| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.1 | Very low | 42.3 | Very low | 241 Ų | 241 | 130 Ų | 130 | 100% | 1.187 | 72% | 0.715 | S | S | * | * | 0 | 59.4 | 0 | -72.2 | 170.7 | 62.9 | 0 | 0 | 111.6 | |||||
| 2 | V | 44.8 | Very low | 41.6 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 78% | 0.782 | 72% | 0.717 | S | S | * | * | trans | -121.1 | 8.6 | -178.9 | -173.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 3 | V | 40.6 | Very low | 41.2 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 82% | 0.824 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -91.5 | -0.9 | -172.2 | -177 | 0 | 0 | 0 | 0 | 114 | ||
| 4 | S | 51.2 | Low | 40.8 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -106.6 | -1.9 | -170.8 | -136.5 | 0 | 0 | 0 | 0 | 117.1 | ||
| 5 | I | 48.7 | Very low | 40.6 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 63% | 0.631 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -89.3 | -30.6 | 179.6 | -62 | 175.4 | 0 | 0 | 0 | 112 | C7 L8 F9 | I5-C7 PolarHBondContact O-N 3.39Å; I5-L8 PolarHBondContact O-N 3.46Å; I5-F9 HydrophobicContact CG2-CD2 4.13Å; I5-F9 HydrophobicContact CG2-CE2 4.06Å |
| 6 | L | 44.2 | Very low | 41.1 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 71% | 0.712 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -69.1 | -31.3 | -177.5 | -93.2 | 140.7 | 0 | 0 | 0 | 113.7 | L8 V10 | L6-L8 VanDerWaalsContact C-N 3.35Å; L6-L8 PolarHBondContact O-N 3.45Å; L6-V10 WeakPolarHBondContact O-CG2 3.44Å; L6-V10 PolarHBondContact O-N 3.41Å |
| 7 | C | 43.7 | Very low | 41.8 | Very low | 85 Ų | 85 | 124.1 Ų | 124.1 | 57% | 0.574 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70.4 | -28.1 | 177.7 | -75.2 | 0 | 0 | 0 | 0 | 113.6 | I5 L11 | I5-C7 PolarHBondContact O-N 3.39Å; C7-L11 WeakPolarHBondContact O-CG 3.45Å; C7-L11 PolarHBondContact O-N 3.36Å |
| 8 | L | 41.2 | Very low | 43.2 | Very low | 115 Ų | 115 | 117.9 Ų | 117.9 | 60% | 0.602 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.3 | -32.6 | 178.8 | -90.1 | 153.2 | 0 | 0 | 0 | 112.6 | I5 L6 | I5-L8 PolarHBondContact O-N 3.46Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L6-L8 PolarHBondContact O-N 3.45Å |
| 9 | F | 39.5 | Very low | 44.8 | Very low | 150 Ų | 150 | 114.9 Ų | 114.9 | 66% | 0.658 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.7 | -29.1 | 177.2 | -85.8 | -81.7 | 0 | 0 | 0 | 113.4 | I5 | I5-F9 HydrophobicContact CG2-CD2 4.13Å; I5-F9 HydrophobicContact CG2-CE2 4.06Å |
| 10 | V | 37.3 | Very low | 46.6 | Very low | 85 Ų | 85 | 109.4 Ų | 109.4 | 52% | 0.515 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -77.6 | -35.8 | 178.5 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | L6 L12 F14 | L6-V10 WeakPolarHBondContact O-CG2 3.44Å; L6-V10 PolarHBondContact O-N 3.41Å; V10-L12 VanDerWaalsContact C-N 3.35Å; V10-L12 PolarHBondContact O-N 3.46Å; V10-F14 HydrophobicContact CG1-CD2 4.47Å; V10-F14 HydrophobicContact CG1-CE2 4.37Å; V10-F14 WeakPolarHBondContact O-CD2 3.47Å |
| 11 | L | 34 | Very low | 47.8 | Very low | 133 Ų | 133 | 104.6 Ų | 104.6 | 70% | 0.696 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.4 | -21.9 | -177.7 | -73.6 | 167.5 | 0 | 0 | 0 | 114.3 | C7 | C7-L11 WeakPolarHBondContact O-CG 3.45Å; C7-L11 PolarHBondContact O-N 3.36Å |
| 12 | L | 34 | Very low | 49.6 | Very low | 141 Ų | 141 | 95.8 Ų | 95.8 | 74% | 0.738 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -15 | 179.8 | -96.8 | 149.1 | 0 | 0 | 0 | 114.4 | V10 | V10-L12 VanDerWaalsContact C-N 3.35Å; V10-L12 PolarHBondContact O-N 3.46Å |
| 13 | H | 35.6 | Very low | 51.4 | Low | 161 Ų | 161 | 91 Ų | 91 | 75% | 0.745 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -93.1 | -8.8 | 179.7 | -85.6 | 77.1 | 0 | 0 | 0 | 114.9 | ||
| 14 | F | 36.7 | Very low | 53 | Low | 133 Ų | 133 | 85.2 Ų | 85.2 | 58% | 0.583 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -108.8 | -0.3 | -171.9 | -79.8 | -73.8 | 0 | 0 | 0 | 116.4 | V10 I16 | V10-F14 HydrophobicContact CG1-CD2 4.47Å; V10-F14 HydrophobicContact CG1-CE2 4.37Å; V10-F14 WeakPolarHBondContact O-CD2 3.47Å; F14-I16 PolarHBondContact O-N 2.83Å |
| 15 | A | 37 | Very low | 54 | Low | 86 Ų | 86 | 85.3 Ų | 85.3 | 71% | 0.711 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 2.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 16 | I | 49.7 | Very low | 55 | Low | 130 Ų | 130 | 86.9 Ų | 86.9 | 67% | 0.667 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.2 | 21.6 | 177.6 | -30.9 | 172.6 | 0 | 0 | 0 | 112.8 | F14 K276 | F14-I16 PolarHBondContact O-N 2.83Å; I16-K276 PolarHBondContact O-NZ 2.85Å |
| 17 | G | 52.1 | Low | 56.1 | Low | 29 Ų | 29 | 82.4 Ų | 82.4 | 30% | 0.299 | 44% | 0.435 | S | S | . | . | trans | -93.7 | 119.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 18 | G | 67.2 | Low | 57.2 | Low | 13 Ų | 13 | 82.9 Ų | 82.9 | 13% | 0.134 | 44% | 0.437 | C | S | . | . | trans | -73.8 | 172.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L20 D21 D22 D134 | G18-L20 PolarHBondContact O-N 3.06Å; G18-D21 WeakPolarHBondContact O-CB 3.33Å; G18-D21 PolarHBondContact O-N 2.87Å; G18-D22 PolarHBondContact O-N 2.91Å; G18-D134 VanDerWaalsContact C-OD2 3.26Å; G18-D134 VanDerWaalsContact CA-CG 3.49Å; G18-D134 WeakPolarHBondContact CA-OD2 3.29Å | ||
| 19 | E | 74.3 | Confident | 58.3 | Low | 60 Ų | 60 | 84.2 Ų | 84.2 | 28% | 0.28 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | -173.5 | 176.9 | -175.8 | -162 | 0 | 0 | 112.6 | D22 C23 R47 K56 D134 | E19-D22 PolarHBondContact O-N 3.19Å; E19-C23 WeakPolarHBondContact O-CB 3.19Å; E19-C23 PolarHBondContact O-N 3.15Å; E19-R47 IonicContact OE2-NH1 2.67Å; E19-R47 PolarHBondContact OE2-NH1 3.19Å; E19-K56 IonicContact OE1-NZ 2.84Å; E19-K56 PolarHBondContact OE1-NZ 2.91Å; E19-K56 VanDerWaalsContact OE2-CD 3.31Å; E19-K56 WeakPolarHBondContact OE2-CD 3.46Å; E19-K56 IonicContact OE2-NZ 3.15Å; E19-K56 PolarHBondContact OE2-NZ 2.66Å; E19-D134 PolarHBondContact N-OD1 3.24Å; E19-D134 VanDerWaalsContact N-OD1 3.09Å |
| 20 | L | 79.4 | Confident | 59.6 | Low | 4 Ų | 4 | 79.5 Ų | 79.5 | 2% | 0.021 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.2 | -42 | 177.3 | -76.1 | 170.9 | 0 | 0 | 0 | 110.7 | G18 D22 C23 F24 C43 M44 R47 I133 D134 | G18-L20 PolarHBondContact O-N 3.06Å; L20-D22 VanDerWaalsContact C-N 3.33Å; L20-D22 PolarHBondContact O-N 3.38Å; L20-C23 WeakPolarHBondContact O-CB 3.46Å; L20-C23 PolarHBondContact O-N 2.9Å; L20-F24 HydrophobicContact CB-CE2 3.98Å; L20-F24 HydrophobicContact CB-CZ 4.36Å; L20-F24 HydrophobicContact CD2-CZ 4.24Å; L20-F24 WeakPolarHBondContact O-CD2 3.22Å; L20-F24 VanDerWaalsContact O-CG 3.28Å; L20-F24 WeakPolarHBondContact O-CG 3.23Å; L20-F24 PolarHBondContact O-N 3.49Å; L20-C43 HydrophobicContact CD2-CB 4.07Å; L20-C43 WeakPolarHBondContact CD2-O 3.48Å; L20-M44 HydrophobicContact CD1-SD 3.54Å; L20-M44 VanDerWaalsContact CD1-SD 3.54Å; L20-M44 HydrophobicContact CD2-CG 4.45Å; L20-M44 HydrophobicContact CD2-SD 3.67Å; L20-M44 HydrophobicContact CG-SD 4.23Å; L20-R47 HydrophobicContact CD1-CB 4.31Å; L20-R47 HydrophobicContact CD1-CG 4.03Å; L20-R47 HydrophobicContact CD2-CB 3.74Å; L20-R47 HydrophobicContact CD2-CG 4.35Å; L20-R47 HydrophobicContact CG-CB 4.18Å; L20-R47 HydrophobicContact CG-CG 4.26Å; L20-I133 HydrophobicContact CB-CG2 3.83Å; L20-I133 HydrophobicContact CD1-CG1 4.15Å; L20-D134 WeakPolarHBondContact CB-OD1 3.28Å; L20-D134 PolarHBondContact N-OD1 3.26Å |
| 21 | D | 71.8 | Confident | 60.8 | Low | 10 Ų | 10 | 85.3 Ų | 85.3 | 5% | 0.053 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -54.9 | -49.3 | 171.9 | -84.6 | -19.2 | 0 | 0 | 0 | 111.3 | G18 C23 F24 N25 N132 I133 D134 | G18-D21 WeakPolarHBondContact O-CB 3.33Å; G18-D21 PolarHBondContact O-N 2.87Å; D21-C23 VanDerWaalsContact C-N 3.3Å; D21-C23 PolarHBondContact O-N 3.28Å; D21-F24 PolarHBondContact O-N 3.2Å; D21-N25 WeakPolarHBondContact O-CB 3.17Å; D21-N25 PolarHBondContact O-N 3.28Å; D21-N25 PolarHBondContact O-ND2 3.19Å; D21-N132 PolarHBondContact OD2-ND2 3.38Å; D21-I133 VanDerWaalsContact OD1-CG2 3.31Å; D21-I133 WeakPolarHBondContact OD1-CG2 3.44Å; D21-D134 PolarHBondContact N-OD2 2.89Å |
| 22 | D | 78 | Confident | 62.5 | Low | 55 Ų | 55 | 82.7 Ų | 82.7 | 29% | 0.294 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63 | -36 | 177.9 | -83 | -1.9 | 0 | 0 | 0 | 112.4 | G18 E19 L20 R26 | G18-D22 PolarHBondContact O-N 2.91Å; E19-D22 PolarHBondContact O-N 3.19Å; L20-D22 VanDerWaalsContact C-N 3.33Å; L20-D22 PolarHBondContact O-N 3.38Å; D22-R26 WeakPolarHBondContact O-CG 3.49Å |
| 23 | C | 82.6 | Confident | 64.5 | Low | 29 Ų | 29 | 86.7 Ų | 86.7 | 20% | 0.196 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.9 | -58.6 | 171.6 | -165 | 0 | 0 | 0 | 0 | 109.6 | E19 L20 D21 N25 R26 Y39 C43 | E19-C23 WeakPolarHBondContact O-CB 3.19Å; E19-C23 PolarHBondContact O-N 3.15Å; L20-C23 WeakPolarHBondContact O-CB 3.46Å; L20-C23 PolarHBondContact O-N 2.9Å; D21-C23 VanDerWaalsContact C-N 3.3Å; D21-C23 PolarHBondContact O-N 3.28Å; C23-N25 PolarHBondContact O-N 2.9Å; C23-N25 VanDerWaalsContact O-N 3.12Å; C23-R26 WeakPolarHBondContact O-CB 3.41Å; C23-R26 PolarHBondContact O-N 2.89Å; C23-Y39 WeakPolarHBondContact O-CE1 3.07Å; C23-Y39 VanDerWaalsContact O-CZ 3.3Å; C23-Y39 PolarHBondContact O-OH 2.95Å; C23-C43 HydrophobicContact CB-CB 3.73Å; C23-C43 WeakPolarHBondContact CB-SG 3.38Å; C23-C43 WeakPolarHBondContact SG-CB 3.43Å; C23-C43 CovalentContact SG-SG 2.03Å; C23-C43 PolarHBondContact SG-SG 3.12Å |
| 24 | F | 75.7 | Confident | 66.6 | Low | 14 Ų | 14 | 82.4 Ų | 82.4 | 6% | 0.061 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.3 | -34.4 | -177.2 | -57.6 | -38.6 | 0 | 0 | 0 | 113.7 | L20 D21 R26 F27 M40 C43 M44 I133 | L20-F24 HydrophobicContact CB-CE2 3.98Å; L20-F24 HydrophobicContact CB-CZ 4.36Å; L20-F24 HydrophobicContact CD2-CZ 4.24Å; L20-F24 WeakPolarHBondContact O-CD2 3.22Å; L20-F24 VanDerWaalsContact O-CG 3.28Å; L20-F24 WeakPolarHBondContact O-CG 3.23Å; L20-F24 PolarHBondContact O-N 3.49Å; D21-F24 PolarHBondContact O-N 3.2Å; F24-R26 PolarHBondContact O-N 2.89Å; F24-F27 VanDerWaalsContact O-CB 3.3Å; F24-F27 WeakPolarHBondContact O-CB 3.48Å; F24-F27 PolarHBondContact O-N 2.93Å; F24-F27 VanDerWaalsContact O-N 3.11Å; F24-M40 HydrophobicContact CD1-CB 4.08Å; F24-M40 HydrophobicContact CD1-CG 3.67Å; F24-M40 HydrophobicContact CD1-SD 4.39Å; F24-M40 VanDerWaalsContact CE1-CA 3.43Å; F24-M40 HydrophobicContact CE1-CB 3.65Å; F24-M40 HydrophobicContact CE1-CG 3.73Å; F24-M40 WeakPolarHBondContact CE1-O 3.44Å; F24-M40 HydrophobicContact CE1-SD 4.35Å; F24-M40 HydrophobicContact CG-CG 4.39Å; F24-M40 HydrophobicContact CZ-CB 4.4Å; F24-M40 HydrophobicContact CZ-CG 4.49Å; F24-C43 HydrophobicContact CD1-CB 3.93Å; F24-C43 HydrophobicContact CE1-CB 3.41Å; F24-C43 VanDerWaalsContact CE1-CB 3.41Å; F24-C43 HydrophobicContact CZ-CB 4.16Å; F24-M44 HydrophobicContact CZ-CG 4.05Å; F24-M44 HydrophobicContact CZ-SD 4.07Å; F24-I133 HydrophobicContact CD2-CD1 4.42Å; F24-I133 HydrophobicContact CD2-CG2 4.01Å; F24-I133 HydrophobicContact CE2-CB 4.06Å; F24-I133 HydrophobicContact CE2-CD1 3.31Å; F24-I133 HydrophobicContact CE2-CG1 3.65Å; F24-I133 HydrophobicContact CE2-CG2 3.55Å; F24-I133 HydrophobicContact CZ-CD1 3.62Å; F24-I133 HydrophobicContact CZ-CG1 4.15Å |
| 25 | N | 70.5 | Confident | 68.8 | Low | 100 Ų | 100 | 79.1 Ų | 79.1 | 54% | 0.535 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.4 | -17.2 | 178 | -72.4 | -36 | 0 | 0 | 0 | 114 | D21 C23 F27 P28 | D21-N25 WeakPolarHBondContact O-CB 3.17Å; D21-N25 PolarHBondContact O-N 3.28Å; D21-N25 PolarHBondContact O-ND2 3.19Å; C23-N25 PolarHBondContact O-N 2.9Å; C23-N25 VanDerWaalsContact O-N 3.12Å; N25-F27 PolarHBondContact O-N 2.96Å; N25-P28 WeakPolarHBondContact O-CD 3.48Å |
| 26 | R | 70.8 | Confident | 71 | Confident | 156 Ų | 156 | 76.4 Ų | 76.4 | 59% | 0.589 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -5.7 | 172.8 | -66.3 | 169.8 | -173.6 | -164.6 | 2.1 | 113.3 | D22 C23 F24 P28 I29 Y39 | D22-R26 WeakPolarHBondContact O-CG 3.49Å; C23-R26 WeakPolarHBondContact O-CB 3.41Å; C23-R26 PolarHBondContact O-N 2.89Å; F24-R26 PolarHBondContact O-N 2.89Å; R26-P28 VanDerWaalsContact C-CD 3.48Å; R26-I29 VanDerWaalsContact O-CB 3.29Å; R26-I29 WeakPolarHBondContact O-CB 3.17Å; R26-I29 PolarHBondContact O-N 3.07Å; R26-Y39 WeakPolarHBondContact CB-OH 3.18Å |
| 27 | F | 68 | Low | 72.8 | Confident | 41 Ų | 41 | 70.3 Ų | 70.3 | 18% | 0.18 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -51.1 | -45.5 | -177.2 | 178.3 | -103.7 | 0 | 0 | 0 | 114.9 | F24 N25 I29 I30 R31 W36 Y39 | F24-F27 VanDerWaalsContact O-CB 3.3Å; F24-F27 WeakPolarHBondContact O-CB 3.48Å; F24-F27 PolarHBondContact O-N 2.93Å; F24-F27 VanDerWaalsContact O-N 3.11Å; N25-F27 PolarHBondContact O-N 2.96Å; F27-I29 PolarHBondContact O-N 2.84Å; F27-I29 VanDerWaalsContact O-N 3.08Å; F27-I30 HydrophobicContact CD2-CD1 4.38Å; F27-I30 HydrophobicContact CD2-CG1 4.39Å; F27-I30 VanDerWaalsContact O-CG1 3.28Å; F27-I30 WeakPolarHBondContact O-CG1 3.47Å; F27-I30 PolarHBondContact O-N 2.73Å; F27-I30 VanDerWaalsContact O-N 3.16Å; F27-R31 PolarHBondContact O-N 3.36Å; F27-W36 AromaticContact CD1-CD1 3.63Å; F27-W36 HydrophobicContact CD1-CG 4.47Å; F27-W36 HydrophobicContact CD2-CB 4.24Å; F27-W36 AromaticContact CD2-CD1 3.92Å; F27-W36 HydrophobicContact CD2-CG 4.44Å; F27-W36 HydrophobicContact CE1-CB 4.02Å; F27-W36 AromaticContact CE1-CD1 3.95Å; F27-W36 HydrophobicContact CE1-CG 4.4Å; F27-W36 HydrophobicContact CE2-CB 3.74Å; F27-W36 HydrophobicContact CE2-CG 4.4Å; F27-W36 AromaticContact CG-CD1 3.6Å; F27-W36 HydrophobicContact CG-CG 4.48Å; F27-W36 HydrophobicContact CZ-CB 3.61Å; F27-W36 HydrophobicContact CZ-CG 4.37Å; F27-Y39 HydrophobicContact CB-CD1 3.88Å; F27-Y39 HydrophobicContact CB-CE1 4Å; F27-Y39 AromaticContact CD2-CD1 3.83Å; F27-Y39 HydrophobicContact CD2-CD1 3.83Å; F27-Y39 HydrophobicContact CD2-CG 4.16Å; F27-Y39 HydrophobicContact CG-CD1 4.34Å |
| 28 | P | 66 | Low | 74.4 | Confident | 95 Ų | 95 | 73.5 Ų | 73.5 | 62% | 0.617 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -56.7 | -27.8 | 178.4 | -25.1 | 35.6 | 0 | 0 | 0 | 113.8 | N25 R26 | N25-P28 WeakPolarHBondContact O-CD 3.48Å; R26-P28 VanDerWaalsContact C-CD 3.48Å |
| 29 | I | 64.5 | Low | 75.4 | Confident | 144 Ų | 144 | 74 Ų | 74 | 74% | 0.738 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -76.4 | -32.9 | -177 | -56.1 | 173.6 | 0 | 0 | 0 | 111.6 | R26 F27 | R26-I29 VanDerWaalsContact O-CB 3.29Å; R26-I29 WeakPolarHBondContact O-CB 3.17Å; R26-I29 PolarHBondContact O-N 3.07Å; F27-I29 PolarHBondContact O-N 2.84Å; F27-I29 VanDerWaalsContact O-N 3.08Å |
| 30 | I | 65.6 | Low | 76 | Confident | 50 Ų | 50 | 71.1 Ų | 71.1 | 26% | 0.256 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -100.6 | 5.6 | -177.4 | 58 | 162.1 | 0 | 0 | 0 | 113.6 | F27 G32 R33 Y39 | F27-I30 HydrophobicContact CD2-CD1 4.38Å; F27-I30 HydrophobicContact CD2-CG1 4.39Å; F27-I30 VanDerWaalsContact O-CG1 3.28Å; F27-I30 WeakPolarHBondContact O-CG1 3.47Å; F27-I30 PolarHBondContact O-N 2.73Å; F27-I30 VanDerWaalsContact O-N 3.16Å; I30-G32 PolarHBondContact O-N 2.67Å; I30-G32 VanDerWaalsContact O-N 3.11Å; I30-R33 PolarHBondContact O-N 2.67Å; I30-Y39 HydrophobicContact CD1-CD1 3.88Å; I30-Y39 HydrophobicContact CD1-CD2 3.07Å; I30-Y39 HydrophobicContact CD1-CE1 3.93Å; I30-Y39 HydrophobicContact CD1-CE2 3.2Å; I30-Y39 HydrophobicContact CD1-CG 3.42Å; I30-Y39 VanDerWaalsContact CD1-CG 3.42Å; I30-Y39 HydrophobicContact CG1-CE2 4.5Å |
| 31 | R | 62.5 | Low | 76.5 | Confident | 207 Ų | 207 | 72.1 Ų | 72.1 | 78% | 0.781 | 36% | 0.357 | S | S | * | . | B | Isolated β-bridge | trans | -50.7 | 118.5 | -178.3 | -170 | 177.8 | -177.6 | 175 | 0.7 | 109.8 | F27 | F27-R31 PolarHBondContact O-N 3.36Å |
| 32 | G | 71.1 | Confident | 77.4 | Confident | 78 Ų | 78 | 76.6 Ų | 76.6 | 80% | 0.804 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.3 | -17.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | I30 | I30-G32 PolarHBondContact O-N 2.67Å; I30-G32 VanDerWaalsContact O-N 3.11Å |
| 33 | R | 75.5 | Confident | 78 | Confident | 226 Ų | 226 | 74.1 Ų | 74.1 | 85% | 0.853 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -37.4 | 175.6 | -66.1 | -175.2 | -177.7 | -177.8 | 0.9 | 114.1 | I30 | I30-R33 PolarHBondContact O-N 2.67Š|
| 34 | L | 80.2 | Confident | 78.5 | Confident | 71 Ų | 71 | 72.7 Ų | 72.7 | 37% | 0.372 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -134.1 | 151.7 | -179.2 | -66 | 173.6 | 0 | 0 | 0 | 109.5 | Q38 Y39 | L34-Q38 HydrophobicContact CB-CB 4.11Å; L34-Q38 HydrophobicContact CD2-CB 4.12Å; L34-Y39 HydrophobicContact CD1-CD2 4.33Å |
| 35 | T | 81.8 | Confident | 79.2 | Confident | 63 Ų | 63 | 75.7 Ų | 75.7 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | trans | -65.9 | 161.1 | 161.5 | 68.9 | 0 | 0 | 0 | 0 | 109.7 | E37 Q38 Y39 | T35-E37 VanDerWaalsContact C-N 3.26Å; T35-E37 PolarHBondContact O-N 2.97Å; T35-Q38 PolarHBondContact O-N 3.27Å; T35-Q38 WeakPolarHBondContact OG1-CB 3.45Å; T35-Q38 VanDerWaalsContact OG1-CG 3.24Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.43Å; T35-Q38 PolarHBondContact OG1-N 3.33Å; T35-Q38 PolarHBondContact OG1-OE1 3.23Å; T35-Y39 WeakPolarHBondContact O-CB 3Å; T35-Y39 PolarHBondContact O-N 2.79Å | ||
| 36 | W | 84.6 | Confident | 80.2 | Confident | 29 Ų | 29 | 74.6 Ų | 74.6 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.9 | -41.4 | 176.9 | -179.7 | 87.3 | 0 | 0 | 0 | 111.6 | F27 Y39 M40 R262 L275 | F27-W36 AromaticContact CD1-CD1 3.63Å; F27-W36 HydrophobicContact CD1-CG 4.47Å; F27-W36 HydrophobicContact CD2-CB 4.24Å; F27-W36 AromaticContact CD2-CD1 3.92Å; F27-W36 HydrophobicContact CD2-CG 4.44Å; F27-W36 HydrophobicContact CE1-CB 4.02Å; F27-W36 AromaticContact CE1-CD1 3.95Å; F27-W36 HydrophobicContact CE1-CG 4.4Å; F27-W36 HydrophobicContact CE2-CB 3.74Å; F27-W36 HydrophobicContact CE2-CG 4.4Å; F27-W36 AromaticContact CG-CD1 3.6Å; F27-W36 HydrophobicContact CG-CG 4.48Å; F27-W36 HydrophobicContact CZ-CB 3.61Å; F27-W36 HydrophobicContact CZ-CG 4.37Å; W36-Y39 PolarHBondContact O-N 3.49Å; W36-M40 HydrophobicContact CD2-CE 4.33Å; W36-M40 HydrophobicContact CD2-CG 4.04Å; W36-M40 HydrophobicContact CD2-SD 4.15Å; W36-M40 HydrophobicContact CE3-CE 3.6Å; W36-M40 HydrophobicContact CE3-CG 4.17Å; W36-M40 HydrophobicContact CE3-SD 4.01Å; W36-M40 HydrophobicContact CH2-CE 3.1Å; W36-M40 HydrophobicContact CH2-CG 4.22Å; W36-M40 HydrophobicContact CH2-SD 3.09Å; W36-M40 WeakPolarHBondContact CH2-SD 3.47Å; W36-M40 HydrophobicContact CZ2-CE 3.85Å; W36-M40 HydrophobicContact CZ2-CG 4Å; W36-M40 HydrophobicContact CZ2-SD 3.16Å; W36-M40 WeakPolarHBondContact CZ2-SD 3.48Å; W36-M40 HydrophobicContact CZ3-CE 2.94Å; W36-M40 HydrophobicContact CZ3-CG 4.3Å; W36-M40 HydrophobicContact CZ3-SD 3.54Å; W36-M40 VanDerWaalsContact CZ3-SD 3.54Å; W36-M40 WeakPolarHBondContact O-CG 3.13Å; W36-M40 PolarHBondContact O-N 3.34Å; W36-R262 HydrophobicContact CE3-CG 4.44Å; W36-R262 HydrophobicContact CH2-CB 4.3Å; W36-R262 HydrophobicContact CH2-CG 4.2Å; W36-R262 HydrophobicContact CZ3-CB 4.06Å; W36-R262 HydrophobicContact CZ3-CG 4.16Å; W36-L275 HydrophobicContact CZ2-CD1 4.45Å |
