| 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 | 37.8 | Very low | 58.6 | Low | 239 Ų | 239 | 114.7 Ų | 114.7 | 100% | 1.177 | 62% | 0.616 | S | S | * | * | 0 | 96.1 | 0 | -151.2 | 110.7 | 90.9 | 0 | 0 | 105.7 | E3 | M1-E3 PolarHBondContact O-N 2.95Š| |||
| 2 | S | 36.1 | Very low | 60.9 | Low | 115 Ų | 115 | 108.6 Ų | 108.6 | 80% | 0.804 | 59% | 0.589 | S | S | * | * | trans | -68.8 | 110.6 | -179.3 | 51.7 | 0 | 0 | 0 | 0 | 108.1 | S4 | S2-S4 VanDerWaalsContact C-N 3.33Å; S2-S4 PolarHBondContact O-N 3.01Å | ||
| 3 | E | 42.8 | Very low | 63.2 | Low | 193 Ų | 193 | 109.7 Ų | 109.7 | 90% | 0.902 | 59% | 0.585 | S | S | * | * | trans | -56.7 | 101.5 | 166.5 | -75.7 | 177.4 | 150.6 | 0 | 0 | 107.2 | M1 K5 | M1-E3 PolarHBondContact O-N 2.95Å; E3-K5 PolarHBondContact O-N 3.5Å | ||
| 4 | S | 43.7 | Very low | 65.2 | Low | 98 Ų | 98 | 105.4 Ų | 105.4 | 69% | 0.685 | 56% | 0.559 | S | S | * | * | trans | -66.9 | 103 | 171.3 | 55.9 | 0 | 0 | 0 | 0 | 106.5 | S2 S6 | S2-S4 VanDerWaalsContact C-N 3.33Å; S2-S4 PolarHBondContact O-N 3.01Å; S4-S6 PolarHBondContact O-N 3.47Å; S4-S6 PolarHBondContact O-OG 2.74Å | ||
| 5 | K | 51.7 | Low | 67 | Low | 136 Ų | 136 | 98.3 Ų | 98.3 | 59% | 0.591 | 52% | 0.521 | S | S | * | . | trans | -42.8 | 115.4 | 163 | -78.6 | -176.4 | 177.2 | 179.3 | 0 | 107.2 | E3 G7 E9 | E3-K5 PolarHBondContact O-N 3.5Å; K5-G7 PolarHBondContact O-N 3.28Å; K5-E9 HydrophobicContact CD-CG 4.15Å; K5-E9 IonicContact NZ-OE1 2.69Å; K5-E9 PolarHBondContact NZ-OE1 2.81Å | ||
| 6 | S | 55.1 | Low | 68.6 | Low | 116 Ų | 116 | 96.6 Ų | 96.6 | 81% | 0.811 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -73.8 | 4.3 | -170 | -64.9 | 0 | 0 | 0 | 0 | 113.1 | S4 | S4-S6 PolarHBondContact O-N 3.47Å; S4-S6 PolarHBondContact O-OG 2.74Å |
| 7 | G | 60.9 | Low | 70.2 | Confident | 20 Ų | 20 | 96.1 Ų | 96.1 | 21% | 0.206 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -143.6 | 157.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K5 | K5-G7 PolarHBondContact O-N 3.28Š|
| 8 | P | 75.5 | Confident | 71.6 | Confident | 49 Ų | 49 | 90.7 Ų | 90.7 | 32% | 0.318 | 48% | 0.482 | S | S | . | . | trans | -62.2 | 145 | 173.2 | 23.8 | -30.2 | 0 | 0 | 0 | 111.2 | Y10 A11 L86 | P8-Y10 HydrophobicContact CB-CD1 3.64Å; P8-Y10 HydrophobicContact CB-CD2 4.39Å; P8-Y10 HydrophobicContact CB-CE1 3.24Å; P8-Y10 HydrophobicContact CB-CE2 4.07Å; P8-Y10 HydrophobicContact CB-CG 4.2Å; P8-Y10 VanDerWaalsContact CB-CZ 3.47Å; P8-Y10 HydrophobicContact CG-CD1 4.43Å; P8-Y10 HydrophobicContact CG-CD2 4.35Å; P8-Y10 HydrophobicContact CG-CE1 3.91Å; P8-Y10 HydrophobicContact CG-CE2 3.83Å; P8-Y10 PolarHBondContact O-N 3.31Å; P8-A11 WeakPolarHBondContact O-CB 3.4Å; P8-A11 PolarHBondContact O-N 3.39Å; P8-L86 HydrophobicContact CG-CD1 3.67Å | ||
| 9 | E | 75 | Confident | 72.9 | Confident | 153 Ų | 153 | 86.8 Ų | 86.8 | 72% | 0.715 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -23.3 | -177.8 | -61.3 | -167.1 | 149.2 | 0 | 0 | 113.8 | K5 A11 | K5-E9 HydrophobicContact CD-CG 4.15Å; K5-E9 IonicContact NZ-OE1 2.69Å; K5-E9 PolarHBondContact NZ-OE1 2.81Å; E9-A11 PolarHBondContact O-N 3.28Å |
| 10 | Y | 83.2 | Confident | 74.1 | Confident | 141 Ų | 141 | 85.2 Ų | 85.2 | 55% | 0.553 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 1.6 | 176 | 63.2 | -100.6 | 0 | 0 | 0 | 113.8 | P8 S12 F13 F14 L86 | P8-Y10 HydrophobicContact CB-CD1 3.64Å; P8-Y10 HydrophobicContact CB-CD2 4.39Å; P8-Y10 HydrophobicContact CB-CE1 3.24Å; P8-Y10 HydrophobicContact CB-CE2 4.07Å; P8-Y10 HydrophobicContact CB-CG 4.2Å; P8-Y10 VanDerWaalsContact CB-CZ 3.47Å; P8-Y10 HydrophobicContact CG-CD1 4.43Å; P8-Y10 HydrophobicContact CG-CD2 4.35Å; P8-Y10 HydrophobicContact CG-CE1 3.91Å; P8-Y10 HydrophobicContact CG-CE2 3.83Å; P8-Y10 PolarHBondContact O-N 3.31Å; Y10-S12 PolarHBondContact O-N 3.4Å; Y10-F13 WeakPolarHBondContact O-CB 3.05Å; Y10-F13 PolarHBondContact O-N 3.44Å; Y10-F14 AromaticContact CD2-CE2 3.9Å; Y10-F14 HydrophobicContact CD2-CE2 3.9Å; Y10-F14 HydrophobicContact CE2-CE2 4.25Å; Y10-L86 HydrophobicContact CD2-CD1 4.12Å; Y10-L86 HydrophobicContact CE2-CD1 3.45Å; Y10-L86 VanDerWaalsContact CE2-CD1 3.45Å |
| 11 | A | 83.1 | Confident | 75.2 | Confident | 2 Ų | 2 | 81.6 Ų | 81.6 | 2% | 0.017 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P8 E9 F13 F14 I84 S89 | P8-A11 WeakPolarHBondContact O-CB 3.4Å; P8-A11 PolarHBondContact O-N 3.39Å; E9-A11 PolarHBondContact O-N 3.28Å; A11-F13 PolarHBondContact O-N 3.02Å; A11-F14 PolarHBondContact O-N 3.01Å; A11-I84 HydrophobicContact CB-CG2 3.86Å; A11-I84 WeakPolarHBondContact CB-O 3.19Å; A11-S89 WeakPolarHBondContact O-CB 3.5Å; A11-S89 PolarHBondContact O-OG 3.47Å |
| 12 | S | 86.4 | Confident | 78 | Confident | 41 Ų | 41 | 70.2 Ų | 70.2 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.8 | -21.2 | -179.5 | -53.7 | 0 | 0 | 0 | 0 | 113.7 | Y10 F14 A15 V16 I84 | Y10-S12 PolarHBondContact O-N 3.4Å; S12-F14 PolarHBondContact O-N 2.89Å; S12-A15 WeakPolarHBondContact O-CB 3.25Å; S12-A15 PolarHBondContact O-N 3.34Å; S12-V16 WeakPolarHBondContact O-CG2 3.36Å; S12-V16 PolarHBondContact O-N 2.92Å; S12-V16 VanDerWaalsContact O-N 3.1Å; S12-I84 WeakPolarHBondContact OG-CG2 3.42Å |
| 13 | F | 90.6 | Very high | 81 | Confident | 123 Ų | 123 | 67.6 Ų | 67.6 | 54% | 0.539 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 178 | 175.5 | -100.3 | 0 | 0 | 0 | 112 | Y10 A11 A15 V16 M17 | Y10-F13 WeakPolarHBondContact O-CB 3.05Å; Y10-F13 PolarHBondContact O-N 3.44Å; A11-F13 PolarHBondContact O-N 3.02Å; F13-A15 VanDerWaalsContact C-N 3.33Å; F13-A15 PolarHBondContact O-N 3.46Å; F13-V16 PolarHBondContact O-N 3.41Å; F13-M17 HydrophobicContact CD1-CG 4.21Å; F13-M17 HydrophobicContact CD2-CG 4.41Å; F13-M17 HydrophobicContact CE1-CG 3.79Å; F13-M17 HydrophobicContact CE2-CG 4.01Å; F13-M17 HydrophobicContact CE2-SD 4.34Å; F13-M17 HydrophobicContact CG-CG 4.5Å; F13-M17 HydrophobicContact CZ-CG 3.68Å; F13-M17 HydrophobicContact CZ-SD 4.1Å; F13-M17 WeakPolarHBondContact O-CB 3.34Å; F13-M17 VanDerWaalsContact O-CG 3.29Å; F13-M17 WeakPolarHBondContact O-CG 3.44Å; F13-M17 PolarHBondContact O-N 3.44Å |
| 14 | F | 91.6 | Very high | 83.6 | Confident | 49 Ų | 49 | 62.2 Ų | 62.2 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.7 | -35 | -178.1 | -64.5 | -68.4 | 0 | 0 | 0 | 112.6 | Y10 A11 S12 M17 G18 F90 L93 | Y10-F14 AromaticContact CD2-CE2 3.9Å; Y10-F14 HydrophobicContact CD2-CE2 3.9Å; Y10-F14 HydrophobicContact CE2-CE2 4.25Å; A11-F14 PolarHBondContact O-N 3.01Å; S12-F14 PolarHBondContact O-N 2.89Å; F14-M17 PolarHBondContact O-N 3.17Å; F14-G18 PolarHBondContact O-N 2.98Å; F14-F90 HydrophobicContact CB-CD1 4.38Å; F14-F90 HydrophobicContact CD1-CD1 4.29Å; F14-F90 AromaticContact CD1-CE1 3.77Å; F14-F90 HydrophobicContact CD1-CE1 3.77Å; F14-F90 HydrophobicContact CD2-CD1 4.39Å; F14-F90 AromaticContact CD2-CE1 3.83Å; F14-F90 HydrophobicContact CD2-CE1 3.83Å; F14-F90 HydrophobicContact CD2-CZ 4.17Å; F14-F90 AromaticContact CE1-CE1 3.78Å; F14-F90 HydrophobicContact CE1-CE1 3.78Å; F14-F90 HydrophobicContact CE1-CZ 4.45Å; F14-F90 AromaticContact CE2-CE1 3.84Å; F14-F90 HydrophobicContact CE2-CE1 3.84Å; F14-F90 AromaticContact CE2-CZ 3.88Å; F14-F90 HydrophobicContact CE2-CZ 3.88Å; F14-F90 HydrophobicContact CG-CD1 4.11Å; F14-F90 AromaticContact CG-CE1 3.78Å; F14-F90 HydrophobicContact CG-CE1 3.78Å; F14-F90 AromaticContact CZ-CE1 3.82Å; F14-F90 HydrophobicContact CZ-CE1 3.82Å; F14-F90 HydrophobicContact CZ-CZ 4.03Å; F14-L93 HydrophobicContact CB-CB 4.47Å; F14-L93 HydrophobicContact CB-CD2 4.44Å; F14-L93 HydrophobicContact CD1-CD2 3.96Å |
| 15 | A | 91.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62 | -50 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S12 F13 M17 G18 A19 I76 L80 I84 Q92 | S12-A15 WeakPolarHBondContact O-CB 3.25Å; S12-A15 PolarHBondContact O-N 3.34Å; F13-A15 VanDerWaalsContact C-N 3.33Å; F13-A15 PolarHBondContact O-N 3.46Å; A15-M17 VanDerWaalsContact C-N 3.31Å; A15-M17 PolarHBondContact O-N 2.8Å; A15-G18 WeakPolarHBondContact O-CA 3.32Å; A15-G18 PolarHBondContact O-N 3.21Å; A15-A19 PolarHBondContact O-N 3.11Å; A15-I76 WeakPolarHBondContact O-CG2 3.24Å; A15-L80 HydrophobicContact CB-CD2 3.51Å; A15-I84 HydrophobicContact CB-CD1 4.3Å; A15-Q92 HydrophobicContact CB-CB 4.42Å |
| 16 | V | 93.6 | Very high | 88.3 | Confident | 70 Ų | 70 | 54 Ų | 54 | 42% | 0.424 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 178 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | S12 F13 G18 A19 S20 L80 | S12-V16 WeakPolarHBondContact O-CG2 3.36Å; S12-V16 PolarHBondContact O-N 2.92Å; S12-V16 VanDerWaalsContact O-N 3.1Å; F13-V16 PolarHBondContact O-N 3.41Å; V16-G18 VanDerWaalsContact C-N 3.31Å; V16-G18 PolarHBondContact O-N 2.94Å; V16-A19 PolarHBondContact O-N 3.07Å; V16-S20 WeakPolarHBondContact O-CB 3.14Å; V16-S20 PolarHBondContact O-N 3.14Å; V16-S20 PolarHBondContact O-OG 3.48Å; V16-L80 HydrophobicContact CG2-CD1 4.03Å; V16-L80 HydrophobicContact CG2-CD2 4.24Å |
| 17 | M | 95.5 | Very high | 90.4 | Very high | 88 Ų | 88 | 50.4 Ų | 50.4 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 172.1 | -76 | -61.8 | -65.8 | 0 | 0 | 112 | F13 F14 A15 S20 A21 L93 | F13-M17 HydrophobicContact CD1-CG 4.21Å; F13-M17 HydrophobicContact CD2-CG 4.41Å; F13-M17 HydrophobicContact CE1-CG 3.79Å; F13-M17 HydrophobicContact CE2-CG 4.01Å; F13-M17 HydrophobicContact CE2-SD 4.34Å; F13-M17 HydrophobicContact CG-CG 4.5Å; F13-M17 HydrophobicContact CZ-CG 3.68Å; F13-M17 HydrophobicContact CZ-SD 4.1Å; F13-M17 WeakPolarHBondContact O-CB 3.34Å; F13-M17 VanDerWaalsContact O-CG 3.29Å; F13-M17 WeakPolarHBondContact O-CG 3.44Å; F13-M17 PolarHBondContact O-N 3.44Å; F14-M17 PolarHBondContact O-N 3.17Å; A15-M17 VanDerWaalsContact C-N 3.31Å; A15-M17 PolarHBondContact O-N 2.8Å; M17-S20 PolarHBondContact O-N 3.26Å; M17-A21 VanDerWaalsContact O-CB 3.23Å; M17-A21 WeakPolarHBondContact O-CB 3.34Å; M17-A21 PolarHBondContact O-N 3.46Å; M17-L93 HydrophobicContact CB-CD1 3.94Å |
| 18 | G | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.8 | -51.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F14 A15 V16 S20 A21 A22 G96 | F14-G18 PolarHBondContact O-N 2.98Å; A15-G18 WeakPolarHBondContact O-CA 3.32Å; A15-G18 PolarHBondContact O-N 3.21Å; V16-G18 VanDerWaalsContact C-N 3.31Å; V16-G18 PolarHBondContact O-N 2.94Å; G18-S20 VanDerWaalsContact C-N 3.29Å; G18-S20 PolarHBondContact O-N 3.24Å; G18-A21 PolarHBondContact O-N 3.48Å; G18-A22 WeakPolarHBondContact O-CB 3.25Å; G18-A22 PolarHBondContact O-N 3.29Å; G18-G96 WeakPolarHBondContact O-CA 3.29Å |
| 19 | A | 96.3 | Very high | 93.2 | Very high | 17 Ų | 17 | 51.6 Ų | 51.6 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A15 V16 A22 M23 A73 I76 | A15-A19 PolarHBondContact O-N 3.11Å; V16-A19 PolarHBondContact O-N 3.07Å; A19-A22 PolarHBondContact O-N 3.43Å; A19-M23 PolarHBondContact O-N 3.31Å; A19-A73 HydrophobicContact CB-CB 4.38Å; A19-I76 HydrophobicContact CB-CB 4.1Å; A19-I76 HydrophobicContact CB-CD1 4.49Å; A19-I76 HydrophobicContact CB-CG2 3.89Å |
| 20 | S | 97.1 | Very high | 94.2 | Very high | 53 Ų | 53 | 44.7 Ų | 44.7 | 37% | 0.371 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.2 | -46.4 | 177.7 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | V16 M17 G18 A22 M23 V24 | V16-S20 WeakPolarHBondContact O-CB 3.14Å; V16-S20 PolarHBondContact O-N 3.14Å; V16-S20 PolarHBondContact O-OG 3.48Å; M17-S20 PolarHBondContact O-N 3.26Å; G18-S20 VanDerWaalsContact C-N 3.29Å; G18-S20 PolarHBondContact O-N 3.24Å; S20-A22 PolarHBondContact O-N 3.42Å; S20-M23 PolarHBondContact O-N 3.17Å; S20-V24 WeakPolarHBondContact O-CB 3.43Å; S20-V24 VanDerWaalsContact O-CG2 3.28Å; S20-V24 WeakPolarHBondContact O-CG2 3.42Å; S20-V24 PolarHBondContact O-N 3.11Å |
| 21 | A | 96.8 | Very high | 95 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M17 G18 M23 F25 L97 | M17-A21 VanDerWaalsContact O-CB 3.23Å; M17-A21 WeakPolarHBondContact O-CB 3.34Å; M17-A21 PolarHBondContact O-N 3.46Å; G18-A21 PolarHBondContact O-N 3.48Å; A21-M23 VanDerWaalsContact C-N 3.32Å; A21-M23 PolarHBondContact O-N 2.91Å; A21-F25 HydrophobicContact CB-CD2 4.1Å; A21-F25 HydrophobicContact CB-CE2 4.06Å; A21-F25 VanDerWaalsContact O-CD2 3.24Å; A21-F25 WeakPolarHBondContact O-CD2 3.36Å; A21-F25 PolarHBondContact O-N 3.11Å; A21-L97 HydrophobicContact CB-CD2 3.89Å; A21-L97 HydrophobicContact CB-CG 4.34Å |
