; F71-W93 HydrophobicContact CE2-CD2 3.63Å; F71-W93 AromaticContact CE2-CE3 3.41Å; F71-W93 HydrophobicContact CE2-CE3 3.41Å; F71-W93 VanDerWaalsContact CE2-CE3 3.41Å; F71-W93 AromaticContact CE2-CG 3.84Å; F71-W93 HydrophobicContact CE2-CG 3.84Å; F71-W93 HydrophobicContact CE2-CZ3 4.15Å; F71-W93 HydrophobicContact CG-CD2 4.01Å; F71-W93 AromaticContact CG-CE3 3.79Å; F71-W93 HydrophobicContact CG-CE3 3.79Å; F71-W93 AromaticContact CG-CH2 3.98Å; F71-W93 HydrophobicContact CG-CH2 3.98Å; F71-W93 HydrophobicContact CG-CZ2 4.2Å; F71-W93 AromaticContact CG-CZ3 3.76Å; F71-W93 HydrophobicContact CG-CZ3 3.76Å; F71-W93 HydrophobicContact CZ-CD2 4.32Å; F71-W93 AromaticContact CZ-CE3 3.62Å; F71-W93 HydrophobicContact CZ-CE3 3.62Å; F71-W93 HydrophobicContact CZ-CZ3 4.1Å; L89-W93 PolarHBondContact O-N 2.85Å; G90-W93 WeakPolarHBondContact O-CB 3.36Å; G90-W93 PolarHBondContact O-N 3.11Å; A91-W93 VanDerWaalsContact C-N 3.3Å; A91-W93 PolarHBondContact O-N 3.25Å; W93-V95 PolarHBondContact O-N 3.26Å; W93-S96 VanDerWaalsContact O-CB 3.32Å; W93-S96 WeakPolarHBondContact O-CB 3.49Å; W93-S96 PolarHBondContact O-N 2.98Å; W93-S96 VanDerWaalsContact O-N 3.14Å; W93-R97 HydrophobicContact CD2-CG 3.98Å; W93-R97 HydrophobicContact CE3-CG 4.07Å; W93-R97 HydrophobicContact CH2-CG 3.89Å; W93-R97 HydrophobicContact CZ2-CG 3.78Å; W93-R97 HydrophobicContact CZ3-CG 4.03Å; W93-R97 WeakPolarHBondContact O-CG 3.46Å; W93-R97 PolarHBondContact O-N 3.26Å; W93-A121 HydrophobicContact CB-CB 4.23Å |
| 94 | I | 91.6 | Very high | 87.8 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 11% | 0.108 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.1 | -51.2 | 178.3 | -68.1 | 164.2 | 0 | 0 | 0 | 111 | T14 A17 M21 G90 A91 S96 R97 E98 | T14-I94 HydrophobicContact CG2-CD1 3.9Å; T14-I94 WeakPolarHBondContact O-CD1 3.12Å; A17-I94 HydrophobicContact CB-CD1 3.95Å; M21-I94 HydrophobicContact CB-CG2 4Å; M21-I94 HydrophobicContact CG-CG2 4.14Å; M21-I94 HydrophobicContact SD-CB 4.26Å; M21-I94 HydrophobicContact SD-CG1 4.44Å; M21-I94 HydrophobicContact SD-CG2 3.92Å; G90-I94 VanDerWaalsContact O-CG1 3.3Å; G90-I94 WeakPolarHBondContact O-CG1 3.31Å; G90-I94 PolarHBondContact O-N 3.22Å; A91-I94 PolarHBondContact O-N 2.92Å; I94-S96 PolarHBondContact O-N 3.07Å; I94-R97 PolarHBondContact O-N 3.47Å; I94-E98 PolarHBondContact O-N 3.07Å |
| 95 | V | 91.7 | Very high | 87.1 | Confident | 85 Ų | 85 | 35.4 Ų | 35.4 | 52% | 0.515 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.3 | -39.4 | 178.4 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | A91 W93 R97 E98 V99 | A91-V95 WeakPolarHBondContact O-CG2 3.48Å; A91-V95 PolarHBondContact O-N 3.4Å; W93-V95 PolarHBondContact O-N 3.26Å; V95-R97 VanDerWaalsContact C-N 3.35Å; V95-R97 PolarHBondContact O-N 3.41Å; V95-E98 PolarHBondContact O-N 2.8Å; V95-V99 HydrophobicContact CG1-CG2 4.39Å; V95-V99 VanDerWaalsContact O-CG2 3.3Å; V95-V99 WeakPolarHBondContact O-CG2 3.21Å; V95-V99 PolarHBondContact O-N 3.07Å |
| 96 | S | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.7 | -39.5 | 178 | -151.8 | 0 | 0 | 0 | 0 | 113.5 | V92 W93 I94 V99 Y100 G115 F117 G118 | V92-S96 WeakPolarHBondContact O-CB 3.49Å; V92-S96 PolarHBondContact O-N 3.14Å; W93-S96 VanDerWaalsContact O-CB 3.32Å; W93-S96 WeakPolarHBondContact O-CB 3.49Å; W93-S96 PolarHBondContact O-N 2.98Å; W93-S96 VanDerWaalsContact O-N 3.14Å; I94-S96 PolarHBondContact O-N 3.07Å; S96-V99 PolarHBondContact O-N 3.12Å; S96-Y100 VanDerWaalsContact O-CB 3.24Å; S96-Y100 WeakPolarHBondContact O-CB 3.41Å; S96-Y100 PolarHBondContact O-N 3.28Å; S96-G115 PolarHBondContact OG-O 3.17Å; S96-F117 WeakPolarHBondContact OG-CD1 3.35Å; S96-F117 VanDerWaalsContact OG-CD2 3.28Å; S96-F117 WeakPolarHBondContact OG-CD2 3.23Å; S96-F117 WeakPolarHBondContact OG-CE1 3.33Å; S96-F117 WeakPolarHBondContact OG-CE2 3.43Å; S96-F117 WeakPolarHBondContact OG-CG 3.32Å; S96-F117 VanDerWaalsContact OG-CZ 3.25Å; S96-F117 WeakPolarHBondContact OG-CZ 3.38Å; S96-G118 VanDerWaalsContact OG-CA 3.23Å; S96-G118 WeakPolarHBondContact OG-CA 3.43Å; S96-G118 PolarHBondContact OG-N 3.44Å |