| 37 | E | 86.9 | Confident | 81.1 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 178.1 | -67.8 | 73.7 | -153.8 | 0 | 0 | 111.7 | T35 Y39 M40 L41 V251 V255 K259 R262 | T35-E37 VanDerWaalsContact C-N 3.26Å; T35-E37 PolarHBondContact O-N 2.97Å; E37-Y39 VanDerWaalsContact C-N 3.31Å; E37-Y39 PolarHBondContact O-N 3Å; E37-M40 PolarHBondContact O-N 3.09Å; E37-L41 PolarHBondContact O-N 3Å; E37-V251 HydrophobicContact CB-CB 4.47Å; E37-V251 HydrophobicContact CB-CG1 3.78Å; E37-V251 HydrophobicContact CB-CG2 3.77Å; E37-V251 HydrophobicContact CG-CG2 3.82Å; E37-V251 WeakPolarHBondContact O-CG1 3.25Å; E37-V255 HydrophobicContact CB-CB 4.29Å; E37-V255 HydrophobicContact CB-CG1 4.12Å; E37-V255 HydrophobicContact CG-CB 4.25Å; E37-K259 HydrophobicContact CG-CB 4.26Å; E37-K259 WeakPolarHBondContact OE1-CA 3.36Å; E37-K259 WeakPolarHBondContact OE1-CB 3.45Å; E37-R262 IonicContact OE1-CZ 2.65Å; E37-R262 IonicContact OE1-NE 3.6Å; E37-R262 PolarHBondContact OE1-NE 3.24Å; E37-R262 IonicContact OE1-NH2 3.5Å; E37-R262 PolarHBondContact OE1-NH2 3.4Å; E37-R262 IonicContact OE2-NH2 3.55Å; E37-R262 PolarHBondContact OE2-NH2 2.55Å |
| 38 | Q | 84.7 | Confident | 82.3 | Confident | 95 Ų | 95 | 67.4 Ų | 67.4 | 44% | 0.444 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 176.1 | -73.7 | 169.3 | -29.9 | 0 | 0 | 111.8 | L34 T35 M40 L41 E42 | L34-Q38 HydrophobicContact CB-CB 4.11Å; L34-Q38 HydrophobicContact CD2-CB 4.12Å; T35-Q38 PolarHBondContact O-N 3.27Å; T35-Q38 WeakPolarHBondContact OG1-CB 3.45Å; T35-Q38 VanDerWaalsContact OG1-CG 3.24Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.43Å; T35-Q38 PolarHBondContact OG1-N 3.33Å; T35-Q38 PolarHBondContact OG1-OE1 3.23Å; Q38-M40 VanDerWaalsContact C-N 3.33Å; Q38-L41 PolarHBondContact O-N 2.82Å; Q38-E42 PolarHBondContact O-N 3.17Å |
| 39 | Y | 88.1 | Confident | 83.5 | Confident | 24 Ų | 24 | 70.2 Ų | 70.2 | 9% | 0.094 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 176.6 | 179.7 | -121.9 | 0 | 0 | 0 | 112 | C23 R26 F27 I30 L34 T35 W36 E37 L41 E42 C43 | C23-Y39 WeakPolarHBondContact O-CE1 3.07Å; C23-Y39 VanDerWaalsContact O-CZ 3.3Å; C23-Y39 PolarHBondContact O-OH 2.95Å; R26-Y39 WeakPolarHBondContact CB-OH 3.18Å; F27-Y39 HydrophobicContact CB-CD1 3.88Å; F27-Y39 HydrophobicContact CB-CE1 4Å; F27-Y39 AromaticContact CD2-CD1 3.83Å; F27-Y39 HydrophobicContact CD2-CD1 3.83Å; F27-Y39 HydrophobicContact CD2-CG 4.16Å; F27-Y39 HydrophobicContact CG-CD1 4.34Å; I30-Y39 HydrophobicContact CD1-CD1 3.88Å; I30-Y39 HydrophobicContact CD1-CD2 3.07Å; I30-Y39 HydrophobicContact CD1-CE1 3.93Å; I30-Y39 HydrophobicContact CD1-CE2 3.2Å; I30-Y39 HydrophobicContact CD1-CG 3.42Å; I30-Y39 VanDerWaalsContact CD1-CG 3.42Å; I30-Y39 HydrophobicContact CG1-CE2 4.5Å; L34-Y39 HydrophobicContact CD1-CD2 4.33Å; T35-Y39 WeakPolarHBondContact O-CB 3Å; T35-Y39 PolarHBondContact O-N 2.79Å; W36-Y39 PolarHBondContact O-N 3.49Å; E37-Y39 VanDerWaalsContact C-N 3.31Å; E37-Y39 PolarHBondContact O-N 3Å; Y39-L41 VanDerWaalsContact C-N 3.33Å; Y39-L41 PolarHBondContact O-N 2.86Å; Y39-E42 PolarHBondContact O-N 3.16Å; Y39-C43 VanDerWaalsContact CZ-SG 3.59Å; Y39-C43 PolarHBondContact O-N 2.67Å; Y39-C43 PolarHBondContact O-SG 3.46Å |
| 40 | M | 87.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 178.2 | -71.3 | -155 | -53.5 | 0 | 0 | 112 | F24 W36 E37 Q38 E42 C43 M44 V141 L275 | F24-M40 HydrophobicContact CD1-CB 4.08Å; F24-M40 HydrophobicContact CD1-CG 3.67Å; F24-M40 HydrophobicContact CD1-SD 4.39Å; F24-M40 VanDerWaalsContact CE1-CA 3.43Å; F24-M40 HydrophobicContact CE1-CB 3.65Å; F24-M40 HydrophobicContact CE1-CG 3.73Å; F24-M40 WeakPolarHBondContact CE1-O 3.44Å; F24-M40 HydrophobicContact CE1-SD 4.35Å; F24-M40 HydrophobicContact CG-CG 4.39Å; F24-M40 HydrophobicContact CZ-CB 4.4Å; F24-M40 HydrophobicContact CZ-CG 4.49Å; W36-M40 HydrophobicContact CD2-CE 4.33Å; W36-M40 HydrophobicContact CD2-CG 4.04Å; W36-M40 HydrophobicContact CD2-SD 4.15Å; W36-M40 HydrophobicContact CE3-CE 3.6Å; W36-M40 HydrophobicContact CE3-CG 4.17Å; W36-M40 HydrophobicContact CE3-SD 4.01Å; W36-M40 HydrophobicContact CH2-CE 3.1Å; W36-M40 HydrophobicContact CH2-CG 4.22Å; W36-M40 HydrophobicContact CH2-SD 3.09Å; W36-M40 WeakPolarHBondContact CH2-SD 3.47Å; W36-M40 HydrophobicContact CZ2-CE 3.85Å; W36-M40 HydrophobicContact CZ2-CG 4Å; W36-M40 HydrophobicContact CZ2-SD 3.16Å; W36-M40 WeakPolarHBondContact CZ2-SD 3.48Å; W36-M40 HydrophobicContact CZ3-CE 2.94Å; W36-M40 HydrophobicContact CZ3-CG 4.3Å; W36-M40 HydrophobicContact CZ3-SD 3.54Å; W36-M40 VanDerWaalsContact CZ3-SD 3.54Å; W36-M40 WeakPolarHBondContact O-CG 3.13Å; W36-M40 PolarHBondContact O-N 3.34Å; E37-M40 PolarHBondContact O-N 3.09Å; Q38-M40 VanDerWaalsContact C-N 3.33Å; M40-E42 PolarHBondContact O-N 3.15Å; M40-C43 PolarHBondContact O-N 3.2Å; M40-M44 VanDerWaalsContact O-CG 3.29Å; M40-M44 WeakPolarHBondContact O-CG 3.42Å; M40-M44 PolarHBondContact O-N 2.97Å; M40-M44 VanDerWaalsContact O-N 3.08Å; M40-V141 HydrophobicContact CB-CG1 3.53Å; M40-V141 HydrophobicContact CE-CG1 3.56Å; M40-V141 HydrophobicContact SD-CG1 4.42Å; M40-L275 HydrophobicContact SD-CD1 4.46Å |
| 41 | L | 90.5 | Very high | 85.8 | Confident | 24 Ų | 24 | 62.6 Ų | 62.6 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 176.3 | -177.6 | 61.3 | 0 | 0 | 0 | 111.5 | E37 Q38 Y39 M44 K45 V141 V251 C252 | E37-L41 PolarHBondContact O-N 3Å; Q38-L41 PolarHBondContact O-N 2.82Å; Y39-L41 VanDerWaalsContact C-N 3.33Å; Y39-L41 PolarHBondContact O-N 2.86Å; L41-M44 PolarHBondContact O-N 3.23Å; L41-K45 HydrophobicContact CG-CD 4.44Å; L41-K45 WeakPolarHBondContact O-CG 3.34Å; L41-K45 PolarHBondContact O-N 2.92Å; L41-V141 HydrophobicContact CD1-CG2 4.48Å; L41-V251 HydrophobicContact CB-CG1 4.19Å; L41-V251 HydrophobicContact CD2-CG1 4.49Å; L41-C252 HydrophobicContact CD1-CB 4.11Å; L41-C252 HydrophobicContact CD2-CB 4.3Å |
| 42 | E | 90.5 | Very high | 87.1 | Confident | 104 Ų | 104 | 58.4 Ų | 58.4 | 49% | 0.486 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 177.9 | -168.8 | 57.2 | -149.5 | 0 | 0 | 112.6 | Q38 Y39 M40 M44 K45 N46 | Q38-E42 PolarHBondContact O-N 3.17Å; Y39-E42 PolarHBondContact O-N 3.16Å; M40-E42 PolarHBondContact O-N 3.15Å; E42-M44 VanDerWaalsContact C-N 3.25Å; E42-M44 PolarHBondContact O-N 3.06Å; E42-K45 PolarHBondContact O-N 3.16Å; E42-N46 WeakPolarHBondContact O-CB 3.44Å; E42-N46 PolarHBondContact O-N 2.94Å |
| 43 | C | 90.9 | Very high | 88.1 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.02 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.2 | -40.8 | 173.5 | -65.3 | 0 | 0 | 0 | 0 | 111.6 | L20 C23 F24 Y39 M40 N46 R47 | L20-C43 HydrophobicContact CD2-CB 4.07Å; L20-C43 WeakPolarHBondContact CD2-O 3.48Å; C23-C43 HydrophobicContact CB-CB 3.73Å; C23-C43 WeakPolarHBondContact CB-SG 3.38Å; C23-C43 WeakPolarHBondContact SG-CB 3.43Å; C23-C43 CovalentContact SG-SG 2.03Å; C23-C43 PolarHBondContact SG-SG 3.12Å; F24-C43 HydrophobicContact CD1-CB 3.93Å; F24-C43 HydrophobicContact CE1-CB 3.41Å; F24-C43 VanDerWaalsContact CE1-CB 3.41Å; F24-C43 HydrophobicContact CZ-CB 4.16Å; Y39-C43 VanDerWaalsContact CZ-SG 3.59Å; Y39-C43 PolarHBondContact O-N 2.67Å; Y39-C43 PolarHBondContact O-SG 3.46Å; M40-C43 PolarHBondContact O-N 3.2Å; C43-N46 PolarHBondContact O-N 2.81Å; C43-R47 PolarHBondContact O-N 3.03Å |
| 44 | M | 91.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.8 | -38.7 | 178.9 | -67.4 | -66.9 | -67.8 | 0 | 0 | 112.2 | L20 F24 M40 L41 E42 R47 Q48 I133 P137 V141 T315 F317 | L20-M44 HydrophobicContact CD1-SD 3.54Å; L20-M44 VanDerWaalsContact CD1-SD 3.54Å; L20-M44 HydrophobicContact CD2-CG 4.45Å; L20-M44 HydrophobicContact CD2-SD 3.67Å; L20-M44 HydrophobicContact CG-SD 4.23Å; F24-M44 HydrophobicContact CZ-CG 4.05Å; F24-M44 HydrophobicContact CZ-SD 4.07Å; M40-M44 VanDerWaalsContact O-CG 3.29Å; M40-M44 WeakPolarHBondContact O-CG 3.42Å; M40-M44 PolarHBondContact O-N 2.97Å; M40-M44 VanDerWaalsContact O-N 3.08Å; L41-M44 PolarHBondContact O-N 3.23Å; E42-M44 VanDerWaalsContact C-N 3.25Å; E42-M44 PolarHBondContact O-N 3.06Å; M44-R47 PolarHBondContact O-N 3.09Å; M44-Q48 PolarHBondContact O-N 3.44Å; M44-I133 HydrophobicContact SD-CD1 4.05Å; M44-I133 HydrophobicContact SD-CG1 4Å; M44-P137 HydrophobicContact CE-CB 3.61Å; M44-P137 WeakPolarHBondContact CE-O 3.46Å; M44-V141 HydrophobicContact CB-CG2 4.05Å; M44-V141 HydrophobicContact CE-CG2 4.3Å; M44-V141 HydrophobicContact CG-CG2 3.64Å; M44-T315 HydrophobicContact CB-CG2 3.9Å; M44-F317 HydrophobicContact CE-CD2 3.75Å; M44-F317 HydrophobicContact CE-CE2 4.36Å; M44-F317 HydrophobicContact CE-CG 4.45Å |
| 45 | K | 92.2 | Very high | 88.8 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 172.4 | -76.7 | -179.8 | 174.8 | -174.3 | 0 | 112 | L41 E42 R47 Q48 Y49 T315 | L41-K45 HydrophobicContact CG-CD 4.44Å; L41-K45 WeakPolarHBondContact O-CG 3.34Å; L41-K45 PolarHBondContact O-N 2.92Å; E42-K45 PolarHBondContact O-N 3.16Å; K45-R47 VanDerWaalsContact C-N 3.34Å; K45-R47 PolarHBondContact O-N 3.06Å; K45-Q48 WeakPolarHBondContact O-CB 3.1Å; K45-Q48 PolarHBondContact O-N 3.15Å; K45-Y49 PolarHBondContact O-N 2.89Å; K45-T315 HydrophobicContact CG-CG2 4.12Å |
| 46 | N | 90.6 | Very high | 88.7 | Confident | 77 Ų | 77 | 53.4 Ų | 53.4 | 41% | 0.412 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 174.8 | -176.2 | 69.9 | 0 | 0 | 0 | 111.5 | E42 C43 Q48 Y49 N50 | E42-N46 WeakPolarHBondContact O-CB 3.44Å; E42-N46 PolarHBondContact O-N 2.94Å; C43-N46 PolarHBondContact O-N 2.81Å; N46-Q48 PolarHBondContact O-N 3.26Å; N46-Y49 WeakPolarHBondContact O-CB 3.43Å; N46-Y49 PolarHBondContact O-N 2.67Å; N46-N50 PolarHBondContact O-N 3.18Å; N46-N50 PolarHBondContact O-ND2 3.18Å |
| 47 | R | 90.3 | Very high | 88.7 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 5% | 0.049 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.1 | -47.7 | 173.2 | 178.8 | 66.2 | 179.3 | -163.3 | -0.6 | 111.4 | E19 L20 C43 M44 K45 Y49 N50 V51 E57 F317 | E19-R47 IonicContact OE2-NH1 2.67Å; E19-R47 PolarHBondContact OE2-NH1 3.19Å; L20-R47 HydrophobicContact CD1-CB 4.31Å; L20-R47 HydrophobicContact CD1-CG 4.03Å; L20-R47 HydrophobicContact CD2-CB 3.74Å; L20-R47 HydrophobicContact CD2-CG 4.35Å; L20-R47 HydrophobicContact CG-CB 4.18Å; L20-R47 HydrophobicContact CG-CG 4.26Å; C43-R47 PolarHBondContact O-N 3.03Å; M44-R47 PolarHBondContact O-N 3.09Å; K45-R47 VanDerWaalsContact C-N 3.34Å; K45-R47 PolarHBondContact O-N 3.06Å; R47-Y49 VanDerWaalsContact C-N 3.31Å; R47-Y49 PolarHBondContact O-N 3.02Å; R47-N50 PolarHBondContact O-N 3.2Å; R47-V51 WeakPolarHBondContact O-CG2 3.37Å; R47-V51 PolarHBondContact O-N 2.87Å; R47-V51 VanDerWaalsContact O-N 3.13Å; R47-E57 PolarHBondContact NH2-O 2.69Å; R47-F317 HydrophobicContact CB-CE2 4.43Å; R47-F317 HydrophobicContact CG-CE2 4.11Å; R47-F317 HydrophobicContact CG-CZ 3.94Å |
| 48 | Q | 92.3 | Very high | 88.3 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 16% | 0.159 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.4 | -42.2 | 176.3 | 168.6 | 178.3 | -51.1 | 0 | 0 | 112.4 | M44 K45 N46 N50 V51 L52 T315 I316 F317 | M44-Q48 PolarHBondContact O-N 3.44Å; K45-Q48 WeakPolarHBondContact O-CB 3.1Å; K45-Q48 PolarHBondContact O-N 3.15Å; N46-Q48 PolarHBondContact O-N 3.26Å; Q48-N50 VanDerWaalsContact C-N 3.33Å; Q48-N50 PolarHBondContact O-N 2.93Å; Q48-V51 WeakPolarHBondContact O-CB 3.49Å; Q48-V51 PolarHBondContact O-N 3Å; Q48-V51 VanDerWaalsContact O-N 3.11Å; Q48-L52 HydrophobicContact CG-CD1 3.74Å; Q48-L52 HydrophobicContact CG-CG 4.11Å; Q48-L52 WeakPolarHBondContact O-CG 3.38Å; Q48-L52 PolarHBondContact O-N 3.45Å; Q48-T315 VanDerWaalsContact OE1-C 3.29Å; Q48-I316 HydrophobicContact CG-CD1 4.22Å; Q48-I316 HydrophobicContact CG-CG1 4.1Å; Q48-I316 HydrophobicContact CG-CG2 4.32Å; Q48-F317 HydrophobicContact CB-CE2 4.04Å; Q48-F317 HydrophobicContact CB-CZ 4.49Å |
| 49 | Y | 91.4 | Very high | 88.2 | Confident | 153 Ų | 153 | 58 Ų | 58 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57 | -48.5 | 178.5 | 176.4 | -95.4 | 0 | 0 | 0 | 111.2 | K45 N46 R47 V51 L52 S53 | K45-Y49 PolarHBondContact O-N 2.89Å; N46-Y49 WeakPolarHBondContact O-CB 3.43Å; N46-Y49 PolarHBondContact O-N 2.67Å; R47-Y49 VanDerWaalsContact C-N 3.31Å; R47-Y49 PolarHBondContact O-N 3.02Å; Y49-V51 PolarHBondContact O-N 2.91Å; Y49-L52 PolarHBondContact O-N 3.45Å; Y49-S53 PolarHBondContact O-N 3.27Å; Y49-S53 PolarHBondContact O-OG 2.96Å |
| 50 | N | 89.5 | Confident | 88 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 9% | 0.086 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.4 | -28.4 | 177.7 | -62.2 | -16.7 | 0 | 0 | 0 | 112.8 | N46 R47 Q48 S53 E55 K56 | N46-N50 PolarHBondContact O-N 3.18Å; N46-N50 PolarHBondContact O-ND2 3.18Å; R47-N50 PolarHBondContact O-N 3.2Å; Q48-N50 VanDerWaalsContact C-N 3.33Å; Q48-N50 PolarHBondContact O-N 2.93Å; N50-S53 WeakPolarHBondContact CA-OG 3.43Å; N50-S53 PolarHBondContact O-OG 3.06Å; N50-E55 PolarHBondContact O-N 2.74Å; N50-K56 HydrophobicContact CB-CB 4.22Å; N50-K56 HydrophobicContact CB-CD 4.02Å; N50-K56 HydrophobicContact CB-CG 4.1Å; N50-K56 PolarHBondContact O-N 3.09Å |
| 51 | V | 89.1 | Confident | 87.9 | Confident | 19 Ų | 19 | 65.5 Ų | 65.5 | 12% | 0.115 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75.8 | -44.3 | 177.5 | 171.2 | 0 | 0 | 0 | 0 | 111 | R47 Q48 Y49 S53 G54 K56 E57 P58 I316 F317 | R47-V51 WeakPolarHBondContact O-CG2 3.37Å; R47-V51 PolarHBondContact O-N 2.87Å; R47-V51 VanDerWaalsContact O-N 3.13Å; Q48-V51 WeakPolarHBondContact O-CB 3.49Å; Q48-V51 PolarHBondContact O-N 3Å; Q48-V51 VanDerWaalsContact O-N 3.11Å; Y49-V51 PolarHBondContact O-N 2.91Å; V51-S53 VanDerWaalsContact C-N 3.31Å; V51-S53 PolarHBondContact O-N 3.41Å; V51-G54 PolarHBondContact O-N 3.33Å; V51-G54 VanDerWaalsContact O-N 3.14Å; V51-K56 WeakPolarHBondContact CA-O 3.37Å; V51-E57 WeakPolarHBondContact CG2-O 3.31Å; V51-P58 HydrophobicContact CG1-CB 3.75Å; V51-P58 HydrophobicContact CG1-CG 3.56Å; V51-P58 VanDerWaalsContact CG2-CA 3.45Å; V51-P58 HydrophobicContact CG2-CB 4.41Å; V51-I316 HydrophobicContact CG1-CD1 4.29Å; V51-F317 HydrophobicContact CG2-CZ 4.34Å |
| 52 | L | 90.4 | Very high | 87.8 | Confident | 118 Ų | 118 | 66.3 Ų | 66.3 | 62% | 0.618 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71.1 | -26.3 | 178.8 | -66.8 | 176.9 | 0 | 0 | 0 | 112.7 | Q48 Y49 G54 I316 | Q48-L52 HydrophobicContact CG-CD1 3.74Å; Q48-L52 HydrophobicContact CG-CG 4.11Å; Q48-L52 WeakPolarHBondContact O-CG 3.38Å; Q48-L52 PolarHBondContact O-N 3.45Å; Y49-L52 PolarHBondContact O-N 3.45Å; L52-G54 PolarHBondContact O-N 3.45Å; L52-I316 HydrophobicContact CD2-CD1 4.2Å |
| 53 | S | 91.8 | Very high | 87.6 | Confident | 55 Ų | 55 | 64.4 Ų | 64.4 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -8.3 | 171.7 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | Y49 N50 V51 E55 | Y49-S53 PolarHBondContact O-N 3.27Å; Y49-S53 PolarHBondContact O-OG 2.96Å; N50-S53 WeakPolarHBondContact CA-OG 3.43Å; N50-S53 PolarHBondContact O-OG 3.06Å; V51-S53 VanDerWaalsContact C-N 3.31Å; V51-S53 PolarHBondContact O-N 3.41Å; S53-E55 PolarHBondContact O-N 2.88Å; S53-E55 VanDerWaalsContact OG-CG 3.3Å; S53-E55 WeakPolarHBondContact OG-CG 3.44Å |
| 54 | G | 86.6 | Confident | 87.5 | Confident | 65 Ų | 65 | 68.2 Ų | 68.2 | 67% | 0.67 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 8.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V51 L52 K56 | V51-G54 PolarHBondContact O-N 3.33Å; V51-G54 VanDerWaalsContact O-N 3.14Å; L52-G54 PolarHBondContact O-N 3.45Å; G54-K56 VanDerWaalsContact C-N 3.29Å |
| 55 | E | 83.9 | Confident | 87.3 | Confident | 135 Ų | 135 | 70 Ų | 70 | 63% | 0.631 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -72.7 | -25 | 176.4 | -70.4 | 176.5 | 178.2 | 0 | 0 | 112.1 | N50 S53 | N50-E55 PolarHBondContact O-N 2.74Å; S53-E55 PolarHBondContact O-N 2.88Å; S53-E55 VanDerWaalsContact OG-CG 3.3Å; S53-E55 WeakPolarHBondContact OG-CG 3.44Å |
| 56 | K | 80 | Confident | 87.5 | Confident | 79 Ų | 79 | 66.8 Ų | 66.8 | 34% | 0.343 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -144.3 | 153.6 | -176.9 | -64.9 | -169.6 | 178 | -176.5 | 0 | 113.2 | E19 N50 V51 G54 | E19-K56 IonicContact OE1-NZ 2.84Å; E19-K56 PolarHBondContact OE1-NZ 2.91Å; E19-K56 VanDerWaalsContact OE2-CD 3.31Å; E19-K56 WeakPolarHBondContact OE2-CD 3.46Å; E19-K56 IonicContact OE2-NZ 3.15Å; E19-K56 PolarHBondContact OE2-NZ 2.66Å; N50-K56 HydrophobicContact CB-CB 4.22Å; N50-K56 HydrophobicContact CB-CD 4.02Å; N50-K56 HydrophobicContact CB-CG 4.1Å; N50-K56 PolarHBondContact O-N 3.09Å; V51-K56 WeakPolarHBondContact CA-O 3.37Å; G54-K56 VanDerWaalsContact C-N 3.29Å |
| 57 | E | 82.8 | Confident | 87.8 | Confident | 135 Ų | 135 | 65.9 Ų | 65.9 | 63% | 0.631 | 35% | 0.353 | S | S | * | . | trans | -69.5 | 146.6 | 167.6 | -69.7 | -61 | 157.4 | 0 | 0 | 111.6 | R47 V51 F59 | R47-E57 PolarHBondContact NH2-O 2.69Å; V51-E57 WeakPolarHBondContact CG2-O 3.31Å; E57-F59 PolarHBondContact O-N 2.87Å | ||
| 58 | P | 80.4 | Confident | 88.1 | Confident | 38 Ų | 38 | 71.8 Ų | 71.8 | 25% | 0.247 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -54.6 | -37.1 | -178.8 | -18.5 | 26 | 0 | 0 | 0 | 113.9 | V51 F317 | V51-P58 HydrophobicContact CG1-CB 3.75Å; V51-P58 HydrophobicContact CG1-CG 3.56Å; V51-P58 VanDerWaalsContact CG2-CA 3.45Å; V51-P58 HydrophobicContact CG2-CB 4.41Å; P58-F317 HydrophobicContact CB-CE1 3.93Å; P58-F317 WeakPolarHBondContact O-CE1 3.37Å |
