| 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 | 52.8 | Low | 84.3 | Confident | 232 Ų | 232 | 84.5 Ų | 84.5 | 100% | 1.143 | 49% | 0.489 | S | S | * | . | 0 | 101.8 | 0 | -171.7 | 122.6 | 110.4 | 0 | 0 | 106.5 | |||||
| 2 | A | 58.3 | Low | 85.3 | Confident | 40 Ų | 40 | 87.1 Ų | 87.1 | 33% | 0.331 | 50% | 0.497 | S | S | . | . | trans | -57.7 | 131.9 | -179 | 0 | 0 | 0 | 0 | 0 | 108.9 | S4 H62 | A2-S4 PolarHBondContact O-N 3.35Å; A2-H62 WeakPolarHBondContact CB-O 3.48Å | ||
| 3 | P | 74.4 | Confident | 86.2 | Confident | 70 Ų | 70 | 80.6 Ų | 80.6 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | trans | -56.3 | 140.2 | -179.7 | 20.6 | -30.9 | 0 | 0 | 0 | 109.7 | L5 W6 | P3-L5 HydrophobicContact CB-CB 4.48Å; P3-L5 PolarHBondContact O-N 3.13Å; P3-W6 VanDerWaalsContact CD-CD1 3.44Å; P3-W6 VanDerWaalsContact CG-CD1 3.47Å; P3-W6 VanDerWaalsContact CG-NE1 3.32Å; P3-W6 PolarHBondContact O-N 2.99Å | ||
| 4 | S | 83.1 | Confident | 87 | Confident | 98 Ų | 98 | 81.6 Ų | 81.6 | 69% | 0.685 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -20.1 | -179.4 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | A2 W6 K7 G8 | A2-S4 PolarHBondContact O-N 3.35Å; S4-W6 VanDerWaalsContact C-N 3.3Å; S4-W6 PolarHBondContact O-N 3.44Å; S4-K7 WeakPolarHBondContact O-CB 3.4Å; S4-K7 PolarHBondContact O-N 3.37Å; S4-G8 PolarHBondContact O-N 2.85Å |
| 5 | L | 90.4 | Very high | 87.8 | Confident | 131 Ų | 131 | 86.3 Ų | 86.3 | 69% | 0.686 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -54 | -39.1 | 173.6 | -60.5 | 175.3 | 0 | 0 | 0 | 113.4 | P3 K7 G8 L9 | P3-L5 HydrophobicContact CB-CB 4.48Å; P3-L5 PolarHBondContact O-N 3.13Å; L5-K7 VanDerWaalsContact C-N 3.3Å; L5-K7 PolarHBondContact O-N 3.31Å; L5-G8 WeakPolarHBondContact O-CA 3.46Å; L5-G8 PolarHBondContact O-N 3.04Å; L5-G8 VanDerWaalsContact O-N 3.13Å; L5-L9 PolarHBondContact O-N 2.93Å |
| 6 | W | 92.8 | Very high | 88.4 | Confident | 60 Ų | 60 | 82.5 Ų | 82.5 | 23% | 0.227 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.4 | -36.7 | -179.9 | -63.9 | 118.1 | 0 | 0 | 0 | 112.3 | P3 S4 G8 L9 V10 Y58 H62 I63 | P3-W6 VanDerWaalsContact CD-CD1 3.44Å; P3-W6 VanDerWaalsContact CG-CD1 3.47Å; P3-W6 VanDerWaalsContact CG-NE1 3.32Å; P3-W6 PolarHBondContact O-N 2.99Å; S4-W6 VanDerWaalsContact C-N 3.3Å; S4-W6 PolarHBondContact O-N 3.44Å; W6-G8 VanDerWaalsContact C-N 3.33Å; W6-L9 HydrophobicContact CE3-CD2 3.72Å; W6-L9 HydrophobicContact CZ3-CD2 3.71Å; W6-L9 WeakPolarHBondContact O-CB 3.3Å; W6-L9 PolarHBondContact O-N 2.84Å; W6-V10 WeakPolarHBondContact O-CG2 2.95Å; W6-V10 PolarHBondContact O-N 3.48Å; W6-Y58 AromaticContact CH2-CE1 3.69Å; W6-Y58 HydrophobicContact CH2-CE1 3.69Å; W6-Y58 AromaticContact CZ3-CD1 3.93Å; W6-Y58 HydrophobicContact CZ3-CD1 3.93Å; W6-Y58 AromaticContact CZ3-CE1 3.51Å; W6-Y58 HydrophobicContact CZ3-CE1 3.51Å; W6-H62 HydrophobicContact CD2-CB 3.79Å; W6-H62 HydrophobicContact CE3-CB 4.2Å; W6-H62 HydrophobicContact CG-CB 3.96Å; W6-H62 AromaticContact CZ2-CD2 3.83Å; W6-I63 HydrophobicContact CB-CD1 4.3Å; W6-I63 HydrophobicContact CB-CG1 3.78Å |
| 7 | K | 92.9 | Very high | 88.9 | Confident | 145 Ų | 145 | 81 Ų | 81 | 63% | 0.63 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.9 | -40.1 | 175 | -61.1 | -177.3 | 176.7 | -172.9 | 0 | 111.1 | S4 L5 G11 I63 | S4-K7 WeakPolarHBondContact O-CB 3.4Å; S4-K7 PolarHBondContact O-N 3.37Å; L5-K7 VanDerWaalsContact C-N 3.3Å; L5-K7 PolarHBondContact O-N 3.31Å; K7-G11 PolarHBondContact O-N 3.34Å; K7-I63 HydrophobicContact CB-CD1 4.45Å; K7-I63 HydrophobicContact CG-CD1 3.98Å; K7-I63 HydrophobicContact CG-CG1 4.28Å |
| 8 | G | 94.3 | Very high | 89.4 | Confident | 40 Ų | 40 | 79.9 Ų | 79.9 | 41% | 0.412 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S4 L5 W6 V10 G11 I12 | S4-G8 PolarHBondContact O-N 2.85Å; L5-G8 WeakPolarHBondContact O-CA 3.46Å; L5-G8 PolarHBondContact O-N 3.04Å; L5-G8 VanDerWaalsContact O-N 3.13Å; W6-G8 VanDerWaalsContact C-N 3.33Å; G8-V10 PolarHBondContact O-N 3.26Å; G8-G11 PolarHBondContact O-N 2.7Å; G8-G11 VanDerWaalsContact O-N 3.14Å; G8-I12 WeakPolarHBondContact O-CG1 3.46Å; G8-I12 PolarHBondContact O-N 3.41Å |
| 9 | L | 95.3 | Very high | 89.8 | Confident | 56 Ų | 56 | 80.4 Ų | 80.4 | 29% | 0.293 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 177.9 | -173 | 66.8 | 0 | 0 | 0 | 112.1 | L5 W6 G11 I12 G13 V55 | L5-L9 PolarHBondContact O-N 2.93Å; W6-L9 HydrophobicContact CE3-CD2 3.72Å; W6-L9 HydrophobicContact CZ3-CD2 3.71Å; W6-L9 WeakPolarHBondContact O-CB 3.3Å; W6-L9 PolarHBondContact O-N 2.84Å; L9-G11 VanDerWaalsContact C-N 3.34Å; L9-I12 PolarHBondContact O-N 2.92Å; L9-G13 PolarHBondContact O-N 3.23Å; L9-V55 HydrophobicContact CD1-CG1 3.73Å; L9-V55 HydrophobicContact CD2-CG1 4.29Å; L9-V55 HydrophobicContact CG-CG1 3.82Å |
| 10 | V | 96.2 | Very high | 90.2 | Very high | 18 Ų | 18 | 76.4 Ų | 76.4 | 11% | 0.109 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 174.6 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | W6 G8 I12 G13 L14 T56 G59 I60 I63 | W6-V10 WeakPolarHBondContact O-CG2 2.95Å; W6-V10 PolarHBondContact O-N 3.48Å; G8-V10 PolarHBondContact O-N 3.26Å; V10-I12 PolarHBondContact O-N 3.39Å; V10-G13 PolarHBondContact O-N 3.46Å; V10-L14 HydrophobicContact CG1-CD1 4.09Å; V10-L14 HydrophobicContact CG1-CG 4.37Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 2.95Å; V10-T56 HydrophobicContact CG1-CG2 4.29Å; V10-G59 VanDerWaalsContact CG2-C 3.45Å; V10-I60 HydrophobicContact CG1-CG1 4.12Å; V10-I60 HydrophobicContact CG2-CG1 3.95Å; V10-I63 HydrophobicContact CB-CD1 4.17Å; V10-I63 HydrophobicContact CG2-CD1 3.56Å |
| 11 | G | 96.6 | Very high | 90.5 | Very high | 39 Ų | 39 | 75.4 Ų | 75.4 | 40% | 0.402 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K7 G8 L9 L14 F15 | K7-G11 PolarHBondContact O-N 3.34Å; G8-G11 PolarHBondContact O-N 2.7Å; G8-G11 VanDerWaalsContact O-N 3.14Å; L9-G11 VanDerWaalsContact C-N 3.34Å; G11-L14 PolarHBondContact O-N 3.41Å; G11-F15 WeakPolarHBondContact O-CB 3.29Å; G11-F15 PolarHBondContact O-N 3.32Å |
| 12 | I | 96.5 | Very high | 92.6 | Very high | 116 Ų | 116 | 70.3 Ų | 70.3 | 60% | 0.595 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.5 | -42.7 | 176.4 | -65.7 | 167.8 | 0 | 0 | 0 | 110.8 | G8 L9 V10 F15 A16 | G8-I12 WeakPolarHBondContact O-CG1 3.46Å; G8-I12 PolarHBondContact O-N 3.41Å; L9-I12 PolarHBondContact O-N 2.92Å; V10-I12 PolarHBondContact O-N 3.39Å; I12-F15 PolarHBondContact O-N 2.95Å; I12-A16 WeakPolarHBondContact O-CB 3.26Å; I12-A16 PolarHBondContact O-N 3.05Å |
| 13 | G | 96.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 69.7 Ų | 69.7 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L9 V10 A16 L17 T56 | L9-G13 PolarHBondContact O-N 3.23Å; V10-G13 PolarHBondContact O-N 3.46Å; G13-A16 PolarHBondContact O-N 3.18Å; G13-L17 WeakPolarHBondContact O-CB 3.36Å; G13-L17 PolarHBondContact O-N 3.25Å; G13-T56 VanDerWaalsContact C-OG1 3.29Å; G13-T56 WeakPolarHBondContact CA-OG1 3.41Å |
| 14 | L | 97.7 | Very high | 95.4 | Very high | 95 Ų | 95 | 67.6 Ų | 67.6 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 176.1 | -70.6 | 174.8 | 0 | 0 | 0 | 112.5 | V10 G11 L17 A18 T56 | V10-L14 HydrophobicContact CG1-CD1 4.09Å; V10-L14 HydrophobicContact CG1-CG 4.37Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 2.95Å; G11-L14 PolarHBondContact O-N 3.41Å; L14-L17 PolarHBondContact O-N 3.41Å; L14-A18 WeakPolarHBondContact O-CB 3.11Å; L14-A18 PolarHBondContact O-N 3.2Å; L14-T56 HydrophobicContact CD2-CG2 3.98Å; L14-T56 HydrophobicContact CG-CG2 4.2Å |
| 15 | F | 98.1 | Very high | 96 | Very high | 151 Ų | 151 | 65.8 Ų | 65.8 | 66% | 0.662 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63 | -45.8 | 174.9 | 177.1 | -98.3 | 0 | 0 | 0 | 111.7 | G11 I12 L17 A18 H19 | G11-F15 WeakPolarHBondContact O-CB 3.29Å; G11-F15 PolarHBondContact O-N 3.32Å; I12-F15 PolarHBondContact O-N 2.95Å; F15-L17 VanDerWaalsContact C-N 3.29Å; F15-L17 PolarHBondContact O-N 3.44Å; F15-A18 PolarHBondContact O-N 3.3Å; F15-H19 WeakPolarHBondContact O-CB 3.43Å; F15-H19 PolarHBondContact O-N 3.24Å |