| 97 | R | 88.2 | Confident | 84.9 | Confident | 10 Ų | 10 | 34.9 Ų | 34.9 | 4% | 0.038 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.1 | -35 | 177 | -64.7 | -53 | -63.2 | -171.1 | 8.5 | 112.2 | M21 N63 T64 W93 I94 V95 Y100 A101 | M21-R97 HydrophobicContact CE-CB 4.36Å; M21-R97 HydrophobicContact CE-CG 4.46Å; M21-R97 HydrophobicContact SD-CB 3.49Å; M21-R97 WeakPolarHBondContact SD-CB 3.28Å; M21-R97 HydrophobicContact SD-CG 4Å; N63-R97 VanDerWaalsContact C-NH2 3.25Å; N63-R97 PolarHBondContact OD1-NH1 3.25Å; N63-R97 PolarHBondContact OD1-NH2 2.95Å; T64-R97 HydrophobicContact CG2-CG 4.33Å; T64-R97 VanDerWaalsContact OG1-CZ 3.29Å; T64-R97 PolarHBondContact OG1-NE 2.95Å; T64-R97 PolarHBondContact OG1-NH2 3.11Å; W93-R97 HydrophobicContact CD2-CG 3.98Å; W93-R97 HydrophobicContact CE3-CG 4.07Å; W93-R97 HydrophobicContact CH2-CG 3.89Å; W93-R97 HydrophobicContact CZ2-CG 3.78Å; W93-R97 HydrophobicContact CZ3-CG 4.03Å; W93-R97 WeakPolarHBondContact O-CG 3.46Å; W93-R97 PolarHBondContact O-N 3.26Å; I94-R97 PolarHBondContact O-N 3.47Å; V95-R97 VanDerWaalsContact C-N 3.35Å; V95-R97 PolarHBondContact O-N 3.41Å; R97-Y100 WeakPolarHBondContact O-CB 3.49Å; R97-Y100 PolarHBondContact O-N 2.94Å; R97-A101 WeakPolarHBondContact O-CB 3.28Å; R97-A101 PolarHBondContact O-N 3Å |
| 98 | E | 87.3 | Confident | 83.8 | Confident | 43 Ų | 43 | 37.4 Ų | 37.4 | 20% | 0.201 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.7 | -44.2 | 173.1 | -77.6 | -62.4 | 166.4 | 0 | 0 | 112.1 | M21 H24 L25 K28 I94 V95 Y100 A101 H102 | M21-E98 HydrophobicContact CG-CG 4.16Å; H24-E98 IonicContact CE1-OE1 3.25Å; H24-E98 IonicContact CE1-OE2 2.68Å; H24-E98 PolarHBondContact CE1-OE2 2.97Å; H24-E98 VanDerWaalsContact CE1-OE2 3.25Å; H24-E98 IonicContact CG-OE1 3.63Å; H24-E98 IonicContact ND1-OE1 2.87Å; H24-E98 PolarHBondContact ND1-OE1 2.81Å; H24-E98 IonicContact ND1-OE2 3.42Å; H24-E98 PolarHBondContact ND1-OE2 3.03Å; H24-E98 VanDerWaalsContact ND1-OE2 3.09Å; L25-E98 WeakPolarHBondContact CD1-OE1 3.26Å; K28-E98 IonicContact NZ-OE2 3.41Å; K28-E98 PolarHBondContact NZ-OE2 3.25Å; K28-E98 VanDerWaalsContact NZ-OE2 3.15Å; I94-E98 PolarHBondContact O-N 3.07Å; V95-E98 PolarHBondContact O-N 2.8Å; E98-Y100 VanDerWaalsContact C-N 3.32Å; E98-Y100 PolarHBondContact O-N 3.45Å; E98-A101 PolarHBondContact O-N 3.33Å; E98-H102 WeakPolarHBondContact O-CB 3.43Å; E98-H102 PolarHBondContact O-N 3.01Å |
| 99 | V | 86.9 | Confident | 82.4 | Confident | 55 Ų | 55 | 38.6 Ų | 38.6 | 33% | 0.333 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.6 | -41 | 175.9 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | V95 S96 H102 G103 R114 F117 | V95-V99 HydrophobicContact CG1-CG2 4.39Å; V95-V99 VanDerWaalsContact O-CG2 3.3Å; V95-V99 WeakPolarHBondContact O-CG2 3.21Å; V95-V99 PolarHBondContact O-N 3.07Å; S96-V99 PolarHBondContact O-N 3.12Å; V99-H102 PolarHBondContact O-N 3.46Å; V99-G103 PolarHBondContact O-N 3.28Å; V99-R114 HydrophobicContact CG1-CB 4.04Å; V99-F117 HydrophobicContact CB-CE1 4.43Å; V99-F117 HydrophobicContact CG1-CE1 4.4Å; V99-F117 HydrophobicContact CG2-CZ 4.35Å |
| 100 | Y | 83.2 | Confident | 81.3 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 10% | 0.102 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58 | -52.9 | 173.6 | -180 | -85.4 | 0 | 0 | 0 | 110.7 | A60 S96 R97 E98 H102 G103 Y104 R112 | A60-Y100 HydrophobicContact CB-CD1 4.34Å; A60-Y100 HydrophobicContact CB-CE1 4.03Å; S96-Y100 VanDerWaalsContact O-CB 3.24Å; S96-Y100 WeakPolarHBondContact O-CB 3.41Å; S96-Y100 PolarHBondContact O-N 3.28Å; R97-Y100 WeakPolarHBondContact O-CB 3.49Å; R97-Y100 PolarHBondContact O-N 2.94Å; E98-Y100 VanDerWaalsContact C-N 3.32Å; E98-Y100 PolarHBondContact O-N 3.45Å; Y100-H102 PolarHBondContact O-N 2.85Å; Y100-G103 PolarHBondContact O-N 3.01Å; Y100-Y104 HydrophobicContact CD1-CD2 4.44Å; Y100-Y104 AromaticContact CE1-CD2 3.7Å; Y100-Y104 HydrophobicContact CE1-CD2 3.7Å; Y100-Y104 HydrophobicContact CE1-CE2 4.23Å; Y100-Y104 HydrophobicContact CE1-CG 4.41Å; Y100-Y104 HydrophobicContact CE2-CD2 4.39Å; Y100-Y104 AromaticContact CZ-CD2 3.68Å; Y100-Y104 AromaticContact CZ-CE2 3.86Å; Y100-Y104 WeakPolarHBondContact O-CB 3.34Å; Y100-Y104 PolarHBondContact O-N 3.21Å; Y100-Y104 WeakPolarHBondContact OH-CE2 3.42Å; Y100-R112 HydrophobicContact CD2-CB 4.02Å; Y100-R112 WeakPolarHBondContact CD2-O 3.36Å; Y100-R112 HydrophobicContact CE2-CB 3.6Å; Y100-R112 HydrophobicContact CE2-CG 4.12Å |
| 101 | A | 82.1 | Confident | 80.2 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L25 R97 E98 Y104 S105 | L25-A101 HydrophobicContact CD1-CB 4.39Å; L25-A101 HydrophobicContact CD2-CB 4.07Å; L25-A101 HydrophobicContact CG-CB 4.1Å; R97-A101 WeakPolarHBondContact O-CB 3.28Å; R97-A101 PolarHBondContact O-N 3Å; E98-A101 PolarHBondContact O-N 3.33Å; A101-Y104 PolarHBondContact O-N 2.95Å; A101-S105 WeakPolarHBondContact O-CB 3.22Å; A101-S105 PolarHBondContact O-N 3.41Å; A101-S105 PolarHBondContact O-OG 3.45Å |
| 102 | H | 82.1 | Confident | 78.8 | Confident | 131 Ų | 131 | 51.8 Ų | 51.8 | 61% | 0.606 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | 175.3 | -173.5 | 78.9 | 0 | 0 | 0 | 111.7 | E98 V99 Y100 Y104 S105 | E98-H102 WeakPolarHBondContact O-CB 3.43Å; E98-H102 PolarHBondContact O-N 3.01Å; V99-H102 PolarHBondContact O-N 3.46Å; Y100-H102 PolarHBondContact O-N 2.85Å; H102-Y104 PolarHBondContact O-N 3.26Å; H102-S105 PolarHBondContact O-N 2.85Å |