| 59 | F | 82.7 | Confident | 88.4 | Confident | 50 Ų | 50 | 76.3 Ų | 76.3 | 22% | 0.219 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -140.2 | 159.8 | -179.6 | 47.8 | -84.2 | 0 | 0 | 0 | 108.5 | E57 F325 | E57-F59 PolarHBondContact O-N 2.87Å; F59-F325 AromaticContact CD1-CD1 3.85Å; F59-F325 HydrophobicContact CD1-CD1 3.85Å; F59-F325 AromaticContact CD1-CD2 3.52Å; F59-F325 HydrophobicContact CD1-CD2 3.52Å; F59-F325 AromaticContact CD1-CE1 3.72Å; F59-F325 HydrophobicContact CD1-CE1 3.72Å; F59-F325 AromaticContact CD1-CE2 3.36Å; F59-F325 HydrophobicContact CD1-CE2 3.36Å; F59-F325 AromaticContact CD1-CG 3.77Å; F59-F325 HydrophobicContact CD1-CG 3.77Å; F59-F325 AromaticContact CD1-CZ 3.48Å; F59-F325 HydrophobicContact CD1-CZ 3.48Å; F59-F325 VanDerWaalsContact CD1-CZ 3.48Å; F59-F325 AromaticContact CD2-CD1 3.89Å; F59-F325 HydrophobicContact CD2-CD1 3.89Å; F59-F325 HydrophobicContact CD2-CE1 4.08Å; F59-F325 HydrophobicContact CD2-CG 4.31Å; F59-F325 AromaticContact CE1-CD1 3.85Å; F59-F325 HydrophobicContact CE1-CD1 3.85Å; F59-F325 AromaticContact CE1-CD2 3.9Å; F59-F325 HydrophobicContact CE1-CD2 3.9Å; F59-F325 AromaticContact CE1-CE1 3.23Å; F59-F325 HydrophobicContact CE1-CE1 3.23Å; F59-F325 AromaticContact CE1-CE2 3.28Å; F59-F325 HydrophobicContact CE1-CE2 3.28Å; F59-F325 HydrophobicContact CE1-CG 4.16Å; F59-F325 AromaticContact CE1-CZ 2.9Å; F59-F325 HydrophobicContact CE1-CZ 2.9Å; F59-F325 AromaticContact CE2-CD1 3.79Å; F59-F325 HydrophobicContact CE2-CD1 3.79Å; F59-F325 AromaticContact CE2-CE1 3.55Å; F59-F325 HydrophobicContact CE2-CE1 3.55Å; F59-F325 HydrophobicContact CE2-CZ 4.15Å; F59-F325 AromaticContact CG-CD1 3.95Å; F59-F325 HydrophobicContact CG-CD1 3.95Å; F59-F325 HydrophobicContact CG-CD2 4.11Å; F59-F325 HydrophobicContact CG-CE1 4.18Å; F59-F325 HydrophobicContact CG-CE2 4.32Å; F59-F325 AromaticContact CG-CG 3.93Å; F59-F325 HydrophobicContact CG-CG 3.93Å; F59-F325 HydrophobicContact CG-CZ 4.37Å; F59-F325 AromaticContact CZ-CD1 3.8Å; F59-F325 HydrophobicContact CZ-CD1 3.8Å; F59-F325 AromaticContact CZ-CE1 3.12Å; F59-F325 HydrophobicContact CZ-CE1 3.12Å; F59-F325 HydrophobicContact CZ-CE2 4.1Å; F59-F325 AromaticContact CZ-CZ 3.3Å; F59-F325 HydrophobicContact CZ-CZ 3.3Å |
| 60 | L | 83.5 | Confident | 88.6 | Confident | 57 Ų | 57 | 69.3 Ų | 69.3 | 30% | 0.298 | 38% | 0.377 | S | S | . | . | trans | -74.8 | 139.5 | 167.3 | -75.1 | -179.4 | 0 | 0 | 0 | 109.8 | F65 D134 L135 | L60-F65 HydrophobicContact CB-CD2 4.4Å; L60-F65 HydrophobicContact CB-CE2 3.5Å; L60-F65 VanDerWaalsContact CB-CE2 3.5Å; L60-F65 HydrophobicContact CB-CZ 4.25Å; L60-F65 HydrophobicContact CD1-CE2 3.73Å; L60-F65 HydrophobicContact CD1-CZ 3.69Å; L60-F65 HydrophobicContact CG-CE2 4.27Å; L60-D134 HydrophobicContact CD1-CB 3.79Å; L60-D134 HydrophobicContact CG-CB 4.28Å; L60-D134 PolarHBondContact N-O 3.02Å; L60-L135 WeakPolarHBondContact O-CD1 3.35Å | ||
| 61 | E | 84.9 | Confident | 88.9 | Confident | 124 Ų | 124 | 69.6 Ų | 69.6 | 58% | 0.579 | 38% | 0.379 | S | S | * | . | trans | -61.3 | 144.8 | 176.6 | -64.9 | -171.3 | 174.5 | 0 | 0 | 111.2 | S63 S64 | E61-S63 VanDerWaalsContact CB-OG 3.23Å; E61-S63 WeakPolarHBondContact CB-OG 3.42Å; E61-S63 PolarHBondContact O-N 3Å; E61-S63 VanDerWaalsContact O-N 3.15Å; E61-S63 PolarHBondContact OE2-OG 3.03Å; E61-S64 VanDerWaalsContact O-CB 3.22Å; E61-S64 WeakPolarHBondContact O-CB 3.3Å; E61-S64 PolarHBondContact O-N 3.39Å | ||
| 62 | E | 87.6 | Confident | 89.1 | Confident | 41 Ų | 41 | 76.7 Ų | 76.7 | 19% | 0.192 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -59.2 | -30.6 | 177.5 | -50.5 | 177.9 | 79.4 | 0 | 0 | 111.8 | S64 F65 F66 L71 H75 L135 P326 | E62-S64 PolarHBondContact O-N 3.47Å; E62-F65 PolarHBondContact O-N 3.14Å; E62-F66 HydrophobicContact CB-CD2 4.33Å; E62-F66 WeakPolarHBondContact O-CD2 3.36Å; E62-F66 PolarHBondContact O-N 3.26Å; E62-L71 HydrophobicContact CB-CD1 4.33Å; E62-L71 HydrophobicContact CB-CD2 3.42Å; E62-L71 VanDerWaalsContact CB-CD2 3.42Å; E62-L71 HydrophobicContact CG-CD2 4.36Å; E62-H75 VanDerWaalsContact CD-NE2 3.26Å; E62-H75 IonicContact OE1-CD2 2.87Å; E62-H75 IonicContact OE1-CE1 2.66Å; E62-H75 IonicContact OE1-NE2 2.67Å; E62-H75 PolarHBondContact OE1-NE2 3.06Å; E62-H75 IonicContact OE2-CE1 2.69Å; E62-H75 PolarHBondContact OE2-CE1 3.48Å; E62-H75 IonicContact OE2-NE2 3.12Å; E62-H75 PolarHBondContact OE2-NE2 2.99Å; E62-L135 HydrophobicContact CB-CD1 4.45Å; E62-L135 HydrophobicContact CG-CD1 4.02Å; E62-P326 HydrophobicContact CG-CB 3.75Å; E62-P326 WeakPolarHBondContact OE1-CB 3.3Å |
| 63 | S | 87.2 | Confident | 89.3 | Confident | 65 Ų | 65 | 72.3 Ų | 72.3 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -57.9 | -24.2 | 173.3 | 62.5 | 0 | 0 | 0 | 0 | 113.3 | E61 F65 | E61-S63 VanDerWaalsContact CB-OG 3.23Å; E61-S63 WeakPolarHBondContact CB-OG 3.42Å; E61-S63 PolarHBondContact O-N 3Å; E61-S63 VanDerWaalsContact O-N 3.15Å; E61-S63 PolarHBondContact OE2-OG 3.03Å; S63-F65 VanDerWaalsContact C-N 3.32Å |
| 64 | S | 87.9 | Confident | 89.4 | Confident | 82 Ų | 82 | 69.9 Ų | 69.9 | 57% | 0.573 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -77.4 | -18.8 | 175.7 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | E61 E62 | E61-S64 VanDerWaalsContact O-CB 3.22Å; E61-S64 WeakPolarHBondContact O-CB 3.3Å; E61-S64 PolarHBondContact O-N 3.39Å; E62-S64 PolarHBondContact O-N 3.47Å |
| 65 | F | 89.2 | Confident | 89.7 | Confident | 39 Ų | 39 | 69.4 Ų | 69.4 | 17% | 0.171 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -27.9 | -178.6 | -71.8 | -89.9 | 0 | 0 | 0 | 113.8 | L60 E62 S63 N132 D134 L135 | L60-F65 HydrophobicContact CB-CD2 4.4Å; L60-F65 HydrophobicContact CB-CE2 3.5Å; L60-F65 VanDerWaalsContact CB-CE2 3.5Å; L60-F65 HydrophobicContact CB-CZ 4.25Å; L60-F65 HydrophobicContact CD1-CE2 3.73Å; L60-F65 HydrophobicContact CD1-CZ 3.69Å; L60-F65 HydrophobicContact CG-CE2 4.27Å; E62-F65 PolarHBondContact O-N 3.14Å; S63-F65 VanDerWaalsContact C-N 3.32Å; F65-N132 HydrophobicContact CE1-CB 4.13Å; F65-D134 HydrophobicContact CZ-CB 4.24Å; F65-L135 HydrophobicContact CD2-CB 4.2Å; F65-L135 HydrophobicContact CD2-CD1 4.1Å; F65-L135 HydrophobicContact CD2-CD2 4.36Å; F65-L135 HydrophobicContact CD2-CG 4.46Å; F65-L135 HydrophobicContact CE2-CB 3.76Å; F65-L135 HydrophobicContact CE2-CD1 4.23Å; F65-L135 HydrophobicContact CE2-CG 4.46Å; F65-L135 HydrophobicContact CZ-CB 4.06Å |
| 66 | F | 95.6 | Very high | 90.1 | Very high | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.035 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -134 | 142.1 | -167.9 | -57 | -72.4 | 0 | 0 | 0 | 111.3 | E62 Q70 L71 L74 L126 K129 L130 L135 | E62-F66 HydrophobicContact CB-CD2 4.33Å; E62-F66 WeakPolarHBondContact O-CD2 3.36Å; E62-F66 PolarHBondContact O-N 3.26Å; F66-Q70 HydrophobicContact CB-CB 4Å; F66-Q70 HydrophobicContact CD1-CB 4.26Å; F66-L71 HydrophobicContact CB-CD2 3.54Å; F66-L71 HydrophobicContact CB-CG 3.73Å; F66-L71 HydrophobicContact CD2-CD2 3.77Å; F66-L71 HydrophobicContact CG-CD2 3.98Å; F66-L74 HydrophobicContact CD1-CD1 3.84Å; F66-L74 HydrophobicContact CD2-CD1 4.23Å; F66-L74 HydrophobicContact CE1-CD1 3.68Å; F66-L74 HydrophobicContact CE2-CD1 4.08Å; F66-L74 HydrophobicContact CG-CD1 4.12Å; F66-L74 HydrophobicContact CZ-CD1 3.81Å; F66-L126 HydrophobicContact CD1-CD2 3.96Å; F66-L126 HydrophobicContact CE1-CD2 4.05Å; F66-K129 HydrophobicContact CE1-CB 3.65Å; F66-K129 HydrophobicContact CE1-CD 4.07Å; F66-K129 HydrophobicContact CZ-CB 3.79Å; F66-L130 HydrophobicContact CE2-CD2 3.89Å; F66-L130 HydrophobicContact CE2-CG 4.46Å; F66-L130 HydrophobicContact CZ-CD2 3.89Å; F66-L130 HydrophobicContact CZ-CG 3.95Å; F66-L135 HydrophobicContact CE2-CD2 3.65Å; F66-L135 HydrophobicContact CZ-CD2 4.35Å |
| 67 | T | 97.1 | Very high | 90.5 | Very high | 57 Ų | 57 | 61 Ų | 61 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | trans | -69.1 | 159.5 | 166.4 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | K69 Q70 L71 D119 | T67-K69 PolarHBondContact O-N 3.26Å; T67-K69 VanDerWaalsContact O-N 3.15Å; T67-Q70 WeakPolarHBondContact O-CA 3.49Å; T67-Q70 WeakPolarHBondContact O-CB 3.36Å; T67-Q70 PolarHBondContact O-N 2.78Å; T67-Q70 WeakPolarHBondContact OG1-CB 3.42Å; T67-Q70 WeakPolarHBondContact OG1-CG 3.23Å; T67-Q70 PolarHBondContact OG1-N 2.96Å; T67-Q70 PolarHBondContact OG1-OE1 3.38Å; T67-L71 PolarHBondContact O-N 2.95Å; T67-D119 HydrophobicContact CG2-CB 4.3Å; T67-D119 PolarHBondContact OG1-OD2 2.89Å; T67-D119 VanDerWaalsContact OG1-OD2 3.06Å | ||
| 68 | D | 96.4 | Very high | 90.5 | Very high | 137 Ų | 137 | 55 Ų | 55 | 73% | 0.733 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -53.8 | -37.4 | 177.2 | -63.7 | -18.7 | 0 | 0 | 0 | 113.4 | L71 K72 | D68-L71 PolarHBondContact O-N 3.43Å; D68-K72 WeakPolarHBondContact O-CB 3.42Å; D68-K72 PolarHBondContact O-N 3.49Å |
| 69 | K | 97.5 | Very high | 90.1 | Very high | 129 Ų | 129 | 56.7 Ų | 56.7 | 56% | 0.561 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -69.4 | -36.2 | 177.9 | -61.5 | -173.5 | -157.6 | 148.3 | 0 | 112 | T67 Y73 I118 D119 | T67-K69 PolarHBondContact O-N 3.26Å; T67-K69 VanDerWaalsContact O-N 3.15Å; K69-Y73 PolarHBondContact O-N 3.35Å; K69-Y73 VanDerWaalsContact O-N 3.17Å; K69-I118 HydrophobicContact CB-CG2 3.58Å; K69-D119 WeakPolarHBondContact CB-OD2 3.31Å; K69-D119 WeakPolarHBondContact CD-OD2 3.38Å; K69-D119 IonicContact NZ-OD1 3.55Å; K69-D119 PolarHBondContact NZ-OD1 2.88Å; K69-D119 IonicContact NZ-OD2 2.83Å |
| 70 | Q | 97.3 | Very high | 88.9 | Confident | 7 Ų | 7 | 61 Ų | 61 | 3% | 0.033 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.8 | -44.1 | 176.2 | -70.2 | 164.3 | -10.3 | 0 | 0 | 110.3 | F66 T67 Y73 L74 I118 L126 | F66-Q70 HydrophobicContact CB-CB 4Å; F66-Q70 HydrophobicContact CD1-CB 4.26Å; T67-Q70 WeakPolarHBondContact O-CA 3.49Å; T67-Q70 WeakPolarHBondContact O-CB 3.36Å; T67-Q70 PolarHBondContact O-N 2.78Å; T67-Q70 WeakPolarHBondContact OG1-CB 3.42Å; T67-Q70 WeakPolarHBondContact OG1-CG 3.23Å; T67-Q70 PolarHBondContact OG1-N 2.96Å; T67-Q70 PolarHBondContact OG1-OE1 3.38Å; Q70-Y73 WeakPolarHBondContact O-CB 3.49Å; Q70-Y73 PolarHBondContact O-N 3.4Å; Q70-Y73 VanDerWaalsContact O-N 3.15Å; Q70-L74 WeakPolarHBondContact O-CG 3.1Å; Q70-L74 PolarHBondContact O-N 2.6Å; Q70-I118 HydrophobicContact CG-CB 4.02Å; Q70-I118 HydrophobicContact CG-CG2 3.76Å; Q70-I118 PolarHBondContact NE2-O 3.25Å; Q70-L126 HydrophobicContact CB-CD1 4.28Å; Q70-L126 HydrophobicContact CB-CD2 3.98Å; Q70-L126 HydrophobicContact CG-CD1 4.1Å; Q70-L126 HydrophobicContact CG-CD2 3.68Å |
| 71 | L | 94.7 | Very high | 87.3 | Confident | 22 Ų | 22 | 65.5 Ų | 65.5 | 12% | 0.115 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 173.8 | -66.9 | 178.8 | 0 | 0 | 0 | 111.7 | E62 F66 T67 D68 Y73 L74 H75 | E62-L71 HydrophobicContact CB-CD1 4.33Å; E62-L71 HydrophobicContact CB-CD2 3.42Å; E62-L71 VanDerWaalsContact CB-CD2 3.42Å; E62-L71 HydrophobicContact CG-CD2 4.36Å; F66-L71 HydrophobicContact CB-CD2 3.54Å; F66-L71 HydrophobicContact CB-CG 3.73Å; F66-L71 HydrophobicContact CD2-CD2 3.77Å; F66-L71 HydrophobicContact CG-CD2 3.98Å; T67-L71 PolarHBondContact O-N 2.95Å; D68-L71 PolarHBondContact O-N 3.43Å; L71-Y73 PolarHBondContact O-N 2.9Å; L71-Y73 VanDerWaalsContact O-N 3.16Å; L71-L74 PolarHBondContact O-N 3.27Å; L71-H75 WeakPolarHBondContact O-CB 3.38Å; L71-H75 PolarHBondContact O-N 2.85Å |
| 72 | K | 93.9 | Very high | 86 | Confident | 167 Ų | 167 | 61.8 Ų | 61.8 | 73% | 0.726 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -54.2 | -38.4 | 175.6 | -176.3 | 176.6 | -178.1 | 176 | 0 | 112.3 | D68 S76 | D68-K72 WeakPolarHBondContact O-CB 3.42Å; D68-K72 PolarHBondContact O-N 3.49Å; K72-S76 WeakPolarHBondContact O-CB 3.44Å; K72-S76 PolarHBondContact O-N 3.32Å |
| 73 | Y | 94.6 | Very high | 84.4 | Confident | 27 Ų | 27 | 66.2 Ų | 66.2 | 11% | 0.106 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.3 | -46.8 | 174.7 | 169.4 | -102.2 | 0 | 0 | 0 | 112.4 | K69 Q70 L71 H75 S76 F77 I118 K123 L126 F127 | K69-Y73 PolarHBondContact O-N 3.35Å; K69-Y73 VanDerWaalsContact O-N 3.17Å; Q70-Y73 WeakPolarHBondContact O-CB 3.49Å; Q70-Y73 PolarHBondContact O-N 3.4Å; Q70-Y73 VanDerWaalsContact O-N 3.15Å; L71-Y73 PolarHBondContact O-N 2.9Å; L71-Y73 VanDerWaalsContact O-N 3.16Å; Y73-H75 PolarHBondContact O-N 2.9Å; Y73-S76 WeakPolarHBondContact O-CB 3.46Å; Y73-S76 PolarHBondContact O-N 3.19Å; Y73-S76 PolarHBondContact O-OG 2.89Å; Y73-F77 HydrophobicContact CD1-CE2 4.24Å; Y73-F77 HydrophobicContact CD2-CE2 4.45Å; Y73-F77 HydrophobicContact CD2-CZ 4.32Å; Y73-F77 AromaticContact CE1-CE2 3.82Å; Y73-F77 HydrophobicContact CE1-CE2 3.82Å; Y73-F77 HydrophobicContact CE1-CZ 4.09Å; Y73-F77 HydrophobicContact CE2-CE2 4.05Å; Y73-F77 AromaticContact CE2-CZ 3.62Å; Y73-F77 HydrophobicContact CE2-CZ 3.62Å; Y73-F77 AromaticContact CZ-CE2 3.72Å; Y73-F77 AromaticContact CZ-CZ 3.48Å; Y73-F77 VanDerWaalsContact CZ-CZ 3.48Å; Y73-F77 WeakPolarHBondContact O-CD2 3.25Å; Y73-F77 VanDerWaalsContact O-CE2 3.3Å; Y73-F77 WeakPolarHBondContact O-CE2 3.49Å; Y73-I118 HydrophobicContact CD1-CD1 3.87Å; Y73-I118 HydrophobicContact CD2-CD1 3.92Å; Y73-I118 HydrophobicContact CG-CD1 3.41Å; Y73-I118 VanDerWaalsContact CG-CD1 3.41Å; Y73-K123 HydrophobicContact CD1-CG 4.46Å; Y73-K123 HydrophobicContact CD2-CD 4.43Å; Y73-K123 HydrophobicContact CE1-CB 4.04Å; Y73-K123 HydrophobicContact CE1-CD 4.37Å; Y73-K123 HydrophobicContact CE1-CG 3.85Å; Y73-K123 HydrophobicContact CE2-CD 3.65Å; Y73-K123 HydrophobicContact CE2-CG 4.01Å; Y73-L126 HydrophobicContact CD1-CD1 3.69Å; Y73-L126 HydrophobicContact CE1-CD1 4.08Å; Y73-F127 HydrophobicContact CE1-CE2 4.37Å |
| 74 | L | 94.5 | Very high | 83.3 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67 | -34.4 | -178.1 | -67.9 | 174.9 | 0 | 0 | 0 | 113.1 | F66 Q70 L71 S76 F77 L126 L130 | F66-L74 HydrophobicContact CD1-CD1 3.84Å; F66-L74 HydrophobicContact CD2-CD1 4.23Å; F66-L74 HydrophobicContact CE1-CD1 3.68Å; F66-L74 HydrophobicContact CE2-CD1 4.08Å; F66-L74 HydrophobicContact CG-CD1 4.12Å; F66-L74 HydrophobicContact CZ-CD1 3.81Å; Q70-L74 WeakPolarHBondContact O-CG 3.1Å; Q70-L74 PolarHBondContact O-N 2.6Å; L71-L74 PolarHBondContact O-N 3.27Å; L74-S76 VanDerWaalsContact C-N 3.35Å; L74-F77 WeakPolarHBondContact O-CD2 3.3Å; L74-L126 HydrophobicContact CD2-CB 4.04Å; L74-L130 HydrophobicContact CD1-CD1 4.07Å; L74-L130 HydrophobicContact CD1-CD2 3.99Å; L74-L130 HydrophobicContact CD1-CG 3.92Å; L74-L130 HydrophobicContact CD2-CD1 3.57Å; L74-L130 HydrophobicContact CD2-CG 4.27Å; L74-L130 HydrophobicContact CG-CD1 4.27Å |
| 75 | H | 92.1 | Very high | 82.1 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 26% | 0.259 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -80.4 | -16 | 174.6 | -63.4 | 173.9 | 0 | 0 | 0 | 112.7 | E62 L71 Y73 F77 D78 | E62-H75 VanDerWaalsContact CD-NE2 3.26Å; E62-H75 IonicContact OE1-CD2 2.87Å; E62-H75 IonicContact OE1-CE1 2.66Å; E62-H75 IonicContact OE1-NE2 2.67Å; E62-H75 PolarHBondContact OE1-NE2 3.06Å; E62-H75 IonicContact OE2-CE1 2.69Å; E62-H75 PolarHBondContact OE2-CE1 3.48Å; E62-H75 IonicContact OE2-NE2 3.12Å; E62-H75 PolarHBondContact OE2-NE2 2.99Å; L71-H75 WeakPolarHBondContact O-CB 3.38Å; L71-H75 PolarHBondContact O-N 2.85Å; Y73-H75 PolarHBondContact O-N 2.9Å; H75-F77 PolarHBondContact O-N 2.93Å; H75-D78 PolarHBondContact O-N 3.18Å; H75-D78 VanDerWaalsContact O-OD2 3.08Å |
| 76 | S | 91.3 | Very high | 81.2 | Confident | 34 Ų | 34 | 69.5 Ų | 69.5 | 24% | 0.238 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -10.8 | 174.4 | 77.6 | 0 | 0 | 0 | 0 | 113.4 | K72 Y73 L74 R162 | K72-S76 WeakPolarHBondContact O-CB 3.44Å; K72-S76 PolarHBondContact O-N 3.32Å; Y73-S76 WeakPolarHBondContact O-CB 3.46Å; Y73-S76 PolarHBondContact O-N 3.19Å; Y73-S76 PolarHBondContact O-OG 2.89Å; L74-S76 VanDerWaalsContact C-N 3.35Å; S76-R162 PolarHBondContact O-NH2 3.23Å; S76-R162 PolarHBondContact OG-NH1 2.92Å |
| 77 | F | 89.4 | Confident | 80.5 | Confident | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.009 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -0.2 | 177.2 | -55.9 | -64.9 | 0 | 0 | 0 | 114.1 | Y73 L74 H75 F127 R154 R155 T158 A159 R162 | Y73-F77 HydrophobicContact CD1-CE2 4.24Å; Y73-F77 HydrophobicContact CD2-CE2 4.45Å; Y73-F77 HydrophobicContact CD2-CZ 4.32Å; Y73-F77 AromaticContact CE1-CE2 3.82Å; Y73-F77 HydrophobicContact CE1-CE2 3.82Å; Y73-F77 HydrophobicContact CE1-CZ 4.09Å; Y73-F77 HydrophobicContact CE2-CE2 4.05Å; Y73-F77 AromaticContact CE2-CZ 3.62Å; Y73-F77 HydrophobicContact CE2-CZ 3.62Å; Y73-F77 AromaticContact CZ-CE2 3.72Å; Y73-F77 AromaticContact CZ-CZ 3.48Å; Y73-F77 VanDerWaalsContact CZ-CZ 3.48Å; Y73-F77 WeakPolarHBondContact O-CD2 3.25Å; Y73-F77 VanDerWaalsContact O-CE2 3.3Å; Y73-F77 WeakPolarHBondContact O-CE2 3.49Å; L74-F77 WeakPolarHBondContact O-CD2 3.3Å; H75-F77 PolarHBondContact O-N 2.93Å; F77-F127 HydrophobicContact CD2-CZ 4.21Å; F77-F127 HydrophobicContact CE2-CE2 4.35Å; F77-F127 AromaticContact CE2-CZ 3.81Å; F77-F127 HydrophobicContact CE2-CZ 3.81Å; F77-F127 HydrophobicContact CZ-CZ 4.28Å; F77-R154 PolarHBondContact O-NH1 2.79Å; F77-R154 PolarHBondContact O-NH2 3.16Å; F77-R155 HydrophobicContact CB-CB 4.15Å; F77-R155 HydrophobicContact CB-CG 3.92Å; F77-R155 HydrophobicContact CG-CB 4.45Å; F77-T158 HydrophobicContact CD1-CG2 3.87Å; F77-T158 HydrophobicContact CE1-CG2 4.42Å; F77-A159 HydrophobicContact CE1-CB 3.76Å; F77-A159 HydrophobicContact CE2-CB 4.37Å; F77-A159 HydrophobicContact CZ-CB 3.55Å; F77-R162 VanDerWaalsContact CE1-NH1 3.25Å |
| 78 | D | 83.3 | Confident | 80 | Confident | 11 Ų | 11 | 74.8 Ų | 74.8 | 6% | 0.059 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -69.7 | 134 | 171.6 | -52.2 | -29.9 | 0 | 0 | 0 | 108.6 | H75 D80 F81 S82 R155 | H75-D78 PolarHBondContact O-N 3.18Å; H75-D78 VanDerWaalsContact O-OD2 3.08Å; D78-D80 PolarHBondContact O-N 2.95Å; D78-F81 HydrophobicContact CB-CD2 3.65Å; D78-F81 HydrophobicContact CB-CE2 4.25Å; D78-F81 PolarHBondContact O-N 3.38Å; D78-F81 VanDerWaalsContact O-N 3.12Å; D78-F81 WeakPolarHBondContact OD2-CD2 3.45Å; D78-S82 PolarHBondContact O-N 2.92Å; D78-R155 IonicContact OD1-CZ 2.79Å; D78-R155 IonicContact OD1-NH1 3.77Å; D78-R155 PolarHBondContact OD1-NH1 2.65Å; D78-R155 IonicContact OD1-NH2 3.68Å; D78-R155 PolarHBondContact OD1-NH2 3.4Å |
| 79 | D | 70.7 | Confident | 79.8 | Confident | 73 Ų | 73 | 70.7 Ų | 70.7 | 39% | 0.39 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -61.7 | -31.8 | -177.2 | -71.2 | -36.6 | 0 | 0 | 0 | 112.1 | F81 R154 Y344 | D79-F81 PolarHBondContact O-N 2.88Å; D79-R154 IonicContact OD1-NH1 2.78Å; D79-R154 PolarHBondContact OD1-NH1 3.21Å; D79-R154 VanDerWaalsContact OD1-NH1 3.08Å; D79-R154 IonicContact OD2-NH1 3.21Å; D79-Y344 VanDerWaalsContact CG-OH 3.25Å; D79-Y344 VanDerWaalsContact OD2-CZ 3.28Å; D79-Y344 PolarHBondContact OD2-OH 3.11Å |