| 22 | A | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.4 | -48.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | G18 A19 S20 S26 V72 A73 G96 V99 | G18-A22 WeakPolarHBondContact O-CB 3.25Å; G18-A22 PolarHBondContact O-N 3.29Å; A19-A22 PolarHBondContact O-N 3.43Å; S20-A22 PolarHBondContact O-N 3.42Å; A22-S26 WeakPolarHBondContact O-CB 3.49Å; A22-S26 PolarHBondContact O-N 2.94Å; A22-S26 PolarHBondContact O-OG 2.78Å; A22-V72 HydrophobicContact CB-CB 4.45Å; A22-V72 HydrophobicContact CB-CG1 4.27Å; A22-A73 HydrophobicContact CB-CB 4.42Å; A22-G96 WeakPolarHBondContact CA-O 3.21Å; A22-V99 HydrophobicContact CB-CG1 3.78Å |
| 23 | M | 97.4 | Very high | 96.2 | Very high | 59 Ų | 59 | 42 Ų | 42 | 29% | 0.291 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -74.4 | -49 | -177.2 | -168.8 | 65.9 | -99.2 | 0 | 0 | 112.1 | A19 S20 A21 A27 L70 A73 | A19-M23 PolarHBondContact O-N 3.31Å; S20-M23 PolarHBondContact O-N 3.17Å; A21-M23 VanDerWaalsContact C-N 3.32Å; A21-M23 PolarHBondContact O-N 2.91Å; M23-A27 HydrophobicContact CE-CB 4Å; M23-A27 WeakPolarHBondContact O-CB 3.48Å; M23-A27 PolarHBondContact O-N 3.03Å; M23-L70 HydrophobicContact SD-CB 4.09Å; M23-L70 HydrophobicContact SD-CD1 4.19Å; M23-A73 HydrophobicContact CB-CB 4.46Å |
| 24 | V | 98.2 | Very high | 96.5 | Very high | 80 Ų | 80 | 38.7 Ų | 38.7 | 49% | 0.485 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.2 | -50.6 | -174 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | S20 A27 L28 | S20-V24 WeakPolarHBondContact O-CB 3.43Å; S20-V24 VanDerWaalsContact O-CG2 3.28Å; S20-V24 WeakPolarHBondContact O-CG2 3.42Å; S20-V24 PolarHBondContact O-N 3.11Å; V24-A27 PolarHBondContact O-N 3.01Å; V24-L28 HydrophobicContact CG1-CD1 4.05Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.46Å; V24-L28 PolarHBondContact O-N 3.35Å |
| 25 | F | 97.6 | Very high | 96.8 | Very high | 63 Ų | 63 | 39.2 Ų | 39.2 | 28% | 0.276 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71.1 | -37 | -176.7 | -66.3 | -56.7 | 0 | 0 | 0 | 112.6 | A21 L28 G29 L97 G100 L101 L104 | A21-F25 HydrophobicContact CB-CD2 4.1Å; A21-F25 HydrophobicContact CB-CE2 4.06Å; A21-F25 VanDerWaalsContact O-CD2 3.24Å; A21-F25 WeakPolarHBondContact O-CD2 3.36Å; A21-F25 PolarHBondContact O-N 3.11Å; F25-L28 HydrophobicContact CD1-CD1 4.36Å; F25-L28 PolarHBondContact O-N 3.24Å; F25-G29 PolarHBondContact O-N 3.37Å; F25-L97 HydrophobicContact CE2-CD2 4.01Å; F25-G100 CarbonylContact C-O 3.37Å; F25-G100 WeakPolarHBondContact CB-O 3.43Å; F25-L101 HydrophobicContact CD1-CD2 4.18Å; F25-L101 HydrophobicContact CD2-CD2 4Å; F25-L101 HydrophobicContact CD2-CG 4.44Å; F25-L101 HydrophobicContact CE1-CD2 4.29Å; F25-L101 HydrophobicContact CE2-CD2 4.12Å; F25-L101 HydrophobicContact CG-CD2 4.04Å; F25-L101 HydrophobicContact CZ-CD2 4.27Å; F25-L104 HydrophobicContact CB-CB 4.48Å; F25-L104 HydrophobicContact CD1-CD2 4.3Å |
| 26 | S | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 174.6 | -55 | 0 | 0 | 0 | 0 | 111.8 | A22 G29 A30 G69 | A22-S26 WeakPolarHBondContact O-CB 3.49Å; A22-S26 PolarHBondContact O-N 2.94Å; A22-S26 PolarHBondContact O-OG 2.78Å; S26-G29 PolarHBondContact O-N 3.26Å; S26-A30 WeakPolarHBondContact O-CB 3.36Å; S26-A30 PolarHBondContact O-N 3.21Å; S26-G69 WeakPolarHBondContact OG-CA 3.5Å |
| 27 | A | 97.8 | Very high | 97.1 | Very high | 40 Ų | 40 | 39.2 Ų | 39.2 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | M23 V24 A30 A31 | M23-A27 HydrophobicContact CE-CB 4Å; M23-A27 WeakPolarHBondContact O-CB 3.48Å; M23-A27 PolarHBondContact O-N 3.03Å; V24-A27 PolarHBondContact O-N 3.01Å; A27-A30 PolarHBondContact O-N 3.39Å; A27-A31 WeakPolarHBondContact O-CB 3.18Å; A27-A31 PolarHBondContact O-N 2.96Å |
| 28 | L | 98 | Very high | 97.1 | Very high | 93 Ų | 93 | 36.4 Ų | 36.4 | 49% | 0.487 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.1 | -74.9 | 171.9 | 0 | 0 | 0 | 111.6 | V24 F25 A31 Y32 L104 | V24-L28 HydrophobicContact CG1-CD1 4.05Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.46Å; V24-L28 PolarHBondContact O-N 3.35Å; F25-L28 HydrophobicContact CD1-CD1 4.36Å; F25-L28 PolarHBondContact O-N 3.24Å; L28-A31 PolarHBondContact O-N 3.04Å; L28-Y32 WeakPolarHBondContact O-CB 3.26Å; L28-Y32 PolarHBondContact O-N 2.86Å; L28-L104 HydrophobicContact CB-CD1 3.83Å |
| 29 | G | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -50.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F25 S26 A31 Y32 G33 G107 | F25-G29 PolarHBondContact O-N 3.37Å; S26-G29 PolarHBondContact O-N 3.26Å; G29-A31 PolarHBondContact O-N 3.13Å; G29-Y32 PolarHBondContact O-N 3.4Å; G29-G33 PolarHBondContact O-N 2.8Å; G29-G107 WeakPolarHBondContact O-CA 3.36Å |
| 30 | A | 97.7 | Very high | 97.1 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 7% | 0.074 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S26 A27 G33 T34 A62 A66 | S26-A30 WeakPolarHBondContact O-CB 3.36Å; S26-A30 PolarHBondContact O-N 3.21Å; A27-A30 PolarHBondContact O-N 3.39Å; A30-G33 PolarHBondContact O-N 3.1Å; A30-T34 VanDerWaalsContact O-CB 3.25Å; A30-T34 WeakPolarHBondContact O-CB 3.25Å; A30-T34 PolarHBondContact O-N 3.39Å; A30-T34 PolarHBondContact O-OG1 2.93Å; A30-A62 WeakPolarHBondContact CA-O 3.26Å; A30-A62 WeakPolarHBondContact CB-O 3.29Å; A30-A66 HydrophobicContact CB-CB 3.79Å |
| 31 | A | 98.2 | Very high | 97 | Very high | 57 Ų | 57 | 37.6 Ų | 37.6 | 47% | 0.471 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.9 | -45.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A27 L28 G29 T34 A35 | A27-A31 WeakPolarHBondContact O-CB 3.18Å; A27-A31 PolarHBondContact O-N 2.96Å; L28-A31 PolarHBondContact O-N 3.04Å; G29-A31 PolarHBondContact O-N 3.13Å; A31-T34 PolarHBondContact O-N 3.49Å; A31-A35 VanDerWaalsContact O-CB 3.26Å; A31-A35 WeakPolarHBondContact O-CB 3.21Å; A31-A35 PolarHBondContact O-N 2.74Å |
| 32 | Y | 98 | Very high | 96.9 | Very high | 69 Ų | 69 | 39.8 Ų | 39.8 | 27% | 0.271 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 176 | -178.9 | -89.9 | 0 | 0 | 0 | 111.8 | L28 G29 T34 A35 K36 F108 I112 | L28-Y32 WeakPolarHBondContact O-CB 3.26Å; L28-Y32 PolarHBondContact O-N 2.86Å; G29-Y32 PolarHBondContact O-N 3.4Å; Y32-T34 VanDerWaalsContact C-N 3.3Å; Y32-T34 PolarHBondContact O-N 2.93Å; Y32-A35 PolarHBondContact O-N 3.45Å; Y32-K36 HydrophobicContact CD1-CG 4.18Å; Y32-K36 HydrophobicContact CD2-CG 4.31Å; Y32-K36 HydrophobicContact CE1-CG 3.67Å; Y32-K36 HydrophobicContact CE2-CD 4.21Å; Y32-K36 HydrophobicContact CE2-CG 3.81Å; Y32-K36 HydrophobicContact CG-CG 4.48Å; Y32-K36 VanDerWaalsContact CZ-CG 3.48Å; Y32-K36 PolarHBondContact O-N 2.85Å; Y32-F108 HydrophobicContact CD1-CB 4.42Å; Y32-F108 AromaticContact CD1-CD1 3.46Å; Y32-F108 HydrophobicContact CD1-CD1 3.46Å; Y32-F108 VanDerWaalsContact CD1-CD1 3.46Å; Y32-F108 AromaticContact CD1-CE1 3.81Å; Y32-F108 HydrophobicContact CD1-CE1 3.81Å; Y32-F108 HydrophobicContact CD1-CG 4.01Å; Y32-F108 HydrophobicContact CD2-CD1 4.19Å; Y32-F108 AromaticContact CD2-CE1 3.68Å; Y32-F108 HydrophobicContact CD2-CE1 3.68Å; Y32-F108 HydrophobicContact CD2-CZ 4.31Å; Y32-F108 HydrophobicContact CE1-CB 4.36Å; Y32-F108 AromaticContact CE1-CD1 3.21Å; Y32-F108 HydrophobicContact CE1-CD1 3.21Å; Y32-F108 AromaticContact CE1-CE1 3.71Å; Y32-F108 HydrophobicContact CE1-CE1 3.71Å; Y32-F108 HydrophobicContact CE1-CG 4.06Å; Y32-F108 AromaticContact CE2-CD1 3.99Å; Y32-F108 HydrophobicContact CE2-CD1 3.99Å; Y32-F108 AromaticContact CE2-CE1 3.57Å; Y32-F108 HydrophobicContact CE2-CE1 3.57Å; Y32-F108 AromaticContact CG-CD1 3.94Å; Y32-F108 HydrophobicContact CG-CD1 3.94Å; Y32-F108 AromaticContact CG-CE1 3.78Å; Y32-F108 HydrophobicContact CG-CE1 3.78Å; Y32-F108 HydrophobicContact CG-CZ 4.33Å; Y32-F108 AromaticContact CZ-CD1 3.49Å; Y32-F108 VanDerWaalsContact CZ-CD1 3.49Å; Y32-F108 AromaticContact CZ-CE1 3.57Å; Y32-I112 HydrophobicContact CE1-CG1 4.25Å |
| 33 | G | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.3 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G29 A30 S37 G107 | G29-G33 PolarHBondContact O-N 2.8Å; A30-G33 PolarHBondContact O-N 3.1Å; G33-S37 WeakPolarHBondContact O-CB 3.35Å; G33-S37 PolarHBondContact O-N 3.24Å; G33-S37 VanDerWaalsContact O-N 3.1Å; G33-S37 PolarHBondContact O-OG 3.25Å; G33-G107 WeakPolarHBondContact CA-O 3.48Å |
| 34 | T | 97.5 | Very high | 96.5 | Very high | 55 Ų | 55 | 39.4 Ų | 39.4 | 34% | 0.337 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.1 | -45.3 | 176.2 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | A30 A31 Y32 G38 V59 | A30-T34 VanDerWaalsContact O-CB 3.25Å; A30-T34 WeakPolarHBondContact O-CB 3.25Å; A30-T34 PolarHBondContact O-N 3.39Å; A30-T34 PolarHBondContact O-OG1 2.93Å; A31-T34 PolarHBondContact O-N 3.49Å; Y32-T34 VanDerWaalsContact C-N 3.3Å; Y32-T34 PolarHBondContact O-N 2.93Å; T34-G38 WeakPolarHBondContact O-CA 3.07Å; T34-G38 PolarHBondContact O-N 3.09Å; T34-V59 HydrophobicContact CG2-CG1 3.97Å |
| 35 | A | 97.8 | Very high | 96.2 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 49% | 0.488 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -51.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | A31 Y32 G38 T39 | A31-A35 VanDerWaalsContact O-CB 3.26Å; A31-A35 WeakPolarHBondContact O-CB 3.21Å; A31-A35 PolarHBondContact O-N 2.74Å; Y32-A35 PolarHBondContact O-N 3.45Å; A35-G38 PolarHBondContact O-N 2.8Å; A35-T39 WeakPolarHBondContact O-CG2 3.26Å; A35-T39 PolarHBondContact O-N 3.24Å; A35-T39 PolarHBondContact O-OG1 2.98Å |
| 36 | K | 97 | Very high | 95.9 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.9 | -49.4 | -178.2 | -67 | -69.7 | -78 | 163.9 | 0 | 111.7 | Y32 G38 T39 G40 G111 D115 | Y32-K36 HydrophobicContact CD1-CG 4.18Å; Y32-K36 HydrophobicContact CD2-CG 4.31Å; Y32-K36 HydrophobicContact CE1-CG 3.67Å; Y32-K36 HydrophobicContact CE2-CD 4.21Å; Y32-K36 HydrophobicContact CE2-CG 3.81Å; Y32-K36 HydrophobicContact CG-CG 4.48Å; Y32-K36 VanDerWaalsContact CZ-CG 3.48Å; Y32-K36 PolarHBondContact O-N 2.85Å; K36-G38 VanDerWaalsContact C-N 3.29Å; K36-G38 PolarHBondContact O-N 3.27Å; K36-T39 PolarHBondContact O-N 3.42Å; K36-T39 PolarHBondContact O-OG1 3.41Å; K36-G40 PolarHBondContact O-N 3.06Å; K36-G111 WeakPolarHBondContact CB-O 3.34Å; K36-D115 IonicContact NZ-OD2 3.97Å |
| 37 | S | 95.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 177.1 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | G33 T39 G40 I41 | G33-S37 WeakPolarHBondContact O-CB 3.35Å; G33-S37 PolarHBondContact O-N 3.24Å; G33-S37 VanDerWaalsContact O-N 3.1Å; G33-S37 PolarHBondContact O-OG 3.25Å; S37-T39 PolarHBondContact O-N 3.41Å; S37-G40 PolarHBondContact O-N 3.37Å; S37-I41 VanDerWaalsContact O-CG1 3.26Å; S37-I41 WeakPolarHBondContact O-CG1 3.07Å; S37-I41 PolarHBondContact O-N 3.09Å |
| 38 | G | 95.7 | Very high | 95.3 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T34 A35 K36 G40 I41 A42 | T34-G38 WeakPolarHBondContact O-CA 3.07Å; T34-G38 PolarHBondContact O-N 3.09Å; A35-G38 PolarHBondContact O-N 2.8Å; K36-G38 VanDerWaalsContact C-N 3.29Å; K36-G38 PolarHBondContact O-N 3.27Å; G38-G40 VanDerWaalsContact C-N 3.32Å; G38-G40 PolarHBondContact O-N 2.88Å; G38-I41 PolarHBondContact O-N 3.29Å; G38-A42 WeakPolarHBondContact O-CB 3.26Å; G38-A42 PolarHBondContact O-N 3.33Å |
| 39 | T | 95.9 | Very high | 94.9 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 46% | 0.46 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 174.6 | 59.6 | 0 | 0 | 0 | 0 | 112.7 | A35 K36 S37 A43 | A35-T39 WeakPolarHBondContact O-CG2 3.26Å; A35-T39 PolarHBondContact O-N 3.24Å; A35-T39 PolarHBondContact O-OG1 2.98Å; K36-T39 PolarHBondContact O-N 3.42Å; K36-T39 PolarHBondContact O-OG1 3.41Å; S37-T39 PolarHBondContact O-N 3.41Å; T39-A43 WeakPolarHBondContact O-CB 3.33Å; T39-A43 PolarHBondContact O-N 3.44Å |
| 40 | G | 93.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.4 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K36 S37 G38 A43 M44 D115 | K36-G40 PolarHBondContact O-N 3.06Å; S37-G40 PolarHBondContact O-N 3.37Å; G38-G40 VanDerWaalsContact C-N 3.32Å; G38-G40 PolarHBondContact O-N 2.88Å; G40-A43 PolarHBondContact O-N 2.93Å; G40-M44 VanDerWaalsContact O-CB 3.32Å; G40-M44 WeakPolarHBondContact O-CB 3.41Å; G40-M44 PolarHBondContact O-N 2.75Å; G40-D115 WeakPolarHBondContact CA-OD1 3.28Å; G40-D115 PolarHBondContact N-OD1 3.36Å |