| 16 | A | 97.3 | Very high | 96.2 | Very high | 26 Ų | 26 | 64.6 Ų | 64.6 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I12 G13 H19 A20 A52 | I12-A16 WeakPolarHBondContact O-CB 3.26Å; I12-A16 PolarHBondContact O-N 3.05Å; G13-A16 PolarHBondContact O-N 3.18Å; A16-H19 PolarHBondContact O-N 3.32Å; A16-A20 WeakPolarHBondContact O-CB 3.37Å; A16-A20 PolarHBondContact O-N 2.84Å; A16-A52 HydrophobicContact CB-CB 3.88Å |
| 17 | L | 97.4 | Very high | 96.2 | Very high | 57 Ų | 57 | 63.4 Ų | 63.4 | 30% | 0.298 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 176.1 | -156.2 | 73 | 0 | 0 | 0 | 111.7 | G13 L14 F15 A20 A21 T49 A52 F53 | G13-L17 WeakPolarHBondContact O-CB 3.36Å; G13-L17 PolarHBondContact O-N 3.25Å; L14-L17 PolarHBondContact O-N 3.41Å; F15-L17 VanDerWaalsContact C-N 3.29Å; F15-L17 PolarHBondContact O-N 3.44Å; L17-A20 PolarHBondContact O-N 3.06Å; L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 3.22Å; L17-T49 HydrophobicContact CD1-CG2 4.44Å; L17-A52 HydrophobicContact CB-CB 4.28Å; L17-A52 HydrophobicContact CD1-CB 3.9Å; L17-F53 HydrophobicContact CD1-CB 4.36Å |
| 18 | A | 98.1 | Very high | 96.1 | Very high | 61 Ų | 61 | 63.9 Ų | 63.9 | 50% | 0.504 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L14 F15 A21 F22 | L14-A18 WeakPolarHBondContact O-CB 3.11Å; L14-A18 PolarHBondContact O-N 3.2Å; F15-A18 PolarHBondContact O-N 3.3Å; A18-A21 PolarHBondContact O-N 2.89Å; A18-F22 PolarHBondContact O-N 3.42Å |
| 19 | H | 97.6 | Very high | 96 | Very high | 90 Ų | 90 | 65.7 Ų | 65.7 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.3 | -49.1 | 173.9 | -177.9 | -78.4 | 0 | 0 | 0 | 111.3 | F15 A16 A21 F22 S23 Q48 | F15-H19 WeakPolarHBondContact O-CB 3.43Å; F15-H19 PolarHBondContact O-N 3.24Å; A16-H19 PolarHBondContact O-N 3.32Å; H19-A21 VanDerWaalsContact C-N 3.32Å; H19-A21 PolarHBondContact O-N 3.11Å; H19-F22 WeakPolarHBondContact O-CB 3.41Å; H19-F22 PolarHBondContact O-N 3.22Å; H19-S23 PolarHBondContact O-N 2.9Å; H19-S23 PolarHBondContact O-OG 2.97Å; H19-Q48 PolarHBondContact ND1-NE2 2.87Å |
| 20 | A | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.5 | -35.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A16 L17 S23 A24 Q48 T49 | A16-A20 WeakPolarHBondContact O-CB 3.37Å; A16-A20 PolarHBondContact O-N 2.84Å; L17-A20 PolarHBondContact O-N 3.06Å; A20-S23 PolarHBondContact O-N 3.46Å; A20-A24 WeakPolarHBondContact O-CB 3.48Å; A20-A24 PolarHBondContact O-N 3.4Å; A20-Q48 HydrophobicContact CB-CB 4.45Å; A20-Q48 HydrophobicContact CB-CG 4.05Å; A20-T49 HydrophobicContact CB-CG2 3.45Å; A20-T49 VanDerWaalsContact CB-CG2 3.45Å |
| 21 | A | 96.9 | Very high | 95.6 | Very high | 55 Ų | 55 | 70.1 Ų | 70.1 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L17 A18 H19 A24 A25 | L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 3.22Å; A18-A21 PolarHBondContact O-N 2.89Å; H19-A21 VanDerWaalsContact C-N 3.32Å; H19-A21 PolarHBondContact O-N 3.11Å; A21-A24 PolarHBondContact O-N 2.88Å; A21-A25 WeakPolarHBondContact O-CB 3.41Å; A21-A25 PolarHBondContact O-N 2.94Å |
| 22 | F | 97.3 | Very high | 95.2 | Very high | 126 Ų | 126 | 75.6 Ų | 75.6 | 55% | 0.553 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.6 | -45.1 | 174.2 | -177 | -102.6 | 0 | 0 | 0 | 111.6 | A18 H19 A24 A25 Q26 | A18-F22 PolarHBondContact O-N 3.42Å; H19-F22 WeakPolarHBondContact O-CB 3.41Å; H19-F22 PolarHBondContact O-N 3.22Å; F22-A24 VanDerWaalsContact C-N 3.35Å; F22-A24 PolarHBondContact O-N 3.46Å; F22-A25 PolarHBondContact O-N 3.33Å; F22-Q26 HydrophobicContact CD1-CG 4.31Å; F22-Q26 HydrophobicContact CE1-CG 3.98Å; F22-Q26 HydrophobicContact CZ-CG 4.1Å; F22-Q26 VanDerWaalsContact CZ-NE2 3.25Å; F22-Q26 WeakPolarHBondContact O-CG 3.47Å; F22-Q26 PolarHBondContact O-N 2.95Å |
| 23 | S | 96 | Very high | 94.9 | Very high | 26 Ų | 26 | 77 Ų | 77 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 174.4 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | H19 A20 Q26 H27 | H19-S23 PolarHBondContact O-N 2.9Å; H19-S23 PolarHBondContact O-OG 2.97Å; A20-S23 PolarHBondContact O-N 3.46Å; S23-Q26 PolarHBondContact O-N 3.38Å; S23-H27 WeakPolarHBondContact O-CB 3.28Å; S23-H27 PolarHBondContact O-N 3.44Å |
| 24 | A | 94.9 | Very high | 94.6 | Very high | 27 Ų | 27 | 79 Ų | 79 | 22% | 0.223 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A20 A21 F22 H27 R28 L41 I45 | A20-A24 WeakPolarHBondContact O-CB 3.48Å; A20-A24 PolarHBondContact O-N 3.4Å; A21-A24 PolarHBondContact O-N 2.88Å; F22-A24 VanDerWaalsContact C-N 3.35Å; F22-A24 PolarHBondContact O-N 3.46Å; A24-H27 PolarHBondContact O-N 2.92Å; A24-R28 WeakPolarHBondContact O-CB 3.18Å; A24-R28 PolarHBondContact O-N 2.93Å; A24-L41 HydrophobicContact CB-CD2 4.26Å; A24-I45 HydrophobicContact CB-CG2 4.09Å |
| 25 | A | 95.2 | Very high | 93.9 | Very high | 59 Ų | 59 | 83 Ų | 83 | 49% | 0.488 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A21 F22 R28 S29 | A21-A25 WeakPolarHBondContact O-CB 3.41Å; A21-A25 PolarHBondContact O-N 2.94Å; F22-A25 PolarHBondContact O-N 3.33Å; A25-R28 PolarHBondContact O-N 3.36Å; A25-S29 WeakPolarHBondContact O-CB 3.42Å; A25-S29 PolarHBondContact O-N 3.41Å |
| 26 | Q | 95.1 | Very high | 93.1 | Very high | 107 Ų | 107 | 81.5 Ų | 81.5 | 50% | 0.5 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 174.1 | -73.9 | -173.9 | -36 | 0 | 0 | 111.8 | F22 S23 R28 S29 Y30 | F22-Q26 HydrophobicContact CD1-CG 4.31Å; F22-Q26 HydrophobicContact CE1-CG 3.98Å; F22-Q26 HydrophobicContact CZ-CG 4.1Å; F22-Q26 VanDerWaalsContact CZ-NE2 3.25Å; F22-Q26 WeakPolarHBondContact O-CG 3.47Å; F22-Q26 PolarHBondContact O-N 2.95Å; S23-Q26 PolarHBondContact O-N 3.38Å; Q26-R28 VanDerWaalsContact C-N 3.32Å; Q26-R28 PolarHBondContact O-N 3.17Å; Q26-S29 WeakPolarHBondContact O-CB 3.42Å; Q26-S29 PolarHBondContact O-N 3.4Å; Q26-S29 VanDerWaalsContact O-N 3.15Å; Q26-Y30 WeakPolarHBondContact O-CB 3.41Å; Q26-Y30 PolarHBondContact O-N 2.94Å |
| 27 | H | 92.7 | Very high | 91.9 | Very high | 35 Ų | 35 | 86.9 Ų | 86.9 | 16% | 0.162 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -56.9 | -46.5 | 175.8 | -176.1 | -94.8 | 0 | 0 | 0 | 111.4 | S23 A24 S29 Y30 M31 P42 I45 | S23-H27 WeakPolarHBondContact O-CB 3.28Å; S23-H27 PolarHBondContact O-N 3.44Å; A24-H27 PolarHBondContact O-N 2.92Å; H27-S29 VanDerWaalsContact C-N 3.33Å; H27-S29 PolarHBondContact O-N 3.45Å; H27-Y30 WeakPolarHBondContact O-CB 3.45Å; H27-Y30 PolarHBondContact O-N 2.98Å; H27-M31 PolarHBondContact CE1-SD 3.36Å; H27-M31 PolarHBondContact ND1-SD 3.41Å; H27-M31 WeakPolarHBondContact O-CG 3.31Å; H27-M31 PolarHBondContact O-N 3.39Å; H27-P42 WeakPolarHBondContact NE2-CD 3.44Å; H27-I45 HydrophobicContact CB-CD1 4.41Å |
| 28 | R | 91.3 | Very high | 90.4 | Very high | 155 Ų | 155 | 92.1 Ų | 92.1 | 59% | 0.585 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.6 | -37.2 | 177.3 | -170.5 | 174.1 | -172.7 | 124.7 | 6.2 | 112.8 | A24 A25 Q26 R32 | A24-R28 WeakPolarHBondContact O-CB 3.18Å; A24-R28 PolarHBondContact O-N 2.93Å; A25-R28 PolarHBondContact O-N 3.36Å; Q26-R28 VanDerWaalsContact C-N 3.32Å; Q26-R28 PolarHBondContact O-N 3.17Å; R28-R32 VanDerWaalsContact O-CG 3.31Å; R28-R32 WeakPolarHBondContact O-CG 3.41Å; R28-R32 PolarHBondContact O-N 2.91Å |
| 29 | S | 92.4 | Very high | 89.5 | Confident | 78 Ų | 78 | 94.8 Ų | 94.8 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 174.6 | -164.7 | 0 | 0 | 0 | 0 | 111.4 | A25 Q26 H27 R32 L33 | A25-S29 WeakPolarHBondContact O-CB 3.42Å; A25-S29 PolarHBondContact O-N 3.41Å; Q26-S29 WeakPolarHBondContact O-CB 3.42Å; Q26-S29 PolarHBondContact O-N 3.4Å; Q26-S29 VanDerWaalsContact O-N 3.15Å; H27-S29 VanDerWaalsContact C-N 3.33Å; H27-S29 PolarHBondContact O-N 3.45Å; S29-R32 PolarHBondContact O-N 3.22Å; S29-L33 PolarHBondContact O-N 2.95Å; S29-L33 VanDerWaalsContact O-N 3.11Å |