| 80 | D | 57.8 | Low | 79.7 | Confident | 139 Ų | 139 | 64.8 Ų | 64.8 | 74% | 0.743 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -68.6 | -18.5 | 179.6 | -70.3 | -16.2 | 0 | 0 | 0 | 113.1 | D78 | D78-D80 PolarHBondContact O-N 2.95Š|
| 81 | F | 50.2 | Low | 79.7 | Confident | 152 Ų | 152 | 67 Ų | 67 | 67% | 0.667 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -106.4 | -6.7 | -178.1 | -62.9 | -55.3 | 0 | 0 | 0 | 114.4 | D78 D79 S83 | D78-F81 HydrophobicContact CB-CD2 3.65Å; D78-F81 HydrophobicContact CB-CE2 4.25Å; D78-F81 PolarHBondContact O-N 3.38Å; D78-F81 VanDerWaalsContact O-N 3.12Å; D78-F81 WeakPolarHBondContact OD2-CD2 3.45Å; D79-F81 PolarHBondContact O-N 2.88Å; F81-S83 PolarHBondContact O-N 3.09Å |
| 82 | S | 57.1 | Low | 79.8 | Confident | 47 Ų | 47 | 66 Ų | 66 | 33% | 0.329 | 38% | 0.382 | S | S | . | . | trans | -90 | 106.6 | 178.5 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | D78 A84 | D78-S82 PolarHBondContact O-N 2.92Å; S82-A84 PolarHBondContact O-N 2.79Å; S82-A84 PolarHBondContact OG-N 3.02Å; S82-A84 PolarHBondContact OG-O 3.22Å | ||
| 83 | S | 54.6 | Low | 80 | Confident | 133 Ų | 133 | 61.7 Ų | 61.7 | 93% | 0.93 | 36% | 0.361 | S | S | * | . | trans | -69.6 | -7.8 | 168.2 | 64.5 | 0 | 0 | 0 | 0 | 113.6 | F81 | F81-S83 PolarHBondContact O-N 3.09Š| ||
| 84 | A | 64.1 | Low | 80.1 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 49% | 0.488 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -81.9 | 138 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S82 | S82-A84 PolarHBondContact O-N 2.79Å; S82-A84 PolarHBondContact OG-N 3.02Å; S82-A84 PolarHBondContact OG-O 3.22Å |
| 85 | P | 62.1 | Low | 80.3 | Confident | 111 Ų | 111 | 60.3 Ų | 60.3 | 72% | 0.721 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 141.6 | 172.9 | 23.4 | -31.1 | 0 | 0 | 0 | 110 | F87 | P85-F87 PolarHBondContact O-N 2.69Š|
| 86 | P | 69.9 | Low | 80.5 | Confident | 86 Ų | 86 | 57.6 Ų | 57.6 | 56% | 0.558 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 138.9 | 179.1 | 25.8 | -33 | 0 | 0 | 0 | 109.4 | ||
| 87 | F | 81 | Confident | 80.6 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 31% | 0.311 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 151.5 | 169.6 | -57.3 | -66.1 | 0 | 0 | 0 | 110 | P85 R161 R162 | P85-F87 PolarHBondContact O-N 2.69Å; F87-R161 VanDerWaalsContact CB-NH2 3.33Å; F87-R161 HydrophobicContact CD2-CB 3.83Å; F87-R161 HydrophobicContact CE2-CB 3.78Å; F87-R161 HydrophobicContact CZ-CB 4.44Å; F87-R161 VanDerWaalsContact CZ-O 3.25Å; F87-R161 WeakPolarHBondContact CZ-O 3.29Å; F87-R162 HydrophobicContact CE2-CG 4.34Å; F87-R162 HydrophobicContact CZ-CG 4.34Å |
| 88 | P | 87.7 | Confident | 80.9 | Confident | 104 Ų | 104 | 57.5 Ų | 57.5 | 68% | 0.675 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 146.5 | 169.8 | -24.9 | 34 | 0 | 0 | 0 | 110.9 | A90 R161 | P88-A90 PolarHBondContact O-N 3.18Å; P88-R161 PolarHBondContact O-NH1 3.05Å; P88-R161 PolarHBondContact O-NH2 2.9Å |
| 89 | A | 91.4 | Very high | 81.5 | Confident | 51 Ų | 51 | 60.2 Ų | 60.2 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 127.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y344 | A89-Y344 CarbonylContact C-O 3.49Å; A89-Y344 VanDerWaalsContact CA-O 3.31Å; A89-Y344 WeakPolarHBondContact CA-O 3.06Å |
| 90 | A | 95.1 | Very high | 82.5 | Confident | 6 Ų | 6 | 63 Ų | 63 | 5% | 0.05 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 153.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P88 Y344 Y345 S346 | P88-A90 PolarHBondContact O-N 3.18Å; A90-Y344 PolarHBondContact N-O 3.46Å; A90-Y345 CarbonylContact O-C 3.5Å; A90-Y345 WeakPolarHBondContact O-CA 3.34Å; A90-S346 PolarHBondContact O-N 3.34Å |
| 91 | V | 97.6 | Very high | 84.3 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 32% | 0.321 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 108.3 | 170.4 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | R93 S168 S348 | V91-R93 HydrophobicContact CG1-CG 4.26Å; V91-S168 VanDerWaalsContact O-CB 3.25Å; V91-S168 WeakPolarHBondContact O-CB 3.35Å; V91-S168 PolarHBondContact O-OG 3.21Å; V91-S348 WeakPolarHBondContact CG1-OG 3.25Å |
| 92 | R | 98.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 128.7 | 175.3 | -59 | -169.5 | 177.8 | 167 | 0.3 | 109.2 | E157 L169 Y171 D292 Y345 S346 Y347 S348 | R92-E157 IonicContact CZ-OE2 3.35Å; R92-E157 IonicContact NE-OE1 3.02Å; R92-E157 PolarHBondContact NE-OE1 3.1Å; R92-E157 IonicContact NE-OE2 2.97Å; R92-E157 PolarHBondContact NE-OE2 3.48Å; R92-E157 VanDerWaalsContact NE-OE2 3.08Å; R92-E157 IonicContact NH2-OE2 2.8Å; R92-E157 PolarHBondContact NH2-OE2 3.36Å; R92-L169 WeakPolarHBondContact CB-O 3.09Å; R92-L169 WeakPolarHBondContact CD-O 3.29Å; R92-L169 WeakPolarHBondContact CG-O 3.48Å; R92-Y171 HydrophobicContact CB-CD1 4.46Å; R92-D292 IonicContact NH1-OD2 3.9Å; R92-Y345 HydrophobicContact CG-CD2 4.49Å; R92-Y345 VanDerWaalsContact NH2-CD1 3.31Å; R92-Y345 VanDerWaalsContact NH2-CE1 3.33Å; R92-S346 PolarHBondContact N-O 3.37Å; R92-Y347 HydrophobicContact CB-CD1 3.56Å; R92-Y347 HydrophobicContact CB-CE1 3.58Å; R92-Y347 HydrophobicContact CB-CG 4.5Å; R92-Y347 VanDerWaalsContact CD-CE1 3.47Å; R92-Y347 HydrophobicContact CG-CD1 4.44Å; R92-Y347 HydrophobicContact CG-CE1 4.09Å; R92-Y347 PolarHBondContact NH1-OH 3.29Å; R92-Y347 WeakPolarHBondContact O-CA 3.27Å; R92-S348 PolarHBondContact O-N 2.57Å |
| 93 | R | 97.6 | Very high | 88.4 | Confident | 77 Ų | 77 | 59.1 Ų | 59.1 | 29% | 0.291 | 34% | 0.337 | S | S | . | . | trans | -126.5 | 163.7 | -177.5 | -57.3 | -168.2 | -179.7 | 140.6 | 6.7 | 110.8 | V91 Y95 L98 E102 P170 Y171 | V91-R93 HydrophobicContact CG1-CG 4.26Å; R93-Y95 PolarHBondContact O-N 3.29Å; R93-L98 HydrophobicContact CB-CD2 4.12Å; R93-E102 IonicContact CZ-OE1 2.93Å; R93-E102 IonicContact NH1-OE1 2.76Å; R93-E102 PolarHBondContact NH1-OE1 3.49Å; R93-E102 IonicContact NH1-OE2 3.9Å; R93-P170 CarbonylContact O-C 3.53Å; R93-P170 WeakPolarHBondContact O-CA 3.45Å; R93-P170 WeakPolarHBondContact O-CB 3.49Å; R93-Y171 VanDerWaalsContact C-CD1 3.47Å; R93-Y171 WeakPolarHBondContact O-CD1 3.48Å; R93-Y171 PolarHBondContact O-N 2.54Å | ||
| 94 | E | 97.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -59.5 | 133.3 | 169.8 | -148.3 | -67.1 | 143.6 | 0 | 0 | 108.8 | R96 D97 L98 Y171 D173 I176 P351 | E94-R96 PolarHBondContact O-N 2.76Å; E94-R96 IonicContact OE1-CZ 3.35Å; E94-R96 IonicContact OE1-NE 3.45Å; E94-R96 PolarHBondContact OE1-NE 3.3Å; E94-R96 IonicContact OE1-NH2 3.8Å; E94-R96 PolarHBondContact OE1-NH2 3.4Å; E94-R96 WeakPolarHBondContact OE2-CA 3.46Å; E94-R96 WeakPolarHBondContact OE2-CB 3.3Å; E94-R96 IonicContact OE2-CZ 3.18Å; E94-R96 PolarHBondContact OE2-N 3.36Å; E94-R96 IonicContact OE2-NE 3.08Å; E94-R96 PolarHBondContact OE2-NE 2.94Å; E94-R96 IonicContact OE2-NH2 3.95Å; E94-D97 HydrophobicContact CB-CB 4.31Å; E94-D97 WeakPolarHBondContact O-CA 3.26Å; E94-D97 WeakPolarHBondContact O-CB 3.28Å; E94-D97 PolarHBondContact O-N 3.11Å; E94-L98 PolarHBondContact O-N 3.02Å; E94-Y171 CarbonylContact C-O 3.35Å; E94-Y171 WeakPolarHBondContact CA-O 3.42Å; E94-Y171 HydrophobicContact CB-CD2 4.22Å; E94-Y171 HydrophobicContact CB-CE2 3.54Å; E94-Y171 HydrophobicContact CG-CD2 4.09Å; E94-Y171 HydrophobicContact CG-CE2 3.61Å; E94-Y171 VanDerWaalsContact N-CE1 3.35Å; E94-Y171 PolarHBondContact N-OH 3.34Å; E94-D173 HydrophobicContact CG-CB 3.92Å; E94-D173 PolarHBondContact OE1-N 3.32Å; E94-I176 HydrophobicContact CG-CD1 4.06Å; E94-P351 HydrophobicContact CB-CG 3.93Å; E94-P351 HydrophobicContact CG-CG 4.49Å |
| 95 | Y | 97.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -55.2 | -36.8 | -171.4 | 174.9 | -122.9 | 0 | 0 | 0 | 114 | R93 D97 L98 R103 F106 H107 P170 Y171 L188 L193 M194 M286 | R93-Y95 PolarHBondContact O-N 3.29Å; Y95-D97 VanDerWaalsContact C-N 3.3Å; Y95-L98 HydrophobicContact CD2-CD1 4.13Å; Y95-L98 WeakPolarHBondContact O-CB 3.4Å; Y95-L98 PolarHBondContact O-N 2.98Å; Y95-R103 HydrophobicContact CE2-CG 4.19Å; Y95-F106 HydrophobicContact CE2-CD1 4.23Å; Y95-F106 HydrophobicContact CE2-CE1 4.16Å; Y95-H107 AromaticContact CE2-NE2 3.72Å; Y95-H107 AromaticContact CZ-NE2 3.66Å; Y95-H107 PolarHBondContact OH-CE1 3.49Å; Y95-H107 VanDerWaalsContact OH-CE1 3.25Å; Y95-H107 PolarHBondContact OH-NE2 2.7Å; Y95-P170 HydrophobicContact CD2-CB 4.15Å; Y95-P170 HydrophobicContact CD2-CG 3.83Å; Y95-Y171 PolarHBondContact N-O 3.25Å; Y95-L188 HydrophobicContact CD1-CD1 3.78Å; Y95-L188 HydrophobicContact CE1-CD1 4.06Å; Y95-L193 HydrophobicContact CE1-CB 3.94Å; Y95-L193 HydrophobicContact CE1-CD2 4.16Å; Y95-L193 HydrophobicContact CE1-CG 4.44Å; Y95-L193 WeakPolarHBondContact OH-CA 3.3Å; Y95-L193 PolarHBondContact OH-O 3.33Å; Y95-M194 HydrophobicContact CD1-CG 4.39Å; Y95-M194 HydrophobicContact CD1-SD 4.25Å; Y95-M194 HydrophobicContact CE1-CG 3.73Å; Y95-M194 HydrophobicContact CE1-SD 3.49Å; Y95-M194 WeakPolarHBondContact CE1-SD 3.28Å; Y95-M286 HydrophobicContact CD1-SD 4.18Å; Y95-M286 HydrophobicContact CD2-CE 3.79Å; Y95-M286 HydrophobicContact CD2-SD 4.09Å; Y95-M286 HydrophobicContact CE2-CE 3.78Å; Y95-M286 HydrophobicContact CG-CE 4.18Å; Y95-M286 HydrophobicContact CG-SD 3.89Å |
| 96 | R | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -78.9 | -12.4 | 177 | -67.7 | 161.8 | -72.7 | -160.9 | -15.3 | 113.2 | E94 D173 E177 L193 N362 H364 L365 | E94-R96 PolarHBondContact O-N 2.76Å; E94-R96 IonicContact OE1-CZ 3.35Å; E94-R96 IonicContact OE1-NE 3.45Å; E94-R96 PolarHBondContact OE1-NE 3.3Å; E94-R96 IonicContact OE1-NH2 3.8Å; E94-R96 PolarHBondContact OE1-NH2 3.4Å; E94-R96 WeakPolarHBondContact OE2-CA 3.46Å; E94-R96 WeakPolarHBondContact OE2-CB 3.3Å; E94-R96 IonicContact OE2-CZ 3.18Å; E94-R96 PolarHBondContact OE2-N 3.36Å; E94-R96 IonicContact OE2-NE 3.08Å; E94-R96 PolarHBondContact OE2-NE 2.94Å; E94-R96 IonicContact OE2-NH2 3.95Å; R96-D173 PolarHBondContact NH2-O 3.31Å; R96-E177 IonicContact CZ-OE1 3.51Å; R96-E177 IonicContact NH1-OE1 3.28Å; R96-E177 PolarHBondContact NH1-OE1 3.45Å; R96-L193 HydrophobicContact CG-CD1 3.81Å; R96-N362 WeakPolarHBondContact O-CB 3.41Å; R96-N362 PolarHBondContact O-ND2 2.94Å; R96-N362 PolarHBondContact O-OD1 3.24Å; R96-H364 HydrophobicContact CB-CB 3.94Å; R96-H364 HydrophobicContact CG-CB 4.12Å; R96-L365 HydrophobicContact CB-CD1 4.28Å; R96-L365 HydrophobicContact CB-CD2 4.01Å; R96-L365 HydrophobicContact CB-CG 3.94Å |
| 97 | D | 94.5 | Very high | 94.8 | Very high | 29 Ų | 29 | 43.4 Ų | 43.4 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -83.5 | -16.9 | 174.6 | -157.7 | 46.1 | 0 | 0 | 0 | 111.9 | E94 Y95 T99 P351 S361 N362 L365 | E94-D97 HydrophobicContact CB-CB 4.31Å; E94-D97 WeakPolarHBondContact O-CA 3.26Å; E94-D97 WeakPolarHBondContact O-CB 3.28Å; E94-D97 PolarHBondContact O-N 3.11Å; Y95-D97 VanDerWaalsContact C-N 3.3Å; D97-T99 PolarHBondContact O-N 2.79Å; D97-P351 HydrophobicContact CB-CG 4.1Å; D97-S361 WeakPolarHBondContact OD1-CB 3.41Å; D97-S361 PolarHBondContact OD1-OG 3.47Å; D97-N362 PolarHBondContact O-ND2 3.33Å; D97-L365 HydrophobicContact CB-CD1 4.43Å |
| 98 | L | 95.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -59.3 | 130.9 | 175.1 | -63.2 | -172.2 | 0 | 0 | 0 | 111.8 | R93 E94 Y95 E102 R103 P170 N362 | R93-L98 HydrophobicContact CB-CD2 4.12Å; E94-L98 PolarHBondContact O-N 3.02Å; Y95-L98 HydrophobicContact CD2-CD1 4.13Å; Y95-L98 WeakPolarHBondContact O-CB 3.4Å; Y95-L98 PolarHBondContact O-N 2.98Å; L98-E102 HydrophobicContact CB-CB 4.26Å; L98-E102 HydrophobicContact CD2-CB 4.33Å; L98-R103 HydrophobicContact CB-CB 4.21Å; L98-R103 HydrophobicContact CD1-CB 4.45Å; L98-R103 PolarHBondContact O-NH1 2.92Å; L98-P170 HydrophobicContact CD1-CB 3.94Å; L98-P170 HydrophobicContact CD1-CG 4.04Å; L98-P170 HydrophobicContact CG-CB 4.38Å; L98-N362 PolarHBondContact O-ND2 3.38Å |
| 99 | T | 94.7 | Very high | 95.9 | Very high | 68 Ų | 68 | 39.9 Ų | 39.9 | 42% | 0.417 | 20% | 0.201 | S | C | . | . | trans | -58.9 | 157.9 | 168.9 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | D97 K101 E102 R103 | D97-T99 PolarHBondContact O-N 2.79Å; T99-K101 PolarHBondContact O-N 3.2Å; T99-E102 WeakPolarHBondContact CB-OE2 3.03Å; T99-E102 WeakPolarHBondContact CG2-OE2 3.43Å; T99-E102 PolarHBondContact N-OE2 2.96Å; T99-E102 PolarHBondContact O-N 3.14Å; T99-E102 VanDerWaalsContact O-N 3.17Å; T99-E102 VanDerWaalsContact OG1-CD 3.28Å; T99-E102 VanDerWaalsContact OG1-CG 3.28Å; T99-E102 WeakPolarHBondContact OG1-CG 3.49Å; T99-E102 PolarHBondContact OG1-N 2.96Å; T99-E102 PolarHBondContact OG1-OE2 3.09Å; T99-R103 WeakPolarHBondContact O-CB 3.45Å; T99-R103 PolarHBondContact O-N 2.86Å | ||
| 100 | K | 93.6 | Very high | 96.3 | Very high | 132 Ų | 132 | 37.6 Ų | 37.6 | 57% | 0.574 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -53 | -41.7 | 176.6 | -172.6 | -177.9 | -174.8 | -59.2 | 0 | 111.9 | R103 D104 | K100-R103 PolarHBondContact O-N 2.92Å; K100-D104 IonicContact NZ-OD1 3.8Å; K100-D104 IonicContact NZ-OD2 3.62Å; K100-D104 PolarHBondContact NZ-OD2 3.34Å; K100-D104 WeakPolarHBondContact O-CB 3.38Å; K100-D104 PolarHBondContact O-N 3.04Å |
| 101 | K | 95.3 | Very high | 96.3 | Very high | 177 Ų | 177 | 37.3 Ų | 37.3 | 77% | 0.77 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -63.2 | -48.8 | 178.5 | -176.9 | -177.3 | 175.4 | -175.2 | 0 | 112.3 | T99 R103 D104 A105 | T99-K101 PolarHBondContact O-N 3.2Å; K101-R103 VanDerWaalsContact C-N 3.33Å; K101-R103 PolarHBondContact O-N 3.43Å; K101-D104 PolarHBondContact O-N 3.39Å; K101-A105 WeakPolarHBondContact O-CB 3.14Å; K101-A105 PolarHBondContact O-N 2.75Å |
| 102 | E | 96.5 | Very high | 96.3 | Very high | 69 Ų | 69 | 39.8 Ų | 39.8 | 32% | 0.322 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 178.1 | -71.3 | 162.2 | 144.9 | 0 | 0 | 110.9 | R93 L98 T99 A105 F106 | R93-E102 IonicContact CZ-OE1 2.93Å; R93-E102 IonicContact NH1-OE1 2.76Å; R93-E102 PolarHBondContact NH1-OE1 3.49Å; R93-E102 IonicContact NH1-OE2 3.9Å; L98-E102 HydrophobicContact CB-CB 4.26Å; L98-E102 HydrophobicContact CD2-CB 4.33Å; T99-E102 WeakPolarHBondContact CB-OE2 3.03Å; T99-E102 WeakPolarHBondContact CG2-OE2 3.43Å; T99-E102 PolarHBondContact N-OE2 2.96Å; T99-E102 PolarHBondContact O-N 3.14Å; T99-E102 VanDerWaalsContact O-N 3.17Å; T99-E102 VanDerWaalsContact OG1-CD 3.28Å; T99-E102 VanDerWaalsContact OG1-CG 3.28Å; T99-E102 WeakPolarHBondContact OG1-CG 3.49Å; T99-E102 PolarHBondContact OG1-N 2.96Å; T99-E102 PolarHBondContact OG1-OE2 3.09Å; E102-A105 PolarHBondContact O-N 3.3Å; E102-F106 WeakPolarHBondContact O-CB 3.11Å; E102-F106 PolarHBondContact O-N 3.4Å |
| 103 | R | 96 | Very high | 96.3 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 177.8 | -178.2 | 172.2 | 64.5 | -123.6 | 16 | 112.4 | Y95 L98 T99 K100 K101 A105 F106 H107 H364 | Y95-R103 HydrophobicContact CE2-CG 4.19Å; L98-R103 HydrophobicContact CB-CB 4.21Å; L98-R103 HydrophobicContact CD1-CB 4.45Å; L98-R103 PolarHBondContact O-NH1 2.92Å; T99-R103 WeakPolarHBondContact O-CB 3.45Å; T99-R103 PolarHBondContact O-N 2.86Å; K100-R103 PolarHBondContact O-N 2.92Å; K101-R103 VanDerWaalsContact C-N 3.33Å; K101-R103 PolarHBondContact O-N 3.43Å; R103-A105 VanDerWaalsContact C-N 3.29Å; R103-A105 PolarHBondContact O-N 3.44Å; R103-F106 PolarHBondContact O-N 2.7Å; R103-H107 WeakPolarHBondContact CG-CE1 3.43Å; R103-H107 PolarHBondContact O-CD2 2.86Å; R103-H107 VanDerWaalsContact O-CG 3.23Å; R103-H107 PolarHBondContact O-N 2.87Å; R103-H364 PolarHBondContact NH1-CD2 2.93Å; R103-H364 PolarHBondContact NH1-NE2 3.22Å; R103-H364 PolarHBondContact NH2-NE2 3.39Å; R103-H364 VanDerWaalsContact NH2-NE2 3.12Å |
| 104 | D | 95 | Very high | 96.3 | Very high | 41 Ų | 41 | 36.9 Ų | 36.9 | 22% | 0.219 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.3 | -39 | 178.2 | -70.5 | -17.4 | 0 | 0 | 0 | 111.2 | K100 K101 Q108 | K100-D104 IonicContact NZ-OD1 3.8Å; K100-D104 IonicContact NZ-OD2 3.62Å; K100-D104 PolarHBondContact NZ-OD2 3.34Å; K100-D104 WeakPolarHBondContact O-CB 3.38Å; K100-D104 PolarHBondContact O-N 3.04Å; K101-D104 PolarHBondContact O-N 3.39Å; D104-Q108 WeakPolarHBondContact O-CB 3.4Å; D104-Q108 WeakPolarHBondContact O-CG 3.48Å; D104-Q108 PolarHBondContact O-N 3.13Å; D104-Q108 PolarHBondContact O-NE2 3.24Å |
| 105 | A | 96.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 12% | 0.116 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.7 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K101 E102 R103 H107 Q108 C109 V167 | K101-A105 WeakPolarHBondContact O-CB 3.14Å; K101-A105 PolarHBondContact O-N 2.75Å; E102-A105 PolarHBondContact O-N 3.3Å; R103-A105 VanDerWaalsContact C-N 3.29Å; R103-A105 PolarHBondContact O-N 3.44Å; A105-H107 PolarHBondContact O-N 3.05Å; A105-Q108 PolarHBondContact O-N 3.22Å; A105-C109 PolarHBondContact O-N 3.37Å; A105-V167 HydrophobicContact CB-CG2 3.7Å |
| 106 | F | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 175.1 | 168.9 | -107 | 0 | 0 | 0 | 112.3 | Y95 E102 R103 Q108 C109 L110 M160 V167 L169 P170 F206 M286 | Y95-F106 HydrophobicContact CE2-CD1 4.23Å; Y95-F106 HydrophobicContact CE2-CE1 4.16Å; E102-F106 WeakPolarHBondContact O-CB 3.11Å; E102-F106 PolarHBondContact O-N 3.4Å; R103-F106 PolarHBondContact O-N 2.7Å; F106-Q108 PolarHBondContact O-N 3.28Å; F106-C109 PolarHBondContact O-N 2.88Å; F106-L110 HydrophobicContact CE1-CD1 3.85Å; F106-L110 HydrophobicContact CE2-CD1 3.69Å; F106-L110 HydrophobicContact CE2-CG 4Å; F106-L110 HydrophobicContact CZ-CD1 3.3Å; F106-L110 HydrophobicContact CZ-CG 4.11Å; F106-L110 PolarHBondContact O-N 3.17Å; F106-L110 VanDerWaalsContact O-N 3.11Å; F106-M160 HydrophobicContact CD2-CE 4.45Å; F106-M160 HydrophobicContact CD2-SD 3.85Å; F106-M160 HydrophobicContact CE2-CE 4.1Å; F106-M160 HydrophobicContact CE2-SD 3.61Å; F106-V167 HydrophobicContact CB-CG1 4.08Å; F106-V167 HydrophobicContact CD2-CG1 3.99Å; F106-L169 HydrophobicContact CE2-CD1 4.27Å; F106-P170 HydrophobicContact CD1-CG 4.14Å; F106-P170 HydrophobicContact CD2-CG 4.35Å; F106-P170 HydrophobicContact CE1-CG 3.85Å; F106-P170 VanDerWaalsContact CE2-CD 3.43Å; F106-P170 HydrophobicContact CE2-CG 4.06Å; F106-P170 HydrophobicContact CG-CG 4.39Å; F106-P170 HydrophobicContact CZ-CG 3.79Å; F106-F206 HydrophobicContact CD1-CZ 4.48Å; F106-F206 AromaticContact CE1-CZ 3.87Å; F106-F206 HydrophobicContact CE1-CZ 3.87Å; F106-M286 HydrophobicContact CD1-CE 4.43Å; F106-M286 HydrophobicContact CE1-CE 3.24Å; F106-M286 HydrophobicContact CZ-CE 3.49Å; F106-M286 VanDerWaalsContact CZ-CE 3.49Å |