| 103 | G | 78.5 | Confident | 77.8 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | V99 Y100 S105 T106 | V99-G103 PolarHBondContact O-N 3.28Å; Y100-G103 PolarHBondContact O-N 3.01Å; G103-S105 VanDerWaalsContact C-N 3.29Å; G103-S105 PolarHBondContact O-N 2.9Å; G103-T106 PolarHBondContact O-N 3.47Å; G103-T106 PolarHBondContact O-OG1 3.15Å |
| 104 | Y | 74.6 | Confident | 76.9 | Confident | 22 Ų | 22 | 62.7 Ų | 62.7 | 9% | 0.086 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -30.5 | 178.9 | -135.4 | -81.1 | 0 | 0 | 0 | 112.7 | C56 A60 Y100 A101 H102 T106 G107 R112 | C56-Y104 HydrophobicContact CB-CD1 3.52Å; C56-Y104 HydrophobicContact CB-CE1 3.76Å; C56-Y104 WeakPolarHBondContact CB-O 3.34Å; C56-Y104 WeakPolarHBondContact O-CD1 3.38Å; A60-Y104 HydrophobicContact CB-CD1 4.24Å; A60-Y104 HydrophobicContact CB-CG 4Å; Y100-Y104 HydrophobicContact CD1-CD2 4.44Å; Y100-Y104 AromaticContact CE1-CD2 3.7Å; Y100-Y104 HydrophobicContact CE1-CD2 3.7Å; Y100-Y104 HydrophobicContact CE1-CE2 4.23Å; Y100-Y104 HydrophobicContact CE1-CG 4.41Å; Y100-Y104 HydrophobicContact CE2-CD2 4.39Å; Y100-Y104 AromaticContact CZ-CD2 3.68Å; Y100-Y104 AromaticContact CZ-CE2 3.86Å; Y100-Y104 WeakPolarHBondContact O-CB 3.34Å; Y100-Y104 PolarHBondContact O-N 3.21Å; Y100-Y104 WeakPolarHBondContact OH-CE2 3.42Å; A101-Y104 PolarHBondContact O-N 2.95Å; H102-Y104 PolarHBondContact O-N 3.26Å; Y104-T106 PolarHBondContact O-N 3.24Å; Y104-T106 VanDerWaalsContact O-N 3.15Å; Y104-G107 PolarHBondContact O-N 3.32Å; Y104-R112 HydrophobicContact CD2-CB 3.45Å; Y104-R112 VanDerWaalsContact CD2-CB 3.45Å; Y104-R112 HydrophobicContact CE2-CB 3.7Å; Y104-R112 HydrophobicContact CE2-CG 4.33Å |
| 105 | S | 72.8 | Confident | 76.1 | Confident | 38 Ų | 38 | 62 Ų | 62 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -6.8 | -179.8 | -58.1 | 0 | 0 | 0 | 0 | 113.9 | A101 H102 G103 G107 | A101-S105 WeakPolarHBondContact O-CB 3.22Å; A101-S105 PolarHBondContact O-N 3.41Å; A101-S105 PolarHBondContact O-OG 3.45Å; H102-S105 PolarHBondContact O-N 2.85Å; G103-S105 VanDerWaalsContact C-N 3.29Å; G103-S105 PolarHBondContact O-N 2.9Å; S105-G107 VanDerWaalsContact C-N 3.29Å; S105-G107 PolarHBondContact O-N 3.24Å |
| 106 | T | 72.3 | Confident | 75.4 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 44% | 0.436 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 2.6 | 179.5 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | G103 Y104 D108 K111 | G103-T106 PolarHBondContact O-N 3.47Å; G103-T106 PolarHBondContact O-OG1 3.15Å; Y104-T106 PolarHBondContact O-N 3.24Å; Y104-T106 VanDerWaalsContact O-N 3.15Å; T106-D108 PolarHBondContact O-N 3.12Å; T106-K111 WeakPolarHBondContact OG1-CD 3.24Å |
| 107 | G | 59.6 | Low | 75 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 13% | 0.134 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 82.1 | -4.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y104 S105 P109 | Y104-G107 PolarHBondContact O-N 3.32Å; S105-G107 VanDerWaalsContact C-N 3.29Å; S105-G107 PolarHBondContact O-N 3.24Å; G107-P109 WeakPolarHBondContact O-CD 3.44Å |
| 108 | D | 66.8 | Low | 74.6 | Confident | 71 Ų | 71 | 63 Ų | 63 | 38% | 0.38 | 31% | 0.309 | S | S | . | . | trans | -108.3 | 105 | -176.5 | -126.1 | -30.7 | 0 | 0 | 0 | 110.4 | T106 K110 K111 | T106-D108 PolarHBondContact O-N 3.12Å; D108-K110 PolarHBondContact O-N 2.9Å; D108-K110 VanDerWaalsContact O-N 3.07Å; D108-K111 HydrophobicContact CB-CB 4.43Å; D108-K111 HydrophobicContact CB-CD 3.63Å; D108-K111 HydrophobicContact CB-CG 4Å; D108-K111 PolarHBondContact O-N 3.06Å; D108-K111 VanDerWaalsContact OD2-CE 3.31Å; D108-K111 WeakPolarHBondContact OD2-CE 3.27Å; D108-K111 IonicContact OD2-NZ 3.63Å; D108-K111 PolarHBondContact OD2-NZ 3.32Å | ||
| 109 | P | 62.6 | Low | 74.5 | Confident | 64 Ų | 64 | 65 Ų | 65 | 42% | 0.416 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -60.2 | -26.1 | -175.2 | -24.8 | 33.9 | 0 | 0 | 0 | 113.4 | G107 K111 R112 | G107-P109 WeakPolarHBondContact O-CD 3.44Å; P109-K111 VanDerWaalsContact C-N 3.32Å; P109-K111 PolarHBondContact O-N 3.33Å; P109-R112 WeakPolarHBondContact O-CB 3.49Å; P109-R112 WeakPolarHBondContact O-CD 3.38Å; P109-R112 WeakPolarHBondContact O-CG 3.19Å; P109-R112 PolarHBondContact O-N 2.94Å |