| 41 | I | 95.2 | Very high | 94.3 | Very high | 19 Ų | 19 | 56.9 Ų | 56.9 | 10% | 0.097 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 176.8 | -63.5 | 161.4 | 0 | 0 | 0 | 110.2 | S37 G38 A43 M44 S45 S55 V59 V118 | S37-I41 VanDerWaalsContact O-CG1 3.26Å; S37-I41 WeakPolarHBondContact O-CG1 3.07Å; S37-I41 PolarHBondContact O-N 3.09Å; G38-I41 PolarHBondContact O-N 3.29Å; I41-A43 VanDerWaalsContact C-N 3.34Å; I41-A43 PolarHBondContact O-N 3.25Å; I41-M44 PolarHBondContact O-N 2.89Å; I41-S45 VanDerWaalsContact O-CB 3.25Å; I41-S45 WeakPolarHBondContact O-CB 3.4Å; I41-S45 PolarHBondContact O-N 3.2Å; I41-S45 PolarHBondContact O-OG 3.31Å; I41-S55 WeakPolarHBondContact CD1-O 3.48Å; I41-S55 WeakPolarHBondContact CG1-O 3.42Å; I41-V59 HydrophobicContact CD1-CG2 3.59Å; I41-V118 HydrophobicContact CG1-CG1 4.15Å; I41-V118 HydrophobicContact CG1-CG2 4.39Å |
| 42 | A | 94.6 | Very high | 94 | Very high | 58 Ų | 58 | 57 Ų | 57 | 48% | 0.479 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G38 S45 | G38-A42 WeakPolarHBondContact O-CB 3.26Å; G38-A42 PolarHBondContact O-N 3.33Å; A42-S45 WeakPolarHBondContact CA-OG 3.23Å; A42-S45 PolarHBondContact O-OG 3.02Å |
| 43 | A | 93.4 | Very high | 93.6 | Very high | 44 Ų | 44 | 61.1 Ų | 61.1 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69 | -40.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | T39 G40 I41 | T39-A43 WeakPolarHBondContact O-CB 3.33Å; T39-A43 PolarHBondContact O-N 3.44Å; G40-A43 PolarHBondContact O-N 2.93Å; I41-A43 VanDerWaalsContact C-N 3.34Å; I41-A43 PolarHBondContact O-N 3.25Å |
| 44 | M | 92.8 | Very high | 93.2 | Very high | 7 Ų | 7 | 67 Ų | 67 | 3% | 0.034 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70.5 | -38.8 | 179.1 | -179.6 | -81 | -64.8 | 0 | 0 | 112.2 | G40 I41 V46 M47 R48 L51 S55 A122 | G40-M44 VanDerWaalsContact O-CB 3.32Å; G40-M44 WeakPolarHBondContact O-CB 3.41Å; G40-M44 PolarHBondContact O-N 2.75Å; I41-M44 PolarHBondContact O-N 2.89Å; M44-V46 PolarHBondContact O-N 2.8Å; M44-M47 PolarHBondContact O-N 3.41Å; M44-R48 PolarHBondContact O-N 3.36Å; M44-R48 HydrophobicContact SD-CB 4.08Å; M44-R48 VanDerWaalsContact SD-O 3.38Å; M44-L51 HydrophobicContact CE-CB 3.85Å; M44-L51 HydrophobicContact SD-CB 3.71Å; M44-L51 HydrophobicContact SD-CD1 4.28Å; M44-S55 WeakPolarHBondContact CE-OG 3.45Å; M44-A122 HydrophobicContact CB-CB 4.45Å; M44-A122 HydrophobicContact CG-CB 3.42Å; M44-A122 VanDerWaalsContact CG-CB 3.42Å |
| 45 | S | 91.8 | Very high | 92.9 | Very high | 31 Ų | 31 | 64.4 Ų | 64.4 | 22% | 0.217 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.6 | -25.4 | -174.9 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | I41 A42 M47 P49 | I41-S45 VanDerWaalsContact O-CB 3.25Å; I41-S45 WeakPolarHBondContact O-CB 3.4Å; I41-S45 PolarHBondContact O-N 3.2Å; I41-S45 PolarHBondContact O-OG 3.31Å; A42-S45 WeakPolarHBondContact CA-OG 3.23Å; A42-S45 PolarHBondContact O-OG 3.02Å; S45-M47 VanDerWaalsContact C-N 3.27Å; S45-M47 PolarHBondContact O-N 2.94Å; S45-P49 WeakPolarHBondContact O-CA 3.37Å |
| 46 | V | 92.7 | Very high | 92.7 | Very high | 120 Ų | 120 | 64.7 Ų | 64.7 | 73% | 0.727 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -36.8 | 172.9 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | M44 | M44-V46 PolarHBondContact O-N 2.8Š|
| 47 | M | 90 | Very high | 92.7 | Very high | 157 Ų | 157 | 63.8 Ų | 63.8 | 77% | 0.773 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -34.2 | -177 | -63.8 | -66.3 | -68.9 | 0 | 0 | 112.9 | M44 S45 | M44-M47 PolarHBondContact O-N 3.41Å; S45-M47 VanDerWaalsContact C-N 3.27Å; S45-M47 PolarHBondContact O-N 2.94Å |
| 48 | R | 91.1 | Very high | 92.7 | Very high | 105 Ų | 105 | 63.8 Ų | 63.8 | 40% | 0.396 | 35% | 0.349 | S | S | . | . | trans | -140.7 | 76.4 | -177 | -67.3 | -161.1 | -178.3 | -161.3 | 5.5 | 112.3 | M44 E50 L51 A122 | M44-R48 PolarHBondContact O-N 3.36Å; M44-R48 HydrophobicContact SD-CB 4.08Å; M44-R48 VanDerWaalsContact SD-O 3.38Å; R48-E50 VanDerWaalsContact C-N 3.28Å; R48-E50 PolarHBondContact O-N 2.81Å; R48-L51 HydrophobicContact CB-CD1 3.93Å; R48-L51 HydrophobicContact CB-CG 4.19Å; R48-L51 HydrophobicContact CG-CD1 4.49Å; R48-L51 PolarHBondContact O-N 3Å; R48-L51 VanDerWaalsContact O-N 3.14Å; R48-A122 PolarHBondContact NE-O 3.26Å | ||
| 49 | P | 90.7 | Very high | 92.7 | Very high | 71 Ų | 71 | 64.2 Ų | 64.2 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -64 | -30.1 | -174.9 | 24.2 | -31.8 | 0 | 0 | 0 | 113.5 | S45 L51 I52 | S45-P49 WeakPolarHBondContact O-CA 3.37Å; P49-L51 PolarHBondContact O-N 3.43Å; P49-L51 VanDerWaalsContact O-N 3.07Å; P49-I52 HydrophobicContact CB-CD1 4.18Å; P49-I52 WeakPolarHBondContact O-CB 3.39Å; P49-I52 VanDerWaalsContact O-CD1 3.29Å; P49-I52 WeakPolarHBondContact O-CD1 3.23Å; P49-I52 WeakPolarHBondContact O-CG1 3.48Å; P49-I52 PolarHBondContact O-N 3.36Å; P49-I52 VanDerWaalsContact O-N 3.11Å |
| 50 | E | 92.3 | Very high | 92.7 | Very high | 143 Ų | 143 | 64.6 Ų | 64.6 | 67% | 0.668 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -58.5 | -19 | 174.4 | 42.9 | -83.5 | -178.7 | 0 | 0 | 114.6 | R48 | R48-E50 VanDerWaalsContact C-N 3.28Å; R48-E50 PolarHBondContact O-N 2.81Å |
| 51 | L | 89.6 | Confident | 92.8 | Very high | 25 Ų | 25 | 66.2 Ų | 66.2 | 13% | 0.131 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -91.4 | -2.3 | 179.3 | -61.8 | -180 | 0 | 0 | 0 | 113.9 | M44 R48 P49 M53 K54 S55 | M44-L51 HydrophobicContact CE-CB 3.85Å; M44-L51 HydrophobicContact SD-CB 3.71Å; M44-L51 HydrophobicContact SD-CD1 4.28Å; R48-L51 HydrophobicContact CB-CD1 3.93Å; R48-L51 HydrophobicContact CB-CG 4.19Å; R48-L51 HydrophobicContact CG-CD1 4.49Å; R48-L51 PolarHBondContact O-N 3Å; R48-L51 VanDerWaalsContact O-N 3.14Å; P49-L51 PolarHBondContact O-N 3.43Å; P49-L51 VanDerWaalsContact O-N 3.07Å; L51-M53 PolarHBondContact O-N 3.39Å; L51-K54 HydrophobicContact CD2-CD 4.47Å; L51-K54 PolarHBondContact O-N 3.45Å; L51-S55 WeakPolarHBondContact O-CB 3.45Å; L51-S55 PolarHBondContact O-N 2.9Å; L51-S55 PolarHBondContact O-OG 2.94Å |
| 52 | I | 91.4 | Very high | 92.8 | Very high | 60 Ų | 60 | 65.3 Ų | 65.3 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.3 | -51.1 | -177.7 | -68.5 | 165.4 | 0 | 0 | 0 | 111 | P49 K54 S55 I56 | P49-I52 HydrophobicContact CB-CD1 4.18Å; P49-I52 WeakPolarHBondContact O-CB 3.39Å; P49-I52 VanDerWaalsContact O-CD1 3.29Å; P49-I52 WeakPolarHBondContact O-CD1 3.23Å; P49-I52 WeakPolarHBondContact O-CG1 3.48Å; P49-I52 PolarHBondContact O-N 3.36Å; P49-I52 VanDerWaalsContact O-N 3.11Å; I52-K54 VanDerWaalsContact C-N 3.26Å; I52-K54 PolarHBondContact O-N 3.48Å; I52-S55 PolarHBondContact O-N 2.96Å; I52-I56 HydrophobicContact CG2-CD1 4.3Å; I52-I56 WeakPolarHBondContact O-CG1 3.32Å; I52-I56 PolarHBondContact O-N 2.76Å |
| 53 | M | 89.9 | Confident | 92.8 | Very high | 155 Ų | 155 | 64 Ų | 64 | 76% | 0.764 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.7 | -34.5 | -176.1 | -73.1 | -59.3 | -71.7 | 0 | 0 | 112.9 | L51 S55 I56 | L51-M53 PolarHBondContact O-N 3.39Å; M53-S55 VanDerWaalsContact C-N 3.34Å; M53-I56 HydrophobicContact SD-CD1 4.06Å |
| 54 | K | 88.5 | Confident | 93 | Very high | 122 Ų | 122 | 64.6 Ų | 64.6 | 53% | 0.53 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -72 | -32.9 | 175.4 | -68.4 | -176.5 | -180 | 178.4 | 0 | 111.8 | L51 I52 I56 I57 F128 | L51-K54 HydrophobicContact CD2-CD 4.47Å; L51-K54 PolarHBondContact O-N 3.45Å; I52-K54 VanDerWaalsContact C-N 3.26Å; I52-K54 PolarHBondContact O-N 3.48Å; K54-I56 VanDerWaalsContact C-N 3.32Å; K54-I56 PolarHBondContact O-N 2.88Å; K54-I57 WeakPolarHBondContact O-CG1 3.3Å; K54-F128 HydrophobicContact CB-CE2 3.89Å; K54-F128 HydrophobicContact CB-CZ 3.89Å; K54-F128 HydrophobicContact CG-CZ 4.44Å; K54-F128 VanDerWaalsContact O-CE2 3.28Å; K54-F128 WeakPolarHBondContact O-CE2 3.14Å |
| 55 | S | 90.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.014 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -84.8 | -3.4 | -172.8 | -53.6 | 0 | 0 | 0 | 0 | 113.7 | I41 M44 L51 I52 M53 I57 P58 | I41-S55 WeakPolarHBondContact CD1-O 3.48Å; I41-S55 WeakPolarHBondContact CG1-O 3.42Å; M44-S55 WeakPolarHBondContact CE-OG 3.45Å; L51-S55 WeakPolarHBondContact O-CB 3.45Å; L51-S55 PolarHBondContact O-N 2.9Å; L51-S55 PolarHBondContact O-OG 2.94Å; I52-S55 PolarHBondContact O-N 2.96Å; M53-S55 VanDerWaalsContact C-N 3.34Å; S55-I57 VanDerWaalsContact C-N 3.3Å; S55-I57 PolarHBondContact O-N 3.49Å; S55-P58 WeakPolarHBondContact O-CD 3.46Å |
| 56 | I | 94.8 | Very high | 93.4 | Very high | 65 Ų | 65 | 64 Ų | 64 | 33% | 0.333 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -19.5 | 176.6 | -77.2 | 169.5 | 0 | 0 | 0 | 112.9 | I52 M53 K54 P58 V59 V60 | I52-I56 HydrophobicContact CG2-CD1 4.3Å; I52-I56 WeakPolarHBondContact O-CG1 3.32Å; I52-I56 PolarHBondContact O-N 2.76Å; M53-I56 HydrophobicContact SD-CD1 4.06Å; K54-I56 VanDerWaalsContact C-N 3.32Å; K54-I56 PolarHBondContact O-N 2.88Å; I56-P58 VanDerWaalsContact C-CD 3.44Å; I56-V59 WeakPolarHBondContact O-CB 3.13Å; I56-V59 PolarHBondContact O-N 2.97Å; I56-V60 HydrophobicContact CG2-CG2 3.67Å; I56-V60 PolarHBondContact O-N 3.1Å; I56-V60 VanDerWaalsContact O-N 3.1Å |
| 57 | I | 95.8 | Very high | 93.7 | Very high | 52 Ų | 52 | 62.7 Ų | 62.7 | 27% | 0.267 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -51 | -47.2 | -175.6 | -62.2 | 175.5 | 0 | 0 | 0 | 114 | K54 S55 V59 V60 M61 F128 I132 | K54-I57 WeakPolarHBondContact O-CG1 3.3Å; S55-I57 VanDerWaalsContact C-N 3.3Å; S55-I57 PolarHBondContact O-N 3.49Å; I57-V59 VanDerWaalsContact C-N 3.27Å; I57-V59 PolarHBondContact O-N 3.46Å; I57-V60 PolarHBondContact O-N 3.31Å; I57-M61 HydrophobicContact CG2-CE 3.8Å; I57-M61 HydrophobicContact CG2-CG 4.35Å; I57-M61 HydrophobicContact CG2-SD 3.94Å; I57-M61 WeakPolarHBondContact O-CG 3.28Å; I57-M61 PolarHBondContact O-N 3.09Å; I57-F128 HydrophobicContact CD1-CE2 4.19Å; I57-F128 HydrophobicContact CD1-CZ 3.6Å; I57-I132 HydrophobicContact CD1-CD1 3.93Å; I57-I132 HydrophobicContact CD1-CG1 4.42Å |
| 58 | P | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -32.6 | 179.1 | -15.7 | 29.3 | 0 | 0 | 0 | 112.9 | S55 I56 M61 A62 I110 V118 M131 L135 | S55-P58 WeakPolarHBondContact O-CD 3.46Å; I56-P58 VanDerWaalsContact C-CD 3.44Å; P58-M61 PolarHBondContact O-N 2.99Å; P58-A62 WeakPolarHBondContact O-CB 3.39Å; P58-A62 PolarHBondContact O-N 3.49Å; P58-I110 WeakPolarHBondContact O-CG2 3.37Å; P58-V118 HydrophobicContact CG-CG1 4.24Å; P58-M131 HydrophobicContact CG-CE 4.4Å; P58-M131 HydrophobicContact CG-SD 4.45Å; P58-L135 HydrophobicContact CB-CD1 3.93Å; P58-L135 HydrophobicContact CB-CD2 4.39Å; P58-L135 HydrophobicContact CG-CD1 3.7Å |
| 59 | V | 96.6 | Very high | 94.3 | Very high | 38 Ų | 38 | 51.5 Ų | 51.5 | 23% | 0.23 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.8 | -42.9 | 176.6 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | T34 I41 I56 I57 M61 A62 G63 | T34-V59 HydrophobicContact CG2-CG1 3.97Å; I41-V59 HydrophobicContact CD1-CG2 3.59Å; I56-V59 WeakPolarHBondContact O-CB 3.13Å; I56-V59 PolarHBondContact O-N 2.97Å; I57-V59 VanDerWaalsContact C-N 3.27Å; I57-V59 PolarHBondContact O-N 3.46Å; V59-M61 VanDerWaalsContact C-N 3.35Å; V59-A62 PolarHBondContact O-N 3.47Å; V59-G63 PolarHBondContact O-N 3.48Å |
| 60 | V | 96.6 | Very high | 94.6 | Very high | 83 Ų | 83 | 52.3 Ų | 52.3 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 175.8 | 176 | 0 | 0 | 0 | 0 | 110.4 | I56 I57 A62 G63 I64 | I56-V60 HydrophobicContact CG2-CG2 3.67Å; I56-V60 PolarHBondContact O-N 3.1Å; I56-V60 VanDerWaalsContact O-N 3.1Å; I57-V60 PolarHBondContact O-N 3.31Å; V60-A62 PolarHBondContact O-N 3.42Å; V60-G63 WeakPolarHBondContact O-CA 3.5Å; V60-G63 PolarHBondContact O-N 3.49Å; V60-G63 VanDerWaalsContact O-N 3.08Å; V60-I64 WeakPolarHBondContact O-CG1 3.49Å; V60-I64 PolarHBondContact O-N 3.17Å; V60-I64 VanDerWaalsContact O-N 3.12Å |
| 61 | M | 94.8 | Very high | 94.8 | Very high | 33 Ų | 33 | 48.8 Ų | 48.8 | 16% | 0.163 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 177.5 | -71 | 179.2 | 167.2 | 0 | 0 | 112.6 | I57 P58 V59 G63 I64 I110 L135 I136 | I57-M61 HydrophobicContact CG2-CE 3.8Å; I57-M61 HydrophobicContact CG2-CG 4.35Å; I57-M61 HydrophobicContact CG2-SD 3.94Å; I57-M61 WeakPolarHBondContact O-CG 3.28Å; I57-M61 PolarHBondContact O-N 3.09Å; P58-M61 PolarHBondContact O-N 2.99Å; V59-M61 VanDerWaalsContact C-N 3.35Å; M61-G63 VanDerWaalsContact C-N 3.3Å; M61-G63 PolarHBondContact O-N 3.32Å; M61-I64 PolarHBondContact O-N 3.29Å; M61-I110 HydrophobicContact CB-CD1 4.25Å; M61-L135 HydrophobicContact SD-CB 3.66Å; M61-L135 HydrophobicContact SD-CD1 4.34Å; M61-I136 HydrophobicContact CE-CG1 4.3Å |