| 107 | H | 96.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 175.6 | -66.5 | 175.7 | 0 | 0 | 0 | 112.1 | Y95 R103 A105 L110 R111 S205 F206 | Y95-H107 AromaticContact CE2-NE2 3.72Å; Y95-H107 AromaticContact CZ-NE2 3.66Å; Y95-H107 PolarHBondContact OH-CE1 3.49Å; Y95-H107 VanDerWaalsContact OH-CE1 3.25Å; Y95-H107 PolarHBondContact OH-NE2 2.7Å; R103-H107 WeakPolarHBondContact CG-CE1 3.43Å; R103-H107 PolarHBondContact O-CD2 2.86Å; R103-H107 VanDerWaalsContact O-CG 3.23Å; R103-H107 PolarHBondContact O-N 2.87Å; A105-H107 PolarHBondContact O-N 3.05Å; H107-L110 PolarHBondContact O-N 3.43Å; H107-R111 WeakPolarHBondContact O-CB 3.46Å; H107-R111 VanDerWaalsContact O-CG 3.23Å; H107-R111 WeakPolarHBondContact O-CG 3.37Å; H107-R111 PolarHBondContact O-N 3.25Å; H107-S205 PolarHBondContact CE1-OG 3.26Å; H107-S205 WeakPolarHBondContact ND1-CB 3.41Å; H107-S205 PolarHBondContact ND1-OG 3.18Å; H107-F206 HydrophobicContact CB-CE1 4.38Å; H107-F206 AromaticContact CD2-CE1 3.57Å; H107-F206 AromaticContact CD2-CE2 3.69Å; H107-F206 AromaticContact CD2-CZ 3.12Å; H107-F206 WeakPolarHBondContact CD2-CZ 3.22Å; H107-F206 AromaticContact NE2-CE2 3.5Å; H107-F206 WeakPolarHBondContact NE2-CE2 3.4Å; H107-F206 AromaticContact NE2-CZ 3.42Å; H107-F206 WeakPolarHBondContact NE2-CZ 3.36Å |
| 108 | Q | 95.5 | Very high | 96.6 | Very high | 100 Ų | 100 | 46.7 Ų | 46.7 | 47% | 0.467 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.7 | -42.7 | 176.7 | -77.4 | 170.1 | 63.8 | 0 | 0 | 112.5 | D104 A105 F106 L110 R111 R112 Y212 | D104-Q108 WeakPolarHBondContact O-CB 3.4Å; D104-Q108 WeakPolarHBondContact O-CG 3.48Å; D104-Q108 PolarHBondContact O-N 3.13Å; D104-Q108 PolarHBondContact O-NE2 3.24Å; A105-Q108 PolarHBondContact O-N 3.22Å; F106-Q108 PolarHBondContact O-N 3.28Å; Q108-L110 PolarHBondContact O-N 2.93Å; Q108-R111 PolarHBondContact O-N 3.48Å; Q108-R112 VanDerWaalsContact O-CB 3.25Å; Q108-R112 WeakPolarHBondContact O-CB 3.35Å; Q108-R112 PolarHBondContact O-N 3.13Å; Q108-Y212 HydrophobicContact CG-CD1 3.81Å; Q108-Y212 HydrophobicContact CG-CE1 3.31Å |
| 109 | C | 96.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -47.2 | 175.5 | -79.3 | 0 | 0 | 0 | 0 | 111.9 | A105 F106 R112 M113 M160 D164 | A105-C109 PolarHBondContact O-N 3.37Å; F106-C109 PolarHBondContact O-N 2.88Å; C109-R112 WeakPolarHBondContact O-CB 3.5Å; C109-R112 PolarHBondContact O-N 2.9Å; C109-M113 WeakPolarHBondContact O-CG 3.49Å; C109-M113 PolarHBondContact O-N 3.44Å; C109-M160 HydrophobicContact CB-CB 4.23Å; C109-M160 HydrophobicContact CB-CG 4.38Å; C109-D164 WeakPolarHBondContact SG-CB 3.22Å |
| 110 | L | 97.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 177.9 | -72.3 | -170.7 | 0 | 0 | 0 | 112.2 | F106 H107 Q108 R112 M113 N114 Y124 F156 M160 F206 F218 P282 | F106-L110 HydrophobicContact CE1-CD1 3.85Å; F106-L110 HydrophobicContact CE2-CD1 3.69Å; F106-L110 HydrophobicContact CE2-CG 4Å; F106-L110 HydrophobicContact CZ-CD1 3.3Å; F106-L110 HydrophobicContact CZ-CG 4.11Å; F106-L110 PolarHBondContact O-N 3.17Å; F106-L110 VanDerWaalsContact O-N 3.11Å; H107-L110 PolarHBondContact O-N 3.43Å; Q108-L110 PolarHBondContact O-N 2.93Å; L110-R112 PolarHBondContact O-N 3.2Å; L110-M113 HydrophobicContact CD2-SD 4.31Å; L110-M113 PolarHBondContact O-N 3.48Å; L110-N114 WeakPolarHBondContact O-CB 3.35Å; L110-N114 PolarHBondContact O-N 2.94Å; L110-Y124 HydrophobicContact CD2-CD2 4.15Å; L110-Y124 HydrophobicContact CD2-CE2 4.12Å; L110-F156 HydrophobicContact CD2-CE1 3.93Å; L110-F156 HydrophobicContact CD2-CZ 3.54Å; L110-M160 HydrophobicContact CD2-CG 4Å; L110-M160 HydrophobicContact CD2-SD 3.47Å; L110-M160 WeakPolarHBondContact CD2-SD 3.26Å; L110-M160 HydrophobicContact CG-SD 3.98Å; L110-F206 HydrophobicContact CB-CE1 4.04Å; L110-F206 HydrophobicContact CD1-CE1 3.62Å; L110-F206 HydrophobicContact CD1-CZ 4.09Å; L110-F206 HydrophobicContact CG-CE1 4.41Å; L110-F218 HydrophobicContact CB-CE2 3.94Å; L110-F218 HydrophobicContact CB-CZ 3.82Å; L110-F218 VanDerWaalsContact O-CZ 3.3Å; L110-F218 WeakPolarHBondContact O-CZ 3.29Å; L110-P282 HydrophobicContact CD1-CB 3.97Å; L110-P282 HydrophobicContact CD1-CG 4.49Å |
| 111 | R | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.8 | -40.7 | 173.9 | -75.6 | -72.3 | -64.5 | -130.5 | -1.4 | 111.5 | H107 Q108 N114 T115 F206 R208 Y212 T215 E216 P217 F218 | H107-R111 WeakPolarHBondContact O-CB 3.46Å; H107-R111 VanDerWaalsContact O-CG 3.23Å; H107-R111 WeakPolarHBondContact O-CG 3.37Å; H107-R111 PolarHBondContact O-N 3.25Å; Q108-R111 PolarHBondContact O-N 3.48Å; R111-N114 PolarHBondContact O-N 3.3Å; R111-T115 WeakPolarHBondContact O-CB 3.42Å; R111-T115 PolarHBondContact O-N 3.12Å; R111-T115 PolarHBondContact O-OG1 2.03Å; R111-F206 VanDerWaalsContact CD-O 3.25Å; R111-F206 WeakPolarHBondContact CD-O 3.38Å; R111-F206 PolarHBondContact NH1-O 3.3Å; R111-R208 PolarHBondContact NH1-O 2.07Å; R111-Y212 HydrophobicContact CG-CD2 4.07Å; R111-Y212 HydrophobicContact CG-CE2 4.47Å; R111-Y212 PolarHBondContact NH2-O 3.06Å; R111-T215 HydrophobicContact CB-CG2 4.17Å; R111-T215 PolarHBondContact NE-OG1 2.87Å; R111-T215 PolarHBondContact NH2-O 3.44Å; R111-T215 PolarHBondContact NH2-OG1 3.4Å; R111-T215 VanDerWaalsContact NH2-OG1 3.16Å; R111-E216 PolarHBondContact NE-O 3.25Å; R111-P217 VanDerWaalsContact NH1-CA 3.26Å; R111-F218 HydrophobicContact CG-CE2 4.39Å |
| 112 | R | 97 | Very high | 97.1 | Very high | 105 Ų | 105 | 36.1 Ų | 36.1 | 40% | 0.396 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.1 | -44 | 177.1 | -174.2 | 68.6 | -179.8 | -177.9 | 5.4 | 111.9 | Q108 C109 L110 N114 T115 E116 I163 | Q108-R112 VanDerWaalsContact O-CB 3.25Å; Q108-R112 WeakPolarHBondContact O-CB 3.35Å; Q108-R112 PolarHBondContact O-N 3.13Å; C109-R112 WeakPolarHBondContact O-CB 3.5Å; C109-R112 PolarHBondContact O-N 2.9Å; L110-R112 PolarHBondContact O-N 3.2Å; R112-N114 VanDerWaalsContact C-N 3.27Å; R112-N114 PolarHBondContact O-N 3.11Å; R112-T115 WeakPolarHBondContact O-CB 3.21Å; R112-T115 PolarHBondContact O-N 3.11Å; R112-T115 VanDerWaalsContact O-N 3.09Å; R112-E116 HydrophobicContact CG-CG 4.37Å; R112-E116 IonicContact CZ-OE1 3.93Å; R112-E116 IonicContact NE-OE1 2.73Å; R112-E116 PolarHBondContact NE-OE1 3.4Å; R112-E116 IonicContact NH2-OE1 2.87Å; R112-E116 PolarHBondContact NH2-OE1 3.24Å; R112-E116 WeakPolarHBondContact O-CG 3.46Å; R112-E116 PolarHBondContact O-N 2.7Å; R112-I163 HydrophobicContact CB-CD1 4.02Å; R112-I163 HydrophobicContact CB-CG2 4.27Å; R112-I163 HydrophobicContact CG-CD1 3.89Å; R112-I163 HydrophobicContact CG-CG1 4.42Å; R112-I163 HydrophobicContact CG-CG2 4.02Å |
| 113 | M | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.6 | -35.7 | 173.1 | -71.6 | 179 | 61.4 | 0 | 0 | 112.6 | C109 L110 T115 K123 Y124 F127 F156 A159 M160 I163 | C109-M113 WeakPolarHBondContact O-CG 3.49Å; C109-M113 PolarHBondContact O-N 3.44Å; L110-M113 HydrophobicContact CD2-SD 4.31Å; L110-M113 PolarHBondContact O-N 3.48Å; M113-T115 VanDerWaalsContact C-N 3.31Å; M113-K123 HydrophobicContact CB-CB 4.5Å; M113-K123 WeakPolarHBondContact O-CB 3.11Å; M113-K123 PolarHBondContact O-N 3.07Å; M113-K123 VanDerWaalsContact O-N 3.09Å; M113-Y124 PolarHBondContact O-N 2.96Å; M113-Y124 VanDerWaalsContact O-N 3.09Å; M113-F127 HydrophobicContact CE-CD2 3.82Å; M113-F127 HydrophobicContact CE-CE2 3.75Å; M113-F156 HydrophobicContact CE-CD2 4.17Å; M113-F156 HydrophobicContact CE-CE2 3.92Å; M113-A159 HydrophobicContact CE-CB 3.79Å; M113-A159 HydrophobicContact SD-CB 4.18Å; M113-M160 HydrophobicContact SD-CB 4.34Å; M113-M160 HydrophobicContact SD-CG 3.46Å; M113-M160 WeakPolarHBondContact SD-CG 3.23Å; M113-I163 HydrophobicContact CG-CD1 3.55Å |
| 114 | N | 97.5 | Very high | 97.2 | Very high | 17 Ų | 17 | 34.6 Ų | 34.6 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72.9 | -24.5 | 175.9 | -169.1 | 58.7 | 0 | 0 | 0 | 112.9 | L110 R111 R112 S122 E216 P217 F218 | L110-N114 WeakPolarHBondContact O-CB 3.35Å; L110-N114 PolarHBondContact O-N 2.94Å; R111-N114 PolarHBondContact O-N 3.3Å; R112-N114 VanDerWaalsContact C-N 3.27Å; R112-N114 PolarHBondContact O-N 3.11Å; N114-S122 WeakPolarHBondContact O-CB 3.29Å; N114-E216 PolarHBondContact ND2-O 3.41Å; N114-P217 VanDerWaalsContact ND2-C 3.33Å; N114-P217 PolarHBondContact ND2-O 2.86Å; N114-F218 HydrophobicContact CB-CD1 4.46Å; N114-F218 HydrophobicContact CB-CD2 4.44Å; N114-F218 HydrophobicContact CB-CE1 3.92Å; N114-F218 HydrophobicContact CB-CE2 3.91Å; N114-F218 HydrophobicContact CB-CZ 3.62Å |
| 115 | T | 97.4 | Very high | 97.4 | Very high | 33 Ų | 33 | 35.5 Ų | 35.5 | 20% | 0.202 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -84.3 | -44.1 | 178.9 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | R111 R112 M113 K117 T215 E216 | R111-T115 WeakPolarHBondContact O-CB 3.42Å; R111-T115 PolarHBondContact O-N 3.12Å; R111-T115 PolarHBondContact O-OG1 2.03Å; R112-T115 WeakPolarHBondContact O-CB 3.21Å; R112-T115 PolarHBondContact O-N 3.11Å; R112-T115 VanDerWaalsContact O-N 3.09Å; M113-T115 VanDerWaalsContact C-N 3.31Å; T115-K117 PolarHBondContact O-N 3.49Å; T115-T215 WeakPolarHBondContact OG1-CA 3.43Å; T115-T215 WeakPolarHBondContact OG1-CB 3.47Å; T115-E216 HydrophobicContact CG2-CG 4.4Å; T115-E216 PolarHBondContact OG1-N 3.48Å |
| 116 | E | 97.4 | Very high | 97.4 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 22% | 0.22 | 18% | 0.181 | C | C | . | . | trans | -74.5 | 118.1 | -176.5 | -69.7 | -174.7 | 176 | 0 | 0 | 110.1 | R112 S122 K123 | R112-E116 HydrophobicContact CG-CG 4.37Å; R112-E116 IonicContact CZ-OE1 3.93Å; R112-E116 IonicContact NE-OE1 2.73Å; R112-E116 PolarHBondContact NE-OE1 3.4Å; R112-E116 IonicContact NH2-OE1 2.87Å; R112-E116 PolarHBondContact NH2-OE1 3.24Å; R112-E116 WeakPolarHBondContact O-CG 3.46Å; R112-E116 PolarHBondContact O-N 2.7Å; E116-S122 CarbonylContact O-C 3.42Å; E116-S122 WeakPolarHBondContact O-CA 3.38Å; E116-K123 HydrophobicContact CB-CD 3.84Å; E116-K123 HydrophobicContact CB-CG 4.34Å; E116-K123 WeakPolarHBondContact O-CG 3.33Å; E116-K123 PolarHBondContact O-N 2.92Å; E116-K123 WeakPolarHBondContact OE2-CE 3.35Å; E116-K123 IonicContact OE2-NZ 3.81Å; E116-K123 PolarHBondContact OE2-NZ 3.5Å | ||
| 117 | K | 98 | Very high | 97.4 | Very high | 128 Ų | 128 | 34.7 Ų | 34.7 | 56% | 0.557 | 18% | 0.18 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 147.4 | -174.9 | -64.2 | 178.5 | 179.5 | -171.8 | 0 | 112.2 | T115 V121 | T115-K117 PolarHBondContact O-N 3.49Å; K117-V121 CarbonylContact C-O 3.51Å; K117-V121 WeakPolarHBondContact CA-O 3.23Å |
| 118 | I | 98.1 | Very high | 97.3 | Very high | 27 Ų | 27 | 35.6 Ų | 35.6 | 14% | 0.138 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 115.9 | 168.9 | -53.7 | 179.9 | 0 | 0 | 0 | 107.1 | K69 Q70 Y73 G120 V121 K123 L126 | K69-I118 HydrophobicContact CB-CG2 3.58Å; Q70-I118 HydrophobicContact CG-CB 4.02Å; Q70-I118 HydrophobicContact CG-CG2 3.76Å; Q70-I118 PolarHBondContact NE2-O 3.25Å; Y73-I118 HydrophobicContact CD1-CD1 3.87Å; Y73-I118 HydrophobicContact CD2-CD1 3.92Å; Y73-I118 HydrophobicContact CG-CD1 3.41Å; Y73-I118 VanDerWaalsContact CG-CD1 3.41Å; I118-G120 PolarHBondContact O-N 3.08Å; I118-V121 PolarHBondContact N-O 3.17Å; I118-V121 PolarHBondContact O-N 2.96Å; I118-K123 HydrophobicContact CD1-CG 4.31Å; I118-K123 HydrophobicContact CG1-CG 4.4Å; I118-L126 HydrophobicContact CB-CD1 4.48Å; I118-L126 HydrophobicContact CD1-CD1 4.21Å |
| 119 | D | 97.4 | Very high | 97.2 | Very high | 75 Ų | 75 | 34.8 Ų | 34.8 | 40% | 0.401 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 48.7 | -174.9 | -59.4 | -34.3 | 0 | 0 | 0 | 111.9 | T67 K69 V121 | T67-D119 HydrophobicContact CG2-CB 4.3Å; T67-D119 PolarHBondContact OG1-OD2 2.89Å; T67-D119 VanDerWaalsContact OG1-OD2 3.06Å; K69-D119 WeakPolarHBondContact CB-OD2 3.31Å; K69-D119 WeakPolarHBondContact CD-OD2 3.38Å; K69-D119 IonicContact NZ-OD1 3.55Å; K69-D119 PolarHBondContact NZ-OD1 2.88Å; K69-D119 IonicContact NZ-OD2 2.83Å; D119-V121 VanDerWaalsContact C-N 3.29Å; D119-V121 PolarHBondContact O-N 3.23Å |
| 120 | G | 96.8 | Very high | 97 | Very high | 58 Ų | 58 | 34.9 Ų | 34.9 | 60% | 0.598 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -10.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | I118 | I118-G120 PolarHBondContact O-N 3.08Š|
| 121 | V | 97.2 | Very high | 96.8 | Very high | 26 Ų | 26 | 35.2 Ų | 35.2 | 16% | 0.158 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.4 | 179.7 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | K117 I118 D119 D125 L126 K129 | K117-V121 CarbonylContact C-O 3.51Å; K117-V121 WeakPolarHBondContact CA-O 3.23Å; I118-V121 PolarHBondContact N-O 3.17Å; I118-V121 PolarHBondContact O-N 2.96Å; D119-V121 VanDerWaalsContact C-N 3.29Å; D119-V121 PolarHBondContact O-N 3.23Å; V121-D125 HydrophobicContact CG1-CB 3.75Å; V121-L126 HydrophobicContact CB-CD2 4.06Å; V121-L126 HydrophobicContact CG1-CD2 3.68Å; V121-L126 HydrophobicContact CG1-CG 4.08Å; V121-K129 HydrophobicContact CG1-CD 4.41Å |
| 122 | S | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 148 | 178.8 | 77.9 | 0 | 0 | 0 | 0 | 111.2 | N114 E116 Y124 D125 L126 | N114-S122 WeakPolarHBondContact O-CB 3.29Å; E116-S122 CarbonylContact O-C 3.42Å; E116-S122 WeakPolarHBondContact O-CA 3.38Å; S122-Y124 PolarHBondContact O-N 3.16Å; S122-D125 PolarHBondContact O-N 3.24Å; S122-D125 WeakPolarHBondContact OG-CB 3.13Å; S122-D125 PolarHBondContact OG-N 3.49Å; S122-D125 PolarHBondContact OG-OD2 3.05Å; S122-L126 WeakPolarHBondContact O-CG 3.22Å; S122-L126 PolarHBondContact O-N 3.33Å |
| 123 | K | 98.1 | Very high | 96.1 | Very high | 46 Ų | 46 | 31.2 Ų | 31.2 | 20% | 0.2 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.5 | -29.7 | 175 | -77.1 | 178 | 177.7 | 178 | 0 | 112 | Y73 M113 E116 I118 F127 | Y73-K123 HydrophobicContact CD1-CG 4.46Å; Y73-K123 HydrophobicContact CD2-CD 4.43Å; Y73-K123 HydrophobicContact CE1-CB 4.04Å; Y73-K123 HydrophobicContact CE1-CD 4.37Å; Y73-K123 HydrophobicContact CE1-CG 3.85Å; Y73-K123 HydrophobicContact CE2-CD 3.65Å; Y73-K123 HydrophobicContact CE2-CG 4.01Å; M113-K123 HydrophobicContact CB-CB 4.5Å; M113-K123 WeakPolarHBondContact O-CB 3.11Å; M113-K123 PolarHBondContact O-N 3.07Å; M113-K123 VanDerWaalsContact O-N 3.09Å; E116-K123 HydrophobicContact CB-CD 3.84Å; E116-K123 HydrophobicContact CB-CG 4.34Å; E116-K123 WeakPolarHBondContact O-CG 3.33Å; E116-K123 PolarHBondContact O-N 2.92Å; E116-K123 WeakPolarHBondContact OE2-CE 3.35Å; E116-K123 IonicContact OE2-NZ 3.81Å; E116-K123 PolarHBondContact OE2-NZ 3.5Å; I118-K123 HydrophobicContact CD1-CG 4.31Å; I118-K123 HydrophobicContact CG1-CG 4.4Å; K123-F127 VanDerWaalsContact O-CD2 3.3Å; K123-F127 WeakPolarHBondContact O-CD2 3.41Å |
| 124 | Y | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.7 | -51.6 | 171.7 | -177.7 | -86.9 | 0 | 0 | 0 | 111.8 | L110 M113 S122 L126 F127 G128 F156 F218 G279 P282 Y285 | L110-Y124 HydrophobicContact CD2-CD2 4.15Å; L110-Y124 HydrophobicContact CD2-CE2 4.12Å; M113-Y124 PolarHBondContact O-N 2.96Å; M113-Y124 VanDerWaalsContact O-N 3.09Å; S122-Y124 PolarHBondContact O-N 3.16Å; Y124-L126 PolarHBondContact O-N 3.46Å; Y124-F127 WeakPolarHBondContact O-CB 3.28Å; Y124-F127 PolarHBondContact O-N 3.47Å; Y124-G128 PolarHBondContact O-N 3.37Å; Y124-F156 AromaticContact CD2-CE2 3.99Å; Y124-F156 HydrophobicContact CD2-CE2 3.99Å; Y124-F156 HydrophobicContact CD2-CZ 4.08Å; Y124-F156 HydrophobicContact CE2-CE2 4.02Å; Y124-F156 AromaticContact CE2-CZ 3.82Å; Y124-F156 HydrophobicContact CE2-CZ 3.82Å; Y124-F218 AromaticContact CD1-CE1 3.69Å; Y124-F218 HydrophobicContact CD1-CE1 3.69Å; Y124-F218 AromaticContact CD2-CE1 3.7Å; Y124-F218 HydrophobicContact CD2-CE1 3.7Å; Y124-F218 AromaticContact CD2-CZ 3.86Å; Y124-F218 HydrophobicContact CD2-CZ 3.86Å; Y124-F218 HydrophobicContact CE1-CD1 4.26Å; Y124-F218 AromaticContact CE1-CE1 3.61Å; Y124-F218 HydrophobicContact CE1-CE1 3.61Å; Y124-F218 AromaticContact CE2-CE1 3.6Å; Y124-F218 HydrophobicContact CE2-CE1 3.6Å; Y124-F218 AromaticContact CE2-CZ 3.94Å; Y124-F218 HydrophobicContact CE2-CZ 3.94Å; Y124-F218 AromaticContact CG-CE1 3.73Å; Y124-F218 HydrophobicContact CG-CE1 3.73Å; Y124-F218 HydrophobicContact CG-CZ 4.17Å; Y124-F218 AromaticContact CZ-CE1 3.56Å; Y124-G279 WeakPolarHBondContact CE1-O 3.17Å; Y124-G279 PolarHBondContact OH-O 3.08Å; Y124-P282 WeakPolarHBondContact OH-CA 3.48Å; Y124-Y285 HydrophobicContact CE1-CE2 4.33Å; Y124-Y285 HydrophobicContact CE2-CD2 4.28Å; Y124-Y285 AromaticContact CE2-CE2 3.87Å; Y124-Y285 HydrophobicContact CE2-CE2 3.87Å; Y124-Y285 AromaticContact CZ-CE2 3.57Å; Y124-Y285 VanDerWaalsContact OH-CE2 3.26Å; Y124-Y285 WeakPolarHBondContact OH-CE2 3.27Å |
| 125 | D | 97.3 | Very high | 95.4 | Very high | 60 Ų | 60 | 30.5 Ų | 30.5 | 32% | 0.321 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.8 | -26.7 | -179.5 | -68.4 | -44.7 | 0 | 0 | 0 | 112.8 | V121 S122 F127 G128 K129 | V121-D125 HydrophobicContact CG1-CB 3.75Å; S122-D125 PolarHBondContact O-N 3.24Å; S122-D125 WeakPolarHBondContact OG-CB 3.13Å; S122-D125 PolarHBondContact OG-N 3.49Å; S122-D125 PolarHBondContact OG-OD2 3.05Å; D125-F127 VanDerWaalsContact C-N 3.29Å; D125-F127 PolarHBondContact O-N 3.5Å; D125-G128 PolarHBondContact O-N 2.98Å; D125-K129 WeakPolarHBondContact O-CG 3.39Å; D125-K129 PolarHBondContact O-N 2.69Å |
| 126 | L | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.9 | -38.9 | 172.1 | -66.9 | 178.4 | 0 | 0 | 0 | 112 | F66 Q70 Y73 L74 I118 V121 S122 Y124 K129 L130 | F66-L126 HydrophobicContact CD1-CD2 3.96Å; F66-L126 HydrophobicContact CE1-CD2 4.05Å; Q70-L126 HydrophobicContact CB-CD1 4.28Å; Q70-L126 HydrophobicContact CB-CD2 3.98Å; Q70-L126 HydrophobicContact CG-CD1 4.1Å; Q70-L126 HydrophobicContact CG-CD2 3.68Å; Y73-L126 HydrophobicContact CD1-CD1 3.69Å; Y73-L126 HydrophobicContact CE1-CD1 4.08Å; L74-L126 HydrophobicContact CD2-CB 4.04Å; I118-L126 HydrophobicContact CB-CD1 4.48Å; I118-L126 HydrophobicContact CD1-CD1 4.21Å; V121-L126 HydrophobicContact CB-CD2 4.06Å; V121-L126 HydrophobicContact CG1-CD2 3.68Å; V121-L126 HydrophobicContact CG1-CG 4.08Å; S122-L126 WeakPolarHBondContact O-CG 3.22Å; S122-L126 PolarHBondContact O-N 3.33Å; Y124-L126 PolarHBondContact O-N 3.46Å; L126-K129 PolarHBondContact O-N 2.87Å; L126-L130 PolarHBondContact O-N 3.3Å |