| 30 | Y | 91.2 | Very high | 88.9 | Confident | 145 Ų | 145 | 95.3 Ų | 95.3 | 57% | 0.569 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.9 | -44.7 | 177.8 | 177.9 | -99 | 0 | 0 | 0 | 112.7 | Q26 H27 R32 L33 T34 | Q26-Y30 WeakPolarHBondContact O-CB 3.41Å; Q26-Y30 PolarHBondContact O-N 2.94Å; H27-Y30 WeakPolarHBondContact O-CB 3.45Å; H27-Y30 PolarHBondContact O-N 2.98Å; Y30-R32 VanDerWaalsContact C-N 3.34Å; Y30-R32 PolarHBondContact O-N 3.15Å; Y30-L33 PolarHBondContact O-N 3.44Å; Y30-T34 HydrophobicContact CD2-CG2 4.29Å; Y30-T34 HydrophobicContact CE1-CG2 4.14Å; Y30-T34 HydrophobicContact CE2-CG2 3.86Å; Y30-T34 WeakPolarHBondContact O-CG2 3.48Å; Y30-T34 PolarHBondContact O-N 2.9Å; Y30-T34 PolarHBondContact O-OG1 3.41Å |
| 31 | M | 90.4 | Very high | 88.5 | Confident | 21 Ų | 21 | 99 Ų | 99 | 10% | 0.103 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -60 | -43.4 | 176.2 | -71.6 | 177.1 | 73.3 | 0 | 0 | 112.4 | H27 L33 T34 E35 K36 E37 E39 | H27-M31 PolarHBondContact CE1-SD 3.36Å; H27-M31 PolarHBondContact ND1-SD 3.41Å; H27-M31 WeakPolarHBondContact O-CG 3.31Å; H27-M31 PolarHBondContact O-N 3.39Å; M31-L33 VanDerWaalsContact C-N 3.31Å; M31-L33 PolarHBondContact O-N 3.39Å; M31-T34 PolarHBondContact O-N 3.39Å; M31-T34 PolarHBondContact O-OG1 3.44Å; M31-E35 PolarHBondContact O-N 2.93Å; M31-K36 WeakPolarHBondContact CE-O 3.44Å; M31-K36 PolarHBondContact O-N 3.06Å; M31-E37 VanDerWaalsContact CE-O 3.29Å; M31-E37 WeakPolarHBondContact CE-O 3.47Å; M31-E39 HydrophobicContact CE-CB 3.95Å; M31-E39 WeakPolarHBondContact CE-O 3.44Å |
| 32 | R | 89.6 | Confident | 88.3 | Confident | 155 Ų | 155 | 98.7 Ų | 98.7 | 59% | 0.585 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.7 | -38.3 | 176.6 | -74.8 | 171.4 | 172.1 | 171.2 | -3.7 | 112.4 | R28 S29 Y30 | R28-R32 VanDerWaalsContact O-CG 3.31Å; R28-R32 WeakPolarHBondContact O-CG 3.41Å; R28-R32 PolarHBondContact O-N 2.91Å; S29-R32 PolarHBondContact O-N 3.22Å; Y30-R32 VanDerWaalsContact C-N 3.34Å; Y30-R32 PolarHBondContact O-N 3.15Å |
| 33 | L | 90.8 | Very high | 88.1 | Confident | 146 Ų | 146 | 99.6 Ų | 99.6 | 76% | 0.764 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -73.8 | -28.9 | -179.6 | -171.3 | 65.7 | 0 | 0 | 0 | 112.7 | S29 Y30 M31 | S29-L33 PolarHBondContact O-N 2.95Å; S29-L33 VanDerWaalsContact O-N 3.11Å; Y30-L33 PolarHBondContact O-N 3.44Å; M31-L33 VanDerWaalsContact C-N 3.31Å; M31-L33 PolarHBondContact O-N 3.39Å |
| 34 | T | 89 | Confident | 88.1 | Confident | 45 Ų | 45 | 103.9 Ų | 103.9 | 28% | 0.276 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 3.6 | -175.6 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | Y30 M31 K36 | Y30-T34 HydrophobicContact CD2-CG2 4.29Å; Y30-T34 HydrophobicContact CE1-CG2 4.14Å; Y30-T34 HydrophobicContact CE2-CG2 3.86Å; Y30-T34 WeakPolarHBondContact O-CG2 3.48Å; Y30-T34 PolarHBondContact O-N 2.9Å; Y30-T34 PolarHBondContact O-OG1 3.41Å; M31-T34 PolarHBondContact O-N 3.39Å; M31-T34 PolarHBondContact O-OG1 3.44Å; T34-K36 PolarHBondContact O-N 2.93Å |
| 35 | E | 84.6 | Confident | 88.1 | Confident | 177 Ų | 177 | 103.5 Ų | 103.5 | 83% | 0.827 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 20.3 | -176.2 | -62.1 | -180 | 167 | 0 | 0 | 113.7 | M31 E37 | M31-E35 PolarHBondContact O-N 2.93Å; E35-E37 PolarHBondContact O-N 3.27Å |
| 36 | K | 79.8 | Confident | 88.1 | Confident | 120 Ų | 120 | 103.5 Ų | 103.5 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | trans | -96.8 | 68.9 | 174.6 | -68.4 | -164.9 | 175.9 | 67.5 | 0 | 109.8 | M31 T34 D38 | M31-K36 WeakPolarHBondContact CE-O 3.44Å; M31-K36 PolarHBondContact O-N 3.06Å; T34-K36 PolarHBondContact O-N 2.93Å; K36-D38 VanDerWaalsContact C-N 3.26Å; K36-D38 PolarHBondContact O-N 3.43Å | ||
| 37 | E | 71.9 | Confident | 88.2 | Confident | 140 Ų | 140 | 103 Ų | 103 | 65% | 0.654 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -14.2 | -175.2 | -61 | -157.1 | 149.4 | 0 | 0 | 114.1 | M31 E35 | M31-E37 VanDerWaalsContact CE-O 3.29Å; M31-E37 WeakPolarHBondContact CE-O 3.47Å; E35-E37 PolarHBondContact O-N 3.27Å |
| 38 | D | 66.1 | Low | 88.4 | Confident | 166 Ų | 166 | 104 Ų | 104 | 89% | 0.888 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -2 | -172.3 | -61.6 | -39.7 | 0 | 0 | 0 | 114.9 | K36 | K36-D38 VanDerWaalsContact C-N 3.26Å; K36-D38 PolarHBondContact O-N 3.43Å |
| 39 | E | 79.8 | Confident | 88.7 | Confident | 117 Ų | 117 | 98.8 Ų | 98.8 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 128.2 | -178.3 | -120.9 | 177.3 | 175.9 | 0 | 0 | 112.2 | M31 | M31-E39 HydrophobicContact CE-CB 3.95Å; M31-E39 WeakPolarHBondContact CE-O 3.44Å |
| 40 | S | 85.6 | Confident | 89 | Confident | 102 Ų | 102 | 100 Ų | 100 | 71% | 0.713 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 157.4 | 176.4 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 41 | L | 88.1 | Confident | 89.3 | Confident | 76 Ų | 76 | 98 Ų | 98 | 40% | 0.398 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 139.7 | 174.7 | -123.8 | 75.3 | 0 | 0 | 0 | 111.4 | A24 I43 I45 V46 | A24-L41 HydrophobicContact CB-CD2 4.26Å; L41-I43 PolarHBondContact O-N 3.44Å; L41-I45 HydrophobicContact CD2-CG2 4.06Å; L41-V46 HydrophobicContact CB-CG2 4.23Å |
| 42 | P | 92.4 | Very high | 89.6 | Confident | 49 Ų | 49 | 97.4 Ų | 97.4 | 32% | 0.318 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 133.1 | 175.1 | -24.8 | 32.9 | 0 | 0 | 0 | 111 | H27 D44 I45 V46 | H27-P42 WeakPolarHBondContact NE2-CD 3.44Å; P42-D44 PolarHBondContact O-N 3.17Å; P42-D44 VanDerWaalsContact O-N 3.13Å; P42-I45 HydrophobicContact CB-CD1 4.42Å; P42-I45 HydrophobicContact CB-CG1 4.36Å; P42-I45 HydrophobicContact CG-CD1 4.13Å; P42-I45 PolarHBondContact O-N 3.4Å; P42-V46 PolarHBondContact O-N 3.29Å |
| 43 | I | 93.9 | Very high | 90 | Very high | 146 Ų | 146 | 95.9 Ų | 95.9 | 75% | 0.749 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.2 | -31.3 | -178 | -67.4 | 156.6 | 0 | 0 | 0 | 111.6 | L41 V46 L47 | L41-I43 PolarHBondContact O-N 3.44Å; I43-V46 PolarHBondContact O-N 3.48Å; I43-L47 WeakPolarHBondContact O-CB 3.49Å; I43-L47 PolarHBondContact O-N 2.91Å |
| 44 | D | 94.8 | Very high | 90.3 | Very high | 116 Ų | 116 | 91.6 Ų | 91.6 | 62% | 0.62 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.6 | -46.9 | 175.9 | -174.8 | 30.8 | 0 | 0 | 0 | 112.4 | P42 V46 L47 Q48 | P42-D44 PolarHBondContact O-N 3.17Å; P42-D44 VanDerWaalsContact O-N 3.13Å; D44-V46 VanDerWaalsContact C-N 3.31Å; D44-V46 PolarHBondContact O-N 3.45Å; D44-L47 PolarHBondContact O-N 3.04Å; D44-Q48 WeakPolarHBondContact O-CB 3.24Å; D44-Q48 PolarHBondContact O-N 3.13Å |
| 45 | I | 95.3 | Very high | 90.7 | Very high | 18 Ų | 18 | 92.2 Ų | 92.2 | 9% | 0.092 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 178.1 | -59.8 | 179.2 | 0 | 0 | 0 | 110.6 | A24 H27 L41 P42 T49 | A24-I45 HydrophobicContact CB-CG2 4.09Å; H27-I45 HydrophobicContact CB-CD1 4.41Å; L41-I45 HydrophobicContact CD2-CG2 4.06Å; P42-I45 HydrophobicContact CB-CD1 4.42Å; P42-I45 HydrophobicContact CB-CG1 4.36Å; P42-I45 HydrophobicContact CG-CD1 4.13Å; P42-I45 PolarHBondContact O-N 3.4Å; I45-T49 WeakPolarHBondContact O-CB 3.5Å; I45-T49 PolarHBondContact O-N 2.84Å; I45-T49 PolarHBondContact O-OG1 2.93Å |
| 46 | V | 96.4 | Very high | 91.3 | Very high | 60 Ų | 60 | 84.2 Ų | 84.2 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65 | -45.6 | 177.2 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | L41 P42 I43 D44 T49 L50 | L41-V46 HydrophobicContact CB-CG2 4.23Å; P42-V46 PolarHBondContact O-N 3.29Å; I43-V46 PolarHBondContact O-N 3.48Å; D44-V46 VanDerWaalsContact C-N 3.31Å; D44-V46 PolarHBondContact O-N 3.45Å; V46-T49 WeakPolarHBondContact CA-OG1 3.31Å; V46-T49 PolarHBondContact O-N 2.66Å; V46-T49 PolarHBondContact O-OG1 2.93Å; V46-L50 HydrophobicContact CG1-CD1 4.05Å; V46-L50 HydrophobicContact CG1-CG 4.5Å; V46-L50 WeakPolarHBondContact O-CB 3.32Å; V46-L50 VanDerWaalsContact O-CG 3.3Å; V46-L50 WeakPolarHBondContact O-CG 3.39Å; V46-L50 PolarHBondContact O-N 2.99Å |