| 110 | K | 68 | Low | 74.5 | Confident | 178 Ų | 178 | 67.4 Ų | 67.4 | 77% | 0.774 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -70 | -26.2 | 179.2 | -68.8 | -176.9 | -179.8 | 178.1 | 0 | 113 | D108 R112 M113 | D108-K110 PolarHBondContact O-N 2.9Å; D108-K110 VanDerWaalsContact O-N 3.07Å; K110-R112 PolarHBondContact O-N 3.45Å; K110-R112 VanDerWaalsContact O-N 3.13Å; K110-M113 WeakPolarHBondContact O-CG 3.33Å; K110-M113 PolarHBondContact O-N 3.22Å |
| 111 | K | 67.9 | Low | 74.6 | Confident | 71 Ų | 71 | 66.4 Ų | 66.4 | 31% | 0.309 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -69.3 | -9.9 | -179.9 | -73.2 | 171.3 | -175.7 | 147.4 | 0 | 113.2 | T106 D108 P109 M113 R114 | T106-K111 WeakPolarHBondContact OG1-CD 3.24Å; D108-K111 HydrophobicContact CB-CB 4.43Å; D108-K111 HydrophobicContact CB-CD 3.63Å; D108-K111 HydrophobicContact CB-CG 4Å; D108-K111 PolarHBondContact O-N 3.06Å; D108-K111 VanDerWaalsContact OD2-CE 3.31Å; D108-K111 WeakPolarHBondContact OD2-CE 3.27Å; D108-K111 IonicContact OD2-NZ 3.63Å; D108-K111 PolarHBondContact OD2-NZ 3.32Å; P109-K111 VanDerWaalsContact C-N 3.32Å; P109-K111 PolarHBondContact O-N 3.33Å; K111-M113 PolarHBondContact O-N 2.97Å; K111-R114 PolarHBondContact O-N 3.3Å |
| 112 | R | 64.2 | Low | 74.9 | Confident | 114 Ų | 114 | 67 Ų | 67 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -56.4 | -27.7 | 169.7 | 82.7 | -174.9 | 178.4 | 178.3 | -0.7 | 113.8 | Y100 Y104 P109 K110 R114 G115 | Y100-R112 HydrophobicContact CD2-CB 4.02Å; Y100-R112 WeakPolarHBondContact CD2-O 3.36Å; Y100-R112 HydrophobicContact CE2-CB 3.6Å; Y100-R112 HydrophobicContact CE2-CG 4.12Å; Y104-R112 HydrophobicContact CD2-CB 3.45Å; Y104-R112 VanDerWaalsContact CD2-CB 3.45Å; Y104-R112 HydrophobicContact CE2-CB 3.7Å; Y104-R112 HydrophobicContact CE2-CG 4.33Å; P109-R112 WeakPolarHBondContact O-CB 3.49Å; P109-R112 WeakPolarHBondContact O-CD 3.38Å; P109-R112 WeakPolarHBondContact O-CG 3.19Å; P109-R112 PolarHBondContact O-N 2.94Å; K110-R112 PolarHBondContact O-N 3.45Å; K110-R112 VanDerWaalsContact O-N 3.13Å; R112-R114 PolarHBondContact O-N 2.91Å; R112-R114 VanDerWaalsContact O-N 3.12Å; R112-G115 PolarHBondContact O-N 2.86Å |
| 113 | M | 71.9 | Confident | 75.3 | Confident | 127 Ų | 127 | 65.4 Ų | 65.4 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -62.2 | -20.6 | -178.1 | -67.2 | -58.2 | -64.1 | 0 | 0 | 113 | K110 K111 G115 A116 | K110-M113 WeakPolarHBondContact O-CG 3.33Å; K110-M113 PolarHBondContact O-N 3.22Å; K111-M113 PolarHBondContact O-N 2.97Å; M113-G115 PolarHBondContact O-N 2.94Å; M113-A116 HydrophobicContact CE-CB 4.21Å; M113-A116 WeakPolarHBondContact O-CB 3.33Å; M113-A116 PolarHBondContact O-N 3.26Å |
| 114 | R | 72.8 | Confident | 75.7 | Confident | 170 Ų | 170 | 66.1 Ų | 66.1 | 64% | 0.642 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -61.4 | -27.2 | 174.6 | -66.2 | -179.1 | 176.7 | -179.5 | -2 | 112.8 | V99 K111 R112 F117 | V99-R114 HydrophobicContact CG1-CB 4.04Å; K111-R114 PolarHBondContact O-N 3.3Å; R112-R114 PolarHBondContact O-N 2.91Å; R112-R114 VanDerWaalsContact O-N 3.12Å; R114-F117 VanDerWaalsContact O-CD1 3.26Å; R114-F117 WeakPolarHBondContact O-CD1 3.43Å; R114-F117 WeakPolarHBondContact O-CE1 3.48Å |
| 115 | G | 74.4 | Confident | 76.4 | Confident | 5 Ų | 5 | 65 Ų | 65 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -99.1 | 16.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | S96 R112 M113 F117 G118 | S96-G115 PolarHBondContact OG-O 3.17Å; R112-G115 PolarHBondContact O-N 2.86Å; M113-G115 PolarHBondContact O-N 2.94Å; G115-F117 PolarHBondContact O-N 3.17Å; G115-G118 PolarHBondContact O-N 3.36Å |
| 116 | A | 78 | Confident | 77.2 | Confident | 30 Ų | 30 | 66.6 Ų | 66.6 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -20.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M113 G118 N119 | M113-A116 HydrophobicContact CE-CB 4.21Å; M113-A116 WeakPolarHBondContact O-CB 3.33Å; M113-A116 PolarHBondContact O-N 3.26Å; A116-G118 PolarHBondContact O-N 3.3Å; A116-G118 VanDerWaalsContact O-N 3.17Å; A116-N119 WeakPolarHBondContact O-CB 3.49Å; A116-N119 PolarHBondContact O-N 3.04Å; A116-N119 PolarHBondContact O-ND2 3.2Å |
| 117 | F | 81.1 | Confident | 78 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 37% | 0.368 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.7 | -23.9 | 178.1 | 65.3 | -92.6 | 0 | 0 | 0 | 113.1 | V92 S96 V99 R114 G115 N119 V120 A121 | V92-F117 HydrophobicContact CG1-CD2 3.92Å; V92-F117 HydrophobicContact CG1-CE2 4.15Å; S96-F117 WeakPolarHBondContact OG-CD1 3.35Å; S96-F117 VanDerWaalsContact OG-CD2 3.28Å; S96-F117 WeakPolarHBondContact OG-CD2 3.23Å; S96-F117 WeakPolarHBondContact OG-CE1 3.33Å; S96-F117 WeakPolarHBondContact OG-CE2 3.43Å; S96-F117 WeakPolarHBondContact OG-CG 3.32Å; S96-F117 VanDerWaalsContact OG-CZ 3.25Å; S96-F117 WeakPolarHBondContact OG-CZ 3.38Å; V99-F117 HydrophobicContact CB-CE1 4.43Å; V99-F117 HydrophobicContact CG1-CE1 4.4Å; V99-F117 HydrophobicContact CG2-CZ 4.35Å; R114-F117 VanDerWaalsContact O-CD1 3.26Å; R114-F117 WeakPolarHBondContact O-CD1 3.43Å; R114-F117 WeakPolarHBondContact O-CE1 3.48Å; G115-F117 PolarHBondContact O-N 3.17Å; F117-N119 PolarHBondContact O-N 3.32Å; F117-V120 WeakPolarHBondContact O-CB 3.38Å; F117-V120 PolarHBondContact O-N 3.35Å; F117-V120 VanDerWaalsContact O-N 3.17Å; F117-A121 PolarHBondContact O-N 3.07Å |