| 127 | F | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.4 | -40.7 | 173.2 | -75.9 | -84.3 | 0 | 0 | 0 | 111.5 | Y73 F77 M113 K123 Y124 D125 K129 L130 H131 Y152 R155 F156 A159 Y285 | Y73-F127 HydrophobicContact CE1-CE2 4.37Å; F77-F127 HydrophobicContact CD2-CZ 4.21Å; F77-F127 HydrophobicContact CE2-CE2 4.35Å; F77-F127 AromaticContact CE2-CZ 3.81Å; F77-F127 HydrophobicContact CE2-CZ 3.81Å; F77-F127 HydrophobicContact CZ-CZ 4.28Å; M113-F127 HydrophobicContact CE-CD2 3.82Å; M113-F127 HydrophobicContact CE-CE2 3.75Å; K123-F127 VanDerWaalsContact O-CD2 3.3Å; K123-F127 WeakPolarHBondContact O-CD2 3.41Å; Y124-F127 WeakPolarHBondContact O-CB 3.28Å; Y124-F127 PolarHBondContact O-N 3.47Å; D125-F127 VanDerWaalsContact C-N 3.29Å; D125-F127 PolarHBondContact O-N 3.5Å; F127-K129 VanDerWaalsContact C-N 3.25Å; F127-K129 PolarHBondContact O-N 3.48Å; F127-L130 HydrophobicContact CD1-CD1 4.12Å; F127-L130 HydrophobicContact CE1-CD1 4.48Å; F127-L130 WeakPolarHBondContact O-CB 3.39Å; F127-L130 PolarHBondContact O-N 3.12Å; F127-L130 VanDerWaalsContact O-N 3.11Å; F127-H131 PolarHBondContact O-N 3.01Å; F127-Y152 HydrophobicContact CB-CE2 4.13Å; F127-Y152 HydrophobicContact CD1-CD2 4.38Å; F127-Y152 AromaticContact CD1-CE2 3.92Å; F127-Y152 HydrophobicContact CD1-CE2 3.92Å; F127-Y152 WeakPolarHBondContact O-CE2 3.16Å; F127-Y152 PolarHBondContact O-OH 3.48Å; F127-R155 HydrophobicContact CE1-CB 3.86Å; F127-R155 HydrophobicContact CZ-CB 4.43Å; F127-F156 HydrophobicContact CB-CD2 3.87Å; F127-F156 HydrophobicContact CB-CE2 4.31Å; F127-F156 HydrophobicContact CD1-CB 4.06Å; F127-F156 AromaticContact CD1-CD2 3.95Å; F127-F156 HydrophobicContact CD1-CD2 3.95Å; F127-F156 AromaticContact CD2-CD2 3.82Å; F127-F156 HydrophobicContact CD2-CD2 3.82Å; F127-F156 HydrophobicContact CD2-CE2 4.38Å; F127-F156 HydrophobicContact CE1-CB 4.03Å; F127-F156 HydrophobicContact CE1-CD2 4.46Å; F127-F156 HydrophobicContact CE2-CD2 4.34Å; F127-F156 AromaticContact CG-CD2 3.62Å; F127-F156 HydrophobicContact CG-CD2 3.62Å; F127-F156 HydrophobicContact CG-CE2 4.37Å; F127-A159 HydrophobicContact CE2-CB 3.64Å; F127-A159 HydrophobicContact CZ-CB 3.73Å; F127-Y285 HydrophobicContact CB-CE1 4.32Å; F127-Y285 WeakPolarHBondContact CB-OH 3.38Å |
| 128 | G | 95 | Very high | 94.7 | Very high | 20 Ų | 20 | 20.9 Ų | 20.9 | 21% | 0.206 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.8 | -40.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y124 D125 H131 Y285 | Y124-G128 PolarHBondContact O-N 3.37Å; D125-G128 PolarHBondContact O-N 2.98Å; G128-H131 PolarHBondContact O-N 3.37Å; G128-Y285 PolarHBondContact N-OH 3.28Å |
| 129 | K | 93.5 | Very high | 94.6 | Very high | 82 Ų | 82 | 19.7 Ų | 19.7 | 36% | 0.357 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -69.2 | -32.9 | 175.1 | -74.6 | -177.7 | 172.8 | -165.5 | 0 | 113.8 | F66 V121 D125 L126 F127 H131 N132 | F66-K129 HydrophobicContact CE1-CB 3.65Å; F66-K129 HydrophobicContact CE1-CD 4.07Å; F66-K129 HydrophobicContact CZ-CB 3.79Å; V121-K129 HydrophobicContact CG1-CD 4.41Å; D125-K129 WeakPolarHBondContact O-CG 3.39Å; D125-K129 PolarHBondContact O-N 2.69Å; L126-K129 PolarHBondContact O-N 2.87Å; F127-K129 VanDerWaalsContact C-N 3.25Å; F127-K129 PolarHBondContact O-N 3.48Å; K129-H131 PolarHBondContact O-N 3.49Å; K129-N132 WeakPolarHBondContact O-CB 3.3Å |
| 130 | L | 93.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 16.5 Ų | 16.5 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.6 | -32.3 | 175.9 | -83.7 | 175.4 | 0 | 0 | 0 | 112.1 | F66 L74 L126 F127 N132 L135 Y152 P326 | F66-L130 HydrophobicContact CE2-CD2 3.89Å; F66-L130 HydrophobicContact CE2-CG 4.46Å; F66-L130 HydrophobicContact CZ-CD2 3.89Å; F66-L130 HydrophobicContact CZ-CG 3.95Å; L74-L130 HydrophobicContact CD1-CD1 4.07Å; L74-L130 HydrophobicContact CD1-CD2 3.99Å; L74-L130 HydrophobicContact CD1-CG 3.92Å; L74-L130 HydrophobicContact CD2-CD1 3.57Å; L74-L130 HydrophobicContact CD2-CG 4.27Å; L74-L130 HydrophobicContact CG-CD1 4.27Å; L126-L130 PolarHBondContact O-N 3.3Å; F127-L130 HydrophobicContact CD1-CD1 4.12Å; F127-L130 HydrophobicContact CE1-CD1 4.48Å; F127-L130 WeakPolarHBondContact O-CB 3.39Å; F127-L130 PolarHBondContact O-N 3.12Å; F127-L130 VanDerWaalsContact O-N 3.11Å; L130-N132 PolarHBondContact O-N 3.23Å; L130-L135 HydrophobicContact CD2-CD2 4.18Å; L130-Y152 HydrophobicContact CB-CE2 4.23Å; L130-P326 HydrophobicContact CD2-CG 3.49Å; L130-P326 VanDerWaalsContact CD2-CG 3.49Å |
| 131 | H | 93.6 | Very high | 94.1 | Very high | 9 Ų | 9 | 13.8 Ų | 13.8 | 4% | 0.042 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -79.6 | 57.6 | 172.6 | -167.6 | -108.6 | 0 | 0 | 0 | 111 | F127 G128 K129 H140 W148 H149 F284 | F127-H131 PolarHBondContact O-N 3.01Å; G128-H131 PolarHBondContact O-N 3.37Å; K129-H131 PolarHBondContact O-N 3.49Å; H131-H140 AromaticContact CE1-CE1 3.77Å; H131-H140 AromaticContact CE1-NE2 3.11Å; H131-H140 PolarHBondContact CE1-NE2 3.11Å; H131-H140 AromaticContact NE2-CE1 3.65Å; H131-H140 AromaticContact NE2-NE2 3.02Å; H131-H140 PolarHBondContact NE2-NE2 3.34Å; H131-W148 HydrophobicContact CB-CH2 4.36Å; H131-W148 AromaticContact CD2-CH2 3.68Å; H131-W148 AromaticContact CD2-CZ3 3.51Å; H131-H149 AromaticContact CD2-NE2 3.82Å; H131-H149 AromaticContact NE2-NE2 3.34Å; H131-H149 PolarHBondContact NE2-NE2 2.93Å; H131-F284 AromaticContact CE1-CZ 3.77Å; H131-F284 AromaticContact ND1-CZ 3.57Å |
| 132 | N | 91 | Very high | 94 | Very high | 15 Ų | 15 | 12.5 Ų | 12.5 | 8% | 0.08 | 7% | 0.065 | C | C | . | . | trans | -116.2 | 129 | 172.5 | -177 | -74.3 | 0 | 0 | 0 | 109.1 | D21 F65 K129 L130 D134 L135 A136 | D21-N132 PolarHBondContact OD2-ND2 3.38Å; F65-N132 HydrophobicContact CE1-CB 4.13Å; K129-N132 WeakPolarHBondContact O-CB 3.3Å; L130-N132 PolarHBondContact O-N 3.23Å; N132-D134 VanDerWaalsContact C-N 3.35Å; N132-D134 PolarHBondContact O-N 3.15Å; N132-D134 WeakPolarHBondContact OD1-CB 3.01Å; N132-D134 PolarHBondContact OD1-N 3.25Å; N132-L135 HydrophobicContact CB-CB 4.36Å; N132-L135 WeakPolarHBondContact O-CB 3.07Å; N132-L135 PolarHBondContact O-N 3.49Å; N132-L135 VanDerWaalsContact O-N 3.14Å; N132-A136 WeakPolarHBondContact O-CA 3.18Å; N132-A136 WeakPolarHBondContact O-CB 3.4Å; N132-A136 PolarHBondContact O-N 2.93Å | ||
| 133 | I | 88.5 | Confident | 94 | Very high | 5 Ų | 5 | 12.8 Ų | 12.8 | 3% | 0.026 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -26.5 | -172.6 | -170.1 | 135.3 | 0 | 0 | 0 | 114.4 | L20 D21 F24 M44 L135 A136 P137 H140 | L20-I133 HydrophobicContact CB-CG2 3.83Å; L20-I133 HydrophobicContact CD1-CG1 4.15Å; D21-I133 VanDerWaalsContact OD1-CG2 3.31Å; D21-I133 WeakPolarHBondContact OD1-CG2 3.44Å; F24-I133 HydrophobicContact CD2-CD1 4.42Å; F24-I133 HydrophobicContact CD2-CG2 4.01Å; F24-I133 HydrophobicContact CE2-CB 4.06Å; F24-I133 HydrophobicContact CE2-CD1 3.31Å; F24-I133 HydrophobicContact CE2-CG1 3.65Å; F24-I133 HydrophobicContact CE2-CG2 3.55Å; F24-I133 HydrophobicContact CZ-CD1 3.62Å; F24-I133 HydrophobicContact CZ-CG1 4.15Å; M44-I133 HydrophobicContact SD-CD1 4.05Å; M44-I133 HydrophobicContact SD-CG1 4Å; I133-L135 VanDerWaalsContact C-N 3.27Å; I133-L135 PolarHBondContact O-N 3.35Å; I133-A136 CarbonylContact O-C 3.59Å; I133-P137 WeakPolarHBondContact O-CA 3.49Å; I133-H140 HydrophobicContact CD1-CB 3.91Å |
| 134 | D | 87.7 | Confident | 93.9 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.011 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -25.5 | 173.6 | -67.3 | -82.1 | 0 | 0 | 0 | 112.2 | G18 E19 L20 D21 L60 F65 N132 | G18-D134 VanDerWaalsContact C-OD2 3.26Å; G18-D134 VanDerWaalsContact CA-CG 3.49Å; G18-D134 WeakPolarHBondContact CA-OD2 3.29Å; E19-D134 PolarHBondContact N-OD1 3.24Å; E19-D134 VanDerWaalsContact N-OD1 3.09Å; L20-D134 WeakPolarHBondContact CB-OD1 3.28Å; L20-D134 PolarHBondContact N-OD1 3.26Å; D21-D134 PolarHBondContact N-OD2 2.89Å; L60-D134 HydrophobicContact CD1-CB 3.79Å; L60-D134 HydrophobicContact CG-CB 4.28Å; L60-D134 PolarHBondContact N-O 3.02Å; F65-D134 HydrophobicContact CZ-CB 4.24Å; N132-D134 VanDerWaalsContact C-N 3.35Å; N132-D134 PolarHBondContact O-N 3.15Å; N132-D134 WeakPolarHBondContact OD1-CB 3.01Å; N132-D134 PolarHBondContact OD1-N 3.25Å |
| 135 | L | 91.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -39.9 | 173.3 | -180 | 63.8 | 0 | 0 | 0 | 112.6 | L60 E62 F65 F66 L130 N132 I133 P137 F325 P326 | L60-L135 WeakPolarHBondContact O-CD1 3.35Å; E62-L135 HydrophobicContact CB-CD1 4.45Å; E62-L135 HydrophobicContact CG-CD1 4.02Å; F65-L135 HydrophobicContact CD2-CB 4.2Å; F65-L135 HydrophobicContact CD2-CD1 4.1Å; F65-L135 HydrophobicContact CD2-CD2 4.36Å; F65-L135 HydrophobicContact CD2-CG 4.46Å; F65-L135 HydrophobicContact CE2-CB 3.76Å; F65-L135 HydrophobicContact CE2-CD1 4.23Å; F65-L135 HydrophobicContact CE2-CG 4.46Å; F65-L135 HydrophobicContact CZ-CB 4.06Å; F66-L135 HydrophobicContact CE2-CD2 3.65Å; F66-L135 HydrophobicContact CZ-CD2 4.35Å; L130-L135 HydrophobicContact CD2-CD2 4.18Å; N132-L135 HydrophobicContact CB-CB 4.36Å; N132-L135 WeakPolarHBondContact O-CB 3.07Å; N132-L135 PolarHBondContact O-N 3.49Å; N132-L135 VanDerWaalsContact O-N 3.14Å; I133-L135 VanDerWaalsContact C-N 3.27Å; I133-L135 PolarHBondContact O-N 3.35Å; L135-P137 VanDerWaalsContact O-CD 3.29Å; L135-P137 WeakPolarHBondContact O-CD 3.2Å; L135-F325 WeakPolarHBondContact O-CB 3.38Å; L135-P326 HydrophobicContact CD1-CB 4.16Å; L135-P326 HydrophobicContact CD2-CB 4.4Å; L135-P326 HydrophobicContact CD2-CG 4.04Å; L135-P326 HydrophobicContact CG-CB 4.21Å; L135-P326 HydrophobicContact CG-CG 4.15Å |
| 136 | A | 93.5 | Very high | 94 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.043 | C | C | . | . | trans | -123.4 | 65.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N132 I133 A138 S139 W148 | N132-A136 WeakPolarHBondContact O-CA 3.18Å; N132-A136 WeakPolarHBondContact O-CB 3.4Å; N132-A136 PolarHBondContact O-N 2.93Å; I133-A136 CarbonylContact O-C 3.59Å; A136-A138 PolarHBondContact O-N 2.93Å; A136-A138 VanDerWaalsContact O-N 3.11Å; A136-S139 VanDerWaalsContact O-CB 3.25Å; A136-S139 WeakPolarHBondContact O-CB 3.47Å; A136-S139 PolarHBondContact O-N 3.2Å; A136-S139 PolarHBondContact O-OG 3.38Å; A136-W148 HydrophobicContact CB-CH2 4.37Å; A136-W148 HydrophobicContact CB-CZ2 3.41Å; A136-W148 VanDerWaalsContact CB-CZ2 3.41Å | ||
| 137 | P | 91.7 | Very high | 94 | Very high | 4 Ų | 4 | 7.9 Ų | 7.9 | 3% | 0.026 | 4% | 0.043 | C | C | . | . | G | 310 helix | trans | -63.9 | -20.8 | -175.5 | 25.8 | -35.6 | 0 | 0 | 0 | 113.4 | M44 I133 L135 S139 F317 | M44-P137 HydrophobicContact CE-CB 3.61Å; M44-P137 WeakPolarHBondContact CE-O 3.46Å; I133-P137 WeakPolarHBondContact O-CA 3.49Å; L135-P137 VanDerWaalsContact O-CD 3.29Å; L135-P137 WeakPolarHBondContact O-CD 3.2Å; P137-S139 PolarHBondContact O-N 3.25Å; P137-F317 HydrophobicContact CB-CB 3.85Å; P137-F317 HydrophobicContact CB-CD1 3.88Å; P137-F317 HydrophobicContact CB-CD2 4Å; P137-F317 HydrophobicContact CB-CE1 4.44Å; P137-F317 HydrophobicContact CB-CG 3.63Å; P137-F317 HydrophobicContact CG-CB 4.07Å; P137-F317 HydrophobicContact CG-CD1 3.62Å; P137-F317 HydrophobicContact CG-CE1 4.22Å; P137-F317 HydrophobicContact CG-CG 3.87Å |
| 138 | A | 94.2 | Very high | 94 | Very high | 2 Ų | 2 | 7.9 Ų | 7.9 | 2% | 0.017 | 4% | 0.043 | C | C | . | . | G | 310 helix | trans | -73 | -13.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A136 H140 A144 V145 W148 N332 | A136-A138 PolarHBondContact O-N 2.93Å; A136-A138 VanDerWaalsContact O-N 3.11Å; A138-H140 VanDerWaalsContact C-N 3.26Å; A138-H140 PolarHBondContact O-N 3Å; A138-A144 HydrophobicContact CB-CB 3.82Å; A138-A144 CarbonylContact O-C 3.6Å; A138-V145 PolarHBondContact O-N 2.7Å; A138-W148 HydrophobicContact CB-CG 4.42Å; A138-N332 WeakPolarHBondContact CB-OD1 3.32Å |
| 139 | S | 94.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 7.1 Ų | 7.1 | 1% | 0.007 | 3% | 0.034 | C | C | . | . | G | 310 helix | trans | -72.4 | -10.8 | -173.3 | 64.1 | 0 | 0 | 0 | 0 | 114.6 | A136 P137 V145 H149 | A136-S139 VanDerWaalsContact O-CB 3.25Å; A136-S139 WeakPolarHBondContact O-CB 3.47Å; A136-S139 PolarHBondContact O-N 3.2Å; A136-S139 PolarHBondContact O-OG 3.38Å; P137-S139 PolarHBondContact O-N 3.25Å; S139-V145 WeakPolarHBondContact O-CG2 3.42Å; S139-H149 PolarHBondContact O-CE1 3.26Å |
| 140 | H | 92.6 | Very high | 94.4 | Very high | 9 Ų | 9 | 3.2 Ų | 3.2 | 4% | 0.042 | 2% | 0.017 | C | C | . | . | S | Bend | trans | -149.2 | 166 | -178.7 | -68 | -66.8 | 0 | 0 | 0 | 111.8 | H131 I133 A138 G142 E258 H318 | H131-H140 AromaticContact CE1-CE1 3.77Å; H131-H140 AromaticContact CE1-NE2 3.11Å; H131-H140 PolarHBondContact CE1-NE2 3.11Å; H131-H140 AromaticContact NE2-CE1 3.65Å; H131-H140 AromaticContact NE2-NE2 3.02Å; H131-H140 PolarHBondContact NE2-NE2 3.34Å; I133-H140 HydrophobicContact CD1-CB 3.91Å; A138-H140 VanDerWaalsContact C-N 3.26Å; A138-H140 PolarHBondContact O-N 3Å; H140-G142 VanDerWaalsContact C-N 3.33Å; H140-G142 PolarHBondContact O-N 2.75Å; H140-E258 IonicContact ND1-OE2 3.86Å; H140-H318 PolarHBondContact O-CE1 2.79Å; H140-H318 PolarHBondContact O-NE2 3.35Å |
| 141 | V | 92.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.017 | C | C | . | . | S | Bend | trans | 68.7 | 0.9 | 169.7 | -53.7 | 0 | 0 | 0 | 0 | 119.3 | M40 L41 M44 V251 C252 E258 | M40-V141 HydrophobicContact CB-CG1 3.53Å; M40-V141 HydrophobicContact CE-CG1 3.56Å; M40-V141 HydrophobicContact SD-CG1 4.42Å; L41-V141 HydrophobicContact CD1-CG2 4.48Å; M44-V141 HydrophobicContact CB-CG2 4.05Å; M44-V141 HydrophobicContact CE-CG2 4.3Å; M44-V141 HydrophobicContact CG-CG2 3.64Å; V141-V251 HydrophobicContact CB-CB 4.28Å; V141-V251 PolarHBondContact O-N 2.68Å; V141-C252 PolarHBondContact O-N 2.71Å; V141-E258 WeakPolarHBondContact CA-OE1 3.44Å; V141-E258 PolarHBondContact N-OE1 2.98Å; V141-E258 VanDerWaalsContact N-OE1 3.09Å; V141-E258 PolarHBondContact N-OE2 3.31Å |
| 142 | G | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.015 | C | C | . | . | S | Bend | trans | -161.9 | -179.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H140 A144 V145 H318 | H140-G142 VanDerWaalsContact C-N 3.33Å; H140-G142 PolarHBondContact O-N 2.75Å; G142-A144 PolarHBondContact O-N 2.95Å; G142-V145 VanDerWaalsContact O-CB 3.29Å; G142-V145 WeakPolarHBondContact O-CB 3.24Å; G142-V145 WeakPolarHBondContact O-CG1 3.22Å; G142-V145 PolarHBondContact O-N 2.76Å; G142-H318 PolarHBondContact N-CE1 3.44Å; G142-H318 PolarHBondContact N-NE2 2.59Å |
| 143 | P | 96.6 | Very high | 95.1 | Very high | 7 Ų | 7 | 2 Ų | 2 | 5% | 0.045 | 1% | 0.011 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -21.5 | -169.1 | 12.7 | -24.9 | 0 | 0 | 0 | 115.2 | V145 P147 L246 P308 H318 | P143-V145 PolarHBondContact O-N 2.96Å; P143-P147 WeakPolarHBondContact O-CD 3.47Å; P143-L246 HydrophobicContact CB-CG 4.26Å; P143-L246 WeakPolarHBondContact O-CD2 3.41Å; P143-L246 WeakPolarHBondContact O-CG 3.24Å; P143-P308 HydrophobicContact CB-CG 3.6Å; P143-P308 HydrophobicContact CG-CG 3.95Å; P143-H318 HydrophobicContact CG-CB 3.92Å |
| 144 | A | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.01 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -10.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A138 G142 L146 P147 W148 Y307 H318 N332 | A138-A144 HydrophobicContact CB-CB 3.82Å; A138-A144 CarbonylContact O-C 3.6Å; G142-A144 PolarHBondContact O-N 2.95Å; A144-L146 PolarHBondContact O-N 3.48Å; A144-P147 WeakPolarHBondContact O-CD 3.33Å; A144-W148 VanDerWaalsContact O-CB 3.22Å; A144-W148 WeakPolarHBondContact O-CB 3.49Å; A144-W148 PolarHBondContact O-N 3.02Å; A144-Y307 WeakPolarHBondContact CB-OH 3.46Å; A144-Y307 PolarHBondContact N-OH 2.95Å; A144-H318 HydrophobicContact CB-CB 4.4Å; A144-H318 WeakPolarHBondContact CB-ND1 3.42Å; A144-N332 HydrophobicContact CB-CB 3.94Å |
| 145 | V | 97.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 2.2 Ų | 2.2 | 1% | 0.006 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -51.2 | -51.2 | -173.8 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | A138 S139 G142 P143 H149 F249 E258 | A138-V145 PolarHBondContact O-N 2.7Å; S139-V145 WeakPolarHBondContact O-CG2 3.42Å; G142-V145 VanDerWaalsContact O-CB 3.29Å; G142-V145 WeakPolarHBondContact O-CB 3.24Å; G142-V145 WeakPolarHBondContact O-CG1 3.22Å; G142-V145 PolarHBondContact O-N 2.76Å; P143-V145 PolarHBondContact O-N 2.96Å; V145-H149 PolarHBondContact O-N 2.77Å; V145-H149 PolarHBondContact O-ND1 2.88Å; V145-F249 HydrophobicContact CG1-CB 4.46Å; V145-E258 HydrophobicContact CG2-CG 4.4Å |
| 146 | L | 98.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 2.2 Ų | 2.2 | 1% | 0.01 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -75.6 | -46.8 | -179.5 | -78 | 168.4 | 0 | 0 | 0 | 113.1 | A144 W148 H149 R150 F249 F257 V291 F295 | A144-L146 PolarHBondContact O-N 3.48Å; L146-W148 VanDerWaalsContact C-N 3.27Å; L146-W148 PolarHBondContact O-N 2.91Å; L146-H149 PolarHBondContact O-N 3.45Å; L146-R150 WeakPolarHBondContact O-CB 3.4Å; L146-R150 PolarHBondContact O-N 3.21Å; L146-F249 HydrophobicContact CD1-CB 3.74Å; L146-F249 HydrophobicContact CD1-CD1 3.18Å; L146-F249 HydrophobicContact CD1-CD2 4.06Å; L146-F249 HydrophobicContact CD1-CE1 3.63Å; L146-F249 HydrophobicContact CD1-CE2 4.45Å; L146-F249 HydrophobicContact CD1-CG 3.39Å; L146-F249 HydrophobicContact CD1-CZ 4.25Å; L146-F249 HydrophobicContact CG-CD1 4.48Å; L146-F257 HydrophobicContact CD1-CE1 4.2Å; L146-F257 HydrophobicContact CD1-CZ 4.06Å; L146-F257 HydrophobicContact CD2-CE1 4.16Å; L146-F257 HydrophobicContact CD2-CZ 3.69Å; L146-F257 HydrophobicContact CG-CE1 4.08Å; L146-F257 HydrophobicContact CG-CZ 4.04Å; L146-V291 HydrophobicContact CD2-CB 4.42Å; L146-V291 HydrophobicContact CD2-CG2 4.09Å; L146-F295 HydrophobicContact CB-CD1 3.8Å; L146-F295 HydrophobicContact CB-CD2 4.25Å; L146-F295 HydrophobicContact CB-CE1 3.94Å; L146-F295 HydrophobicContact CB-CE2 4.38Å; L146-F295 HydrophobicContact CB-CG 3.95Å; L146-F295 HydrophobicContact CB-CZ 4.21Å; L146-F295 HydrophobicContact CD1-CB 3.82Å; L146-F295 HydrophobicContact CD1-CD1 4.44Å; L146-F295 HydrophobicContact CD1-CD2 3.71Å; L146-F295 HydrophobicContact CD1-CE2 4.37Å; L146-F295 HydrophobicContact CD1-CG 3.74Å; L146-F295 HydrophobicContact CD2-CB 3.96Å; L146-F295 HydrophobicContact CD2-CD1 4.48Å; L146-F295 HydrophobicContact CD2-CG 4.28Å; L146-F295 HydrophobicContact CG-CB 4.33Å; L146-F295 HydrophobicContact CG-CD1 4.48Å; L146-F295 HydrophobicContact CG-CG 4.22Å |