| 47 | L | 96.6 | Very high | 92.1 | Very high | 97 Ų | 97 | 81 Ų | 81 | 51% | 0.508 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 179.1 | -168.7 | 66.1 | 0 | 0 | 0 | 111.2 | I43 D44 T49 L50 L51 | I43-L47 WeakPolarHBondContact O-CB 3.49Å; I43-L47 PolarHBondContact O-N 2.91Å; D44-L47 PolarHBondContact O-N 3.04Å; L47-T49 PolarHBondContact O-N 3.36Å; L47-L50 PolarHBondContact O-N 2.98Å; L47-L51 HydrophobicContact CD1-CD1 4.43Å; L47-L51 HydrophobicContact CD1-CG 4.46Å; L47-L51 HydrophobicContact CG-CD1 4Å; L47-L51 HydrophobicContact CG-CG 4.4Å; L47-L51 WeakPolarHBondContact O-CB 3.27Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 3.38Å |
| 48 | Q | 96.9 | Very high | 93.2 | Very high | 55 Ų | 55 | 80.4 Ų | 80.4 | 26% | 0.257 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 176.3 | -176.1 | 175.4 | -9 | 0 | 0 | 111.7 | H19 A20 D44 A52 | H19-Q48 PolarHBondContact ND1-NE2 2.87Å; A20-Q48 HydrophobicContact CB-CB 4.45Å; A20-Q48 HydrophobicContact CB-CG 4.05Å; D44-Q48 WeakPolarHBondContact O-CB 3.24Å; D44-Q48 PolarHBondContact O-N 3.13Å; Q48-A52 WeakPolarHBondContact O-CB 3.41Å; Q48-A52 PolarHBondContact O-N 2.92Å |
| 49 | T | 97.7 | Very high | 94.6 | Very high | 45 Ų | 45 | 72.5 Ų | 72.5 | 28% | 0.276 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 177 | 35 | 0 | 0 | 0 | 0 | 112.1 | L17 A20 I45 V46 L47 A52 F53 | L17-T49 HydrophobicContact CD1-CG2 4.44Å; A20-T49 HydrophobicContact CB-CG2 3.45Å; A20-T49 VanDerWaalsContact CB-CG2 3.45Å; I45-T49 WeakPolarHBondContact O-CB 3.5Å; I45-T49 PolarHBondContact O-N 2.84Å; I45-T49 PolarHBondContact O-OG1 2.93Å; V46-T49 WeakPolarHBondContact CA-OG1 3.31Å; V46-T49 PolarHBondContact O-N 2.66Å; V46-T49 PolarHBondContact O-OG1 2.93Å; L47-T49 PolarHBondContact O-N 3.36Å; T49-A52 PolarHBondContact O-N 3.46Å; T49-F53 VanDerWaalsContact O-CB 3.24Å; T49-F53 WeakPolarHBondContact O-CB 3.49Å; T49-F53 PolarHBondContact O-N 3.29Å |
| 50 | L | 98 | Very high | 95.3 | Very high | 104 Ų | 104 | 71.1 Ų | 71.1 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 179.6 | -71.9 | 176.2 | 0 | 0 | 0 | 112.4 | V46 L47 F53 A54 | V46-L50 HydrophobicContact CG1-CD1 4.05Å; V46-L50 HydrophobicContact CG1-CG 4.5Å; V46-L50 WeakPolarHBondContact O-CB 3.32Å; V46-L50 VanDerWaalsContact O-CG 3.3Å; V46-L50 WeakPolarHBondContact O-CG 3.39Å; V46-L50 PolarHBondContact O-N 2.99Å; L47-L50 PolarHBondContact O-N 2.98Å; L50-F53 PolarHBondContact O-N 3.46Å; L50-A54 WeakPolarHBondContact O-CB 3.48Å; L50-A54 PolarHBondContact O-N 3.03Å |
| 51 | L | 97.5 | Very high | 95.7 | Very high | 104 Ų | 104 | 71.1 Ų | 71.1 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 176.8 | -69.8 | 176.1 | 0 | 0 | 0 | 111.4 | L47 F53 A54 V55 | L47-L51 HydrophobicContact CD1-CD1 4.43Å; L47-L51 HydrophobicContact CD1-CG 4.46Å; L47-L51 HydrophobicContact CG-CD1 4Å; L47-L51 HydrophobicContact CG-CG 4.4Å; L47-L51 WeakPolarHBondContact O-CB 3.27Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.32Å; L47-L51 PolarHBondContact O-N 3.38Å; L51-F53 VanDerWaalsContact C-N 3.29Å; L51-F53 PolarHBondContact O-N 3.25Å; L51-A54 PolarHBondContact O-N 3.14Å; L51-V55 WeakPolarHBondContact O-CB 3.36Å; L51-V55 VanDerWaalsContact O-CG2 3.28Å; L51-V55 WeakPolarHBondContact O-CG2 3.46Å; L51-V55 PolarHBondContact O-N 3.35Å |
| 52 | A | 97.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 70.4 Ų | 70.4 | 7% | 0.066 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A16 L17 Q48 T49 T56 | A16-A52 HydrophobicContact CB-CB 3.88Å; L17-A52 HydrophobicContact CB-CB 4.28Å; L17-A52 HydrophobicContact CD1-CB 3.9Å; Q48-A52 WeakPolarHBondContact O-CB 3.41Å; Q48-A52 PolarHBondContact O-N 2.92Å; T49-A52 PolarHBondContact O-N 3.46Å; A52-T56 VanDerWaalsContact O-CB 3.32Å; A52-T56 WeakPolarHBondContact O-CB 3.43Å; A52-T56 PolarHBondContact O-N 2.93Å; A52-T56 PolarHBondContact O-OG1 3.36Å |
| 53 | F | 97.8 | Very high | 95.9 | Very high | 123 Ų | 123 | 71 Ų | 71 | 54% | 0.539 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.5 | -51.5 | 175.5 | 176 | -107.8 | 0 | 0 | 0 | 111.9 | L17 T49 L50 L51 V55 T56 C57 | L17-F53 HydrophobicContact CD1-CB 4.36Å; T49-F53 VanDerWaalsContact O-CB 3.24Å; T49-F53 WeakPolarHBondContact O-CB 3.49Å; T49-F53 PolarHBondContact O-N 3.29Å; L50-F53 PolarHBondContact O-N 3.46Å; L51-F53 VanDerWaalsContact C-N 3.29Å; L51-F53 PolarHBondContact O-N 3.25Å; F53-V55 PolarHBondContact O-N 2.91Å; F53-T56 PolarHBondContact O-N 2.9Å; F53-C57 VanDerWaalsContact CE2-SG 3.59Å; F53-C57 VanDerWaalsContact CZ-SG 3.57Å; F53-C57 PolarHBondContact O-N 3.31Å |
| 54 | A | 97.7 | Very high | 95.7 | Very high | 55 Ų | 55 | 68.2 Ų | 68.2 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L50 L51 T56 C57 Y58 | L50-A54 WeakPolarHBondContact O-CB 3.48Å; L50-A54 PolarHBondContact O-N 3.03Å; L51-A54 PolarHBondContact O-N 3.14Å; A54-T56 VanDerWaalsContact C-N 3.34Å; A54-T56 PolarHBondContact O-N 3.48Å; A54-C57 PolarHBondContact O-N 3.35Å; A54-Y58 VanDerWaalsContact O-CB 3.31Å; A54-Y58 WeakPolarHBondContact O-CB 3.35Å; A54-Y58 PolarHBondContact O-N 2.95Å |
| 55 | V | 96.3 | Very high | 95.3 | Very high | 59 Ų | 59 | 65 Ų | 65 | 36% | 0.358 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | L9 L51 F53 Y58 G59 | L9-V55 HydrophobicContact CD1-CG1 3.73Å; L9-V55 HydrophobicContact CD2-CG1 4.29Å; L9-V55 HydrophobicContact CG-CG1 3.82Å; L51-V55 WeakPolarHBondContact O-CB 3.36Å; L51-V55 VanDerWaalsContact O-CG2 3.28Å; L51-V55 WeakPolarHBondContact O-CG2 3.46Å; L51-V55 PolarHBondContact O-N 3.35Å; F53-V55 PolarHBondContact O-N 2.91Å; V55-Y58 PolarHBondContact O-N 3.28Å; V55-G59 PolarHBondContact O-N 3.47Å |
| 56 | T | 97 | Very high | 95 | Very high | 9 Ų | 9 | 71.8 Ų | 71.8 | 6% | 0.055 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 179 | -56.6 | 0 | 0 | 0 | 0 | 111 | V10 G13 L14 A52 F53 A54 Y58 G59 I60 | V10-T56 HydrophobicContact CG1-CG2 4.29Å; G13-T56 VanDerWaalsContact C-OG1 3.29Å; G13-T56 WeakPolarHBondContact CA-OG1 3.41Å; L14-T56 HydrophobicContact CD2-CG2 3.98Å; L14-T56 HydrophobicContact CG-CG2 4.2Å; A52-T56 VanDerWaalsContact O-CB 3.32Å; A52-T56 WeakPolarHBondContact O-CB 3.43Å; A52-T56 PolarHBondContact O-N 2.93Å; A52-T56 PolarHBondContact O-OG1 3.36Å; F53-T56 PolarHBondContact O-N 2.9Å; A54-T56 VanDerWaalsContact C-N 3.34Å; A54-T56 PolarHBondContact O-N 3.48Å; T56-Y58 VanDerWaalsContact C-N 3.34Å; T56-Y58 PolarHBondContact O-N 2.93Å; T56-G59 PolarHBondContact O-N 3.47Å; T56-I60 HydrophobicContact CG2-CD1 3.82Å; T56-I60 HydrophobicContact CG2-CG1 4.46Å; T56-I60 VanDerWaalsContact O-CG1 3.27Å; T56-I60 WeakPolarHBondContact O-CG1 3.42Å; T56-I60 PolarHBondContact O-N 3.41Å |
| 57 | C | 96.7 | Very high | 94.7 | Very high | 51 Ų | 51 | 78.8 Ų | 78.8 | 35% | 0.345 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 175.5 | -73.4 | 0 | 0 | 0 | 0 | 111.7 | F53 A54 G59 I60 V61 | F53-C57 VanDerWaalsContact CE2-SG 3.59Å; F53-C57 VanDerWaalsContact CZ-SG 3.57Å; F53-C57 PolarHBondContact O-N 3.31Å; A54-C57 PolarHBondContact O-N 3.35Å; C57-G59 VanDerWaalsContact C-N 3.34Å; C57-G59 PolarHBondContact O-N 3.01Å; C57-I60 PolarHBondContact O-N 2.93Å; C57-V61 WeakPolarHBondContact O-CG2 3.49Å; C57-V61 PolarHBondContact O-N 2.91Å |