| 62 | A | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | A30 P58 V59 V60 I64 I65 I110 | A30-A62 WeakPolarHBondContact CA-O 3.26Å; A30-A62 WeakPolarHBondContact CB-O 3.29Å; P58-A62 WeakPolarHBondContact O-CB 3.39Å; P58-A62 PolarHBondContact O-N 3.49Å; V59-A62 PolarHBondContact O-N 3.47Å; V60-A62 PolarHBondContact O-N 3.42Å; A62-I64 PolarHBondContact O-N 2.88Å; A62-I65 PolarHBondContact O-N 3.43Å; A62-I110 HydrophobicContact CB-CG2 4.08Å |
| 63 | G | 96 | Very high | 95.4 | Very high | 32 Ų | 32 | 45.5 Ų | 45.5 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.3 | -35.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | V59 V60 M61 I65 A66 | V59-G63 PolarHBondContact O-N 3.48Å; V60-G63 WeakPolarHBondContact O-CA 3.5Å; V60-G63 PolarHBondContact O-N 3.49Å; V60-G63 VanDerWaalsContact O-N 3.08Å; M61-G63 VanDerWaalsContact C-N 3.3Å; M61-G63 PolarHBondContact O-N 3.32Å; G63-I65 PolarHBondContact O-N 3Å; G63-A66 PolarHBondContact O-N 3.27Å |
| 64 | I | 97.2 | Very high | 95.7 | Very high | 55 Ų | 55 | 41.4 Ų | 41.4 | 28% | 0.282 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.5 | -33.4 | 179.2 | -66.9 | 169 | 0 | 0 | 0 | 111.6 | V60 M61 A62 A66 I67 Y68 | V60-I64 WeakPolarHBondContact O-CG1 3.49Å; V60-I64 PolarHBondContact O-N 3.17Å; V60-I64 VanDerWaalsContact O-N 3.12Å; M61-I64 PolarHBondContact O-N 3.29Å; A62-I64 PolarHBondContact O-N 2.88Å; I64-A66 VanDerWaalsContact C-N 3.31Å; I64-A66 PolarHBondContact O-N 3.32Å; I64-I67 WeakPolarHBondContact O-CB 3.41Å; I64-I67 PolarHBondContact O-N 2.99Å; I64-Y68 HydrophobicContact CG2-CD1 4.4Å; I64-Y68 HydrophobicContact CG2-CE1 3.57Å; I64-Y68 HydrophobicContact CG2-CE2 4.14Å; I64-Y68 VanDerWaalsContact CG2-CZ 3.41Å; I64-Y68 VanDerWaalsContact CG2-OH 3.3Å; I64-Y68 WeakPolarHBondContact CG2-OH 3.24Å; I64-Y68 PolarHBondContact O-N 3.23Å |
| 65 | I | 96.1 | Very high | 96 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -40.4 | 177.2 | -65.4 | 172 | 0 | 0 | 0 | 111.8 | A62 G63 I67 Y68 G69 G103 A106 I110 | A62-I65 PolarHBondContact O-N 3.43Å; G63-I65 PolarHBondContact O-N 3Å; I65-I67 PolarHBondContact O-N 3.15Å; I65-Y68 WeakPolarHBondContact O-CB 3.45Å; I65-Y68 PolarHBondContact O-N 3.39Å; I65-G69 PolarHBondContact O-N 3.3Å; I65-G103 VanDerWaalsContact CG2-CA 3.44Å; I65-G103 WeakPolarHBondContact CG2-O 3.42Å; I65-A106 HydrophobicContact CD1-CB 3.63Å; I65-A106 HydrophobicContact CG1-CB 4.47Å; I65-I110 HydrophobicContact CD1-CD1 3.66Å |
| 66 | A | 96.7 | Very high | 96.1 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 21% | 0.207 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -32.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A30 G63 I64 Y68 G69 L70 | A30-A66 HydrophobicContact CB-CB 3.79Å; G63-A66 PolarHBondContact O-N 3.27Å; I64-A66 VanDerWaalsContact C-N 3.31Å; I64-A66 PolarHBondContact O-N 3.32Å; A66-Y68 VanDerWaalsContact C-N 3.33Å; A66-G69 PolarHBondContact O-N 2.91Å; A66-L70 WeakPolarHBondContact O-CB 3.39Å; A66-L70 PolarHBondContact O-N 2.94Å |
| 67 | I | 97.7 | Very high | 96 | Very high | 93 Ų | 93 | 38 Ų | 38 | 48% | 0.477 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.8 | -37.9 | 176.5 | -57.4 | 176.1 | 0 | 0 | 0 | 110.3 | I64 I65 G69 L70 V71 | I64-I67 WeakPolarHBondContact O-CB 3.41Å; I64-I67 PolarHBondContact O-N 2.99Å; I65-I67 PolarHBondContact O-N 3.15Å; I67-G69 PolarHBondContact O-N 3.38Å; I67-L70 PolarHBondContact O-N 3.11Å; I67-V71 HydrophobicContact CG2-CG2 4.27Å; I67-V71 VanDerWaalsContact O-CG2 3.31Å; I67-V71 WeakPolarHBondContact O-CG2 3.35Å; I67-V71 PolarHBondContact O-N 3.43Å |
| 68 | Y | 97 | Very high | 95.9 | Very high | 27 Ų | 27 | 41.7 Ų | 41.7 | 11% | 0.106 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -46.6 | 175.7 | -57.7 | -22.9 | 0 | 0 | 0 | 112.1 | I64 I65 A66 V71 V72 E139 L143 L146 | I64-Y68 HydrophobicContact CG2-CD1 4.4Å; I64-Y68 HydrophobicContact CG2-CE1 3.57Å; I64-Y68 HydrophobicContact CG2-CE2 4.14Å; I64-Y68 VanDerWaalsContact CG2-CZ 3.41Å; I64-Y68 VanDerWaalsContact CG2-OH 3.3Å; I64-Y68 WeakPolarHBondContact CG2-OH 3.24Å; I64-Y68 PolarHBondContact O-N 3.23Å; I65-Y68 WeakPolarHBondContact O-CB 3.45Å; I65-Y68 PolarHBondContact O-N 3.39Å; A66-Y68 VanDerWaalsContact C-N 3.33Å; Y68-V71 PolarHBondContact O-N 3.12Å; Y68-V72 PolarHBondContact O-N 3.48Å; Y68-E139 PolarHBondContact OH-OE1 3.04Å; Y68-L143 HydrophobicContact CE1-CD2 4.08Å; Y68-L143 HydrophobicContact CE2-CD2 3.98Å; Y68-L143 HydrophobicContact CE2-CG 4.1Å; Y68-L143 VanDerWaalsContact CZ-CD2 3.49Å; Y68-L143 WeakPolarHBondContact OH-CD2 3.21Å; Y68-L143 WeakPolarHBondContact OH-CG 3.4Å; Y68-L146 HydrophobicContact CD1-CD2 3.67Å; Y68-L146 HydrophobicContact CE1-CD2 4.12Å; Y68-L146 HydrophobicContact CG-CD2 3.97Å |
| 69 | G | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S26 I65 A66 I67 V72 A73 | S26-G69 WeakPolarHBondContact OG-CA 3.5Å; I65-G69 PolarHBondContact O-N 3.3Å; A66-G69 PolarHBondContact O-N 2.91Å; I67-G69 PolarHBondContact O-N 3.38Å; G69-V72 PolarHBondContact O-N 2.88Å; G69-A73 WeakPolarHBondContact O-CB 3.3Å; G69-A73 PolarHBondContact O-N 2.89Å |
| 70 | L | 97.3 | Very high | 95 | Very high | 88 Ų | 88 | 43.5 Ų | 43.5 | 46% | 0.461 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 177 | 177.5 | 64.1 | 0 | 0 | 0 | 111.9 | M23 A66 I67 V72 A73 V74 | M23-L70 HydrophobicContact SD-CB 4.09Å; M23-L70 HydrophobicContact SD-CD1 4.19Å; A66-L70 WeakPolarHBondContact O-CB 3.39Å; A66-L70 PolarHBondContact O-N 2.94Å; I67-L70 PolarHBondContact O-N 3.11Å; L70-V72 VanDerWaalsContact C-N 3.35Å; L70-V72 PolarHBondContact O-N 3.28Å; L70-A73 PolarHBondContact O-N 2.82Å; L70-V74 HydrophobicContact CD1-CG2 4.12Å; L70-V74 WeakPolarHBondContact O-CG2 3.43Å; L70-V74 PolarHBondContact O-N 3.33Å |
| 71 | V | 96.9 | Very high | 94.4 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 179.8 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | I67 Y68 V74 L75 | I67-V71 HydrophobicContact CG2-CG2 4.27Å; I67-V71 VanDerWaalsContact O-CG2 3.31Å; I67-V71 WeakPolarHBondContact O-CG2 3.35Å; I67-V71 PolarHBondContact O-N 3.43Å; Y68-V71 PolarHBondContact O-N 3.12Å; V71-V74 PolarHBondContact O-N 3.48Å; V71-L75 HydrophobicContact CG1-CD1 4.07Å; V71-L75 VanDerWaalsContact O-CG 3.29Å; V71-L75 WeakPolarHBondContact O-CG 3.32Å; V71-L75 PolarHBondContact O-N 2.88Å |
| 72 | V | 96.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -41.2 | 178.4 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | A22 Y68 G69 L70 V74 L75 I76 V99 L146 A149 | A22-V72 HydrophobicContact CB-CB 4.45Å; A22-V72 HydrophobicContact CB-CG1 4.27Å; Y68-V72 PolarHBondContact O-N 3.48Å; G69-V72 PolarHBondContact O-N 2.88Å; L70-V72 VanDerWaalsContact C-N 3.35Å; L70-V72 PolarHBondContact O-N 3.28Å; V72-V74 VanDerWaalsContact C-N 3.34Å; V72-V74 PolarHBondContact O-N 2.91Å; V72-L75 PolarHBondContact O-N 3.41Å; V72-I76 HydrophobicContact CG1-CD1 3.86Å; V72-I76 HydrophobicContact CG1-CG1 4.37Å; V72-I76 WeakPolarHBondContact O-CG1 3.28Å; V72-I76 PolarHBondContact O-N 3.17Å; V72-V99 HydrophobicContact CB-CG1 3.93Å; V72-V99 HydrophobicContact CG1-CG1 3.94Å; V72-V99 HydrophobicContact CG2-CB 4.28Å; V72-V99 HydrophobicContact CG2-CG1 3.98Å; V72-V99 HydrophobicContact CG2-CG2 4.27Å; V72-L146 HydrophobicContact CG2-CD1 3.54Å; V72-A149 HydrophobicContact CG1-CB 4.12Å; V72-A149 HydrophobicContact CG2-CB 3.87Å |
| 73 | A | 96.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 56.8 Ų | 56.8 | 12% | 0.124 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | A19 A22 M23 G69 L70 I76 A77 | A19-A73 HydrophobicContact CB-CB 4.38Å; A22-A73 HydrophobicContact CB-CB 4.42Å; M23-A73 HydrophobicContact CB-CB 4.46Å; G69-A73 WeakPolarHBondContact O-CB 3.3Å; G69-A73 PolarHBondContact O-N 2.89Å; L70-A73 PolarHBondContact O-N 2.82Å; A73-I76 PolarHBondContact O-N 3.39Å; A73-A77 WeakPolarHBondContact O-CB 3.38Å; A73-A77 PolarHBondContact O-N 3.02Å |
| 74 | V | 96.5 | Very high | 92.1 | Very high | 69 Ų | 69 | 55.8 Ų | 55.8 | 42% | 0.418 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 175.9 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | L70 V71 V72 A77 N78 | L70-V74 HydrophobicContact CD1-CG2 4.12Å; L70-V74 WeakPolarHBondContact O-CG2 3.43Å; L70-V74 PolarHBondContact O-N 3.33Å; V71-V74 PolarHBondContact O-N 3.48Å; V72-V74 VanDerWaalsContact C-N 3.34Å; V72-V74 PolarHBondContact O-N 2.91Å; V74-A77 PolarHBondContact O-N 3.45Å; V74-N78 WeakPolarHBondContact O-CB 3.43Å; V74-N78 PolarHBondContact O-N 2.94Å; V74-N78 PolarHBondContact O-ND2 3.17Å |
| 75 | L | 94.8 | Very high | 91.7 | Very high | 69 Ų | 69 | 56.2 Ų | 56.2 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.7 | -73.4 | 171.7 | 0 | 0 | 0 | 111.9 | V71 V72 N78 S79 L150 | V71-L75 HydrophobicContact CG1-CD1 4.07Å; V71-L75 VanDerWaalsContact O-CG 3.29Å; V71-L75 WeakPolarHBondContact O-CG 3.32Å; V71-L75 PolarHBondContact O-N 2.88Å; V72-L75 PolarHBondContact O-N 3.41Å; L75-N78 PolarHBondContact O-N 3.44Å; L75-S79 PolarHBondContact O-N 3.35Å; L75-S79 PolarHBondContact O-OG 3.2Å; L75-L150 HydrophobicContact CD1-CD2 3.43Å; L75-L150 VanDerWaalsContact CD1-CD2 3.43Å |
| 76 | I | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 175.8 | -66.5 | 168.1 | 0 | 0 | 0 | 109.8 | A15 A19 V72 A73 N78 S79 L80 Q92 | A15-I76 WeakPolarHBondContact O-CG2 3.24Å; A19-I76 HydrophobicContact CB-CB 4.1Å; A19-I76 HydrophobicContact CB-CD1 4.49Å; A19-I76 HydrophobicContact CB-CG2 3.89Å; V72-I76 HydrophobicContact CG1-CD1 3.86Å; V72-I76 HydrophobicContact CG1-CG1 4.37Å; V72-I76 WeakPolarHBondContact O-CG1 3.28Å; V72-I76 PolarHBondContact O-N 3.17Å; A73-I76 PolarHBondContact O-N 3.39Å; I76-N78 VanDerWaalsContact C-N 3.33Å; I76-N78 PolarHBondContact O-N 3.3Å; I76-S79 WeakPolarHBondContact CA-OG 3.37Å; I76-S79 PolarHBondContact O-N 3.48Å; I76-S79 PolarHBondContact O-OG 3.44Å; I76-L80 PolarHBondContact O-N 3.08Å; I76-Q92 HydrophobicContact CD1-CB 4.41Å; I76-Q92 WeakPolarHBondContact CD1-O 3.35Å; I76-Q92 HydrophobicContact CG1-CB 4.27Å; I76-Q92 HydrophobicContact CG1-CG 4.3Å; I76-Q92 HydrophobicContact CG2-CB 4.09Å; I76-Q92 HydrophobicContact CG2-CG 4.24Å |
| 77 | A | 92.6 | Very high | 90.9 | Very high | 49 Ų | 49 | 64.4 Ų | 64.4 | 41% | 0.405 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.5 | -42.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A73 V74 S79 L80 | A73-A77 WeakPolarHBondContact O-CB 3.38Å; A73-A77 PolarHBondContact O-N 3.02Å; V74-A77 PolarHBondContact O-N 3.45Å; A77-S79 PolarHBondContact O-N 3.33Å; A77-L80 WeakPolarHBondContact O-CB 3.4Å; A77-L80 PolarHBondContact O-N 3.34Å |
| 78 | N | 92.3 | Very high | 90.6 | Very high | 129 Ų | 129 | 64.7 Ų | 64.7 | 69% | 0.69 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -69.5 | -15.1 | 177.2 | -73.9 | -21.9 | 0 | 0 | 0 | 113.8 | V74 L75 I76 | V74-N78 WeakPolarHBondContact O-CB 3.43Å; V74-N78 PolarHBondContact O-N 2.94Å; V74-N78 PolarHBondContact O-ND2 3.17Å; L75-N78 PolarHBondContact O-N 3.44Å; I76-N78 VanDerWaalsContact C-N 3.33Å; I76-N78 PolarHBondContact O-N 3.3Å |
| 79 | S | 87.4 | Confident | 90.3 | Very high | 17 Ų | 17 | 63.4 Ų | 63.4 | 12% | 0.119 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 3.3 | 180 | 68.6 | 0 | 0 | 0 | 0 | 113.8 | L75 I76 A77 Q92 | L75-S79 PolarHBondContact O-N 3.35Å; L75-S79 PolarHBondContact O-OG 3.2Å; I76-S79 WeakPolarHBondContact CA-OG 3.37Å; I76-S79 PolarHBondContact O-N 3.48Å; I76-S79 PolarHBondContact O-OG 3.44Å; A77-S79 PolarHBondContact O-N 3.33Å; S79-Q92 PolarHBondContact OG-NE2 3.38Å |
| 80 | L | 86.4 | Confident | 90.1 | Very high | 58 Ų | 58 | 68 Ų | 68 | 30% | 0.304 | 36% | 0.36 | S | S | . | . | trans | -75.4 | 121 | 174.4 | -76.1 | 166.5 | 0 | 0 | 0 | 110.3 | A15 V16 I76 A77 | A15-L80 HydrophobicContact CB-CD2 3.51Å; V16-L80 HydrophobicContact CG2-CD1 4.03Å; V16-L80 HydrophobicContact CG2-CD2 4.24Å; I76-L80 PolarHBondContact O-N 3.08Å; A77-L80 WeakPolarHBondContact O-CB 3.4Å; A77-L80 PolarHBondContact O-N 3.34Å | ||