| 118 | G | 78.9 | Confident | 79.3 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.6 | -28.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | S96 G115 A116 V120 A121 L122 | S96-G118 VanDerWaalsContact OG-CA 3.23Å; S96-G118 WeakPolarHBondContact OG-CA 3.43Å; S96-G118 PolarHBondContact OG-N 3.44Å; G115-G118 PolarHBondContact O-N 3.36Å; A116-G118 PolarHBondContact O-N 3.3Å; A116-G118 VanDerWaalsContact O-N 3.17Å; G118-V120 VanDerWaalsContact C-N 3.29Å; G118-V120 PolarHBondContact O-N 2.72Å; G118-A121 PolarHBondContact O-N 3.33Å; G118-L122 PolarHBondContact O-N 2.87Å |
| 119 | N | 84.6 | Confident | 80.4 | Confident | 87 Ų | 87 | 66.1 Ų | 66.1 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.3 | -35.4 | 175.2 | -62.8 | -38.9 | 0 | 0 | 0 | 111.3 | A116 F117 L122 L123 | A116-N119 WeakPolarHBondContact O-CB 3.49Å; A116-N119 PolarHBondContact O-N 3.04Å; A116-N119 PolarHBondContact O-ND2 3.2Å; F117-N119 PolarHBondContact O-N 3.32Å; N119-L122 PolarHBondContact O-N 2.98Å; N119-L123 WeakPolarHBondContact O-CB 3.27Å; N119-L123 WeakPolarHBondContact O-CD1 3.35Å; N119-L123 VanDerWaalsContact O-CG 3.27Å; N119-L123 WeakPolarHBondContact O-CG 3.45Å; N119-L123 PolarHBondContact O-N 3.3Å |
| 120 | V | 86.9 | Confident | 81.6 | Confident | 105 Ų | 105 | 68.9 Ų | 68.9 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 174.4 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | F117 G118 L122 L123 G124 | F117-V120 WeakPolarHBondContact O-CB 3.38Å; F117-V120 PolarHBondContact O-N 3.35Å; F117-V120 VanDerWaalsContact O-N 3.17Å; G118-V120 VanDerWaalsContact C-N 3.29Å; G118-V120 PolarHBondContact O-N 2.72Å; V120-L122 PolarHBondContact O-N 3.47Å; V120-L123 PolarHBondContact O-N 2.92Å; V120-G124 PolarHBondContact O-N 2.89Å |
| 121 | A | 86.7 | Confident | 82.5 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 3% | 0.033 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V92 W93 F117 G118 G124 L125 | V92-A121 HydrophobicContact CB-CB 4.17Å; V92-A121 HydrophobicContact CG1-CB 3.88Å; W93-A121 HydrophobicContact CB-CB 4.23Å; F117-A121 PolarHBondContact O-N 3.07Å; G118-A121 PolarHBondContact O-N 3.33Å; A121-G124 PolarHBondContact O-N 3.34Å; A121-L125 PolarHBondContact O-N 2.97Å |
| 122 | L | 87.8 | Confident | 83.4 | Confident | 19 Ų | 19 | 63 Ų | 63 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.7 | -42 | 175.6 | -174 | 66.7 | 0 | 0 | 0 | 112 | V67 F71 G118 N119 V120 G124 L125 M126 | V67-L122 HydrophobicContact CG1-CD2 3.46Å; V67-L122 VanDerWaalsContact CG1-CD2 3.46Å; F71-L122 HydrophobicContact CB-CD1 4.09Å; F71-L122 HydrophobicContact CD2-CD1 4.31Å; G118-L122 PolarHBondContact O-N 2.87Å; N119-L122 PolarHBondContact O-N 2.98Å; V120-L122 PolarHBondContact O-N 3.47Å; L122-G124 VanDerWaalsContact C-N 3.3Å; L122-G124 PolarHBondContact O-N 2.92Å; L122-L125 PolarHBondContact O-N 3.34Å; L122-M126 HydrophobicContact CG-CE 4.29Å; L122-M126 WeakPolarHBondContact O-CG 3.43Å; L122-M126 PolarHBondContact O-N 3.47Å |
| 123 | L | 90 | Very high | 84.5 | Confident | 96 Ų | 96 | 58.9 Ų | 58.9 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 173.4 | -75.2 | 163 | 0 | 0 | 0 | 111.1 | N119 V120 L125 M126 L127 | N119-L123 WeakPolarHBondContact O-CB 3.27Å; N119-L123 WeakPolarHBondContact O-CD1 3.35Å; N119-L123 VanDerWaalsContact O-CG 3.27Å; N119-L123 WeakPolarHBondContact O-CG 3.45Å; N119-L123 PolarHBondContact O-N 3.3Å; V120-L123 PolarHBondContact O-N 2.92Å; L123-L125 PolarHBondContact O-N 2.88Å; L123-M126 HydrophobicContact CB-CE 4.45Å; L123-M126 HydrophobicContact CD2-CE 3.55Å; L123-M126 HydrophobicContact CG-CE 4.05Å; L123-M126 PolarHBondContact O-N 3.44Å; L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 VanDerWaalsContact O-CG 3.27Å; L123-L127 WeakPolarHBondContact O-CG 3.33Å; L123-L127 PolarHBondContact O-N 3.28Å |
| 124 | G | 88.4 | Confident | 85.3 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57 | -46.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V120 A121 L122 M126 L127 T128 | V120-G124 PolarHBondContact O-N 2.89Å; A121-G124 PolarHBondContact O-N 3.34Å; L122-G124 VanDerWaalsContact C-N 3.3Å; L122-G124 PolarHBondContact O-N 2.92Å; G124-M126 PolarHBondContact O-N 3.49Å; G124-L127 PolarHBondContact O-N 3.41Å; G124-T128 WeakPolarHBondContact O-CG2 3.48Å; G124-T128 PolarHBondContact O-N 3Å |