| 58 | Y | 95.3 | Very high | 94.3 | Very high | 128 Ų | 128 | 81.2 Ų | 81.2 | 50% | 0.502 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 178.5 | -175.5 | -104.1 | 0 | 0 | 0 | 112 | W6 A54 V55 T56 H62 | W6-Y58 AromaticContact CH2-CE1 3.69Å; W6-Y58 HydrophobicContact CH2-CE1 3.69Å; W6-Y58 AromaticContact CZ3-CD1 3.93Å; W6-Y58 HydrophobicContact CZ3-CD1 3.93Å; W6-Y58 AromaticContact CZ3-CE1 3.51Å; W6-Y58 HydrophobicContact CZ3-CE1 3.51Å; A54-Y58 VanDerWaalsContact O-CB 3.31Å; A54-Y58 WeakPolarHBondContact O-CB 3.35Å; A54-Y58 PolarHBondContact O-N 2.95Å; V55-Y58 PolarHBondContact O-N 3.28Å; T56-Y58 VanDerWaalsContact C-N 3.34Å; T56-Y58 PolarHBondContact O-N 2.93Å; Y58-H62 AromaticContact CD2-CE1 3.98Å; Y58-H62 AromaticContact CE1-CE1 3.88Å; Y58-H62 AromaticContact CE2-CE1 3.42Å; Y58-H62 VanDerWaalsContact CE2-CE1 3.42Å; Y58-H62 WeakPolarHBondContact CE2-CE1 3.31Å; Y58-H62 AromaticContact CZ-CE1 3.35Å; Y58-H62 PolarHBondContact O-N 3.42Å; Y58-H62 PolarHBondContact O-ND1 2.91Å |
| 59 | G | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | V10 V55 T56 C57 V61 H62 I63 | V10-G59 VanDerWaalsContact CG2-C 3.45Å; V55-G59 PolarHBondContact O-N 3.47Å; T56-G59 PolarHBondContact O-N 3.47Å; C57-G59 VanDerWaalsContact C-N 3.34Å; C57-G59 PolarHBondContact O-N 3.01Å; G59-V61 PolarHBondContact O-N 3.13Å; G59-H62 PolarHBondContact O-N 2.91Å; G59-I63 VanDerWaalsContact O-CG1 3.31Å; G59-I63 WeakPolarHBondContact O-CG1 3.47Å; G59-I63 PolarHBondContact O-N 3.21Å; G59-I63 VanDerWaalsContact O-N 3.13Å |
| 60 | I | 95.1 | Very high | 93.2 | Very high | 89 Ų | 89 | 91 Ų | 91 | 46% | 0.456 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | -179.9 | -69.9 | 166.7 | 0 | 0 | 0 | 111.2 | V10 T56 C57 H62 I63 A64 | V10-I60 HydrophobicContact CG1-CG1 4.12Å; V10-I60 HydrophobicContact CG2-CG1 3.95Å; T56-I60 HydrophobicContact CG2-CD1 3.82Å; T56-I60 HydrophobicContact CG2-CG1 4.46Å; T56-I60 VanDerWaalsContact O-CG1 3.27Å; T56-I60 WeakPolarHBondContact O-CG1 3.42Å; T56-I60 PolarHBondContact O-N 3.41Å; C57-I60 PolarHBondContact O-N 2.93Å; I60-H62 PolarHBondContact O-N 3.42Å; I60-I63 PolarHBondContact O-N 3.35Å; I60-A64 PolarHBondContact O-N 3.01Å |
| 61 | V | 94.5 | Very high | 92.8 | Very high | 101 Ų | 101 | 90.2 Ų | 90.2 | 61% | 0.612 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -57.6 | -40 | 178 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | C57 G59 I63 A64 | C57-V61 WeakPolarHBondContact O-CG2 3.49Å; C57-V61 PolarHBondContact O-N 2.91Å; G59-V61 PolarHBondContact O-N 3.13Å; V61-I63 VanDerWaalsContact C-N 3.33Å; V61-I63 PolarHBondContact O-N 3.3Å; V61-A64 PolarHBondContact O-N 3.25Å |
| 62 | H | 91.9 | Very high | 92 | Very high | 62 Ų | 62 | 89 Ų | 89 | 29% | 0.287 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74.8 | -20.4 | 177.5 | -71.5 | 78.4 | 0 | 0 | 0 | 113.7 | A2 W6 Y58 G59 I60 | A2-H62 WeakPolarHBondContact CB-O 3.48Å; W6-H62 HydrophobicContact CD2-CB 3.79Å; W6-H62 HydrophobicContact CE3-CB 4.2Å; W6-H62 HydrophobicContact CG-CB 3.96Å; W6-H62 AromaticContact CZ2-CD2 3.83Å; Y58-H62 AromaticContact CD2-CE1 3.98Å; Y58-H62 AromaticContact CE1-CE1 3.88Å; Y58-H62 AromaticContact CE2-CE1 3.42Å; Y58-H62 VanDerWaalsContact CE2-CE1 3.42Å; Y58-H62 WeakPolarHBondContact CE2-CE1 3.31Å; Y58-H62 AromaticContact CZ-CE1 3.35Å; Y58-H62 PolarHBondContact O-N 3.42Å; Y58-H62 PolarHBondContact O-ND1 2.91Å; G59-H62 PolarHBondContact O-N 2.91Å; I60-H62 PolarHBondContact O-N 3.42Å |
| 63 | I | 92.6 | Very high | 91.3 | Very high | 62 Ų | 62 | 92.3 Ų | 92.3 | 32% | 0.318 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -84.9 | -28.2 | 174.6 | -65.6 | 167.3 | 0 | 0 | 0 | 111.5 | W6 K7 V10 G59 I60 V61 G65 | W6-I63 HydrophobicContact CB-CD1 4.3Å; W6-I63 HydrophobicContact CB-CG1 3.78Å; K7-I63 HydrophobicContact CB-CD1 4.45Å; K7-I63 HydrophobicContact CG-CD1 3.98Å; K7-I63 HydrophobicContact CG-CG1 4.28Å; V10-I63 HydrophobicContact CB-CD1 4.17Å; V10-I63 HydrophobicContact CG2-CD1 3.56Å; G59-I63 VanDerWaalsContact O-CG1 3.31Å; G59-I63 WeakPolarHBondContact O-CG1 3.47Å; G59-I63 PolarHBondContact O-N 3.21Å; G59-I63 VanDerWaalsContact O-N 3.13Å; I60-I63 PolarHBondContact O-N 3.35Å; V61-I63 VanDerWaalsContact C-N 3.33Å; V61-I63 PolarHBondContact O-N 3.3Å; I63-G65 PolarHBondContact O-N 2.99Å |
| 64 | A | 89.6 | Confident | 90.6 | Very high | 87 Ų | 87 | 87.9 Ų | 87.9 | 72% | 0.719 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -58.6 | -19.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I60 V61 | I60-A64 PolarHBondContact O-N 3.01Å; V61-A64 PolarHBondContact O-N 3.25Å |
| 65 | G | 86.6 | Confident | 89.8 | Confident | 47 Ų | 47 | 89.5 Ų | 89.5 | 49% | 0.485 | 49% | 0.486 | S | S | . | . | trans | 112.5 | 163.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I63 | I63-G65 PolarHBondContact O-N 2.99Š| ||
| 66 | E | 89.2 | Confident | 89.1 | Confident | 161 Ų | 161 | 91.3 Ų | 91.3 | 75% | 0.752 | 49% | 0.493 | S | S | * | . | trans | -81.8 | 145.7 | 176.9 | -62.3 | -61.4 | 151 | 0 | 0 | 110 | ||||
| 67 | F | 89.8 | Confident | 88.4 | Confident | 208 Ų | 208 | 98.8 Ų | 98.8 | 91% | 0.912 | 53% | 0.525 | S | S | * | . | trans | -65.4 | 143 | 169.3 | -63.6 | -72.9 | 0 | 0 | 0 | 110 | ||||
| 68 | K | 87.3 | Confident | 87.8 | Confident | 147 Ų | 147 | 103.5 Ų | 103.5 | 64% | 0.639 | 55% | 0.547 | S | S | * | . | trans | -109.6 | 144 | 174.8 | -167.8 | 177.3 | -172.7 | -166.2 | 0 | 109.3 | M70 E75 | K68-M70 PolarHBondContact O-N 2.84Å; K68-E75 WeakPolarHBondContact CE-OE1 3.42Å; K68-E75 IonicContact NZ-OE1 2.58Å; K68-E75 PolarHBondContact NZ-OE1 2.97Å; K68-E75 IonicContact NZ-OE2 2.92Å; K68-E75 PolarHBondContact NZ-OE2 3.17Å | ||
| 69 | D | 87.1 | Confident | 87.3 | Confident | 116 Ų | 116 | 102.6 Ų | 102.6 | 62% | 0.62 | 55% | 0.546 | S | S | * | . | trans | -58.1 | 136.9 | 177 | -66.5 | -21.3 | 0 | 0 | 0 | 111.1 | D71 | D69-D71 VanDerWaalsContact C-N 3.33Š| ||
| 70 | M | 85.7 | Confident | 87 | Confident | 190 Ų | 190 | 106.7 Ų | 106.7 | 94% | 0.936 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -76.6 | -22.2 | 177.5 | -174.4 | 173.3 | 66.5 | 0 | 0 | 112.5 | K68 A72 | K68-M70 PolarHBondContact O-N 2.84Å; M70-A72 PolarHBondContact O-N 2.87Å |
| 71 | D | 89.1 | Confident | 86.7 | Confident | 88 Ų | 88 | 109.1 Ų | 109.1 | 47% | 0.471 | 58% | 0.578 | S | S | . | * | trans | -72.8 | 113.6 | -179.1 | 179.8 | 13.3 | 0 | 0 | 0 | 111.1 | D69 T73 S74 | D69-D71 VanDerWaalsContact C-N 3.33Å; D71-T73 PolarHBondContact O-N 2.91Å; D71-T73 VanDerWaalsContact O-N 3.14Å; D71-T73 VanDerWaalsContact OD1-CB 3.27Å; D71-T73 WeakPolarHBondContact OD1-CB 3.46Å; D71-T73 PolarHBondContact OD1-N 3.48Å; D71-T73 PolarHBondContact OD1-OG1 3.14Å; D71-S74 WeakPolarHBondContact O-CB 2.95Å; D71-S74 PolarHBondContact O-N 3.44Å; D71-S74 VanDerWaalsContact O-N 3.11Å; D71-S74 PolarHBondContact O-OG 3.47Å | ||
| 72 | A | 81.3 | Confident | 86.3 | Confident | 77 Ų | 77 | 109.7 Ų | 109.7 | 64% | 0.636 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.3 | -23.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M70 S74 L76 | M70-A72 PolarHBondContact O-N 2.87Å; A72-S74 VanDerWaalsContact C-N 3.29Å; A72-S74 PolarHBondContact O-N 3.14Å; A72-L76 PolarHBondContact O-N 3.27Å |
| 73 | T | 83.4 | Confident | 86.1 | Confident | 79 Ų | 79 | 110.8 Ų | 110.8 | 49% | 0.485 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.1 | -30.3 | 178.9 | -40.9 | 0 | 0 | 0 | 0 | 111.4 | D71 E75 L76 K77 | D71-T73 PolarHBondContact O-N 2.91Å; D71-T73 VanDerWaalsContact O-N 3.14Å; D71-T73 VanDerWaalsContact OD1-CB 3.27Å; D71-T73 WeakPolarHBondContact OD1-CB 3.46Å; D71-T73 PolarHBondContact OD1-N 3.48Å; D71-T73 PolarHBondContact OD1-OG1 3.14Å; T73-E75 VanDerWaalsContact C-N 3.33Å; T73-E75 PolarHBondContact O-N 3.47Å; T73-L76 PolarHBondContact O-N 3.11Å; T73-L76 VanDerWaalsContact O-N 3.14Å; T73-K77 WeakPolarHBondContact O-CG 3.27Å; T73-K77 PolarHBondContact O-N 3.03Å |
| 74 | S | 81.6 | Confident | 85.8 | Confident | 30 Ų | 30 | 112.4 Ų | 112.4 | 21% | 0.21 | 60% | 0.598 | C | S | . | * | H | α-helix | trans | -63.7 | -39.7 | -179.1 | 76.1 | 0 | 0 | 0 | 0 | 111.5 | D71 A72 L76 | D71-S74 WeakPolarHBondContact O-CB 2.95Å; D71-S74 PolarHBondContact O-N 3.44Å; D71-S74 VanDerWaalsContact O-N 3.11Å; D71-S74 PolarHBondContact O-OG 3.47Å; A72-S74 VanDerWaalsContact C-N 3.29Å; A72-S74 PolarHBondContact O-N 3.14Å; S74-L76 VanDerWaalsContact C-N 3.33Å |