| 81 | N | 83.1 | Confident | 90 | Very high | 96 Ų | 96 | 65 Ų | 65 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | trans | -132.2 | 158.5 | 174.5 | -64.6 | -27.1 | 0 | 0 | 0 | 109.3 | D83 I84 | N81-D83 PolarHBondContact O-N 2.74Å; N81-I84 PolarHBondContact O-N 3.12Å | ||
| 82 | D | 77.4 | Confident | 89.9 | Confident | 167 Ų | 167 | 62 Ų | 62 | 89% | 0.893 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -25.4 | 180 | -67.3 | -32.6 | 0 | 0 | 0 | 113.2 | ||
| 83 | D | 79.3 | Confident | 89.8 | Confident | 133 Ų | 133 | 63.7 Ų | 63.7 | 71% | 0.711 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 38.4 | 178.2 | -69.8 | -41 | 0 | 0 | 0 | 113.4 | N81 S85 | N81-D83 PolarHBondContact O-N 2.74Å; D83-S85 PolarHBondContact O-N 3.41Å |
| 84 | I | 82.6 | Confident | 89.8 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 5% | 0.051 | 34% | 0.344 | C | S | . | . | trans | -73.5 | 128.2 | 179.4 | -157.7 | 166.3 | 0 | 0 | 0 | 111.7 | A11 S12 A15 N81 R88 | A11-I84 HydrophobicContact CB-CG2 3.86Å; A11-I84 WeakPolarHBondContact CB-O 3.19Å; S12-I84 WeakPolarHBondContact OG-CG2 3.42Å; A15-I84 HydrophobicContact CB-CD1 4.3Å; N81-I84 PolarHBondContact O-N 3.12Å; I84-R88 HydrophobicContact CD1-CG 4.38Å; I84-R88 HydrophobicContact CG1-CB 4.07Å; I84-R88 HydrophobicContact CG1-CG 4.32Å | ||
| 85 | S | 87.8 | Confident | 89.8 | Confident | 64 Ų | 64 | 61.1 Ų | 61.1 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | trans | -72.1 | 143.2 | 172.5 | 175.9 | 0 | 0 | 0 | 0 | 111 | D83 Y87 R88 S89 | D83-S85 PolarHBondContact O-N 3.41Å; S85-Y87 PolarHBondContact O-N 3.46Å; S85-Y87 VanDerWaalsContact O-N 3.15Å; S85-Y87 PolarHBondContact OG-N 2.96Å; S85-R88 WeakPolarHBondContact O-CB 3.21Å; S85-R88 PolarHBondContact O-N 3.09Å; S85-S89 PolarHBondContact O-N 3.35Å; S85-S89 VanDerWaalsContact O-N 3.13Å; S85-S89 PolarHBondContact O-OG 3.28Å | ||
| 86 | L | 87.9 | Confident | 89.9 | Confident | 52 Ų | 52 | 57.9 Ų | 57.9 | 27% | 0.272 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -51.9 | -37.7 | 175.8 | -167.7 | 99.4 | 0 | 0 | 0 | 112.5 | P8 Y10 R88 S89 F90 | P8-L86 HydrophobicContact CG-CD1 3.67Å; Y10-L86 HydrophobicContact CD2-CD1 4.12Å; Y10-L86 HydrophobicContact CE2-CD1 3.45Å; Y10-L86 VanDerWaalsContact CE2-CD1 3.45Å; L86-R88 PolarHBondContact O-N 3.31Å; L86-S89 PolarHBondContact O-N 3.4Å; L86-F90 HydrophobicContact CD1-CE2 4.37Å; L86-F90 HydrophobicContact CD2-CD2 4.05Å; L86-F90 HydrophobicContact CD2-CE2 3.49Å; L86-F90 VanDerWaalsContact CD2-CE2 3.49Å; L86-F90 HydrophobicContact CD2-CZ 4.44Å; L86-F90 HydrophobicContact CG-CD2 4.05Å; L86-F90 HydrophobicContact CG-CE2 3.71Å; L86-F90 WeakPolarHBondContact O-CD2 3.5Å; L86-F90 PolarHBondContact O-N 2.97Å |
| 87 | Y | 88.7 | Confident | 90.1 | Very high | 147 Ų | 147 | 60.9 Ų | 60.9 | 58% | 0.576 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.5 | -45.5 | 177.2 | 173.3 | -105.3 | 0 | 0 | 0 | 111.8 | S85 S89 F90 L91 | S85-Y87 PolarHBondContact O-N 3.46Å; S85-Y87 VanDerWaalsContact O-N 3.15Å; S85-Y87 PolarHBondContact OG-N 2.96Å; Y87-S89 VanDerWaalsContact C-N 3.35Å; Y87-S89 PolarHBondContact O-N 3.42Å; Y87-F90 PolarHBondContact O-N 2.9Å; Y87-L91 HydrophobicContact CD1-CD1 3.99Å; Y87-L91 HydrophobicContact CE1-CD1 3.39Å; Y87-L91 HydrophobicContact CE1-CG 4.24Å; Y87-L91 HydrophobicContact CE2-CD1 4.36Å; Y87-L91 HydrophobicContact CE2-CG 4.42Å; Y87-L91 WeakPolarHBondContact O-CG 3.42Å; Y87-L91 PolarHBondContact O-N 3.29Å |
| 88 | R | 89.9 | Confident | 90.3 | Very high | 98 Ų | 98 | 60.2 Ų | 60.2 | 37% | 0.37 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 179.8 | -167.2 | 171.5 | -171.6 | -173.9 | -0.4 | 111.5 | I84 S85 L86 F90 L91 Q92 | I84-R88 HydrophobicContact CD1-CG 4.38Å; I84-R88 HydrophobicContact CG1-CB 4.07Å; I84-R88 HydrophobicContact CG1-CG 4.32Å; S85-R88 WeakPolarHBondContact O-CB 3.21Å; S85-R88 PolarHBondContact O-N 3.09Å; L86-R88 PolarHBondContact O-N 3.31Å; R88-F90 PolarHBondContact O-N 3.14Å; R88-L91 WeakPolarHBondContact O-CB 3.46Å; R88-L91 PolarHBondContact O-N 3.29Å; R88-Q92 WeakPolarHBondContact O-CG 3.35Å; R88-Q92 PolarHBondContact O-N 2.92Å |
| 89 | S | 91.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 176.4 | -56.3 | 0 | 0 | 0 | 0 | 113.3 | A11 S85 L86 Y87 Q92 L93 | A11-S89 WeakPolarHBondContact O-CB 3.5Å; A11-S89 PolarHBondContact O-OG 3.47Å; S85-S89 PolarHBondContact O-N 3.35Å; S85-S89 VanDerWaalsContact O-N 3.13Å; S85-S89 PolarHBondContact O-OG 3.28Å; L86-S89 PolarHBondContact O-N 3.4Å; Y87-S89 VanDerWaalsContact C-N 3.35Å; Y87-S89 PolarHBondContact O-N 3.42Å; S89-Q92 PolarHBondContact O-N 3.47Å; S89-L93 PolarHBondContact O-N 2.97Å |
| 90 | F | 92.8 | Very high | 91 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 43% | 0.425 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.1 | -35.8 | 173.1 | -77.1 | -48.1 | 0 | 0 | 0 | 112.8 | F14 L86 Y87 R88 Q92 L93 G94 | F14-F90 HydrophobicContact CB-CD1 4.38Å; F14-F90 HydrophobicContact CD1-CD1 4.29Å; F14-F90 AromaticContact CD1-CE1 3.77Å; F14-F90 HydrophobicContact CD1-CE1 3.77Å; F14-F90 HydrophobicContact CD2-CD1 4.39Å; F14-F90 AromaticContact CD2-CE1 3.83Å; F14-F90 HydrophobicContact CD2-CE1 3.83Å; F14-F90 HydrophobicContact CD2-CZ 4.17Å; F14-F90 AromaticContact CE1-CE1 3.78Å; F14-F90 HydrophobicContact CE1-CE1 3.78Å; F14-F90 HydrophobicContact CE1-CZ 4.45Å; F14-F90 AromaticContact CE2-CE1 3.84Å; F14-F90 HydrophobicContact CE2-CE1 3.84Å; F14-F90 AromaticContact CE2-CZ 3.88Å; F14-F90 HydrophobicContact CE2-CZ 3.88Å; F14-F90 HydrophobicContact CG-CD1 4.11Å; F14-F90 AromaticContact CG-CE1 3.78Å; F14-F90 HydrophobicContact CG-CE1 3.78Å; F14-F90 AromaticContact CZ-CE1 3.82Å; F14-F90 HydrophobicContact CZ-CE1 3.82Å; F14-F90 HydrophobicContact CZ-CZ 4.03Å; L86-F90 HydrophobicContact CD1-CE2 4.37Å; L86-F90 HydrophobicContact CD2-CD2 4.05Å; L86-F90 HydrophobicContact CD2-CE2 3.49Å; L86-F90 VanDerWaalsContact CD2-CE2 3.49Å; L86-F90 HydrophobicContact CD2-CZ 4.44Å; L86-F90 HydrophobicContact CG-CD2 4.05Å; L86-F90 HydrophobicContact CG-CE2 3.71Å; L86-F90 WeakPolarHBondContact O-CD2 3.5Å; L86-F90 PolarHBondContact O-N 2.97Å; Y87-F90 PolarHBondContact O-N 2.9Å; R88-F90 PolarHBondContact O-N 3.14Å; F90-Q92 VanDerWaalsContact C-N 3.33Å; F90-L93 HydrophobicContact CD1-CD2 4.4Å; F90-L93 PolarHBondContact O-N 3Å; F90-G94 PolarHBondContact O-N 2.89Å |
| 91 | L | 94.4 | Very high | 91.6 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 171.6 | -74.3 | 176.8 | 0 | 0 | 0 | 111.4 | Y87 R88 G94 A95 L152 K155 | Y87-L91 HydrophobicContact CD1-CD1 3.99Å; Y87-L91 HydrophobicContact CE1-CD1 3.39Å; Y87-L91 HydrophobicContact CE1-CG 4.24Å; Y87-L91 HydrophobicContact CE2-CD1 4.36Å; Y87-L91 HydrophobicContact CE2-CG 4.42Å; Y87-L91 WeakPolarHBondContact O-CG 3.42Å; Y87-L91 PolarHBondContact O-N 3.29Å; R88-L91 WeakPolarHBondContact O-CB 3.46Å; R88-L91 PolarHBondContact O-N 3.29Å; L91-G94 PolarHBondContact O-N 3.05Å; L91-A95 WeakPolarHBondContact O-CB 3.26Å; L91-A95 PolarHBondContact O-N 3.33Å; L91-L152 HydrophobicContact CD2-CD2 4.01Å; L91-K155 HydrophobicContact CD1-CB 4.16Å |
| 92 | Q | 94.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.023 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 177.4 | -72.1 | 170.6 | -7.5 | 0 | 0 | 112.5 | A15 I76 S79 R88 S89 F90 A95 G96 | A15-Q92 HydrophobicContact CB-CB 4.42Å; I76-Q92 HydrophobicContact CD1-CB 4.41Å; I76-Q92 WeakPolarHBondContact CD1-O 3.35Å; I76-Q92 HydrophobicContact CG1-CB 4.27Å; I76-Q92 HydrophobicContact CG1-CG 4.3Å; I76-Q92 HydrophobicContact CG2-CB 4.09Å; I76-Q92 HydrophobicContact CG2-CG 4.24Å; S79-Q92 PolarHBondContact OG-NE2 3.38Å; R88-Q92 WeakPolarHBondContact O-CG 3.35Å; R88-Q92 PolarHBondContact O-N 2.92Å; S89-Q92 PolarHBondContact O-N 3.47Å; F90-Q92 VanDerWaalsContact C-N 3.33Å; Q92-A95 PolarHBondContact O-N 3.18Å; Q92-G96 PolarHBondContact O-N 3.21Å |
| 93 | L | 95.7 | Very high | 93.2 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 19% | 0.194 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 170.9 | -177.5 | 63.3 | 0 | 0 | 0 | 111.6 | F14 M17 S89 F90 G96 L97 | F14-L93 HydrophobicContact CB-CB 4.47Å; F14-L93 HydrophobicContact CB-CD2 4.44Å; F14-L93 HydrophobicContact CD1-CD2 3.96Å; M17-L93 HydrophobicContact CB-CD1 3.94Å; S89-L93 PolarHBondContact O-N 2.97Å; F90-L93 HydrophobicContact CD1-CD2 4.4Å; F90-L93 PolarHBondContact O-N 3Å; L93-G96 PolarHBondContact O-N 3.11Å; L93-L97 HydrophobicContact CD1-CD1 4.2Å; L93-L97 HydrophobicContact CD1-CG 4.46Å; L93-L97 HydrophobicContact CG-CD1 4.08Å; L93-L97 WeakPolarHBondContact O-CG 3.36Å; L93-L97 PolarHBondContact O-N 2.92Å |
| 94 | G | 96.1 | Very high | 94.1 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 31% | 0.309 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F90 L91 L97 S98 | F90-G94 PolarHBondContact O-N 2.89Å; L91-G94 PolarHBondContact O-N 3.05Å; G94-L97 PolarHBondContact O-N 3.44Å; G94-S98 VanDerWaalsContact O-CB 3.28Å; G94-S98 WeakPolarHBondContact O-CB 3.4Å; G94-S98 PolarHBondContact O-N 3.44Å |
| 95 | A | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L91 Q92 S98 V99 A149 L152 | L91-A95 WeakPolarHBondContact O-CB 3.26Å; L91-A95 PolarHBondContact O-N 3.33Å; Q92-A95 PolarHBondContact O-N 3.18Å; A95-S98 PolarHBondContact O-N 3.44Å; A95-V99 PolarHBondContact O-N 3.38Å; A95-A149 HydrophobicContact CB-CB 4.14Å; A95-A149 WeakPolarHBondContact O-CB 3.48Å; A95-L152 HydrophobicContact CB-CB 3.9Å; A95-L152 HydrophobicContact CB-CD1 4.41Å |
| 96 | G | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G18 A22 Q92 L93 V99 G100 | G18-G96 WeakPolarHBondContact O-CA 3.29Å; A22-G96 WeakPolarHBondContact CA-O 3.21Å; Q92-G96 PolarHBondContact O-N 3.21Å; L93-G96 PolarHBondContact O-N 3.11Å; G96-V99 WeakPolarHBondContact O-CG1 3.43Å; G96-G100 PolarHBondContact O-N 3.02Å |
| 97 | L | 97.7 | Very high | 95.8 | Very high | 64 Ų | 64 | 35.5 Ų | 35.5 | 34% | 0.335 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.3 | -37.8 | 176.2 | -73.8 | 170.4 | 0 | 0 | 0 | 112.6 | A21 F25 L93 G94 G100 L101 | A21-L97 HydrophobicContact CB-CD2 3.89Å; A21-L97 HydrophobicContact CB-CG 4.34Å; F25-L97 HydrophobicContact CE2-CD2 4.01Å; L93-L97 HydrophobicContact CD1-CD1 4.2Å; L93-L97 HydrophobicContact CD1-CG 4.46Å; L93-L97 HydrophobicContact CG-CD1 4.08Å; L93-L97 WeakPolarHBondContact O-CG 3.36Å; L93-L97 PolarHBondContact O-N 2.92Å; G94-L97 PolarHBondContact O-N 3.44Å; L97-G100 PolarHBondContact O-N 3.41Å; L97-L101 HydrophobicContact CD2-CD1 4.45Å; L97-L101 WeakPolarHBondContact O-CB 3.37Å; L97-L101 WeakPolarHBondContact O-CG 3.49Å; L97-L101 PolarHBondContact O-N 2.92Å |
| 98 | S | 97.3 | Very high | 96.2 | Very high | 34 Ų | 34 | 32.6 Ų | 32.6 | 24% | 0.238 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.4 | -54.6 | 177.6 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | G94 A95 S102 G145 V148 | G94-S98 VanDerWaalsContact O-CB 3.28Å; G94-S98 WeakPolarHBondContact O-CB 3.4Å; G94-S98 PolarHBondContact O-N 3.44Å; A95-S98 PolarHBondContact O-N 3.44Å; S98-S102 VanDerWaalsContact O-CB 3.26Å; S98-S102 WeakPolarHBondContact O-CB 3.29Å; S98-S102 PolarHBondContact O-N 3.48Å; S98-S102 PolarHBondContact O-OG 2.91Å; S98-G145 PolarHBondContact OG-O 3.13Å; S98-V148 WeakPolarHBondContact OG-CB 3.34Å; S98-V148 WeakPolarHBondContact OG-CG1 3.34Å |
| 99 | V | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.7 | -37.7 | 179.2 | 68.2 | 0 | 0 | 0 | 0 | 112.2 | A22 V72 A95 G96 S102 G103 L146 A149 | A22-V99 HydrophobicContact CB-CG1 3.78Å; V72-V99 HydrophobicContact CB-CG1 3.93Å; V72-V99 HydrophobicContact CG1-CG1 3.94Å; V72-V99 HydrophobicContact CG2-CB 4.28Å; V72-V99 HydrophobicContact CG2-CG1 3.98Å; V72-V99 HydrophobicContact CG2-CG2 4.27Å; A95-V99 PolarHBondContact O-N 3.38Å; G96-V99 WeakPolarHBondContact O-CG1 3.43Å; V99-S102 PolarHBondContact O-OG 3.43Å; V99-G103 WeakPolarHBondContact O-CA 3.29Å; V99-G103 PolarHBondContact O-N 3.24Å; V99-L146 HydrophobicContact CG2-CB 4.33Å; V99-L146 HydrophobicContact CG2-CD1 4.48Å; V99-A149 HydrophobicContact CB-CB 4.07Å; V99-A149 HydrophobicContact CG1-CB 4.39Å |
| 100 | G | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65 | -53.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F25 G96 L97 G103 L104 | F25-G100 CarbonylContact C-O 3.37Å; F25-G100 WeakPolarHBondContact CB-O 3.43Å; G96-G100 PolarHBondContact O-N 3.02Å; L97-G100 PolarHBondContact O-N 3.41Å; G100-G103 PolarHBondContact O-N 3.39Å; G100-L104 PolarHBondContact O-N 2.67Å |