| 125 | L | 88 | Confident | 85.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -43.1 | 176.6 | -77.6 | 170.4 | 0 | 0 | 0 | 112.4 | F71 C74 A86 L89 A121 L122 L123 T128 T129 | F71-L125 HydrophobicContact CD2-CD1 3.84Å; F71-L125 HydrophobicContact CE2-CD1 3.71Å; C74-L125 HydrophobicContact CB-CB 3.88Å; A86-L125 HydrophobicContact CB-CD2 4.05Å; L89-L125 HydrophobicContact CB-CD1 4.35Å; L89-L125 HydrophobicContact CB-CD2 3.95Å; L89-L125 HydrophobicContact CB-CG 3.77Å; L89-L125 HydrophobicContact CD1-CD2 4.35Å; L89-L125 HydrophobicContact CD1-CG 4.3Å; A121-L125 PolarHBondContact O-N 2.97Å; L122-L125 PolarHBondContact O-N 3.34Å; L123-L125 PolarHBondContact O-N 2.88Å; L125-T128 PolarHBondContact O-N 3.25Å; L125-T128 PolarHBondContact O-OG1 2.83Å; L125-T129 PolarHBondContact O-N 3.21Å; L125-T129 PolarHBondContact O-OG1 3.38Å |
| 126 | M | 90.3 | Very high | 86.4 | Confident | 70 Ų | 70 | 55.6 Ų | 55.6 | 35% | 0.345 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 176.1 | -72.7 | -172.8 | -64.3 | 0 | 0 | 111.4 | L122 L123 G124 T128 T129 L130 | L122-M126 HydrophobicContact CG-CE 4.29Å; L122-M126 WeakPolarHBondContact O-CG 3.43Å; L122-M126 PolarHBondContact O-N 3.47Å; L123-M126 HydrophobicContact CB-CE 4.45Å; L123-M126 HydrophobicContact CD2-CE 3.55Å; L123-M126 HydrophobicContact CG-CE 4.05Å; L123-M126 PolarHBondContact O-N 3.44Å; G124-M126 PolarHBondContact O-N 3.49Å; M126-T128 VanDerWaalsContact C-N 3.35Å; M126-T128 PolarHBondContact O-N 2.9Å; M126-T129 WeakPolarHBondContact O-CB 3.44Å; M126-T129 PolarHBondContact O-N 3.24Å; M126-L130 WeakPolarHBondContact O-CG 3.27Å; M126-L130 PolarHBondContact O-N 3.49Å |
| 127 | L | 89.1 | Confident | 86.9 | Confident | 108 Ų | 108 | 59.4 Ų | 59.4 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.9 | -42.9 | 176.8 | -71.2 | 170 | 0 | 0 | 0 | 111.7 | L123 G124 T129 L130 S131 | L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 VanDerWaalsContact O-CG 3.27Å; L123-L127 WeakPolarHBondContact O-CG 3.33Å; L123-L127 PolarHBondContact O-N 3.28Å; G124-L127 PolarHBondContact O-N 3.41Å; L127-T129 VanDerWaalsContact C-N 3.28Å; L127-T129 PolarHBondContact O-N 2.7Å; L127-L130 PolarHBondContact O-N 2.97Å; L127-S131 PolarHBondContact O-N 3.21Å; L127-S131 PolarHBondContact O-OG 2.97Å; L127-S131 VanDerWaalsContact O-OG 3.09Å |
| 128 | T | 87.4 | Confident | 87 | Confident | 21 Ų | 21 | 58 Ų | 58 | 13% | 0.129 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 177.5 | 62.9 | 0 | 0 | 0 | 0 | 112.3 | L85 L89 G124 L125 M126 Y132 | L85-T128 HydrophobicContact CD2-CG2 3.25Å; L89-T128 HydrophobicContact CD1-CG2 4.45Å; G124-T128 WeakPolarHBondContact O-CG2 3.48Å; G124-T128 PolarHBondContact O-N 3Å; L125-T128 PolarHBondContact O-N 3.25Å; L125-T128 PolarHBondContact O-OG1 2.83Å; M126-T128 VanDerWaalsContact C-N 3.35Å; M126-T128 PolarHBondContact O-N 2.9Å; T128-Y132 PolarHBondContact O-N 3.44Å |
| 129 | T | 89.2 | Confident | 87 | Confident | 16 Ų | 16 | 67.4 Ų | 67.4 | 10% | 0.098 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.8 | -41.9 | 176.6 | -55.4 | 0 | 0 | 0 | 0 | 111 | F73 C74 I77 L125 M126 L127 Y132 G133 | F73-T129 HydrophobicContact CD1-CG2 4.48Å; F73-T129 HydrophobicContact CE1-CG2 3.94Å; C74-T129 WeakPolarHBondContact CA-OG1 3.28Å; C74-T129 PolarHBondContact O-OG1 3.46Å; I77-T129 HydrophobicContact CB-CG2 4.08Å; I77-T129 HydrophobicContact CG2-CG2 3.84Å; L125-T129 PolarHBondContact O-N 3.21Å; L125-T129 PolarHBondContact O-OG1 3.38Å; M126-T129 WeakPolarHBondContact O-CB 3.44Å; M126-T129 PolarHBondContact O-N 3.24Å; L127-T129 VanDerWaalsContact C-N 3.28Å; L127-T129 PolarHBondContact O-N 2.7Å; T129-Y132 PolarHBondContact O-N 3.07Å; T129-G133 PolarHBondContact O-N 3.32Å |
| 130 | L | 88.9 | Confident | 85.8 | Confident | 123 Ų | 123 | 66.5 Ų | 66.5 | 64% | 0.644 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.1 | -43.4 | 174.9 | -72 | 171.2 | 0 | 0 | 0 | 111.9 | M126 L127 Y132 G133 G134 | M126-L130 WeakPolarHBondContact O-CG 3.27Å; M126-L130 PolarHBondContact O-N 3.49Å; L127-L130 PolarHBondContact O-N 2.97Å; L130-Y132 VanDerWaalsContact C-N 3.3Å; L130-Y132 PolarHBondContact O-N 3.03Å; L130-G133 PolarHBondContact O-N 2.85Å; L130-G134 PolarHBondContact O-N 3.44Å |
| 131 | S | 86.3 | Confident | 84.1 | Confident | 78 Ų | 78 | 64 Ų | 64 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 175.3 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | L127 G134 H135 | L127-S131 PolarHBondContact O-N 3.21Å; L127-S131 PolarHBondContact O-OG 2.97Å; L127-S131 VanDerWaalsContact O-OG 3.09Å; S131-G134 PolarHBondContact O-N 3.2Å; S131-H135 PolarHBondContact O-N 3.45Å |