| 75 | E | 81.6 | Confident | 85.9 | Confident | 88 Ų | 88 | 116.2 Ų | 116.2 | 41% | 0.411 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.5 | -29.7 | 175 | -66.8 | -165.1 | -141.8 | 0 | 0 | 113 | K68 T73 | K68-E75 WeakPolarHBondContact CE-OE1 3.42Å; K68-E75 IonicContact NZ-OE1 2.58Å; K68-E75 PolarHBondContact NZ-OE1 2.97Å; K68-E75 IonicContact NZ-OE2 2.92Å; K68-E75 PolarHBondContact NZ-OE2 3.17Å; T73-E75 VanDerWaalsContact C-N 3.33Å; T73-E75 PolarHBondContact O-N 3.47Å |
| 76 | L | 81 | Confident | 86.1 | Confident | 97 Ų | 97 | 117.8 Ų | 117.8 | 51% | 0.508 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -83 | -22.6 | -176.5 | -147.8 | 75.3 | 0 | 0 | 0 | 112.8 | A72 T73 S74 N78 K79 | A72-L76 PolarHBondContact O-N 3.27Å; T73-L76 PolarHBondContact O-N 3.11Å; T73-L76 VanDerWaalsContact O-N 3.14Å; S74-L76 VanDerWaalsContact C-N 3.33Å; L76-N78 PolarHBondContact O-N 2.92Å; L76-N78 VanDerWaalsContact O-N 3.17Å; L76-K79 HydrophobicContact CD1-CD 3.85Å; L76-K79 PolarHBondContact O-N 2.58Å |
| 77 | K | 81.9 | Confident | 86.2 | Confident | 166 Ų | 166 | 115.7 Ų | 115.7 | 72% | 0.722 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -32.2 | 177.4 | -80.8 | 177.8 | -178.3 | -175.3 | 0 | 113.7 | T73 | T73-K77 WeakPolarHBondContact O-CG 3.27Å; T73-K77 PolarHBondContact O-N 3.03Å |
| 78 | N | 84.8 | Confident | 86.3 | Confident | 150 Ų | 150 | 109.9 Ų | 109.9 | 80% | 0.802 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -0.9 | 179.1 | -69 | -47.6 | 0 | 0 | 0 | 113.7 | L76 | L76-N78 PolarHBondContact O-N 2.92Å; L76-N78 VanDerWaalsContact O-N 3.17Å |
| 79 | K | 85.6 | Confident | 86.7 | Confident | 110 Ų | 110 | 108 Ų | 108 | 48% | 0.478 | 57% | 0.57 | S | S | . | * | trans | -91.8 | 127.7 | 177.7 | -87.6 | 167.6 | 174.9 | 141.3 | 0 | 110.6 | L76 | L76-K79 HydrophobicContact CD1-CD 3.85Å; L76-K79 PolarHBondContact O-N 2.58Å | ||
| 80 | T | 87.9 | Confident | 87 | Confident | 86 Ų | 86 | 110.5 Ų | 110.5 | 53% | 0.528 | 58% | 0.575 | S | S | . | * | trans | -95.6 | 153.2 | 175.6 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | D82 T83 L84 | T80-D82 HydrophobicContact CG2-CB 4.45Å; T80-D82 PolarHBondContact O-N 3.44Å; T80-D82 VanDerWaalsContact O-N 3.12Å; T80-T83 PolarHBondContact O-N 2.96Å; T80-T83 PolarHBondContact O-OG1 3.12Å; T80-L84 PolarHBondContact O-N 2.68Å | ||
| 81 | F | 88 | Confident | 87.4 | Confident | 140 Ų | 140 | 106.5 Ų | 106.5 | 61% | 0.614 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -53.5 | -32.4 | 178.2 | -172.1 | -105.9 | 0 | 0 | 0 | 113.6 | T83 L84 R85 | F81-T83 VanDerWaalsContact C-N 3.28Å; F81-T83 PolarHBondContact O-N 2.85Å; F81-L84 PolarHBondContact O-N 3.1Å; F81-L84 VanDerWaalsContact O-N 3.1Å; F81-R85 HydrophobicContact CD1-CB 4.44Å; F81-R85 HydrophobicContact CE1-CB 4.17Å; F81-R85 HydrophobicContact CE1-CG 4.38Å; F81-R85 HydrophobicContact CZ-CB 4.48Å; F81-R85 WeakPolarHBondContact O-CB 3.4Å; F81-R85 PolarHBondContact O-N 3.31Å |
| 82 | D | 85.9 | Confident | 87.6 | Confident | 112 Ų | 112 | 107.4 Ų | 107.4 | 60% | 0.599 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.1 | -36 | 175.9 | -68.9 | -32 | 0 | 0 | 0 | 113.2 | T80 | T80-D82 HydrophobicContact CG2-CB 4.45Å; T80-D82 PolarHBondContact O-N 3.44Å; T80-D82 VanDerWaalsContact O-N 3.12Å |
| 83 | T | 88.6 | Confident | 88.1 | Confident | 86 Ų | 86 | 110.5 Ų | 110.5 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74.1 | -29.3 | 176 | 64.4 | 0 | 0 | 0 | 0 | 112.7 | T80 F81 | T80-T83 PolarHBondContact O-N 2.96Å; T80-T83 PolarHBondContact O-OG1 3.12Å; F81-T83 VanDerWaalsContact C-N 3.28Å; F81-T83 PolarHBondContact O-N 2.85Å |
| 84 | L | 86.7 | Confident | 88.4 | Confident | 95 Ų | 95 | 112.6 Ų | 112.6 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -82.9 | -37.8 | -179.4 | -67.1 | 176.7 | 0 | 0 | 0 | 112.7 | T80 F81 N86 | T80-L84 PolarHBondContact O-N 2.68Å; F81-L84 PolarHBondContact O-N 3.1Å; F81-L84 VanDerWaalsContact O-N 3.1Å; L84-N86 PolarHBondContact O-N 3.33Å |
| 85 | R | 89.8 | Confident | 88.8 | Confident | 167 Ų | 167 | 116.4 Ų | 116.4 | 63% | 0.63 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.6 | -24.4 | -179.9 | -172.2 | 177.4 | 75.7 | 170.5 | -1.4 | 112.5 | F81 H87 | F81-R85 HydrophobicContact CD1-CB 4.44Å; F81-R85 HydrophobicContact CE1-CB 4.17Å; F81-R85 HydrophobicContact CE1-CG 4.38Å; F81-R85 HydrophobicContact CZ-CB 4.48Å; F81-R85 WeakPolarHBondContact O-CB 3.4Å; F81-R85 PolarHBondContact O-N 3.31Å; R85-H87 PolarHBondContact O-CD2 3.35Å; R85-H87 PolarHBondContact O-N 2.77Å; R85-H87 VanDerWaalsContact O-N 3.11Å |
| 86 | N | 91.2 | Very high | 89.2 | Confident | 81 Ų | 81 | 122.1 Ų | 122.1 | 43% | 0.433 | 60% | 0.599 | S | S | . | * | trans | -73.7 | 99.4 | -179.2 | -176 | 59.5 | 0 | 0 | 0 | 110.5 | L84 P88 Y91 | L84-N86 PolarHBondContact O-N 3.33Å; N86-P88 WeakPolarHBondContact O-CD 3.33Å; N86-Y91 PolarHBondContact ND2-OH 3.11Å; N86-Y91 WeakPolarHBondContact OD1-CE1 3.35Å; N86-Y91 PolarHBondContact OD1-OH 3.39Å; N86-Y91 VanDerWaalsContact OD1-OH 3.12Å | ||
| 87 | H | 92.4 | Very high | 89.6 | Confident | 116 Ų | 116 | 118.1 Ų | 118.1 | 54% | 0.537 | 58% | 0.58 | S | S | . | * | trans | -98.1 | 103.9 | 177.1 | -70.9 | -73.7 | 0 | 0 | 0 | 111.4 | R85 S89 F90 Y91 | R85-H87 PolarHBondContact O-CD2 3.35Å; R85-H87 PolarHBondContact O-N 2.77Å; R85-H87 VanDerWaalsContact O-N 3.11Å; H87-S89 PolarHBondContact O-N 3.12Å; H87-F90 HydrophobicContact CB-CB 4.45Å; H87-F90 HydrophobicContact CB-CD2 3.99Å; H87-F90 PolarHBondContact O-N 3.12Å; H87-Y91 WeakPolarHBondContact O-CD1 3.09Å | ||
| 88 | P | 91.9 | Very high | 89.8 | Confident | 87 Ų | 87 | 117.7 Ų | 117.7 | 57% | 0.565 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -60.7 | -31 | -174.6 | -24.2 | 35.8 | 0 | 0 | 0 | 114.1 | N86 F90 Y91 | N86-P88 WeakPolarHBondContact O-CD 3.33Å; P88-F90 PolarHBondContact O-N 3.3Å; P88-Y91 HydrophobicContact CB-CE1 4.49Å; P88-Y91 HydrophobicContact CB-CE2 4.26Å |
| 89 | S | 94.7 | Very high | 90 | Very high | 108 Ų | 108 | 116.1 Ų | 116.1 | 76% | 0.755 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -66.9 | -18.7 | 177.9 | -52 | 0 | 0 | 0 | 0 | 113.9 | H87 | H87-S89 PolarHBondContact O-N 3.12Š|
| 90 | F | 95 | Very high | 90.1 | Very high | 168 Ų | 168 | 116.3 Ų | 116.3 | 74% | 0.737 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -118.6 | 26.8 | -175.2 | -62.7 | -72.2 | 0 | 0 | 0 | 112.7 | H87 P88 V92 | H87-F90 HydrophobicContact CB-CB 4.45Å; H87-F90 HydrophobicContact CB-CD2 3.99Å; H87-F90 PolarHBondContact O-N 3.12Å; P88-F90 PolarHBondContact O-N 3.3Å; F90-V92 PolarHBondContact O-N 2.92Å |
| 91 | Y | 93.6 | Very high | 90.1 | Very high | 106 Ų | 106 | 120.4 Ų | 120.4 | 42% | 0.416 | 59% | 0.586 | S | S | . | * | trans | -64.5 | 129 | 176.4 | -74.8 | -9.5 | 0 | 0 | 0 | 112.2 | N86 H87 P88 F93 | N86-Y91 PolarHBondContact ND2-OH 3.11Å; N86-Y91 WeakPolarHBondContact OD1-CE1 3.35Å; N86-Y91 PolarHBondContact OD1-OH 3.39Å; N86-Y91 VanDerWaalsContact OD1-OH 3.12Å; H87-Y91 WeakPolarHBondContact O-CD1 3.09Å; P88-Y91 HydrophobicContact CB-CE1 4.49Å; P88-Y91 HydrophobicContact CB-CE2 4.26Å; Y91-F93 HydrophobicContact CD2-CE1 4.4Å; Y91-F93 HydrophobicContact CD2-CZ 4.3Å | ||
| 92 | V | 92.8 | Very high | 89.8 | Confident | 106 Ų | 106 | 119.2 Ų | 119.2 | 64% | 0.642 | 58% | 0.578 | S | S | * | * | trans | -113 | 117.1 | 170.5 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | F90 N94 | F90-V92 PolarHBondContact O-N 2.92Å; V92-N94 HydrophobicContact CG1-CB 4.04Å; V92-N94 PolarHBondContact O-N 3.24Å | ||