| 101 | L | 97.9 | Very high | 97.1 | Very high | 87 Ų | 87 | 24.9 Ų | 24.9 | 46% | 0.455 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -72.5 | -34.6 | -177 | -64.8 | 176.7 | 0 | 0 | 0 | 112.4 | F25 L97 L104 A105 | F25-L101 HydrophobicContact CD1-CD2 4.18Å; F25-L101 HydrophobicContact CD2-CD2 4Å; F25-L101 HydrophobicContact CD2-CG 4.44Å; F25-L101 HydrophobicContact CE1-CD2 4.29Å; F25-L101 HydrophobicContact CE2-CD2 4.12Å; F25-L101 HydrophobicContact CG-CD2 4.04Å; F25-L101 HydrophobicContact CZ-CD2 4.27Å; L97-L101 HydrophobicContact CD2-CD1 4.45Å; L97-L101 WeakPolarHBondContact O-CB 3.37Å; L97-L101 WeakPolarHBondContact O-CG 3.49Å; L97-L101 PolarHBondContact O-N 2.92Å; L101-L104 PolarHBondContact O-N 3.07Å; L101-A105 PolarHBondContact O-N 3.48Å; L101-A105 VanDerWaalsContact O-N 3.09Å |
| 102 | S | 97.6 | Very high | 97.2 | Very high | 26 Ų | 26 | 28.1 Ų | 28.1 | 18% | 0.182 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.3 | -40.8 | 172.5 | 73.9 | 0 | 0 | 0 | 0 | 111.3 | S98 V99 A105 A106 G145 | S98-S102 VanDerWaalsContact O-CB 3.26Å; S98-S102 WeakPolarHBondContact O-CB 3.29Å; S98-S102 PolarHBondContact O-N 3.48Å; S98-S102 PolarHBondContact O-OG 2.91Å; V99-S102 PolarHBondContact O-OG 3.43Å; S102-A105 PolarHBondContact O-N 3.38Å; S102-A106 WeakPolarHBondContact O-CB 3.23Å; S102-A106 PolarHBondContact O-N 3.42Å; S102-G145 WeakPolarHBondContact OG-CA 3.33Å |
| 103 | G | 97.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | I65 V99 G100 A106 G107 | I65-G103 VanDerWaalsContact CG2-CA 3.44Å; I65-G103 WeakPolarHBondContact CG2-O 3.42Å; V99-G103 WeakPolarHBondContact O-CA 3.29Å; V99-G103 PolarHBondContact O-N 3.24Å; G100-G103 PolarHBondContact O-N 3.39Å; G103-A106 PolarHBondContact O-N 3.17Å; G103-G107 PolarHBondContact O-N 3.24Å |
| 104 | L | 97.8 | Very high | 97.4 | Very high | 38 Ų | 38 | 28 Ų | 28 | 20% | 0.199 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.5 | -51.3 | 172.7 | -176.8 | 62.6 | 0 | 0 | 0 | 111.2 | F25 L28 G100 L101 A106 G107 F108 | F25-L104 HydrophobicContact CB-CB 4.48Å; F25-L104 HydrophobicContact CD1-CD2 4.3Å; L28-L104 HydrophobicContact CB-CD1 3.83Å; G100-L104 PolarHBondContact O-N 2.67Å; L101-L104 PolarHBondContact O-N 3.07Å; L104-A106 PolarHBondContact O-N 3.35Å; L104-G107 PolarHBondContact O-N 3.44Å; L104-F108 HydrophobicContact CD1-CD2 4.02Å; L104-F108 HydrophobicContact CD1-CE2 3.57Å; L104-F108 HydrophobicContact CD2-CE2 4.43Å; L104-F108 HydrophobicContact CG-CD2 4.01Å; L104-F108 HydrophobicContact CG-CE2 3.79Å; L104-F108 VanDerWaalsContact O-CD2 3.23Å; L104-F108 WeakPolarHBondContact O-CD2 3.44Å; L104-F108 PolarHBondContact O-N 2.85Å |
| 105 | A | 97.8 | Very high | 97.4 | Very high | 54 Ų | 54 | 27.8 Ų | 27.8 | 45% | 0.446 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L101 S102 G107 F108 A109 | L101-A105 PolarHBondContact O-N 3.48Å; L101-A105 VanDerWaalsContact O-N 3.09Å; S102-A105 PolarHBondContact O-N 3.38Å; A105-G107 VanDerWaalsContact C-N 3.35Å; A105-G107 PolarHBondContact O-N 3.34Å; A105-F108 PolarHBondContact O-N 3.21Å; A105-A109 PolarHBondContact O-N 3.45Å; A105-A109 VanDerWaalsContact O-N 3.09Å |
| 106 | A | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I65 S102 G103 L104 F108 A109 I110 L141 | I65-A106 HydrophobicContact CD1-CB 3.63Å; I65-A106 HydrophobicContact CG1-CB 4.47Å; S102-A106 WeakPolarHBondContact O-CB 3.23Å; S102-A106 PolarHBondContact O-N 3.42Å; G103-A106 PolarHBondContact O-N 3.17Å; L104-A106 PolarHBondContact O-N 3.35Å; A106-F108 VanDerWaalsContact C-N 3.35Å; A106-F108 PolarHBondContact O-N 3.1Å; A106-A109 PolarHBondContact O-N 2.93Å; A106-I110 WeakPolarHBondContact O-CB 3.33Å; A106-I110 WeakPolarHBondContact O-CG1 3.18Å; A106-I110 PolarHBondContact O-N 2.97Å; A106-L141 HydrophobicContact CB-CB 4.12Å |
| 107 | G | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.6 | -38.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G29 G33 G103 L104 A105 G111 | G29-G107 WeakPolarHBondContact O-CA 3.36Å; G33-G107 WeakPolarHBondContact CA-O 3.48Å; G103-G107 PolarHBondContact O-N 3.24Å; L104-G107 PolarHBondContact O-N 3.44Å; A105-G107 VanDerWaalsContact C-N 3.35Å; A105-G107 PolarHBondContact O-N 3.34Å; G107-G111 PolarHBondContact O-N 3.05Å |
| 108 | F | 97.8 | Very high | 97.1 | Very high | 87 Ų | 87 | 28.5 Ų | 28.5 | 38% | 0.382 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 172.1 | -87.7 | -74 | 0 | 0 | 0 | 112.4 | Y32 L104 A105 A106 G111 I112 | Y32-F108 HydrophobicContact CD1-CB 4.42Å; Y32-F108 AromaticContact CD1-CD1 3.46Å; Y32-F108 HydrophobicContact CD1-CD1 3.46Å; Y32-F108 VanDerWaalsContact CD1-CD1 3.46Å; Y32-F108 AromaticContact CD1-CE1 3.81Å; Y32-F108 HydrophobicContact CD1-CE1 3.81Å; Y32-F108 HydrophobicContact CD1-CG 4.01Å; Y32-F108 HydrophobicContact CD2-CD1 4.19Å; Y32-F108 AromaticContact CD2-CE1 3.68Å; Y32-F108 HydrophobicContact CD2-CE1 3.68Å; Y32-F108 HydrophobicContact CD2-CZ 4.31Å; Y32-F108 HydrophobicContact CE1-CB 4.36Å; Y32-F108 AromaticContact CE1-CD1 3.21Å; Y32-F108 HydrophobicContact CE1-CD1 3.21Å; Y32-F108 AromaticContact CE1-CE1 3.71Å; Y32-F108 HydrophobicContact CE1-CE1 3.71Å; Y32-F108 HydrophobicContact CE1-CG 4.06Å; Y32-F108 AromaticContact CE2-CD1 3.99Å; Y32-F108 HydrophobicContact CE2-CD1 3.99Å; Y32-F108 AromaticContact CE2-CE1 3.57Å; Y32-F108 HydrophobicContact CE2-CE1 3.57Å; Y32-F108 AromaticContact CG-CD1 3.94Å; Y32-F108 HydrophobicContact CG-CD1 3.94Å; Y32-F108 AromaticContact CG-CE1 3.78Å; Y32-F108 HydrophobicContact CG-CE1 3.78Å; Y32-F108 HydrophobicContact CG-CZ 4.33Å; Y32-F108 AromaticContact CZ-CD1 3.49Å; Y32-F108 VanDerWaalsContact CZ-CD1 3.49Å; Y32-F108 AromaticContact CZ-CE1 3.57Å; L104-F108 HydrophobicContact CD1-CD2 4.02Å; L104-F108 HydrophobicContact CD1-CE2 3.57Å; L104-F108 HydrophobicContact CD2-CE2 4.43Å; L104-F108 HydrophobicContact CG-CD2 4.01Å; L104-F108 HydrophobicContact CG-CE2 3.79Å; L104-F108 VanDerWaalsContact O-CD2 3.23Å; L104-F108 WeakPolarHBondContact O-CD2 3.44Å; L104-F108 PolarHBondContact O-N 2.85Å; A105-F108 PolarHBondContact O-N 3.21Å; A106-F108 VanDerWaalsContact C-N 3.35Å; A106-F108 PolarHBondContact O-N 3.1Å; F108-G111 PolarHBondContact O-N 2.92Å; F108-I112 WeakPolarHBondContact O-CG1 3.46Å; F108-I112 PolarHBondContact O-N 2.91Å; F108-I112 VanDerWaalsContact O-N 3.17Å |
| 109 | A | 97.5 | Very high | 97 | Very high | 32 Ų | 32 | 32.2 Ų | 32.2 | 26% | 0.264 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.6 | -49.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A105 A106 G111 I112 V113 A138 | A105-A109 PolarHBondContact O-N 3.45Å; A105-A109 VanDerWaalsContact O-N 3.09Å; A106-A109 PolarHBondContact O-N 2.93Å; A109-G111 VanDerWaalsContact C-N 3.34Å; A109-G111 PolarHBondContact O-N 3.28Å; A109-I112 PolarHBondContact O-N 2.98Å; A109-V113 WeakPolarHBondContact O-CB 3.41Å; A109-V113 VanDerWaalsContact O-CG2 3.26Å; A109-V113 WeakPolarHBondContact O-CG2 3.43Å; A109-V113 PolarHBondContact O-N 3.27Å; A109-A138 HydrophobicContact CB-CB 3.94Å |
| 110 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 177.9 | -70.1 | 174.3 | 0 | 0 | 0 | 111.2 | P58 M61 A62 I65 A106 G114 L135 A138 E139 | P58-I110 WeakPolarHBondContact O-CG2 3.37Å; M61-I110 HydrophobicContact CB-CD1 4.25Å; A62-I110 HydrophobicContact CB-CG2 4.08Å; I65-I110 HydrophobicContact CD1-CD1 3.66Å; A106-I110 WeakPolarHBondContact O-CB 3.33Å; A106-I110 WeakPolarHBondContact O-CG1 3.18Å; A106-I110 PolarHBondContact O-N 2.97Å; I110-G114 WeakPolarHBondContact O-CA 3.3Å; I110-G114 PolarHBondContact O-N 3.44Å; I110-L135 HydrophobicContact CB-CD2 4.28Å; I110-L135 HydrophobicContact CG1-CD2 4.28Å; I110-L135 HydrophobicContact CG2-CD2 4.03Å; I110-A138 HydrophobicContact CG1-CB 3.91Å; I110-E139 HydrophobicContact CD1-CB 4.25Å |
| 111 | G | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K36 G107 F108 A109 D115 | K36-G111 WeakPolarHBondContact CB-O 3.34Å; G107-G111 PolarHBondContact O-N 3.05Å; F108-G111 PolarHBondContact O-N 2.92Å; A109-G111 VanDerWaalsContact C-N 3.34Å; A109-G111 PolarHBondContact O-N 3.28Å; G111-D115 WeakPolarHBondContact O-CB 3.33Å; G111-D115 PolarHBondContact O-N 2.92Å |
| 112 | I | 97.7 | Very high | 96.2 | Very high | 94 Ų | 94 | 30.2 Ų | 30.2 | 48% | 0.482 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -72.2 | -46.5 | -178.4 | -63.8 | 169.3 | 0 | 0 | 0 | 110.5 | Y32 F108 A109 G114 D115 A116 | Y32-I112 HydrophobicContact CE1-CG1 4.25Å; F108-I112 WeakPolarHBondContact O-CG1 3.46Å; F108-I112 PolarHBondContact O-N 2.91Å; F108-I112 VanDerWaalsContact O-N 3.17Å; A109-I112 PolarHBondContact O-N 2.98Å; I112-G114 VanDerWaalsContact C-N 3.29Å; I112-G114 PolarHBondContact O-N 3.19Å; I112-D115 PolarHBondContact O-N 3.36Å; I112-A116 PolarHBondContact O-N 3.36Å; I112-A116 VanDerWaalsContact O-N 3.11Å |
| 113 | V | 97.3 | Very high | 96 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 24% | 0.236 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -38.7 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | A109 G117 I134 L135 | A109-V113 WeakPolarHBondContact O-CB 3.41Å; A109-V113 VanDerWaalsContact O-CG2 3.26Å; A109-V113 WeakPolarHBondContact O-CG2 3.43Å; A109-V113 PolarHBondContact O-N 3.27Å; V113-G117 WeakPolarHBondContact O-CA 3.21Å; V113-G117 PolarHBondContact O-N 3.43Å; V113-I134 HydrophobicContact CB-CG2 4.44Å; V113-I134 HydrophobicContact CG1-CB 4.08Å; V113-I134 HydrophobicContact CG1-CG2 3.63Å; V113-I134 HydrophobicContact CG2-CG2 3.94Å; V113-L135 HydrophobicContact CB-CD2 4.08Å; V113-L135 HydrophobicContact CG1-CD2 3.82Å; V113-L135 HydrophobicContact CG1-CG 4.06Å |
| 114 | G | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61 | -53.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I110 I112 A116 G117 V118 | I110-G114 WeakPolarHBondContact O-CA 3.3Å; I110-G114 PolarHBondContact O-N 3.44Å; I112-G114 VanDerWaalsContact C-N 3.29Å; I112-G114 PolarHBondContact O-N 3.19Å; G114-A116 PolarHBondContact O-N 2.81Å; G114-G117 PolarHBondContact O-N 3.16Å; G114-V118 WeakPolarHBondContact O-CG1 3.31Å; G114-V118 VanDerWaalsContact O-CG2 3.26Å; G114-V118 WeakPolarHBondContact O-CG2 3.32Å; G114-V118 PolarHBondContact O-N 2.92Å |
| 115 | D | 96.3 | Very high | 95.4 | Very high | 26 Ų | 26 | 44 Ų | 44 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 178.8 | -177.1 | 36.2 | 0 | 0 | 0 | 112.3 | K36 G40 G111 I112 V118 R119 | K36-D115 IonicContact NZ-OD2 3.97Å; G40-D115 WeakPolarHBondContact CA-OD1 3.28Å; G40-D115 PolarHBondContact N-OD1 3.36Å; G111-D115 WeakPolarHBondContact O-CB 3.33Å; G111-D115 PolarHBondContact O-N 2.92Å; I112-D115 PolarHBondContact O-N 3.36Å; D115-V118 WeakPolarHBondContact O-CG2 3.47Å; D115-R119 WeakPolarHBondContact O-CD 3.35Å; D115-R119 VanDerWaalsContact O-CG 3.25Å; D115-R119 WeakPolarHBondContact O-CG 3.35Å; D115-R119 PolarHBondContact O-N 3.26Å; D115-R119 IonicContact OD1-CZ 3.5Å; D115-R119 IonicContact OD1-NE 2.81Å; D115-R119 PolarHBondContact OD1-NE 2.96Å; D115-R119 IonicContact OD1-NH2 3.28Å; D115-R119 PolarHBondContact OD1-NH2 3.12Å; D115-R119 IonicContact OD2-NE 3.99Å |
| 116 | A | 96 | Very high | 95.2 | Very high | 63 Ų | 63 | 52 Ų | 52 | 52% | 0.521 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I112 G114 G120 | I112-A116 PolarHBondContact O-N 3.36Å; I112-A116 VanDerWaalsContact O-N 3.11Å; G114-A116 PolarHBondContact O-N 2.81Å; A116-G120 PolarHBondContact O-N 3.35Å |
| 117 | G | 95 | Very high | 95 | Very high | 15 Ų | 15 | 56.1 Ų | 56.1 | 16% | 0.155 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.3 | -42.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V113 G114 G120 T121 | V113-G117 WeakPolarHBondContact O-CA 3.21Å; V113-G117 PolarHBondContact O-N 3.43Å; G114-G117 PolarHBondContact O-N 3.16Å; G117-G120 PolarHBondContact O-N 2.97Å; G117-T121 VanDerWaalsContact O-CB 3.29Å; G117-T121 WeakPolarHBondContact O-CB 3.49Å; G117-T121 PolarHBondContact O-N 3.39Å; G117-T121 PolarHBondContact O-OG1 2.91Å |