| 132 | Y | 86.5 | Confident | 82.3 | Confident | 47 Ų | 47 | 69.9 Ų | 69.9 | 18% | 0.184 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.9 | -43 | 174.4 | -179.7 | -123.8 | 0 | 0 | 0 | 112.2 | I77 L80 H81 T128 T129 L130 G134 H135 L136 | I77-Y132 HydrophobicContact CG2-CD1 3.75Å; I77-Y132 HydrophobicContact CG2-CE1 4.08Å; L80-Y132 HydrophobicContact CB-CE1 4.33Å; L80-Y132 HydrophobicContact CD1-CE1 4.35Å; H81-Y132 HydrophobicContact CB-CD2 3.49Å; H81-Y132 VanDerWaalsContact CB-CD2 3.49Å; H81-Y132 HydrophobicContact CB-CE2 4.12Å; H81-Y132 HydrophobicContact CB-CG 3.87Å; H81-Y132 AromaticContact CG-CD2 3.71Å; H81-Y132 AromaticContact ND1-CD2 3.91Å; T128-Y132 PolarHBondContact O-N 3.44Å; T129-Y132 PolarHBondContact O-N 3.07Å; L130-Y132 VanDerWaalsContact C-N 3.3Å; L130-Y132 PolarHBondContact O-N 3.03Å; Y132-G134 VanDerWaalsContact C-N 3.35Å; Y132-G134 PolarHBondContact O-N 2.93Å; Y132-H135 WeakPolarHBondContact O-CB 3.44Å; Y132-H135 PolarHBondContact O-N 3.35Å; Y132-L136 HydrophobicContact CD1-CD1 4.14Å; Y132-L136 HydrophobicContact CD2-CG 4.44Å; Y132-L136 HydrophobicContact CE1-CD1 3.71Å; Y132-L136 HydrophobicContact CE1-CG 4.39Å; Y132-L136 HydrophobicContact CE2-CD1 4.32Å; Y132-L136 HydrophobicContact CE2-CD2 4.15Å; Y132-L136 HydrophobicContact CE2-CG 4.12Å; Y132-L136 WeakPolarHBondContact O-CG 3.39Å; Y132-L136 PolarHBondContact O-N 3.09Å |
| 133 | G | 88.2 | Confident | 80.7 | Confident | 28 Ų | 28 | 75.6 Ų | 75.6 | 29% | 0.289 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T129 L130 H135 L136 L137 | T129-G133 PolarHBondContact O-N 3.32Å; L130-G133 PolarHBondContact O-N 2.85Å; G133-H135 VanDerWaalsContact C-N 3.34Å; G133-H135 PolarHBondContact O-N 3.45Å; G133-L136 PolarHBondContact O-N 3.44Å; G133-L137 WeakPolarHBondContact O-CG 3.19Å; G133-L137 PolarHBondContact O-N 3.17Å |
| 134 | G | 87.4 | Confident | 78.3 | Confident | 12 Ų | 12 | 81.8 Ų | 81.8 | 12% | 0.124 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.3 | -36.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L130 S131 Y132 L137 G138 W139 | L130-G134 PolarHBondContact O-N 3.44Å; S131-G134 PolarHBondContact O-N 3.2Å; Y132-G134 VanDerWaalsContact C-N 3.35Å; Y132-G134 PolarHBondContact O-N 2.93Å; G134-L137 PolarHBondContact O-N 3.47Å; G134-G138 PolarHBondContact O-N 3.16Å; G134-W139 PolarHBondContact O-N 2.98Å |
| 135 | H | 84.1 | Confident | 76.1 | Confident | 106 Ų | 106 | 86.9 Ų | 86.9 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 173.4 | -177.7 | -87.7 | 0 | 0 | 0 | 111.6 | S131 Y132 G133 L137 G138 | S131-H135 PolarHBondContact O-N 3.45Å; Y132-H135 WeakPolarHBondContact O-CB 3.44Å; Y132-H135 PolarHBondContact O-N 3.35Å; G133-H135 VanDerWaalsContact C-N 3.34Å; G133-H135 PolarHBondContact O-N 3.45Å; H135-L137 VanDerWaalsContact C-N 3.32Å; H135-L137 PolarHBondContact O-N 2.89Å; H135-G138 PolarHBondContact O-N 3.06Å |
| 136 | L | 85.9 | Confident | 73.9 | Confident | 114 Ų | 114 | 97 Ų | 97 | 60% | 0.597 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.5 | -34.9 | 177.1 | -69.8 | 175.4 | 0 | 0 | 0 | 113.1 | Y132 G133 G138 | Y132-L136 HydrophobicContact CD1-CD1 4.14Å; Y132-L136 HydrophobicContact CD2-CG 4.44Å; Y132-L136 HydrophobicContact CE1-CD1 3.71Å; Y132-L136 HydrophobicContact CE1-CG 4.39Å; Y132-L136 HydrophobicContact CE2-CD1 4.32Å; Y132-L136 HydrophobicContact CE2-CD2 4.15Å; Y132-L136 HydrophobicContact CE2-CG 4.12Å; Y132-L136 WeakPolarHBondContact O-CG 3.39Å; Y132-L136 PolarHBondContact O-N 3.09Å; G133-L136 PolarHBondContact O-N 3.44Å; L136-G138 PolarHBondContact O-N 3.28Å |
| 137 | L | 89.9 | Confident | 71.6 | Confident | 111 Ų | 111 | 100.7 Ų | 100.7 | 58% | 0.581 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -1.6 | 177.3 | -67.3 | 169.8 | 0 | 0 | 0 | 113.3 | G133 G134 H135 W139 | G133-L137 WeakPolarHBondContact O-CG 3.19Å; G133-L137 PolarHBondContact O-N 3.17Å; G134-L137 PolarHBondContact O-N 3.47Å; H135-L137 VanDerWaalsContact C-N 3.32Å; H135-L137 PolarHBondContact O-N 2.89Å; L137-W139 HydrophobicContact CB-CD2 4.15Å; L137-W139 HydrophobicContact CB-CG 4.17Å; L137-W139 HydrophobicContact CD1-CD2 4.26Å; L137-W139 HydrophobicContact CD1-CE3 4.37Å; L137-W139 HydrophobicContact CD1-CH2 3.82Å; L137-W139 HydrophobicContact CD1-CZ2 3.68Å; L137-W139 HydrophobicContact CD1-CZ3 4.16Å; L137-W139 PolarHBondContact O-N 3.35Å |
| 138 | G | 82.3 | Confident | 69.4 | Low | 53 Ų | 53 | 104.2 Ų | 104.2 | 55% | 0.546 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 69 | 17.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G134 H135 L136 A140 | G134-G138 PolarHBondContact O-N 3.16Å; H135-G138 PolarHBondContact O-N 3.06Å; L136-G138 PolarHBondContact O-N 3.28Å; G138-A140 PolarHBondContact O-N 3.33Å |