| 93 | F | 91.6 | Very high | 89.2 | Confident | 142 Ų | 142 | 117.7 Ų | 117.7 | 62% | 0.623 | 57% | 0.574 | S | S | * | * | trans | -83.2 | 5.3 | -175.9 | -57.9 | -73.8 | 0 | 0 | 0 | 114.1 | Y91 H95 | Y91-F93 HydrophobicContact CD2-CE1 4.4Å; Y91-F93 HydrophobicContact CD2-CZ 4.3Å; F93-H95 VanDerWaalsContact C-N 3.26Å; F93-H95 PolarHBondContact O-N 3.06Å; F93-H95 VanDerWaalsContact O-N 3.09Å; F93-H95 PolarHBondContact O-ND1 3.26Å | ||
| 94 | N | 89.6 | Confident | 88.2 | Confident | 123 Ų | 123 | 118.5 Ų | 118.5 | 66% | 0.658 | 58% | 0.583 | S | S | * | * | trans | -85.1 | 59.8 | 174.9 | -65.8 | -34.2 | 0 | 0 | 0 | 111.5 | V92 R98 | V92-N94 HydrophobicContact CG1-CB 4.04Å; V92-N94 PolarHBondContact O-N 3.24Å; N94-R98 PolarHBondContact OD1-NH1 3.04Å | ||
| 95 | H | 90.8 | Very high | 87 | Confident | 110 Ų | 110 | 120.8 Ų | 120.8 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -118.3 | 166.4 | 178.5 | 64.3 | -77.6 | 0 | 0 | 0 | 111.6 | F93 G97 R98 | F93-H95 VanDerWaalsContact C-N 3.26Å; F93-H95 PolarHBondContact O-N 3.06Å; F93-H95 VanDerWaalsContact O-N 3.09Å; F93-H95 PolarHBondContact O-ND1 3.26Å; H95-G97 PolarHBondContact CD2-N 3.28Å; H95-G97 VanDerWaalsContact CD2-N 3.3Å; H95-G97 PolarHBondContact O-N 3.01Å; H95-G97 VanDerWaalsContact O-N 3.12Å; H95-R98 VanDerWaalsContact O-CB 3.31Å; H95-R98 WeakPolarHBondContact O-CB 3.49Å; H95-R98 PolarHBondContact O-N 3.3Å |
| 96 | R | 89.4 | Confident | 85.4 | Confident | 209 Ų | 209 | 115.6 Ų | 115.6 | 79% | 0.789 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -28.6 | -176 | -62.3 | 177.2 | 70.9 | -162.7 | 1.6 | 113.3 | R98 V99 L100 | R96-R98 PolarHBondContact O-N 3.19Å; R96-V99 PolarHBondContact O-N 3.2Å; R96-V99 VanDerWaalsContact O-N 3.16Å; R96-L100 HydrophobicContact CB-CD1 4.24Å; R96-L100 WeakPolarHBondContact O-CG 3.45Å; R96-L100 PolarHBondContact O-N 3.34Å |
| 97 | G | 90.4 | Very high | 83.7 | Confident | 12 Ų | 12 | 115.5 Ų | 115.5 | 12% | 0.124 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -57.7 | -27.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | H95 V99 L100 F101 | H95-G97 PolarHBondContact CD2-N 3.28Å; H95-G97 VanDerWaalsContact CD2-N 3.3Å; H95-G97 PolarHBondContact O-N 3.01Å; H95-G97 VanDerWaalsContact O-N 3.12Å; G97-V99 PolarHBondContact O-N 3.17Å; G97-L100 PolarHBondContact O-N 3.16Å; G97-F101 WeakPolarHBondContact O-CB 3.31Å; G97-F101 PolarHBondContact O-N 3.22Å |
| 98 | R | 86 | Confident | 81.7 | Confident | 157 Ų | 157 | 116.2 Ų | 116.2 | 59% | 0.592 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -59.6 | -32.4 | 176.8 | -170.9 | 175.1 | 73.4 | 178.6 | 0.9 | 113.6 | N94 H95 R96 | N94-R98 PolarHBondContact OD1-NH1 3.04Å; H95-R98 VanDerWaalsContact O-CB 3.31Å; H95-R98 WeakPolarHBondContact O-CB 3.49Å; H95-R98 PolarHBondContact O-N 3.3Å; R96-R98 PolarHBondContact O-N 3.19Å |
| 99 | V | 87.3 | Confident | 79.8 | Confident | 118 Ų | 118 | 114.8 Ų | 114.8 | 72% | 0.715 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -95.7 | -36.5 | 180 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | R96 G97 | R96-V99 PolarHBondContact O-N 3.2Å; R96-V99 VanDerWaalsContact O-N 3.16Å; G97-V99 PolarHBondContact O-N 3.17Å |
| 100 | L | 88.7 | Confident | 77.8 | Confident | 114 Ų | 114 | 111.6 Ų | 111.6 | 60% | 0.597 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -74.9 | -30.6 | -176.2 | -66.2 | 172.3 | 0 | 0 | 0 | 113.6 | R96 G97 | R96-L100 HydrophobicContact CB-CD1 4.24Å; R96-L100 WeakPolarHBondContact O-CG 3.45Å; R96-L100 PolarHBondContact O-N 3.34Å; G97-L100 PolarHBondContact O-N 3.16Å |
| 101 | F | 87.9 | Confident | 75.7 | Confident | 171 Ų | 171 | 109.4 Ų | 109.4 | 75% | 0.75 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 28.4 | -174.9 | -54.9 | -67.5 | 0 | 0 | 0 | 112.7 | G97 | G97-F101 WeakPolarHBondContact O-CB 3.31Å; G97-F101 PolarHBondContact O-N 3.22Å |
| 102 | R | 82.1 | Confident | 73.8 | Confident | 116 Ų | 116 | 111 Ų | 111 | 44% | 0.438 | 57% | 0.57 | S | S | . | * | trans | -70.7 | 128.9 | 177.7 | -169.1 | 173.8 | 179.8 | 172.3 | -3.9 | 110 | T106 S110 | R102-T106 PolarHBondContact NH2-O 3.09Å; R102-S110 VanDerWaalsContact NH2-CB 3.33Å; R102-S110 PolarHBondContact NH2-OG 3.36Å | ||
| 103 | P | 73.6 | Confident | 71.9 | Confident | 79 Ų | 79 | 111 Ų | 111 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | trans | -64.5 | 138.1 | 171.5 | -14.8 | 28.2 | 0 | 0 | 0 | 110.2 | D105 T106 | P103-D105 PolarHBondContact O-N 2.75Å; P103-T106 PolarHBondContact O-N 3.44Å; P103-T106 PolarHBondContact O-OG1 2.96Å | ||
| 104 | S | 66.4 | Low | 70.2 | Confident | 103 Ų | 103 | 106.5 Ų | 106.5 | 72% | 0.72 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -60.5 | -16 | 179.6 | 30.5 | 0 | 0 | 0 | 0 | 114.1 | T107 | S104-T107 PolarHBondContact O-OG1 3.33Š|
| 105 | D | 61.5 | Low | 68.4 | Low | 143 Ų | 143 | 106.3 Ų | 106.3 | 77% | 0.765 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -79.7 | -19.2 | -179.2 | -56.5 | -28.5 | 0 | 0 | 0 | 113.1 | P103 T107 | P103-D105 PolarHBondContact O-N 2.75Å; D105-T107 VanDerWaalsContact C-N 3.31Å; D105-T107 PolarHBondContact O-N 2.81Å |
| 106 | T | 56.9 | Low | 66.6 | Low | 59 Ų | 59 | 104.6 Ų | 104.6 | 36% | 0.362 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -84.6 | -3.3 | -177.3 | -21.9 | 0 | 0 | 0 | 0 | 113.5 | R102 P103 N108 S109 | R102-T106 PolarHBondContact NH2-O 3.09Å; P103-T106 PolarHBondContact O-N 3.44Å; P103-T106 PolarHBondContact O-OG1 2.96Å; T106-N108 VanDerWaalsContact C-N 3.25Å; T106-N108 PolarHBondContact O-N 3.4Å; T106-S109 PolarHBondContact O-N 2.85Å |
| 107 | T | 54.7 | Low | 65.1 | Low | 78 Ų | 78 | 97.4 Ų | 97.4 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -68 | -23.5 | -174.7 | -22.5 | 0 | 0 | 0 | 0 | 112.9 | S104 D105 | S104-T107 PolarHBondContact O-OG1 3.33Å; D105-T107 VanDerWaalsContact C-N 3.31Å; D105-T107 PolarHBondContact O-N 2.81Å |
| 108 | N | 50 | Low | 63.6 | Low | 131 Ų | 131 | 101.8 Ų | 101.8 | 70% | 0.701 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -88.5 | -17.3 | 179.4 | -73 | -20.7 | 0 | 0 | 0 | 114.7 | T106 | T106-N108 VanDerWaalsContact C-N 3.25Å; T106-N108 PolarHBondContact O-N 3.4Å |
| 109 | S | 52 | Low | 62.4 | Low | 57 Ų | 57 | 98.1 Ų | 98.1 | 40% | 0.399 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.4 | -34 | -176 | 168.1 | 0 | 0 | 0 | 0 | 113.3 | T106 N111 Q112 D113 | T106-S109 PolarHBondContact O-N 2.85Å; S109-N111 VanDerWaalsContact C-N 3.25Å; S109-N111 PolarHBondContact O-N 3.17Å; S109-Q112 WeakPolarHBondContact O-CB 3.38Å; S109-Q112 PolarHBondContact O-N 3.25Å; S109-D113 PolarHBondContact O-N 3.16Å; S109-D113 VanDerWaalsContact O-N 3.16Å |
| 110 | S | 54 | Low | 61 | Low | 42 Ų | 42 | 95.7 Ų | 95.7 | 29% | 0.294 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.5 | -23.6 | 179.2 | 52.4 | 0 | 0 | 0 | 0 | 114.2 | R102 Q112 A114 | R102-S110 VanDerWaalsContact NH2-CB 3.33Å; R102-S110 PolarHBondContact NH2-OG 3.36Å; S110-Q112 VanDerWaalsContact C-N 3.28Å; S110-A114 WeakPolarHBondContact O-CB 3.47Å; S110-A114 PolarHBondContact O-N 2.76Å; S110-A114 VanDerWaalsContact O-N 3.17Å |
| 111 | N | 51.1 | Low | 59.7 | Low | 122 Ų | 122 | 95.7 Ų | 95.7 | 65% | 0.652 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.8 | -25.8 | 171.7 | -77.2 | -16.8 | 0 | 0 | 0 | 112 | S109 L115 | S109-N111 VanDerWaalsContact C-N 3.25Å; S109-N111 PolarHBondContact O-N 3.17Å; N111-L115 WeakPolarHBondContact O-CB 3.35Å; N111-L115 PolarHBondContact O-N 3.46Å |
| 112 | Q | 52.6 | Low | 58.4 | Low | 139 Ų | 139 | 94.8 Ų | 94.8 | 65% | 0.65 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -81.7 | -40.4 | 176.3 | -62.8 | -176.1 | 37.5 | 0 | 0 | 111.6 | S109 S110 L115 S116 | S109-Q112 WeakPolarHBondContact O-CB 3.38Å; S109-Q112 PolarHBondContact O-N 3.25Å; S110-Q112 VanDerWaalsContact C-N 3.28Å; Q112-L115 PolarHBondContact O-N 3.33Å; Q112-S116 WeakPolarHBondContact O-CB 3.41Å; Q112-S116 PolarHBondContact O-N 3.45Å |