| 147 | P | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -50.6 | -42.6 | 170.7 | -32.2 | 36.4 | 0 | 0 | 0 | 114.4 | P143 A144 E151 L246 F295 Y307 M324 N332 | P143-P147 WeakPolarHBondContact O-CD 3.47Å; A144-P147 WeakPolarHBondContact O-CD 3.33Å; P147-E151 PolarHBondContact O-N 2.78Å; P147-L246 HydrophobicContact CG-CD1 4.44Å; P147-L246 HydrophobicContact CG-CD2 3.83Å; P147-F295 HydrophobicContact CG-CZ 4.5Å; P147-Y307 HydrophobicContact CG-CE2 4.3Å; P147-M324 HydrophobicContact CB-CE 4.13Å; P147-N332 WeakPolarHBondContact CB-O 3.12Å |
| 148 | W | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -67 | -48.6 | 178.7 | -174.2 | 96.8 | 0 | 0 | 0 | 111.5 | H131 A136 A138 A144 L146 R150 E151 Y152 M324 F325 F327 | H131-W148 HydrophobicContact CB-CH2 4.36Å; H131-W148 AromaticContact CD2-CH2 3.68Å; H131-W148 AromaticContact CD2-CZ3 3.51Å; A136-W148 HydrophobicContact CB-CH2 4.37Å; A136-W148 HydrophobicContact CB-CZ2 3.41Å; A136-W148 VanDerWaalsContact CB-CZ2 3.41Å; A138-W148 HydrophobicContact CB-CG 4.42Å; A144-W148 VanDerWaalsContact O-CB 3.22Å; A144-W148 WeakPolarHBondContact O-CB 3.49Å; A144-W148 PolarHBondContact O-N 3.02Å; L146-W148 VanDerWaalsContact C-N 3.27Å; L146-W148 PolarHBondContact O-N 2.91Å; W148-R150 VanDerWaalsContact C-N 3.28Å; W148-R150 PolarHBondContact O-N 2.71Å; W148-E151 PolarHBondContact O-N 2.7Å; W148-Y152 HydrophobicContact CH2-CD1 4.35Å; W148-Y152 AromaticContact CH2-CD2 3.89Å; W148-Y152 HydrophobicContact CH2-CD2 3.89Å; W148-Y152 HydrophobicContact CH2-CE2 4.45Å; W148-Y152 AromaticContact CH2-CG 3.81Å; W148-Y152 HydrophobicContact CH2-CG 3.81Å; W148-Y152 AromaticContact CZ3-CD1 3.92Å; W148-Y152 HydrophobicContact CZ3-CD1 3.92Å; W148-Y152 HydrophobicContact CZ3-CD2 4.24Å; W148-Y152 AromaticContact CZ3-CG 3.68Å; W148-Y152 HydrophobicContact CZ3-CG 3.68Å; W148-Y152 WeakPolarHBondContact O-CB 3.47Å; W148-Y152 PolarHBondContact O-N 3.02Å; W148-M324 HydrophobicContact CG-CG 4.41Å; W148-F325 PolarHBondContact NE1-O 2.89Å; W148-F327 HydrophobicContact CD2-CE2 4.01Å; W148-F327 AromaticContact CE2-CE2 3.51Å; W148-F327 AromaticContact CE2-CZ 3.96Å; W148-F327 HydrophobicContact CG-CE2 4.29Å; W148-F327 HydrophobicContact CH2-CE2 4.48Å; W148-F327 HydrophobicContact CH2-CZ 4.25Å; W148-F327 AromaticContact CZ2-CE2 3.79Å; W148-F327 HydrophobicContact CZ2-CE2 3.79Å; W148-F327 AromaticContact CZ2-CZ 3.72Å; W148-F327 HydrophobicContact CZ2-CZ 3.72Å; W148-F327 AromaticContact NE1-CE2 3.56Å |
| 149 | H | 98.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 3.7 Ų | 3.7 | 2% | 0.019 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -64.8 | -33 | 179.3 | -77 | 102.5 | 0 | 0 | 0 | 112.4 | H131 S139 V145 L146 Y152 L153 L288 | H131-H149 AromaticContact CD2-NE2 3.82Å; H131-H149 AromaticContact NE2-NE2 3.34Å; H131-H149 PolarHBondContact NE2-NE2 2.93Å; S139-H149 PolarHBondContact O-CE1 3.26Å; V145-H149 PolarHBondContact O-N 2.77Å; V145-H149 PolarHBondContact O-ND1 2.88Å; L146-H149 PolarHBondContact O-N 3.45Å; H149-Y152 WeakPolarHBondContact O-CB 3.39Å; H149-Y152 PolarHBondContact O-N 2.81Å; H149-L153 WeakPolarHBondContact O-CB 3.39Å; H149-L153 WeakPolarHBondContact O-CG 3.26Å; H149-L153 PolarHBondContact O-N 3.01Å; H149-L288 VanDerWaalsContact CD2-CD2 3.47Å; H149-L288 WeakPolarHBondContact CD2-CD2 3.46Å |
| 150 | R | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -58.3 | -48.5 | 173.9 | 167.6 | 159.9 | -66 | -166.2 | 3.9 | 112.1 | L146 W148 L153 R154 D292 F295 E296 G335 Y340 Y345 | L146-R150 WeakPolarHBondContact O-CB 3.4Å; L146-R150 PolarHBondContact O-N 3.21Å; W148-R150 VanDerWaalsContact C-N 3.28Å; W148-R150 PolarHBondContact O-N 2.71Å; R150-L153 PolarHBondContact O-N 3.11Å; R150-R154 PolarHBondContact O-N 3.13Å; R150-D292 IonicContact CZ-OD1 3.52Å; R150-D292 IonicContact NE-OD1 3.7Å; R150-D292 PolarHBondContact NE-OD1 3Å; R150-D292 IonicContact NE-OD2 3.76Å; R150-D292 PolarHBondContact NH2-O 2.8Å; R150-D292 IonicContact NH2-OD1 2.78Å; R150-D292 PolarHBondContact NH2-OD1 3.06Å; R150-D292 IonicContact NH2-OD2 3.4Å; R150-F295 VanDerWaalsContact NH2-CD1 3.34Å; R150-E296 IonicContact CZ-OE2 2.73Å; R150-E296 IonicContact NH1-OE2 3.96Å; R150-E296 PolarHBondContact NH1-OE2 3.2Å; R150-E296 IonicContact NH2-OE2 3.48Å; R150-E296 PolarHBondContact NH2-OE2 3.43Å; R150-G335 WeakPolarHBondContact CD-O 3.17Å; R150-Y340 HydrophobicContact CG-CD1 3.49Å; R150-Y340 VanDerWaalsContact CG-CD1 3.49Å; R150-Y340 HydrophobicContact CG-CD2 3.9Å; R150-Y340 HydrophobicContact CG-CE1 3.8Å; R150-Y340 HydrophobicContact CG-CE2 4.21Å; R150-Y340 HydrophobicContact CG-CG 3.54Å; R150-Y345 WeakPolarHBondContact CG-OH 3.37Å |
| 151 | E | 97.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 4.2 Ų | 4.2 | 1% | 0.014 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -65.6 | -43.9 | 175.8 | 175.9 | 54.5 | -174.9 | 0 | 0 | 112.1 | P147 W148 L153 R154 R155 M324 F327 L330 Y340 | P147-E151 PolarHBondContact O-N 2.78Å; W148-E151 PolarHBondContact O-N 2.7Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 2.92Å; E151-R154 WeakPolarHBondContact O-CB 3.05Å; E151-R154 PolarHBondContact O-N 3.05Å; E151-R154 VanDerWaalsContact O-N 3.17Å; E151-R154 IonicContact OE1-CZ 3.7Å; E151-R154 IonicContact OE1-NE 2.74Å; E151-R154 IonicContact OE1-NH2 3.79Å; E151-R154 PolarHBondContact OE1-NH2 3.4Å; E151-R154 IonicContact OE2-CZ 3.36Å; E151-R154 IonicContact OE2-NE 3.36Å; E151-R154 PolarHBondContact OE2-NE 3.25Å; E151-R154 IonicContact OE2-NH2 2.7Å; E151-R154 PolarHBondContact OE2-NH2 3.08Å; E151-R155 PolarHBondContact O-N 3.1Å; E151-R155 IonicContact OE1-CZ 3.02Å; E151-R155 VanDerWaalsContact OE1-CZ 3.28Å; E151-R155 IonicContact OE1-NE 3.37Å; E151-R155 PolarHBondContact OE1-NE 3.11Å; E151-R155 IonicContact OE1-NH2 3.22Å; E151-R155 PolarHBondContact OE1-NH2 3Å; E151-M324 HydrophobicContact CB-SD 3.83Å; E151-M324 HydrophobicContact CG-SD 4.19Å; E151-F327 HydrophobicContact CB-CD2 3.93Å; E151-F327 HydrophobicContact CB-CE2 4.17Å; E151-F327 HydrophobicContact CG-CB 4Å; E151-F327 HydrophobicContact CG-CD1 4.4Å; E151-F327 HydrophobicContact CG-CD2 3.42Å; E151-F327 VanDerWaalsContact CG-CD2 3.42Å; E151-F327 HydrophobicContact CG-CE2 3.95Å; E151-F327 HydrophobicContact CG-CG 3.68Å; E151-L330 HydrophobicContact CG-CD1 3.76Å; E151-Y340 HydrophobicContact CB-CE1 4.32Å; E151-Y340 WeakPolarHBondContact CB-OH 3.28Å; E151-Y340 VanDerWaalsContact OE2-CE1 3.28Å; E151-Y340 WeakPolarHBondContact OE2-CE1 3.35Å; E151-Y340 PolarHBondContact OE2-OH 3.34Å |
| 152 | Y | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -55 | -47.8 | 176.1 | 174 | -117.5 | 0 | 0 | 0 | 112.2 | F127 L130 W148 H149 R155 F156 F284 Y285 L288 F327 | F127-Y152 HydrophobicContact CB-CE2 4.13Å; F127-Y152 HydrophobicContact CD1-CD2 4.38Å; F127-Y152 AromaticContact CD1-CE2 3.92Å; F127-Y152 HydrophobicContact CD1-CE2 3.92Å; F127-Y152 WeakPolarHBondContact O-CE2 3.16Å; F127-Y152 PolarHBondContact O-OH 3.48Å; L130-Y152 HydrophobicContact CB-CE2 4.23Å; W148-Y152 HydrophobicContact CH2-CD1 4.35Å; W148-Y152 AromaticContact CH2-CD2 3.89Å; W148-Y152 HydrophobicContact CH2-CD2 3.89Å; W148-Y152 HydrophobicContact CH2-CE2 4.45Å; W148-Y152 AromaticContact CH2-CG 3.81Å; W148-Y152 HydrophobicContact CH2-CG 3.81Å; W148-Y152 AromaticContact CZ3-CD1 3.92Å; W148-Y152 HydrophobicContact CZ3-CD1 3.92Å; W148-Y152 HydrophobicContact CZ3-CD2 4.24Å; W148-Y152 AromaticContact CZ3-CG 3.68Å; W148-Y152 HydrophobicContact CZ3-CG 3.68Å; W148-Y152 WeakPolarHBondContact O-CB 3.47Å; W148-Y152 PolarHBondContact O-N 3.02Å; H149-Y152 WeakPolarHBondContact O-CB 3.39Å; H149-Y152 PolarHBondContact O-N 2.81Å; Y152-R155 PolarHBondContact O-N 3.41Å; Y152-F156 WeakPolarHBondContact O-CB 3.31Å; Y152-F156 PolarHBondContact O-N 3.11Å; Y152-F284 HydrophobicContact CE1-CE1 4.15Å; Y152-Y285 HydrophobicContact CE1-CD1 4.16Å; Y152-Y285 AromaticContact CE1-CE1 3.71Å; Y152-Y285 HydrophobicContact CE1-CE1 3.71Å; Y152-Y285 AromaticContact CZ-CE1 3.54Å; Y152-Y285 WeakPolarHBondContact OH-CE1 3.4Å; Y152-Y285 VanDerWaalsContact OH-CZ 3.29Å; Y152-Y285 PolarHBondContact OH-OH 3.39Å; Y152-L288 HydrophobicContact CD1-CD1 4.19Å; Y152-L288 HydrophobicContact CE1-CD1 3.95Å; Y152-F327 HydrophobicContact CD2-CZ 4.16Å |
| 153 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -68.7 | -35.4 | 177.9 | -65.8 | 170.1 | 0 | 0 | 0 | 112.4 | H149 R150 E151 F156 E157 L169 Y285 L288 A289 D292 | H149-L153 WeakPolarHBondContact O-CB 3.39Å; H149-L153 WeakPolarHBondContact O-CG 3.26Å; H149-L153 PolarHBondContact O-N 3.01Å; R150-L153 PolarHBondContact O-N 3.11Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 2.92Å; L153-F156 PolarHBondContact O-N 3.02Å; L153-E157 VanDerWaalsContact O-CB 3.31Å; L153-E157 WeakPolarHBondContact O-CB 3.28Å; L153-E157 PolarHBondContact O-N 3.48Å; L153-L169 HydrophobicContact CB-CD2 4.22Å; L153-L169 HydrophobicContact CD2-CD2 3.72Å; L153-L169 HydrophobicContact CG-CD2 4.43Å; L153-Y285 HydrophobicContact CD2-CD1 4.31Å; L153-L288 HydrophobicContact CD1-CB 3.98Å; L153-L288 HydrophobicContact CD2-CB 3.81Å; L153-L288 HydrophobicContact CD2-CD1 4.39Å; L153-L288 HydrophobicContact CG-CB 4.3Å; L153-A289 HydrophobicContact CD1-CB 4.44Å; L153-D292 HydrophobicContact CD1-CB 4.02Å |
| 154 | R | 96.1 | Very high | 96.6 | Very high | 5 Ų | 5 | 14.4 Ų | 14.4 | 2% | 0.019 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.3 | -46.9 | 174.1 | -174.2 | -158.4 | 64 | 91.4 | 3.8 | 110.8 | F77 D79 R150 E151 E157 T158 Y340 Y344 Y345 | F77-R154 PolarHBondContact O-NH1 2.79Å; F77-R154 PolarHBondContact O-NH2 3.16Å; D79-R154 IonicContact OD1-NH1 2.78Å; D79-R154 PolarHBondContact OD1-NH1 3.21Å; D79-R154 VanDerWaalsContact OD1-NH1 3.08Å; D79-R154 IonicContact OD2-NH1 3.21Å; R150-R154 PolarHBondContact O-N 3.13Å; E151-R154 WeakPolarHBondContact O-CB 3.05Å; E151-R154 PolarHBondContact O-N 3.05Å; E151-R154 VanDerWaalsContact O-N 3.17Å; E151-R154 IonicContact OE1-CZ 3.7Å; E151-R154 IonicContact OE1-NE 2.74Å; E151-R154 IonicContact OE1-NH2 3.79Å; E151-R154 PolarHBondContact OE1-NH2 3.4Å; E151-R154 IonicContact OE2-CZ 3.36Å; E151-R154 IonicContact OE2-NE 3.36Å; E151-R154 PolarHBondContact OE2-NE 3.25Å; E151-R154 IonicContact OE2-NH2 2.7Å; E151-R154 PolarHBondContact OE2-NH2 3.08Å; R154-E157 PolarHBondContact O-N 3.3Å; R154-T158 WeakPolarHBondContact O-CB 3.4Å; R154-T158 PolarHBondContact O-N 2.74Å; R154-T158 PolarHBondContact O-OG1 3.07Å; R154-Y340 HydrophobicContact CB-CD1 4.21Å; R154-Y340 HydrophobicContact CB-CE1 4.05Å; R154-Y340 HydrophobicContact CG-CD1 4.4Å; R154-Y340 HydrophobicContact CG-CE1 4.36Å; R154-Y344 HydrophobicContact CG-CD1 4.2Å; R154-Y344 HydrophobicContact CG-CG 4.12Å; R154-Y345 HydrophobicContact CB-CE1 4.43Å |
| 155 | R | 95.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 17.2 Ų | 17.2 | 3% | 0.03 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 177.4 | -65.7 | -177 | -173.7 | -130.5 | -8.5 | 111.6 | F77 D78 F127 E151 Y152 T158 A159 F327 | F77-R155 HydrophobicContact CB-CB 4.15Å; F77-R155 HydrophobicContact CB-CG 3.92Å; F77-R155 HydrophobicContact CG-CB 4.45Å; D78-R155 IonicContact OD1-CZ 2.79Å; D78-R155 IonicContact OD1-NH1 3.77Å; D78-R155 PolarHBondContact OD1-NH1 2.65Å; D78-R155 IonicContact OD1-NH2 3.68Å; D78-R155 PolarHBondContact OD1-NH2 3.4Å; F127-R155 HydrophobicContact CE1-CB 3.86Å; F127-R155 HydrophobicContact CZ-CB 4.43Å; E151-R155 PolarHBondContact O-N 3.1Å; E151-R155 IonicContact OE1-CZ 3.02Å; E151-R155 VanDerWaalsContact OE1-CZ 3.28Å; E151-R155 IonicContact OE1-NE 3.37Å; E151-R155 PolarHBondContact OE1-NE 3.11Å; E151-R155 IonicContact OE1-NH2 3.22Å; E151-R155 PolarHBondContact OE1-NH2 3Å; Y152-R155 PolarHBondContact O-N 3.41Å; R155-T158 PolarHBondContact O-N 3.36Å; R155-A159 PolarHBondContact O-N 3.19Å; R155-F327 VanDerWaalsContact CZ-CD1 3.41Å; R155-F327 VanDerWaalsContact NE-CD1 3.34Å |
| 156 | F | 97.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 0% | 0.004 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.5 | -46.6 | 177.1 | -175.1 | -95.7 | 0 | 0 | 0 | 112.2 | L110 M113 Y124 F127 Y152 L153 T158 A159 M160 L169 Y285 | L110-F156 HydrophobicContact CD2-CE1 3.93Å; L110-F156 HydrophobicContact CD2-CZ 3.54Å; M113-F156 HydrophobicContact CE-CD2 4.17Å; M113-F156 HydrophobicContact CE-CE2 3.92Å; Y124-F156 AromaticContact CD2-CE2 3.99Å; Y124-F156 HydrophobicContact CD2-CE2 3.99Å; Y124-F156 HydrophobicContact CD2-CZ 4.08Å; Y124-F156 HydrophobicContact CE2-CE2 4.02Å; Y124-F156 AromaticContact CE2-CZ 3.82Å; Y124-F156 HydrophobicContact CE2-CZ 3.82Å; F127-F156 HydrophobicContact CB-CD2 3.87Å; F127-F156 HydrophobicContact CB-CE2 4.31Å; F127-F156 HydrophobicContact CD1-CB 4.06Å; F127-F156 AromaticContact CD1-CD2 3.95Å; F127-F156 HydrophobicContact CD1-CD2 3.95Å; F127-F156 AromaticContact CD2-CD2 3.82Å; F127-F156 HydrophobicContact CD2-CD2 3.82Å; F127-F156 HydrophobicContact CD2-CE2 4.38Å; F127-F156 HydrophobicContact CE1-CB 4.03Å; F127-F156 HydrophobicContact CE1-CD2 4.46Å; F127-F156 HydrophobicContact CE2-CD2 4.34Å; F127-F156 AromaticContact CG-CD2 3.62Å; F127-F156 HydrophobicContact CG-CD2 3.62Å; F127-F156 HydrophobicContact CG-CE2 4.37Å; Y152-F156 WeakPolarHBondContact O-CB 3.31Å; Y152-F156 PolarHBondContact O-N 3.11Å; L153-F156 PolarHBondContact O-N 3.02Å; F156-T158 PolarHBondContact O-N 2.92Å; F156-A159 WeakPolarHBondContact O-CB 3.29Å; F156-A159 PolarHBondContact O-N 3.46Å; F156-M160 HydrophobicContact CD1-CE 3.91Å; F156-M160 HydrophobicContact CD1-SD 4.49Å; F156-M160 HydrophobicContact CE1-CE 3.84Å; F156-M160 HydrophobicContact CE1-CG 4.44Å; F156-M160 HydrophobicContact CE1-SD 3.93Å; F156-M160 PolarHBondContact O-N 3.32Å; F156-M160 VanDerWaalsContact O-N 3.15Å; F156-L169 HydrophobicContact CD1-CD1 4.3Å; F156-L169 HydrophobicContact CD1-CD2 4.45Å; F156-L169 HydrophobicContact CE1-CD1 4.15Å; F156-Y285 HydrophobicContact CB-CD1 4.42Å; F156-Y285 HydrophobicContact CB-CE1 4.45Å; F156-Y285 AromaticContact CD1-CD1 3.72Å; F156-Y285 HydrophobicContact CD1-CD1 3.72Å; F156-Y285 HydrophobicContact CD1-CE1 4.24Å; F156-Y285 HydrophobicContact CD1-CG 4.18Å; F156-Y285 AromaticContact CD2-CD1 3.66Å; F156-Y285 HydrophobicContact CD2-CD1 3.66Å; F156-Y285 AromaticContact CD2-CE1 3.29Å; F156-Y285 HydrophobicContact CD2-CE1 3.29Å; F156-Y285 HydrophobicContact CD2-CG 4.45Å; F156-Y285 AromaticContact CD2-CZ 3.85Å; F156-Y285 AromaticContact CE1-CD1 3.77Å; F156-Y285 HydrophobicContact CE1-CD1 3.77Å; F156-Y285 HydrophobicContact CE1-CD2 4.34Å; F156-Y285 HydrophobicContact CE1-CE1 4.31Å; F156-Y285 AromaticContact CE1-CG 3.77Å; F156-Y285 HydrophobicContact CE1-CG 3.77Å; F156-Y285 AromaticContact CE2-CD1 3.7Å; F156-Y285 HydrophobicContact CE2-CD1 3.7Å; F156-Y285 HydrophobicContact CE2-CD2 4.16Å; F156-Y285 AromaticContact CE2-CE1 3.37Å; F156-Y285 HydrophobicContact CE2-CE1 3.37Å; F156-Y285 AromaticContact CE2-CE2 3.89Å; F156-Y285 HydrophobicContact CE2-CE2 3.89Å; F156-Y285 HydrophobicContact CE2-CG 4.08Å; F156-Y285 AromaticContact CE2-CZ 3.49Å; F156-Y285 VanDerWaalsContact CE2-CZ 3.49Å; F156-Y285 AromaticContact CG-CD1 3.66Å; F156-Y285 HydrophobicContact CG-CD1 3.66Å; F156-Y285 AromaticContact CG-CE1 3.75Å; F156-Y285 HydrophobicContact CG-CE1 3.75Å; F156-Y285 HydrophobicContact CG-CG 4.49Å; F156-Y285 AromaticContact CZ-CD1 3.74Å; F156-Y285 HydrophobicContact CZ-CD1 3.74Å; F156-Y285 AromaticContact CZ-CD2 3.84Å; F156-Y285 HydrophobicContact CZ-CD2 3.84Å; F156-Y285 AromaticContact CZ-CE1 3.9Å; F156-Y285 HydrophobicContact CZ-CE1 3.9Å; F156-Y285 HydrophobicContact CZ-CE2 4.02Å; F156-Y285 AromaticContact CZ-CG 3.71Å; F156-Y285 HydrophobicContact CZ-CG 3.71Å |
| 157 | E | 96.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 2% | 0.023 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.3 | -40.1 | 175.6 | -175.3 | 170.8 | -132.7 | 0 | 0 | 111.5 | R92 L153 R154 A159 M160 R161 S168 L169 | R92-E157 IonicContact CZ-OE2 3.35Å; R92-E157 IonicContact NE-OE1 3.02Å; R92-E157 PolarHBondContact NE-OE1 3.1Å; R92-E157 IonicContact NE-OE2 2.97Å; R92-E157 PolarHBondContact NE-OE2 3.48Å; R92-E157 VanDerWaalsContact NE-OE2 3.08Å; R92-E157 IonicContact NH2-OE2 2.8Å; R92-E157 PolarHBondContact NH2-OE2 3.36Å; L153-E157 VanDerWaalsContact O-CB 3.31Å; L153-E157 WeakPolarHBondContact O-CB 3.28Å; L153-E157 PolarHBondContact O-N 3.48Å; R154-E157 PolarHBondContact O-N 3.3Å; E157-A159 VanDerWaalsContact C-N 3.3Å; E157-A159 PolarHBondContact O-N 3.31Å; E157-M160 HydrophobicContact CB-CE 4.38Å; E157-M160 HydrophobicContact CG-CE 4.48Å; E157-M160 PolarHBondContact O-N 3.08Å; E157-R161 HydrophobicContact CG-CG 4.31Å; E157-R161 WeakPolarHBondContact O-CB 3.18Å; E157-R161 VanDerWaalsContact O-CG 3.24Å; E157-R161 WeakPolarHBondContact O-CG 3.25Å; E157-R161 PolarHBondContact O-N 3.25Å; E157-S168 WeakPolarHBondContact OE1-CA 3.34Å; E157-L169 HydrophobicContact CB-CB 4.25Å; E157-L169 HydrophobicContact CG-CB 4.15Å; E157-L169 PolarHBondContact OE1-N 3.37Å |
| 158 | T | 94.5 | Very high | 96.2 | Very high | 27 Ų | 27 | 23.9 Ų | 23.9 | 17% | 0.166 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.2 | -38.9 | 174.9 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | F77 R154 R155 F156 R161 R162 | F77-T158 HydrophobicContact CD1-CG2 3.87Å; F77-T158 HydrophobicContact CE1-CG2 4.42Å; R154-T158 WeakPolarHBondContact O-CB 3.4Å; R154-T158 PolarHBondContact O-N 2.74Å; R154-T158 PolarHBondContact O-OG1 3.07Å; R155-T158 PolarHBondContact O-N 3.36Å; F156-T158 PolarHBondContact O-N 2.92Å; T158-R161 PolarHBondContact O-N 3.24Å; T158-R162 WeakPolarHBondContact O-CG 3.11Å; T158-R162 PolarHBondContact O-N 3.38Å |
| 159 | A | 95.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 3% | 0.033 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F77 M113 F127 R155 F156 E157 R161 R162 | F77-A159 HydrophobicContact CE1-CB 3.76Å; F77-A159 HydrophobicContact CE2-CB 4.37Å; F77-A159 HydrophobicContact CZ-CB 3.55Å; M113-A159 HydrophobicContact CE-CB 3.79Å; M113-A159 HydrophobicContact SD-CB 4.18Å; F127-A159 HydrophobicContact CE2-CB 3.64Å; F127-A159 HydrophobicContact CZ-CB 3.73Å; R155-A159 PolarHBondContact O-N 3.19Å; F156-A159 WeakPolarHBondContact O-CB 3.29Å; F156-A159 PolarHBondContact O-N 3.46Å; E157-A159 VanDerWaalsContact C-N 3.3Å; E157-A159 PolarHBondContact O-N 3.31Å; A159-R161 VanDerWaalsContact C-N 3.33Å; A159-R161 PolarHBondContact O-N 3.34Å; A159-R162 PolarHBondContact O-N 3.04Å |