| 139 | W | 79 | Confident | 67.3 | Low | 200 Ų | 200 | 107.5 Ų | 107.5 | 76% | 0.758 | 60% | 0.6 | S | S | * | * | trans | -69.2 | -19.3 | 176.3 | -67.9 | -10.1 | 0 | 0 | 0 | 112.6 | G134 L137 G141 | G134-W139 PolarHBondContact O-N 2.98Å; L137-W139 HydrophobicContact CB-CD2 4.15Å; L137-W139 HydrophobicContact CB-CG 4.17Å; L137-W139 HydrophobicContact CD1-CD2 4.26Å; L137-W139 HydrophobicContact CD1-CE3 4.37Å; L137-W139 HydrophobicContact CD1-CH2 3.82Å; L137-W139 HydrophobicContact CD1-CZ2 3.68Å; L137-W139 HydrophobicContact CD1-CZ3 4.16Å; L137-W139 PolarHBondContact O-N 3.35Å; W139-G141 PolarHBondContact O-N 3.27Å | ||
| 140 | A | 59.4 | Low | 64.9 | Low | 68 Ų | 68 | 110.4 Ų | 110.4 | 56% | 0.562 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -72.6 | 92.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | G138 | G138-A140 PolarHBondContact O-N 3.33Š|
| 141 | G | 52 | Low | 62.5 | Low | 52 Ų | 52 | 109.2 Ų | 109.2 | 54% | 0.536 | 63% | 0.634 | S | S | . | * | trans | -55.4 | 172.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | W139 T143 | W139-G141 PolarHBondContact O-N 3.27Å; G141-T143 PolarHBondContact O-N 3.47Å | ||
| 142 | P | 48.2 | Very low | 60.1 | Low | 128 Ų | 128 | 110.6 Ų | 110.6 | 83% | 0.831 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -53.1 | 126.9 | -165.7 | 22.6 | -32.6 | 0 | 0 | 0 | 110.9 | R144 | P142-R144 PolarHBondContact O-N 3.04Š|
| 143 | T | 54.2 | Low | 58 | Low | 140 Ų | 140 | 113 Ų | 113 | 86% | 0.859 | 67% | 0.666 | S | S | * | * | trans | -42.8 | 105.5 | 172 | 23.8 | 0 | 0 | 0 | 0 | 110.1 | G141 | G141-T143 PolarHBondContact O-N 3.47Š| ||
| 144 | R | 40.1 | Very low | 55.6 | Low | 226 Ų | 226 | 122.9 Ų | 122.9 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | trans | -57.4 | 133.4 | 159 | -78.6 | -172.9 | -175.9 | -171 | 1.8 | 106.9 | P142 R146 | P142-R144 PolarHBondContact O-N 3.04Å; R144-R146 PolarHBondContact O-N 3.12Å | ||
| 145 | P | 41.3 | Very low | 54 | Low | 124 Ų | 124 | 128.5 Ų | 128.5 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | trans | -62.8 | 111.8 | 175.2 | 25.9 | -30.3 | 0 | 0 | 0 | 107.7 | L147 | P145-L147 PolarHBondContact O-N 2.99Š| ||
| 146 | R | 42.5 | Very low | 52.4 | Low | 213 Ų | 213 | 129.6 Ų | 129.6 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -74.4 | 95 | 171.9 | -79.2 | -173.5 | -177.3 | -177.1 | 1.4 | 108.3 | R144 | R144-R146 PolarHBondContact O-N 3.12Š| ||
| 147 | L | 41.6 | Very low | 50.6 | Low | 147 Ų | 147 | 130.5 Ų | 130.5 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -48.3 | 134.3 | 133.2 | -106.7 | 84.8 | 0 | 0 | 0 | 106.8 | P145 | P145-L147 PolarHBondContact O-N 2.99Š|
| 148 | F | 42.6 | Very low | 48.2 | Very low | 181 Ų | 181 | 131.6 Ų | 131.6 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 88.2 | 98 | -173.5 | -59.4 | -78.8 | 0 | 0 | 0 | 115.2 | A150 | F148-A150 PolarHBondContact O-N 2.9Å; F148-A150 VanDerWaalsContact O-N 3.12Å |
| 149 | G | 44.1 | Very low | 46.1 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 94% | 0.938 | 78% | 0.778 | S | S | * | * | trans | -62.7 | 103.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 150 | A | 38 | Very low | 43.9 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 63% | 0.628 | 78% | 0.78 | S | S | * | * | trans | -119.3 | 122.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | F148 S152 | F148-A150 PolarHBondContact O-N 2.9Å; F148-A150 VanDerWaalsContact O-N 3.12Å; A150-S152 PolarHBondContact O-N 3.23Å | ||
| 151 | A | 39.3 | Very low | 42.8 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -40 | 127.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | C153 | A151-C153 PolarHBondContact O-N 3.05Å; A151-C153 VanDerWaalsContact O-N 3.16Å | ||
| 152 | S | 36.4 | Very low | 42.1 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | trans | -49.3 | 117.3 | 161.6 | -65.6 | 0 | 0 | 0 | 0 | 109.8 | A150 | A150-S152 PolarHBondContact O-N 3.23Š| ||
| 153 | C | 41.2 | Very low | 41.6 | Very low | 98 Ų | 98 | 144.8 Ų | 144.8 | 66% | 0.662 | 81% | 0.814 | S | S | * | * | trans | -76.5 | 117.8 | 143.6 | -74.1 | 0 | 0 | 0 | 0 | 105.4 | A151 | A151-C153 PolarHBondContact O-N 3.05Å; A151-C153 VanDerWaalsContact O-N 3.16Å | ||
| 154 | H | 38.1 | Very low | 40.5 | Very low | 236 Ų | 236 | 145.2 Ų | 145.2 | 100% | 1.093 | 81% | 0.81 | S | S | * | * | trans | -54.8 | 0 | 178.6 | -84.9 | -84 | 0 | 0 | 0 | 112.6 |
Retrieved 154 of 154 residues in 58.6 ms
(Link to these results)