| 113 | D | 54 | Low | 57.5 | Low | 105 Ų | 105 | 94.6 Ų | 94.6 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.7 | -37.6 | 179.6 | -66.5 | -29.3 | 0 | 0 | 0 | 112.9 | S109 L115 S116 S117 | S109-D113 PolarHBondContact O-N 3.16Å; S109-D113 VanDerWaalsContact O-N 3.16Å; D113-L115 VanDerWaalsContact C-N 3.31Å; D113-S116 PolarHBondContact O-N 2.96Å; D113-S117 PolarHBondContact O-N 3.44Å; D113-S117 PolarHBondContact O-OG 2.95Å |
| 114 | A | 55.6 | Low | 57.1 | Low | 48 Ų | 48 | 100 Ų | 100 | 40% | 0.397 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.6 | -28 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S110 S117 N118 | S110-A114 WeakPolarHBondContact O-CB 3.47Å; S110-A114 PolarHBondContact O-N 2.76Å; S110-A114 VanDerWaalsContact O-N 3.17Å; A114-S117 PolarHBondContact O-OG 3.18Å; A114-N118 PolarHBondContact O-N 3.21Å; A114-N118 PolarHBondContact O-ND2 3.15Å |
| 115 | L | 52.6 | Low | 57 | Low | 120 Ų | 120 | 102.4 Ų | 102.4 | 63% | 0.628 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -75.3 | -39.6 | 174.3 | -160.6 | 74.2 | 0 | 0 | 0 | 111 | N111 Q112 D113 N118 T119 | N111-L115 WeakPolarHBondContact O-CB 3.35Å; N111-L115 PolarHBondContact O-N 3.46Å; Q112-L115 PolarHBondContact O-N 3.33Å; D113-L115 VanDerWaalsContact C-N 3.31Å; L115-N118 PolarHBondContact O-N 3.44Å; L115-T119 WeakPolarHBondContact O-CG2 3.42Å; L115-T119 PolarHBondContact O-N 3.08Å; L115-T119 PolarHBondContact O-OG1 3.26Å; L115-T119 VanDerWaalsContact O-OG1 3.12Å |
| 116 | S | 53 | Low | 57.1 | Low | 73 Ų | 73 | 101.2 Ų | 101.2 | 51% | 0.51 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 178.2 | -171.5 | 0 | 0 | 0 | 0 | 113.5 | Q112 D113 T119 S120 | Q112-S116 WeakPolarHBondContact O-CB 3.41Å; Q112-S116 PolarHBondContact O-N 3.45Å; D113-S116 PolarHBondContact O-N 2.96Å; S116-T119 WeakPolarHBondContact CA-OG1 3.45Å; S116-T119 PolarHBondContact O-OG1 3.04Å; S116-S120 WeakPolarHBondContact O-CB 3.46Å; S116-S120 PolarHBondContact O-N 3.02Å; S116-S120 VanDerWaalsContact O-N 3.08Å; S116-S120 PolarHBondContact O-OG 3.12Å |
| 117 | S | 57.5 | Low | 57.6 | Low | 58 Ų | 58 | 104.6 Ų | 104.6 | 41% | 0.406 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.1 | -36.9 | 175.1 | 65.6 | 0 | 0 | 0 | 0 | 112.3 | D113 A114 S120 L121 | D113-S117 PolarHBondContact O-N 3.44Å; D113-S117 PolarHBondContact O-OG 2.95Å; A114-S117 PolarHBondContact O-OG 3.18Å; S117-S120 PolarHBondContact O-OG 3.01Å; S117-L121 WeakPolarHBondContact O-CG 3.48Å; S117-L121 PolarHBondContact O-N 3.26Å |
| 118 | N | 57.4 | Low | 58.1 | Low | 105 Ų | 105 | 105.4 Ų | 105.4 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72.9 | -36 | 177 | -76.4 | -46.6 | 0 | 0 | 0 | 112.9 | A114 L115 K122 | A114-N118 PolarHBondContact O-N 3.21Å; A114-N118 PolarHBondContact O-ND2 3.15Å; L115-N118 PolarHBondContact O-N 3.44Å; N118-K122 WeakPolarHBondContact O-CB 3.4Å; N118-K122 PolarHBondContact O-N 2.94Å |
| 119 | T | 60.9 | Low | 58.7 | Low | 80 Ų | 80 | 105.8 Ų | 105.8 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.4 | -40.7 | 176.4 | 51.3 | 0 | 0 | 0 | 0 | 112 | L115 S116 K122 L123 | L115-T119 WeakPolarHBondContact O-CG2 3.42Å; L115-T119 PolarHBondContact O-N 3.08Å; L115-T119 PolarHBondContact O-OG1 3.26Å; L115-T119 VanDerWaalsContact O-OG1 3.12Å; S116-T119 WeakPolarHBondContact CA-OG1 3.45Å; S116-T119 PolarHBondContact O-OG1 3.04Å; T119-K122 PolarHBondContact O-N 3.09Å; T119-L123 WeakPolarHBondContact O-CB 3.44Å; T119-L123 PolarHBondContact O-N 3.01Å |
| 120 | S | 58.3 | Low | 59 | Low | 67 Ų | 67 | 113.8 Ų | 113.8 | 47% | 0.469 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.1 | -41.3 | 176.7 | 63.6 | 0 | 0 | 0 | 0 | 113.2 | S116 S117 K122 L123 R124 | S116-S120 WeakPolarHBondContact O-CB 3.46Å; S116-S120 PolarHBondContact O-N 3.02Å; S116-S120 VanDerWaalsContact O-N 3.08Å; S116-S120 PolarHBondContact O-OG 3.12Å; S117-S120 PolarHBondContact O-OG 3.01Å; S120-K122 VanDerWaalsContact C-N 3.35Å; S120-L123 PolarHBondContact O-N 3.42Å; S120-R124 WeakPolarHBondContact O-CB 3.48Å; S120-R124 PolarHBondContact O-N 2.91Å |
| 121 | L | 60.8 | Low | 58.8 | Low | 114 Ų | 114 | 126.1 Ų | 126.1 | 60% | 0.597 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.3 | -37.6 | 174.5 | -74.1 | 171.1 | 0 | 0 | 0 | 112.1 | S117 K125 | S117-L121 WeakPolarHBondContact O-CG 3.48Å; S117-L121 PolarHBondContact O-N 3.26Å; L121-K125 WeakPolarHBondContact O-CB 3.35Å; L121-K125 PolarHBondContact O-N 3.25Å; L121-K125 VanDerWaalsContact O-N 3.09Å |
| 122 | K | 62.3 | Low | 59.2 | Low | 151 Ų | 151 | 126.3 Ų | 126.3 | 66% | 0.657 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.2 | -37.2 | 177.8 | -150.3 | 179.3 | -172.6 | -175.5 | 0 | 112 | N118 T119 S120 K125 L126 | N118-K122 WeakPolarHBondContact O-CB 3.4Å; N118-K122 PolarHBondContact O-N 2.94Å; T119-K122 PolarHBondContact O-N 3.09Å; S120-K122 VanDerWaalsContact C-N 3.35Å; K122-K125 PolarHBondContact O-N 3.18Å; K122-L126 PolarHBondContact O-N 3.35Å |
| 123 | L | 62.7 | Low | 59.6 | Low | 113 Ų | 113 | 125.6 Ų | 125.6 | 59% | 0.592 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.1 | -44 | 177.4 | -157.9 | 149.4 | 0 | 0 | 0 | 111.2 | T119 S120 K125 L126 E127 | T119-L123 WeakPolarHBondContact O-CB 3.44Å; T119-L123 PolarHBondContact O-N 3.01Å; S120-L123 PolarHBondContact O-N 3.42Å; L123-K125 VanDerWaalsContact C-N 3.29Å; L123-K125 PolarHBondContact O-N 3.03Å; L123-L126 PolarHBondContact O-N 3.4Å; L123-E127 WeakPolarHBondContact O-CB 3.4Å; L123-E127 PolarHBondContact O-N 3.18Å |
| 124 | R | 64.1 | Low | 59.9 | Low | 192 Ų | 192 | 126.8 Ų | 126.8 | 73% | 0.725 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.3 | -35.6 | 173.1 | -171.7 | 178 | -84.6 | -176 | -5.4 | 112.5 | S120 S128 | S120-R124 WeakPolarHBondContact O-CB 3.48Å; S120-R124 PolarHBondContact O-N 2.91Å; R124-S128 PolarHBondContact O-N 2.96Å |
| 125 | K | 65.9 | Low | 60.1 | Low | 154 Ų | 154 | 131.4 Ų | 131.4 | 67% | 0.67 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.3 | -35.9 | 175.6 | -164.8 | 173.7 | -174.8 | -179.6 | 0 | 112.8 | L121 K122 L123 | L121-K125 WeakPolarHBondContact O-CB 3.35Å; L121-K125 PolarHBondContact O-N 3.25Å; L121-K125 VanDerWaalsContact O-N 3.09Å; K122-K125 PolarHBondContact O-N 3.18Å; L123-K125 VanDerWaalsContact C-N 3.29Å; L123-K125 PolarHBondContact O-N 3.03Å |
| 126 | L | 63.8 | Low | 60.6 | Low | 117 Ų | 117 | 132.1 Ų | 132.1 | 61% | 0.613 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.1 | -36 | 175.1 | -83.7 | 169.1 | 0 | 0 | 0 | 112.5 | K122 L123 L129 | K122-L126 PolarHBondContact O-N 3.35Å; L123-L126 PolarHBondContact O-N 3.4Å; L126-L129 PolarHBondContact O-N 3.28Å |
| 127 | E | 66.1 | Low | 61.1 | Low | 131 Ų | 131 | 136.1 Ų | 136.1 | 61% | 0.612 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.2 | -33.8 | 178.5 | -150.4 | 161.2 | -155.9 | 0 | 0 | 112.1 | L123 L129 R130 | L123-E127 WeakPolarHBondContact O-CB 3.4Å; L123-E127 PolarHBondContact O-N 3.18Å; E127-L129 PolarHBondContact O-N 3.24Å; E127-R130 PolarHBondContact O-N 3.35Å |
| 128 | S | 64.7 | Low | 61.4 | Low | 94 Ų | 94 | 141.6 Ų | 141.6 | 66% | 0.657 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -21.1 | 171.2 | -179.5 | 0 | 0 | 0 | 0 | 114.3 | R124 | R124-S128 PolarHBondContact O-N 2.96Š|
| 129 | L | 63.9 | Low | 61.7 | Low | 140 Ų | 140 | 144.5 Ų | 144.5 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -3.4 | 178.7 | -76.3 | 166.9 | 0 | 0 | 0 | 112.8 | L126 E127 | L126-L129 PolarHBondContact O-N 3.28Å; E127-L129 PolarHBondContact O-N 3.24Å |
| 130 | R | 58.4 | Low | 61.7 | Low | 225 Ų | 225 | 149.8 Ų | 149.8 | 85% | 0.849 | 69% | 0.692 | S | S | * | * | trans | -101.9 | 1.7 | -177.6 | -153.5 | 179.3 | -153.4 | 157.8 | 8 | 113.6 | E127 | E127-R130 PolarHBondContact O-N 3.35Š| ||
| 131 | R | 49.8 | Very low | 62 | Low | 300 Ų | 300 | 157.4 Ų | 157.4 | 100% | 1.132 | 71% | 0.712 | S | S | * | * | trans | -102.1 | 0 | 170.5 | -87.7 | -169.9 | -174.3 | -164.1 | 2.2 | 110.9 |
Retrieved 131 of 131 residues in 388.5 ms
(Link to these results)