| 118 | V | 95.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.2 | -37.7 | 177.9 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | I41 P58 G114 D115 T121 A122 M131 | I41-V118 HydrophobicContact CG1-CG1 4.15Å; I41-V118 HydrophobicContact CG1-CG2 4.39Å; P58-V118 HydrophobicContact CG-CG1 4.24Å; G114-V118 WeakPolarHBondContact O-CG1 3.31Å; G114-V118 VanDerWaalsContact O-CG2 3.26Å; G114-V118 WeakPolarHBondContact O-CG2 3.32Å; G114-V118 PolarHBondContact O-N 2.92Å; D115-V118 WeakPolarHBondContact O-CG2 3.47Å; V118-T121 PolarHBondContact O-N 3.46Å; V118-A122 PolarHBondContact O-N 3.27Å; V118-A122 VanDerWaalsContact O-N 3.13Å; V118-M131 HydrophobicContact CG1-SD 4.14Å |
| 119 | R | 93.8 | Very high | 94.6 | Very high | 113 Ų | 113 | 58.5 Ų | 58.5 | 43% | 0.426 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.9 | -43.4 | 174.4 | -68.5 | 173 | -172.2 | -101.9 | -0 | 112 | D115 A122 | D115-R119 WeakPolarHBondContact O-CD 3.35Å; D115-R119 VanDerWaalsContact O-CG 3.25Å; D115-R119 WeakPolarHBondContact O-CG 3.35Å; D115-R119 PolarHBondContact O-N 3.26Å; D115-R119 IonicContact OD1-CZ 3.5Å; D115-R119 IonicContact OD1-NE 2.81Å; D115-R119 PolarHBondContact OD1-NE 2.96Å; D115-R119 IonicContact OD1-NH2 3.28Å; D115-R119 PolarHBondContact OD1-NH2 3.12Å; D115-R119 IonicContact OD2-NE 3.99Å; R119-A122 VanDerWaalsContact O-CB 3.24Å; R119-A122 WeakPolarHBondContact O-CB 3.34Å; R119-A122 PolarHBondContact O-N 3.21Å |
| 120 | G | 93.1 | Very high | 94.5 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 22% | 0.216 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | A116 G117 A122 Q123 Q124 | A116-G120 PolarHBondContact O-N 3.35Å; G117-G120 PolarHBondContact O-N 2.97Å; G120-A122 PolarHBondContact O-N 3.46Å; G120-Q123 PolarHBondContact O-N 3.03Å; G120-Q123 VanDerWaalsContact O-N 3.11Å; G120-Q124 PolarHBondContact O-N 3.21Å |
| 121 | T | 92.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -31.6 | 176.2 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | G117 V118 Q123 Q124 F128 | G117-T121 VanDerWaalsContact O-CB 3.29Å; G117-T121 WeakPolarHBondContact O-CB 3.49Å; G117-T121 PolarHBondContact O-N 3.39Å; G117-T121 PolarHBondContact O-OG1 2.91Å; V118-T121 PolarHBondContact O-N 3.46Å; T121-Q123 VanDerWaalsContact C-N 3.27Å; T121-Q123 PolarHBondContact O-N 2.71Å; T121-Q124 CarbonylContact O-C 3.58Å; T121-F128 HydrophobicContact CG2-CB 3.82Å; T121-F128 HydrophobicContact CG2-CD2 4.1Å; T121-F128 HydrophobicContact CG2-CG 4.4Å |
| 122 | A | 91.5 | Very high | 94.3 | Very high | 19 Ų | 19 | 60.8 Ų | 60.8 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M44 R48 V118 R119 G120 | M44-A122 HydrophobicContact CB-CB 4.45Å; M44-A122 HydrophobicContact CG-CB 3.42Å; M44-A122 VanDerWaalsContact CG-CB 3.42Å; R48-A122 PolarHBondContact NE-O 3.26Å; V118-A122 PolarHBondContact O-N 3.27Å; V118-A122 VanDerWaalsContact O-N 3.13Å; R119-A122 VanDerWaalsContact O-CB 3.24Å; R119-A122 WeakPolarHBondContact O-CB 3.34Å; R119-A122 PolarHBondContact O-N 3.21Å; G120-A122 PolarHBondContact O-N 3.46Å |
| 123 | Q | 92.1 | Very high | 94.2 | Very high | 172 Ų | 172 | 60.8 Ų | 60.8 | 80% | 0.804 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -81 | -46.3 | 178.1 | -64.3 | -169.1 | -21.9 | 0 | 0 | 111.7 | G120 T121 | G120-Q123 PolarHBondContact O-N 3.03Å; G120-Q123 VanDerWaalsContact O-N 3.11Å; T121-Q123 VanDerWaalsContact C-N 3.27Å; T121-Q123 PolarHBondContact O-N 2.71Å |
| 124 | Q | 93.7 | Very high | 94.2 | Very high | 109 Ų | 109 | 63.5 Ų | 63.5 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | trans | -134.1 | 102.6 | -179 | 172.2 | 171.5 | -36.8 | 0 | 0 | 110.8 | G120 T121 R126 L127 | G120-Q124 PolarHBondContact O-N 3.21Å; T121-Q124 CarbonylContact O-C 3.58Å; Q124-R126 HydrophobicContact CG-CB 4.25Å; Q124-R126 PolarHBondContact O-N 3.42Å; Q124-L127 HydrophobicContact CB-CD1 3.7Å; Q124-L127 HydrophobicContact CG-CD1 3.86Å; Q124-L127 WeakPolarHBondContact O-CB 3.5Å; Q124-L127 PolarHBondContact O-N 2.89Å | ||
| 125 | P | 90.4 | Very high | 94.2 | Very high | 74 Ų | 74 | 63.5 Ų | 63.5 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.2 | -175.6 | -28.4 | 35.7 | 0 | 0 | 0 | 115.2 | L127 F128 | P125-L127 PolarHBondContact O-N 3.44Å; P125-F128 VanDerWaalsContact O-CB 3.23Å; P125-F128 WeakPolarHBondContact O-CB 3.49Å; P125-F128 PolarHBondContact O-N 3.37Å |
| 126 | R | 92.5 | Very high | 94.3 | Very high | 221 Ų | 221 | 65.8 Ų | 65.8 | 83% | 0.834 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.9 | 177 | -66.1 | -178.4 | 179.6 | 173.8 | -0.3 | 113.2 | Q124 F128 | Q124-R126 HydrophobicContact CG-CB 4.25Å; Q124-R126 PolarHBondContact O-N 3.42Å; R126-F128 PolarHBondContact O-N 3.39Å |
| 127 | L | 93.1 | Very high | 94.3 | Very high | 86 Ų | 86 | 70.3 Ų | 70.3 | 45% | 0.45 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.9 | -16.4 | 175.2 | -86.5 | 126.9 | 0 | 0 | 0 | 113.4 | Q124 P125 V129 G130 M131 | Q124-L127 HydrophobicContact CB-CD1 3.7Å; Q124-L127 HydrophobicContact CG-CD1 3.86Å; Q124-L127 WeakPolarHBondContact O-CB 3.5Å; Q124-L127 PolarHBondContact O-N 2.89Å; P125-L127 PolarHBondContact O-N 3.44Å; L127-V129 VanDerWaalsContact C-N 3.31Å; L127-V129 PolarHBondContact O-N 3.43Å; L127-G130 PolarHBondContact O-N 2.98Å; L127-G130 VanDerWaalsContact O-N 3.09Å; L127-M131 PolarHBondContact O-N 2.69Å |
| 128 | F | 92.6 | Very high | 94.4 | Very high | 40 Ų | 40 | 70 Ų | 70 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.6 | -45.7 | -178.1 | -177.8 | -113.8 | 0 | 0 | 0 | 112.9 | K54 I57 T121 P125 R126 M131 I132 | K54-F128 HydrophobicContact CB-CE2 3.89Å; K54-F128 HydrophobicContact CB-CZ 3.89Å; K54-F128 HydrophobicContact CG-CZ 4.44Å; K54-F128 VanDerWaalsContact O-CE2 3.28Å; K54-F128 WeakPolarHBondContact O-CE2 3.14Å; I57-F128 HydrophobicContact CD1-CE2 4.19Å; I57-F128 HydrophobicContact CD1-CZ 3.6Å; T121-F128 HydrophobicContact CG2-CB 3.82Å; T121-F128 HydrophobicContact CG2-CD2 4.1Å; T121-F128 HydrophobicContact CG2-CG 4.4Å; P125-F128 VanDerWaalsContact O-CB 3.23Å; P125-F128 WeakPolarHBondContact O-CB 3.49Å; P125-F128 PolarHBondContact O-N 3.37Å; R126-F128 PolarHBondContact O-N 3.39Å; F128-M131 HydrophobicContact CD2-CE 3.73Å; F128-M131 HydrophobicContact CE2-CE 3.84Å; F128-M131 PolarHBondContact O-N 3.35Å; F128-I132 HydrophobicContact CD1-CD1 4Å; F128-I132 HydrophobicContact CE1-CD1 3.53Å; F128-I132 HydrophobicContact CE2-CD1 4.23Å; F128-I132 HydrophobicContact CZ-CD1 3.68Å; F128-I132 HydrophobicContact CZ-CG1 4.5Å; F128-I132 WeakPolarHBondContact O-CG1 3.46Å; F128-I132 PolarHBondContact O-N 2.92Å; F128-I132 VanDerWaalsContact O-N 3.11Å |
| 129 | V | 94.8 | Very high | 94.4 | Very high | 97 Ų | 97 | 71.5 Ų | 71.5 | 59% | 0.588 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | 179.6 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | L127 I132 L133 | L127-V129 VanDerWaalsContact C-N 3.31Å; L127-V129 PolarHBondContact O-N 3.43Å; V129-I132 PolarHBondContact O-N 3.45Å; V129-L133 HydrophobicContact CG1-CD1 4.5Å; V129-L133 WeakPolarHBondContact O-CG 2.96Å; V129-L133 PolarHBondContact O-N 3.33Å; V129-L133 VanDerWaalsContact O-N 3.12Å |
| 130 | G | 95.1 | Very high | 94.6 | Very high | 34 Ų | 34 | 67.7 Ų | 67.7 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L127 I132 L133 I134 | L127-G130 PolarHBondContact O-N 2.98Å; L127-G130 VanDerWaalsContact O-N 3.09Å; G130-I132 PolarHBondContact O-N 2.97Å; G130-L133 PolarHBondContact O-N 2.98Å; G130-I134 WeakPolarHBondContact O-CG1 3.34Å; G130-I134 PolarHBondContact O-N 2.92Å; G130-I134 VanDerWaalsContact O-N 3.15Å |
| 131 | M | 95.2 | Very high | 94.7 | Very high | 7 Ų | 7 | 70.4 Ų | 70.4 | 3% | 0.034 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 174.4 | 178.2 | -167.3 | 72 | 0 | 0 | 111.4 | P58 V118 L127 F128 L133 I134 L135 | P58-M131 HydrophobicContact CG-CE 4.4Å; P58-M131 HydrophobicContact CG-SD 4.45Å; V118-M131 HydrophobicContact CG1-SD 4.14Å; L127-M131 PolarHBondContact O-N 2.69Å; F128-M131 HydrophobicContact CD2-CE 3.73Å; F128-M131 HydrophobicContact CE2-CE 3.84Å; F128-M131 PolarHBondContact O-N 3.35Å; M131-L133 VanDerWaalsContact C-N 3.34Å; M131-L133 PolarHBondContact O-N 3.36Å; M131-I134 PolarHBondContact O-N 3.26Å; M131-L135 HydrophobicContact CE-CD1 4.38Å; M131-L135 HydrophobicContact CG-CD1 3.89Å; M131-L135 HydrophobicContact CG-CG 4.43Å; M131-L135 VanDerWaalsContact O-CG 3.3Å; M131-L135 WeakPolarHBondContact O-CG 3.44Å; M131-L135 PolarHBondContact O-N 3.34Å; M131-L135 HydrophobicContact SD-CD1 4.45Å |
| 132 | I | 96.1 | Very high | 94.8 | Very high | 39 Ų | 39 | 70.1 Ų | 70.1 | 20% | 0.2 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 179.1 | -67.3 | 172.7 | 0 | 0 | 0 | 111.1 | I57 F128 V129 G130 I134 L135 I136 | I57-I132 HydrophobicContact CD1-CD1 3.93Å; I57-I132 HydrophobicContact CD1-CG1 4.42Å; F128-I132 HydrophobicContact CD1-CD1 4Å; F128-I132 HydrophobicContact CE1-CD1 3.53Å; F128-I132 HydrophobicContact CE2-CD1 4.23Å; F128-I132 HydrophobicContact CZ-CD1 3.68Å; F128-I132 HydrophobicContact CZ-CG1 4.5Å; F128-I132 WeakPolarHBondContact O-CG1 3.46Å; F128-I132 PolarHBondContact O-N 2.92Å; F128-I132 VanDerWaalsContact O-N 3.11Å; V129-I132 PolarHBondContact O-N 3.45Å; G130-I132 PolarHBondContact O-N 2.97Å; I132-I134 VanDerWaalsContact C-N 3.31Å; I132-I134 PolarHBondContact O-N 2.98Å; I132-L135 PolarHBondContact O-N 3.26Å; I132-L135 VanDerWaalsContact O-N 3.17Å; I132-I136 HydrophobicContact CG2-CD1 3.91Å; I132-I136 HydrophobicContact CG2-CG1 4.38Å; I132-I136 WeakPolarHBondContact O-CG1 3.48Å; I132-I136 PolarHBondContact O-N 2.75Å |
| 133 | L | 96.3 | Very high | 95 | Very high | 95 Ų | 95 | 71.8 Ų | 71.8 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 179.2 | -70 | 171.4 | 0 | 0 | 0 | 111.8 | V129 G130 M131 I136 F137 | V129-L133 HydrophobicContact CG1-CD1 4.5Å; V129-L133 WeakPolarHBondContact O-CG 2.96Å; V129-L133 PolarHBondContact O-N 3.33Å; V129-L133 VanDerWaalsContact O-N 3.12Å; G130-L133 PolarHBondContact O-N 2.98Å; M131-L133 VanDerWaalsContact C-N 3.34Å; M131-L133 PolarHBondContact O-N 3.36Å; L133-I136 PolarHBondContact O-N 3.42Å; L133-F137 WeakPolarHBondContact O-CD2 3.35Å; L133-F137 PolarHBondContact O-N 3.49Å |
| 134 | I | 97 | Very high | 95.2 | Very high | 95 Ų | 95 | 70.4 Ų | 70.4 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 176.7 | -60.3 | 164.4 | 0 | 0 | 0 | 110.6 | V113 G130 M131 I132 I136 F137 A138 | V113-I134 HydrophobicContact CB-CG2 4.44Å; V113-I134 HydrophobicContact CG1-CB 4.08Å; V113-I134 HydrophobicContact CG1-CG2 3.63Å; V113-I134 HydrophobicContact CG2-CG2 3.94Å; G130-I134 WeakPolarHBondContact O-CG1 3.34Å; G130-I134 PolarHBondContact O-N 2.92Å; G130-I134 VanDerWaalsContact O-N 3.15Å; M131-I134 PolarHBondContact O-N 3.26Å; I132-I134 VanDerWaalsContact C-N 3.31Å; I132-I134 PolarHBondContact O-N 2.98Å; I134-I136 VanDerWaalsContact C-N 3.32Å; I134-I136 PolarHBondContact O-N 3.44Å; I134-F137 PolarHBondContact O-N 3.4Å; I134-A138 PolarHBondContact O-N 2.96Å |
| 135 | L | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.6 | -35.7 | 178.9 | -70.4 | 169.6 | 0 | 0 | 0 | 112.6 | P58 M61 I110 V113 M131 I132 A138 E139 | P58-L135 HydrophobicContact CB-CD1 3.93Å; P58-L135 HydrophobicContact CB-CD2 4.39Å; P58-L135 HydrophobicContact CG-CD1 3.7Å; M61-L135 HydrophobicContact SD-CB 3.66Å; M61-L135 HydrophobicContact SD-CD1 4.34Å; I110-L135 HydrophobicContact CB-CD2 4.28Å; I110-L135 HydrophobicContact CG1-CD2 4.28Å; I110-L135 HydrophobicContact CG2-CD2 4.03Å; V113-L135 HydrophobicContact CB-CD2 4.08Å; V113-L135 HydrophobicContact CG1-CD2 3.82Å; V113-L135 HydrophobicContact CG1-CG 4.06Å; M131-L135 HydrophobicContact CE-CD1 4.38Å; M131-L135 HydrophobicContact CG-CD1 3.89Å; M131-L135 HydrophobicContact CG-CG 4.43Å; M131-L135 VanDerWaalsContact O-CG 3.3Å; M131-L135 WeakPolarHBondContact O-CG 3.44Å; M131-L135 PolarHBondContact O-N 3.34Å; M131-L135 HydrophobicContact SD-CD1 4.45Å; I132-L135 PolarHBondContact O-N 3.26Å; I132-L135 VanDerWaalsContact O-N 3.17Å; L135-A138 PolarHBondContact O-N 3.15Å; L135-E139 WeakPolarHBondContact O-CB 3.43Å; L135-E139 PolarHBondContact O-N 3.41Å |
| 136 | I | 97.2 | Very high | 95.7 | Very high | 74 Ų | 74 | 63 Ų | 63 | 38% | 0.379 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 173.6 | -68.9 | 164.9 | 0 | 0 | 0 | 110.3 | M61 I132 L133 I134 A138 E139 V140 | M61-I136 HydrophobicContact CE-CG1 4.3Å; I132-I136 HydrophobicContact CG2-CD1 3.91Å; I132-I136 HydrophobicContact CG2-CG1 4.38Å; I132-I136 WeakPolarHBondContact O-CG1 3.48Å; I132-I136 PolarHBondContact O-N 2.75Å; L133-I136 PolarHBondContact O-N 3.42Å; I134-I136 VanDerWaalsContact C-N 3.32Å; I134-I136 PolarHBondContact O-N 3.44Å; I136-A138 VanDerWaalsContact C-N 3.28Å; I136-A138 PolarHBondContact O-N 3.37Å; I136-E139 PolarHBondContact O-N 3.5Å; I136-V140 VanDerWaalsContact O-CG2 3.29Å; I136-V140 WeakPolarHBondContact O-CG2 3.49Å; I136-V140 PolarHBondContact O-N 3.28Å |
| 137 | F | 96.8 | Very high | 95.9 | Very high | 158 Ų | 158 | 56.9 Ų | 56.9 | 69% | 0.693 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.3 | -34.5 | 177.2 | -75.9 | -68.1 | 0 | 0 | 0 | 113 | L133 I134 | L133-F137 WeakPolarHBondContact O-CD2 3.35Å; L133-F137 PolarHBondContact O-N 3.49Å; I134-F137 PolarHBondContact O-N 3.4Å |
| 138 | A | 96.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68 | -37.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A109 I110 I134 L135 I136 L141 | A109-A138 HydrophobicContact CB-CB 3.94Å; I110-A138 HydrophobicContact CG1-CB 3.91Å; I134-A138 PolarHBondContact O-N 2.96Å; L135-A138 PolarHBondContact O-N 3.15Å; I136-A138 VanDerWaalsContact C-N 3.28Å; I136-A138 PolarHBondContact O-N 3.37Å; A138-L141 WeakPolarHBondContact O-CB 3.49Å; A138-L141 WeakPolarHBondContact O-CG 3.46Å; A138-L141 PolarHBondContact O-N 2.94Å |
| 139 | E | 96 | Very high | 96.2 | Very high | 32 Ų | 32 | 54.2 Ų | 54.2 | 15% | 0.15 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.3 | -35.9 | 179.8 | -178.2 | -101.7 | -167.4 | 0 | 0 | 112.5 | Y68 I110 L135 I136 L141 G142 L143 | Y68-E139 PolarHBondContact OH-OE1 3.04Å; I110-E139 HydrophobicContact CD1-CB 4.25Å; L135-E139 WeakPolarHBondContact O-CB 3.43Å; L135-E139 PolarHBondContact O-N 3.41Å; I136-E139 PolarHBondContact O-N 3.5Å; E139-L141 PolarHBondContact O-N 3.48Å; E139-L141 VanDerWaalsContact O-N 3.09Å; E139-G142 WeakPolarHBondContact O-CA 3.4Å; E139-G142 PolarHBondContact O-N 3.37Å; E139-L143 PolarHBondContact O-N 3.06Å |
| 140 | V | 97.1 | Very high | 96.2 | Very high | 34 Ų | 34 | 52.8 Ų | 52.8 | 21% | 0.206 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.5 | -26.5 | 176.3 | 174.3 | 0 | 0 | 0 | 0 | 112.5 | I136 G142 L143 Y144 | I136-V140 VanDerWaalsContact O-CG2 3.29Å; I136-V140 WeakPolarHBondContact O-CG2 3.49Å; I136-V140 PolarHBondContact O-N 3.28Å; V140-G142 VanDerWaalsContact C-N 3.27Å; V140-G142 PolarHBondContact O-N 3.34Å; V140-L143 HydrophobicContact CG2-CD1 4.44Å; V140-L143 WeakPolarHBondContact O-CB 3.29Å; V140-L143 PolarHBondContact O-N 3.5Å; V140-Y144 HydrophobicContact CG1-CD1 4.03Å; V140-Y144 HydrophobicContact CG1-CD2 4.31Å; V140-Y144 HydrophobicContact CG1-CE1 3.38Å; V140-Y144 HydrophobicContact CG1-CE2 3.71Å; V140-Y144 HydrophobicContact CG1-CG 4.46Å; V140-Y144 WeakPolarHBondContact CG1-OH 3.49Å; V140-Y144 PolarHBondContact O-N 3.49Å |
| 141 | L | 95.4 | Very high | 96.3 | Very high | 78 Ų | 78 | 55.5 Ų | 55.5 | 41% | 0.408 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.7 | -37.9 | 172.9 | -58.2 | 175.5 | 0 | 0 | 0 | 112.3 | A106 A138 E139 | A106-L141 HydrophobicContact CB-CB 4.12Å; A138-L141 WeakPolarHBondContact O-CB 3.49Å; A138-L141 WeakPolarHBondContact O-CG 3.46Å; A138-L141 PolarHBondContact O-N 2.94Å; E139-L141 PolarHBondContact O-N 3.48Å; E139-L141 VanDerWaalsContact O-N 3.09Å |
| 142 | G | 94.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.3 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E139 V140 Y144 G145 L146 | E139-G142 WeakPolarHBondContact O-CA 3.4Å; E139-G142 PolarHBondContact O-N 3.37Å; V140-G142 VanDerWaalsContact C-N 3.27Å; V140-G142 PolarHBondContact O-N 3.34Å; G142-Y144 VanDerWaalsContact C-N 3.31Å; G142-Y144 PolarHBondContact O-N 3.41Å; G142-G145 PolarHBondContact O-N 3.27Å; G142-L146 PolarHBondContact O-N 3.03Å; G142-L146 VanDerWaalsContact O-N 3.11Å |
| 143 | L | 96.3 | Very high | 95.8 | Very high | 53 Ų | 53 | 56.8 Ų | 56.8 | 28% | 0.277 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 176.9 | -76.4 | 172.7 | 0 | 0 | 0 | 112.6 | Y68 E139 V140 G145 L146 I147 | Y68-L143 HydrophobicContact CE1-CD2 4.08Å; Y68-L143 HydrophobicContact CE2-CD2 3.98Å; Y68-L143 HydrophobicContact CE2-CG 4.1Å; Y68-L143 VanDerWaalsContact CZ-CD2 3.49Å; Y68-L143 WeakPolarHBondContact OH-CD2 3.21Å; Y68-L143 WeakPolarHBondContact OH-CG 3.4Å; E139-L143 PolarHBondContact O-N 3.06Å; V140-L143 HydrophobicContact CG2-CD1 4.44Å; V140-L143 WeakPolarHBondContact O-CB 3.29Å; V140-L143 PolarHBondContact O-N 3.5Å; L143-G145 PolarHBondContact O-N 3.42Å; L143-L146 WeakPolarHBondContact O-CB 3.38Å; L143-L146 PolarHBondContact O-N 2.97Å; L143-I147 WeakPolarHBondContact O-CG1 3.48Å; L143-I147 PolarHBondContact O-N 3.38Å |
| 144 | Y | 97.1 | Very high | 95.4 | Very high | 143 Ų | 143 | 58 Ų | 58 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -59.8 | -45.2 | 176.5 | -64.8 | -26.3 | 0 | 0 | 0 | 112.3 | V140 G142 L146 I147 V148 | V140-Y144 HydrophobicContact CG1-CD1 4.03Å; V140-Y144 HydrophobicContact CG1-CD2 4.31Å; V140-Y144 HydrophobicContact CG1-CE1 3.38Å; V140-Y144 HydrophobicContact CG1-CE2 3.71Å; V140-Y144 HydrophobicContact CG1-CG 4.46Å; V140-Y144 WeakPolarHBondContact CG1-OH 3.49Å; V140-Y144 PolarHBondContact O-N 3.49Å; G142-Y144 VanDerWaalsContact C-N 3.31Å; G142-Y144 PolarHBondContact O-N 3.41Å; Y144-L146 VanDerWaalsContact C-N 3.33Å; Y144-L146 PolarHBondContact O-N 3.24Å; Y144-I147 PolarHBondContact O-N 3.49Å; Y144-V148 WeakPolarHBondContact O-CG2 3.21Å; Y144-V148 PolarHBondContact O-N 3.31Å; Y144-V148 VanDerWaalsContact O-N 3.12Å |
| 145 | G | 96.4 | Very high | 94.5 | Very high | 5 Ų | 5 | 61 Ų | 61 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.7 | -34 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | S98 S102 G142 L143 A149 | S98-G145 PolarHBondContact OG-O 3.13Å; S102-G145 WeakPolarHBondContact OG-CA 3.33Å; G142-G145 PolarHBondContact O-N 3.27Å; L143-G145 PolarHBondContact O-N 3.42Å; G145-A149 WeakPolarHBondContact O-CB 3.49Å; G145-A149 PolarHBondContact O-N 2.98Å |
| 146 | L | 96.8 | Very high | 94.4 | Very high | 24 Ų | 24 | 64.1 Ų | 64.1 | 13% | 0.126 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63 | -48.2 | 172.7 | 176.5 | 64.4 | 0 | 0 | 0 | 111.7 | Y68 V72 V99 G142 L143 Y144 V148 A149 L150 | Y68-L146 HydrophobicContact CD1-CD2 3.67Å; Y68-L146 HydrophobicContact CE1-CD2 4.12Å; Y68-L146 HydrophobicContact CG-CD2 3.97Å; V72-L146 HydrophobicContact CG2-CD1 3.54Å; V99-L146 HydrophobicContact CG2-CB 4.33Å; V99-L146 HydrophobicContact CG2-CD1 4.48Å; G142-L146 PolarHBondContact O-N 3.03Å; G142-L146 VanDerWaalsContact O-N 3.11Å; L143-L146 WeakPolarHBondContact O-CB 3.38Å; L143-L146 PolarHBondContact O-N 2.97Å; Y144-L146 VanDerWaalsContact C-N 3.33Å; Y144-L146 PolarHBondContact O-N 3.24Å; L146-V148 VanDerWaalsContact C-N 3.31Å; L146-V148 PolarHBondContact O-N 2.92Å; L146-A149 WeakPolarHBondContact O-CB 3.47Å; L146-A149 PolarHBondContact O-N 3.41Å; L146-A149 VanDerWaalsContact O-N 3.16Å; L146-L150 HydrophobicContact CD1-CD1 4.31Å; L146-L150 HydrophobicContact CD1-CG 4.22Å; L146-L150 HydrophobicContact CG-CD1 4.18Å; L146-L150 HydrophobicContact CG-CG 4.48Å; L146-L150 WeakPolarHBondContact O-CG 3.39Å; L146-L150 PolarHBondContact O-N 3.2Å |
| 147 | I | 96.9 | Very high | 94.2 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 47% | 0.467 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 179.5 | -67.9 | 165.4 | 0 | 0 | 0 | 110.4 | L143 Y144 A149 L150 I151 | L143-I147 WeakPolarHBondContact O-CG1 3.48Å; L143-I147 PolarHBondContact O-N 3.38Å; Y144-I147 PolarHBondContact O-N 3.49Å; I147-A149 PolarHBondContact O-N 3.31Å; I147-L150 PolarHBondContact O-N 3.29Å; I147-I151 HydrophobicContact CG2-CD1 3.91Å; I147-I151 WeakPolarHBondContact O-CG1 3.48Å; I147-I151 PolarHBondContact O-N 3.03Å |
| 148 | V | 97.1 | Very high | 94.1 | Very high | 70 Ų | 70 | 58.3 Ų | 58.3 | 42% | 0.424 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 111 | S98 Y144 L146 L150 I151 L152 | S98-V148 WeakPolarHBondContact OG-CB 3.34Å; S98-V148 WeakPolarHBondContact OG-CG1 3.34Å; Y144-V148 WeakPolarHBondContact O-CG2 3.21Å; Y144-V148 PolarHBondContact O-N 3.31Å; Y144-V148 VanDerWaalsContact O-N 3.12Å; L146-V148 VanDerWaalsContact C-N 3.31Å; L146-V148 PolarHBondContact O-N 2.92Å; V148-L150 VanDerWaalsContact C-N 3.33Å; V148-L150 PolarHBondContact O-N 2.8Å; V148-I151 PolarHBondContact O-N 3.25Å; V148-L152 HydrophobicContact CG1-CD1 3.97Å; V148-L152 HydrophobicContact CG1-CG 4.38Å; V148-L152 WeakPolarHBondContact O-CG 3.37Å; V148-L152 PolarHBondContact O-N 2.99Å |
| 149 | A | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V72 A95 V99 G145 L146 I147 L152 S153 | V72-A149 HydrophobicContact CG1-CB 4.12Å; V72-A149 HydrophobicContact CG2-CB 3.87Å; A95-A149 HydrophobicContact CB-CB 4.14Å; A95-A149 WeakPolarHBondContact O-CB 3.48Å; V99-A149 HydrophobicContact CB-CB 4.07Å; V99-A149 HydrophobicContact CG1-CB 4.39Å; G145-A149 WeakPolarHBondContact O-CB 3.49Å; G145-A149 PolarHBondContact O-N 2.98Å; L146-A149 WeakPolarHBondContact O-CB 3.47Å; L146-A149 PolarHBondContact O-N 3.41Å; L146-A149 VanDerWaalsContact O-N 3.16Å; I147-A149 PolarHBondContact O-N 3.31Å; A149-L152 PolarHBondContact O-N 3.46Å; A149-S153 WeakPolarHBondContact O-CB 3.4Å; A149-S153 PolarHBondContact O-N 2.89Å |
| 150 | L | 95.2 | Very high | 93.8 | Very high | 68 Ų | 68 | 63.1 Ų | 63.1 | 36% | 0.356 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 176.4 | -68.6 | 175 | 0 | 0 | 0 | 112 | L75 L146 I147 V148 L152 S153 T154 | L75-L150 HydrophobicContact CD1-CD2 3.43Å; L75-L150 VanDerWaalsContact CD1-CD2 3.43Å; L146-L150 HydrophobicContact CD1-CD1 4.31Å; L146-L150 HydrophobicContact CD1-CG 4.22Å; L146-L150 HydrophobicContact CG-CD1 4.18Å; L146-L150 HydrophobicContact CG-CG 4.48Å; L146-L150 WeakPolarHBondContact O-CG 3.39Å; L146-L150 PolarHBondContact O-N 3.2Å; I147-L150 PolarHBondContact O-N 3.29Å; V148-L150 VanDerWaalsContact C-N 3.33Å; V148-L150 PolarHBondContact O-N 2.8Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 2.98Å; L150-S153 PolarHBondContact O-N 3.18Å; L150-T154 WeakPolarHBondContact O-CG2 3.38Å; L150-T154 PolarHBondContact O-N 3.5Å; L150-T154 PolarHBondContact O-OG1 3.06Å |
| 151 | I | 95.3 | Very high | 93.6 | Very high | 91 Ų | 91 | 65 Ų | 65 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 176.1 | -66.7 | 166.7 | 0 | 0 | 0 | 111.1 | I147 V148 S153 T154 | I147-I151 HydrophobicContact CG2-CD1 3.91Å; I147-I151 WeakPolarHBondContact O-CG1 3.48Å; I147-I151 PolarHBondContact O-N 3.03Å; V148-I151 PolarHBondContact O-N 3.25Å; I151-S153 VanDerWaalsContact C-N 3.32Å; I151-T154 PolarHBondContact O-OG1 3.46Å; I151-T154 VanDerWaalsContact O-OG1 3.06Å |
| 152 | L | 93.4 | Very high | 93.5 | Very high | 45 Ų | 45 | 64.1 Ų | 64.1 | 24% | 0.236 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.4 | -32.3 | 176.1 | -70.4 | 174.2 | 0 | 0 | 0 | 112.1 | L91 A95 V148 A149 L150 T154 | L91-L152 HydrophobicContact CD2-CD2 4.01Å; A95-L152 HydrophobicContact CB-CB 3.9Å; A95-L152 HydrophobicContact CB-CD1 4.41Å; V148-L152 HydrophobicContact CG1-CD1 3.97Å; V148-L152 HydrophobicContact CG1-CG 4.38Å; V148-L152 WeakPolarHBondContact O-CG 3.37Å; V148-L152 PolarHBondContact O-N 2.99Å; A149-L152 PolarHBondContact O-N 3.46Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 2.98Å; L152-T154 VanDerWaalsContact C-N 3.33Å |
| 153 | S | 88.7 | Confident | 93.4 | Very high | 28 Ų | 28 | 69 Ų | 69 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -74.8 | -19.5 | 178.8 | -171.7 | 0 | 0 | 0 | 0 | 113.9 | A149 L150 I151 | A149-S153 WeakPolarHBondContact O-CB 3.4Å; A149-S153 PolarHBondContact O-N 2.89Å; L150-S153 PolarHBondContact O-N 3.18Å; I151-S153 VanDerWaalsContact C-N 3.32Å |
| 154 | T | 87.3 | Confident | 93.1 | Very high | 119 Ų | 119 | 70.3 Ų | 70.3 | 73% | 0.73 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -6.5 | 179.1 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | L150 I151 L152 | L150-T154 WeakPolarHBondContact O-CG2 3.38Å; L150-T154 PolarHBondContact O-N 3.5Å; L150-T154 PolarHBondContact O-OG1 3.06Å; I151-T154 PolarHBondContact O-OG1 3.46Å; I151-T154 VanDerWaalsContact O-OG1 3.06Å; L152-T154 VanDerWaalsContact C-N 3.33Å |
| 155 | K | 77.3 | Confident | 92.8 | Very high | 160 Ų | 160 | 63.7 Ų | 63.7 | 70% | 0.696 | 34% | 0.341 | S | S | * | . | trans | -93.4 | 0 | 175.4 | -73.4 | -169.8 | 176.1 | -171.5 | 0 | 112.2 | L91 | L91-K155 HydrophobicContact CD1-CB 4.16Š|
Retrieved 155 of 155 residues in 47 ms
(Link to these results)