| 160 | M | 96.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.4 | -42.5 | 172.4 | -68.3 | -169.8 | -67.2 | 0 | 0 | 111.6 | F106 C109 L110 M113 F156 E157 R162 I163 D164 L169 | F106-M160 HydrophobicContact CD2-CE 4.45Å; F106-M160 HydrophobicContact CD2-SD 3.85Å; F106-M160 HydrophobicContact CE2-CE 4.1Å; F106-M160 HydrophobicContact CE2-SD 3.61Å; C109-M160 HydrophobicContact CB-CB 4.23Å; C109-M160 HydrophobicContact CB-CG 4.38Å; L110-M160 HydrophobicContact CD2-CG 4Å; L110-M160 HydrophobicContact CD2-SD 3.47Å; L110-M160 WeakPolarHBondContact CD2-SD 3.26Å; L110-M160 HydrophobicContact CG-SD 3.98Å; M113-M160 HydrophobicContact SD-CB 4.34Å; M113-M160 HydrophobicContact SD-CG 3.46Å; M113-M160 WeakPolarHBondContact SD-CG 3.23Å; F156-M160 HydrophobicContact CD1-CE 3.91Å; F156-M160 HydrophobicContact CD1-SD 4.49Å; F156-M160 HydrophobicContact CE1-CE 3.84Å; F156-M160 HydrophobicContact CE1-CG 4.44Å; F156-M160 HydrophobicContact CE1-SD 3.93Å; F156-M160 PolarHBondContact O-N 3.32Å; F156-M160 VanDerWaalsContact O-N 3.15Å; E157-M160 HydrophobicContact CB-CE 4.38Å; E157-M160 HydrophobicContact CG-CE 4.48Å; E157-M160 PolarHBondContact O-N 3.08Å; M160-R162 VanDerWaalsContact C-N 3.3Å; M160-R162 PolarHBondContact O-N 3.3Å; M160-I163 WeakPolarHBondContact O-CA 3.18Å; M160-I163 VanDerWaalsContact O-CB 3.32Å; M160-I163 WeakPolarHBondContact O-CB 3.4Å; M160-I163 PolarHBondContact O-N 3.11Å; M160-D164 PolarHBondContact O-N 3.37Å; M160-L169 HydrophobicContact CE-CB 3.79Å; M160-L169 HydrophobicContact CE-CD1 3.86Å; M160-L169 HydrophobicContact CE-CG 4.37Å |
| 161 | R | 94.8 | Very high | 96.2 | Very high | 21 Ų | 21 | 23.7 Ų | 23.7 | 8% | 0.079 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -73.5 | -18.7 | -175.2 | -68.8 | -175.5 | 76.8 | -165.8 | 6.2 | 114.7 | F87 P88 E157 T158 A159 I163 D164 S165 V167 | F87-R161 VanDerWaalsContact CB-NH2 3.33Å; F87-R161 HydrophobicContact CD2-CB 3.83Å; F87-R161 HydrophobicContact CE2-CB 3.78Å; F87-R161 HydrophobicContact CZ-CB 4.44Å; F87-R161 VanDerWaalsContact CZ-O 3.25Å; F87-R161 WeakPolarHBondContact CZ-O 3.29Å; P88-R161 PolarHBondContact O-NH1 3.05Å; P88-R161 PolarHBondContact O-NH2 2.9Å; E157-R161 HydrophobicContact CG-CG 4.31Å; E157-R161 WeakPolarHBondContact O-CB 3.18Å; E157-R161 VanDerWaalsContact O-CG 3.24Å; E157-R161 WeakPolarHBondContact O-CG 3.25Å; E157-R161 PolarHBondContact O-N 3.25Å; T158-R161 PolarHBondContact O-N 3.24Å; A159-R161 VanDerWaalsContact C-N 3.33Å; A159-R161 PolarHBondContact O-N 3.34Å; R161-I163 PolarHBondContact O-N 3.42Å; R161-D164 WeakPolarHBondContact CA-O 3.19Å; R161-D164 CarbonylContact O-C 3.42Å; R161-S165 PolarHBondContact NE-O 3.45Å; R161-S165 PolarHBondContact NH2-O 3.44Å; R161-S165 VanDerWaalsContact O-CA 3.31Å; R161-S165 WeakPolarHBondContact O-CA 3.39Å; R161-S165 PolarHBondContact O-N 3.06Å; R161-V167 VanDerWaalsContact CD-O 3.29Å; R161-V167 WeakPolarHBondContact CD-O 3.19Å; R161-V167 WeakPolarHBondContact CG-O 3.48Å; R161-V167 PolarHBondContact NE-O 3.34Å |
| 162 | R | 93.3 | Very high | 96.3 | Very high | 108 Ų | 108 | 23.5 Ų | 23.5 | 41% | 0.408 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -21.1 | 165.8 | -75.7 | -179.1 | 178.9 | 177 | -3.8 | 113.1 | S76 F77 F87 T158 A159 M160 | S76-R162 PolarHBondContact O-NH2 3.23Å; S76-R162 PolarHBondContact OG-NH1 2.92Å; F77-R162 VanDerWaalsContact CE1-NH1 3.25Å; F87-R162 HydrophobicContact CE2-CG 4.34Å; F87-R162 HydrophobicContact CZ-CG 4.34Å; T158-R162 WeakPolarHBondContact O-CG 3.11Å; T158-R162 PolarHBondContact O-N 3.38Å; A159-R162 PolarHBondContact O-N 3.04Å; M160-R162 VanDerWaalsContact C-N 3.3Å; M160-R162 PolarHBondContact O-N 3.3Å |
| 163 | I | 94.4 | Very high | 96.2 | Very high | 66 Ų | 66 | 23.8 Ų | 23.8 | 34% | 0.338 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -50.3 | 175.4 | -58.4 | 167.3 | 0 | 0 | 0 | 109.5 | R112 M113 M160 R161 | R112-I163 HydrophobicContact CB-CD1 4.02Å; R112-I163 HydrophobicContact CB-CG2 4.27Å; R112-I163 HydrophobicContact CG-CD1 3.89Å; R112-I163 HydrophobicContact CG-CG1 4.42Å; R112-I163 HydrophobicContact CG-CG2 4.02Å; M113-I163 HydrophobicContact CG-CD1 3.55Å; M160-I163 WeakPolarHBondContact O-CA 3.18Å; M160-I163 VanDerWaalsContact O-CB 3.32Å; M160-I163 WeakPolarHBondContact O-CB 3.4Å; M160-I163 PolarHBondContact O-N 3.11Å; R161-I163 PolarHBondContact O-N 3.42Å |
| 164 | D | 94.9 | Very high | 96 | Very high | 48 Ų | 48 | 23.8 Ų | 23.8 | 26% | 0.257 | 13% | 0.128 | S | C | . | . | trans | -139.3 | 109.5 | 174.3 | -174.7 | -21.9 | 0 | 0 | 0 | 110.1 | C109 M160 R161 T166 V167 | C109-D164 WeakPolarHBondContact SG-CB 3.22Å; M160-D164 PolarHBondContact O-N 3.37Å; R161-D164 WeakPolarHBondContact CA-O 3.19Å; R161-D164 CarbonylContact O-C 3.42Å; D164-T166 PolarHBondContact O-N 2.63Å; D164-T166 VanDerWaalsContact O-N 3.15Å; D164-T166 WeakPolarHBondContact OD1-CB 3.37Å; D164-T166 PolarHBondContact OD1-N 3.5Å; D164-T166 PolarHBondContact OD1-OG1 2.89Å; D164-T166 PolarHBondContact OD2-OG1 3.2Å; D164-V167 HydrophobicContact CB-CG2 3.86Å; D164-V167 PolarHBondContact O-N 3.15Å | ||
| 165 | S | 94 | Very high | 95.8 | Very high | 58 Ų | 58 | 24 Ų | 24 | 41% | 0.406 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -13.2 | -175.4 | 62.9 | 0 | 0 | 0 | 0 | 114.1 | R161 | R161-S165 PolarHBondContact NE-O 3.45Å; R161-S165 PolarHBondContact NH2-O 3.44Å; R161-S165 VanDerWaalsContact O-CA 3.31Å; R161-S165 WeakPolarHBondContact O-CA 3.39Å; R161-S165 PolarHBondContact O-N 3.06Å |
| 166 | T | 94.5 | Very high | 95.6 | Very high | 114 Ų | 114 | 24.2 Ų | 24.2 | 70% | 0.699 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -15.2 | 178.1 | 73.5 | 0 | 0 | 0 | 0 | 113.3 | D164 | D164-T166 PolarHBondContact O-N 2.63Å; D164-T166 VanDerWaalsContact O-N 3.15Å; D164-T166 WeakPolarHBondContact OD1-CB 3.37Å; D164-T166 PolarHBondContact OD1-N 3.5Å; D164-T166 PolarHBondContact OD1-OG1 2.89Å; D164-T166 PolarHBondContact OD2-OG1 3.2Å |
| 167 | V | 97.1 | Very high | 95 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | trans | -76.3 | 144.3 | 179.9 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | A105 F106 R161 D164 | A105-V167 HydrophobicContact CB-CG2 3.7Å; F106-V167 HydrophobicContact CB-CG1 4.08Å; F106-V167 HydrophobicContact CD2-CG1 3.99Å; R161-V167 VanDerWaalsContact CD-O 3.29Å; R161-V167 WeakPolarHBondContact CD-O 3.19Å; R161-V167 WeakPolarHBondContact CG-O 3.48Å; R161-V167 PolarHBondContact NE-O 3.34Å; D164-V167 HydrophobicContact CB-CG2 3.86Å; D164-V167 PolarHBondContact O-N 3.15Å | ||
| 168 | S | 97.3 | Very high | 94 | Very high | 22 Ų | 22 | 26.1 Ų | 26.1 | 15% | 0.154 | 15% | 0.148 | C | C | . | . | trans | -120.8 | 156.4 | 165.6 | 62.5 | 0 | 0 | 0 | 0 | 110.1 | V91 E157 P170 | V91-S168 VanDerWaalsContact O-CB 3.25Å; V91-S168 WeakPolarHBondContact O-CB 3.35Å; V91-S168 PolarHBondContact O-OG 3.21Å; E157-S168 WeakPolarHBondContact OE1-CA 3.34Å; S168-P170 WeakPolarHBondContact O-CD 3.16Å | ||
| 169 | L | 98.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -74.3 | 111.4 | 170.7 | 177.7 | 61.6 | 0 | 0 | 0 | 109 | R92 F106 L153 F156 E157 M160 A289 | R92-L169 WeakPolarHBondContact CB-O 3.09Å; R92-L169 WeakPolarHBondContact CD-O 3.29Å; R92-L169 WeakPolarHBondContact CG-O 3.48Å; F106-L169 HydrophobicContact CE2-CD1 4.27Å; L153-L169 HydrophobicContact CB-CD2 4.22Å; L153-L169 HydrophobicContact CD2-CD2 3.72Å; L153-L169 HydrophobicContact CG-CD2 4.43Å; F156-L169 HydrophobicContact CD1-CD1 4.3Å; F156-L169 HydrophobicContact CD1-CD2 4.45Å; F156-L169 HydrophobicContact CE1-CD1 4.15Å; E157-L169 HydrophobicContact CB-CB 4.25Å; E157-L169 HydrophobicContact CG-CB 4.15Å; E157-L169 PolarHBondContact OE1-N 3.37Å; M160-L169 HydrophobicContact CE-CB 3.79Å; M160-L169 HydrophobicContact CE-CD1 3.86Å; M160-L169 HydrophobicContact CE-CG 4.37Å; L169-A289 HydrophobicContact CD2-CB 3.97Å; L169-A289 HydrophobicContact CG-CB 4.1Å | ||
| 170 | P | 98.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -69.1 | 156 | 172.4 | 29.8 | -34.3 | 0 | 0 | 0 | 110.8 | R93 Y95 L98 F106 S168 M286 | R93-P170 CarbonylContact O-C 3.53Å; R93-P170 WeakPolarHBondContact O-CA 3.45Å; R93-P170 WeakPolarHBondContact O-CB 3.49Å; Y95-P170 HydrophobicContact CD2-CB 4.15Å; Y95-P170 HydrophobicContact CD2-CG 3.83Å; L98-P170 HydrophobicContact CD1-CB 3.94Å; L98-P170 HydrophobicContact CD1-CG 4.04Å; L98-P170 HydrophobicContact CG-CB 4.38Å; F106-P170 HydrophobicContact CD1-CG 4.14Å; F106-P170 HydrophobicContact CD2-CG 4.35Å; F106-P170 HydrophobicContact CE1-CG 3.85Å; F106-P170 VanDerWaalsContact CE2-CD 3.43Å; F106-P170 HydrophobicContact CE2-CG 4.06Å; F106-P170 HydrophobicContact CG-CG 4.39Å; F106-P170 HydrophobicContact CZ-CG 3.79Å; S168-P170 WeakPolarHBondContact O-CD 3.16Å; P170-M286 HydrophobicContact CG-CE 4.13Å; P170-M286 HydrophobicContact CG-CG 4.32Å | ||
| 171 | Y | 98.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -101.2 | 154.6 | 165 | 63.5 | -99.1 | 0 | 0 | 0 | 110.6 | R92 R93 E94 Y95 D173 M286 Y290 Y293 Y347 S348 K349 S350 | R92-Y171 HydrophobicContact CB-CD1 4.46Å; R93-Y171 VanDerWaalsContact C-CD1 3.47Å; R93-Y171 WeakPolarHBondContact O-CD1 3.48Å; R93-Y171 PolarHBondContact O-N 2.54Å; E94-Y171 CarbonylContact C-O 3.35Å; E94-Y171 WeakPolarHBondContact CA-O 3.42Å; E94-Y171 HydrophobicContact CB-CD2 4.22Å; E94-Y171 HydrophobicContact CB-CE2 3.54Å; E94-Y171 HydrophobicContact CG-CD2 4.09Å; E94-Y171 HydrophobicContact CG-CE2 3.61Å; E94-Y171 VanDerWaalsContact N-CE1 3.35Å; E94-Y171 PolarHBondContact N-OH 3.34Å; Y95-Y171 PolarHBondContact N-O 3.25Å; Y171-D173 HydrophobicContact CD2-CB 4.48Å; Y171-D173 HydrophobicContact CE2-CB 4.36Å; Y171-M286 WeakPolarHBondContact CA-O 3.15Å; Y171-Y290 AromaticContact CD2-CD2 4Å; Y171-Y290 HydrophobicContact CD2-CD2 4Å; Y171-Y293 HydrophobicContact CE1-CD1 4.5Å; Y171-Y293 HydrophobicContact CE2-CD1 4.37Å; Y171-Y347 AromaticContact CD1-CD1 3.81Å; Y171-Y347 HydrophobicContact CD1-CD1 3.81Å; Y171-Y347 HydrophobicContact CD1-CE1 4.17Å; Y171-Y347 HydrophobicContact CE1-CD1 4.11Å; Y171-S348 WeakPolarHBondContact CE1-O 3.25Å; Y171-S348 PolarHBondContact OH-O 2.92Å; Y171-K349 PolarHBondContact OH-O 2.65Å; Y171-K349 VanDerWaalsContact OH-O 3.1Å; Y171-S350 VanDerWaalsContact OH-CA 3.25Å; Y171-S350 WeakPolarHBondContact OH-CA 3.37Å; Y171-S350 PolarHBondContact OH-N 3.45Å; Y171-S350 VanDerWaalsContact OH-N 3.11Å |
| 172 | W | 97.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -109.6 | 116.5 | 171.7 | 164.3 | 51.3 | 0 | 0 | 0 | 108.4 | P174 E177 L188 M230 T264 V268 L283 M286 L287 Y290 | W172-P174 HydrophobicContact CH2-CB 4.48Å; W172-P174 HydrophobicContact CZ2-CB 4.41Å; W172-P174 WeakPolarHBondContact O-CD 3.46Å; W172-E177 HydrophobicContact CZ2-CG 4.06Å; W172-L188 HydrophobicContact CZ2-CD2 4.31Å; W172-L188 VanDerWaalsContact NE1-CD2 3.26Å; W172-M230 HydrophobicContact CH2-CE 3.49Å; W172-M230 VanDerWaalsContact CH2-CE 3.49Å; W172-M230 HydrophobicContact CH2-SD 4.31Å; W172-M230 HydrophobicContact CZ2-CE 3.25Å; W172-M230 HydrophobicContact CZ2-SD 4.5Å; W172-T264 HydrophobicContact CH2-CG2 4.14Å; W172-T264 HydrophobicContact CZ3-CG2 4.1Å; W172-V268 HydrophobicContact CH2-CG2 3.72Å; W172-V268 HydrophobicContact CZ3-CG2 4.11Å; W172-L283 HydrophobicContact CB-CD1 3.91Å; W172-L283 HydrophobicContact CD2-CD1 3.61Å; W172-L283 HydrophobicContact CD2-CD2 4.33Å; W172-L283 HydrophobicContact CD2-CG 4.06Å; W172-L283 HydrophobicContact CE3-CD1 3.7Å; W172-L283 HydrophobicContact CE3-CD2 3.99Å; W172-L283 HydrophobicContact CE3-CG 3.64Å; W172-L283 HydrophobicContact CG-CD1 3.71Å; W172-L283 HydrophobicContact CH2-CD2 3.97Å; W172-L283 HydrophobicContact CZ2-CD2 4.29Å; W172-L283 HydrophobicContact CZ3-CD1 4.39Å; W172-L283 HydrophobicContact CZ3-CD2 3.82Å; W172-L283 HydrophobicContact CZ3-CG 3.91Å; W172-M286 HydrophobicContact CB-CB 3.67Å; W172-M286 PolarHBondContact N-O 2.85Å; W172-L287 HydrophobicContact CE3-CB 3.92Å; W172-L287 HydrophobicContact CE3-CD1 3.93Å; W172-L287 HydrophobicContact CE3-CG 4.39Å; W172-L287 HydrophobicContact CZ3-CB 4.25Å; W172-L287 HydrophobicContact CZ3-CD1 3.95Å; W172-L287 HydrophobicContact CZ3-CD2 4.25Å; W172-L287 HydrophobicContact CZ3-CG 4.37Å; W172-Y290 WeakPolarHBondContact O-CB 3.47Å | ||
| 173 | D | 95.7 | Very high | 90.2 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | trans | -84.2 | 107.3 | 176.7 | -173.1 | -19.8 | 0 | 0 | 0 | 110.5 | E94 R96 Y171 T175 I176 Y290 S350 | E94-D173 HydrophobicContact CG-CB 3.92Å; E94-D173 PolarHBondContact OE1-N 3.32Å; R96-D173 PolarHBondContact NH2-O 3.31Å; Y171-D173 HydrophobicContact CD2-CB 4.48Å; Y171-D173 HydrophobicContact CE2-CB 4.36Å; D173-T175 VanDerWaalsContact CG-OG1 3.27Å; D173-T175 PolarHBondContact O-N 3.4Å; D173-T175 VanDerWaalsContact OD1-CB 3.25Å; D173-T175 WeakPolarHBondContact OD1-CB 3.33Å; D173-T175 VanDerWaalsContact OD1-CG2 3.31Å; D173-T175 WeakPolarHBondContact OD1-CG2 3.31Å; D173-T175 PolarHBondContact OD1-N 3.45Å; D173-T175 PolarHBondContact OD1-OG1 3.24Å; D173-T175 PolarHBondContact OD2-OG1 2.95Å; D173-I176 HydrophobicContact CB-CD1 3.89Å; D173-I176 HydrophobicContact CB-CG1 4.02Å; D173-I176 PolarHBondContact O-N 3.41Å; D173-Y290 HydrophobicContact CB-CD2 4.02Å; D173-Y290 HydrophobicContact CB-CE2 3.89Å; D173-Y290 VanDerWaalsContact CG-CE2 3.46Å; D173-S350 WeakPolarHBondContact OD2-CB 3.29Å; D173-S350 PolarHBondContact OD2-OG 2.87Å | ||
| 174 | P | 94.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -69.5 | -19.5 | -179.7 | 30.5 | -36.4 | 0 | 0 | 0 | 113 | W172 I176 E177 A178 M230 F232 T264 L287 Y290 | W172-P174 HydrophobicContact CH2-CB 4.48Å; W172-P174 HydrophobicContact CZ2-CB 4.41Å; W172-P174 WeakPolarHBondContact O-CD 3.46Å; P174-I176 PolarHBondContact O-N 3.5Å; P174-E177 PolarHBondContact O-N 2.9Å; P174-E177 VanDerWaalsContact O-N 3.1Å; P174-A178 PolarHBondContact O-N 2.77Å; P174-A178 VanDerWaalsContact O-N 3.08Å; P174-M230 HydrophobicContact CB-CE 4.28Å; P174-M230 HydrophobicContact CB-SD 3.94Å; P174-F232 HydrophobicContact CB-CD2 4.49Å; P174-F232 HydrophobicContact CG-CB 3.86Å; P174-F232 HydrophobicContact CG-CD2 3.61Å; P174-F232 HydrophobicContact CG-CG 4.02Å; P174-T264 HydrophobicContact CB-CG2 3.94Å; P174-T264 HydrophobicContact CG-CG2 4.47Å; P174-L287 HydrophobicContact CG-CD1 4.38Å; P174-Y290 VanDerWaalsContact CD-CD1 3.43Å; P174-Y290 VanDerWaalsContact CD-CE1 3.46Å; P174-Y290 HydrophobicContact CG-CD1 3.93Å; P174-Y290 HydrophobicContact CG-CE1 3.73Å |
| 175 | T | 92.2 | Very high | 89.7 | Confident | 10 Ų | 10 | 36.1 Ų | 36.1 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -66.4 | -22.4 | 178.5 | 73 | 0 | 0 | 0 | 0 | 112.2 | D173 F232 L237 | D173-T175 VanDerWaalsContact CG-OG1 3.27Å; D173-T175 PolarHBondContact O-N 3.4Å; D173-T175 VanDerWaalsContact OD1-CB 3.25Å; D173-T175 WeakPolarHBondContact OD1-CB 3.33Å; D173-T175 VanDerWaalsContact OD1-CG2 3.31Å; D173-T175 WeakPolarHBondContact OD1-CG2 3.31Å; D173-T175 PolarHBondContact OD1-N 3.45Å; D173-T175 PolarHBondContact OD1-OG1 3.24Å; D173-T175 PolarHBondContact OD2-OG1 2.95Å; T175-F232 HydrophobicContact CG2-CB 4.38Å; T175-F232 WeakPolarHBondContact CG2-O 3.17Å; T175-L237 HydrophobicContact CG2-CD1 3.68Å |
| 176 | I | 91.1 | Very high | 89.6 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -74.4 | -32.2 | 176.1 | -57.6 | -178 | 0 | 0 | 0 | 110.8 | E94 D173 P174 L365 | E94-I176 HydrophobicContact CG-CD1 4.06Å; D173-I176 HydrophobicContact CB-CD1 3.89Å; D173-I176 HydrophobicContact CB-CG1 4.02Å; D173-I176 PolarHBondContact O-N 3.41Å; P174-I176 PolarHBondContact O-N 3.5Å; I176-L365 HydrophobicContact CD1-CD2 4.48Å; I176-L365 HydrophobicContact CG2-CD2 4.49Å |
| 177 | E | 85.4 | Confident | 89.6 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.009 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -21.9 | 178.8 | -60.9 | -62.2 | 113.7 | 0 | 0 | 113 | R96 W172 P174 R179 L180 S186 L188 W189 M230 | R96-E177 IonicContact CZ-OE1 3.51Å; R96-E177 IonicContact NH1-OE1 3.28Å; R96-E177 PolarHBondContact NH1-OE1 3.45Å; W172-E177 HydrophobicContact CZ2-CG 4.06Å; P174-E177 PolarHBondContact O-N 2.9Å; P174-E177 VanDerWaalsContact O-N 3.1Å; E177-R179 PolarHBondContact O-N 2.75Å; E177-L180 HydrophobicContact CB-CD1 4.17Å; E177-L180 PolarHBondContact O-N 3.08Å; E177-L180 VanDerWaalsContact O-N 3.09Å; E177-L180 WeakPolarHBondContact OE2-CD1 3.36Å; E177-S186 PolarHBondContact OE1-OG 3.5Å; E177-S186 WeakPolarHBondContact OE2-CB 3.21Å; E177-S186 PolarHBondContact OE2-OG 3.39Å; E177-S186 VanDerWaalsContact OE2-OG 3.14Å; E177-L188 HydrophobicContact CG-CD2 3.78Å; E177-W189 PolarHBondContact OE2-NE1 2.88Å; E177-M230 HydrophobicContact CB-CE 3.51Å; E177-M230 HydrophobicContact CG-CE 4.12Å |
| 178 | A | 75.8 | Confident | 89.5 | Confident | 44 Ų | 44 | 27.6 Ų | 27.6 | 36% | 0.364 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -9.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | P174 M230 | P174-A178 PolarHBondContact O-N 2.77Å; P174-A178 VanDerWaalsContact O-N 3.08Å; A178-M230 HydrophobicContact CB-CB 3.72Å; A178-M230 HydrophobicContact CB-CG 4.3Å |
| 179 | R | 71.1 | Confident | 89.3 | Confident | 132 Ų | 132 | 27.3 Ų | 27.3 | 50% | 0.498 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 5.8 | -177.6 | -64.7 | -172.8 | 178.1 | 73.4 | 5.2 | 114.6 | E177 D234 | E177-R179 PolarHBondContact O-N 2.75Å; R179-D234 IonicContact NH2-OD2 3.06Å; R179-D234 PolarHBondContact NH2-OD2 2.87Å |
| 180 | L | 74.1 | Confident | 89 | Confident | 42 Ų | 42 | 28.3 Ų | 28.3 | 22% | 0.22 | 15% | 0.149 | C | C | . | . | trans | -78.7 | 131.1 | 177.8 | -63.1 | 164.1 | 0 | 0 | 0 | 110.4 | E177 L378 | E177-L180 HydrophobicContact CB-CD1 4.17Å; E177-L180 PolarHBondContact O-N 3.08Å; E177-L180 VanDerWaalsContact O-N 3.09Å; E177-L180 WeakPolarHBondContact OE2-CD1 3.36Å; L180-L378 HydrophobicContact CD2-CD2 3.9Å | ||
| 181 | E | 75.8 | Confident | 88.7 | Confident | 142 Ų | 142 | 31.7 Ų | 31.7 | 66% | 0.664 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -68.3 | -42.4 | 172.3 | -70.4 | -175.4 | -177.6 | 0 | 0 | 111.2 | K383 | E181-K383 IonicContact OE2-NZ 2.63Å; E181-K383 PolarHBondContact OE2-NZ 2.48Å |
| 182 | N | 86.9 | Confident | 88.3 | Confident | 76 Ų | 76 | 35.3 Ų | 35.3 | 41% | 0.406 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -125.4 | 140.9 | 176.5 | -47.2 | -76 | 0 | 0 | 0 | 110.3 | S184 D185 | N182-S184 VanDerWaalsContact C-N 3.32Å; N182-S184 PolarHBondContact O-N 3.2Å; N182-D185 WeakPolarHBondContact CB-OD2 3.41Å; N182-D185 PolarHBondContact ND2-OD2 3.32Å; N182-D185 WeakPolarHBondContact O-CB 3.41Å; N182-D185 PolarHBondContact O-N 2.74Å |
| 183 | C | 85.6 | Confident | 88.2 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -61 | -41.6 | 177.6 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | D185 S186 C197 Y198 L224 | C183-D185 PolarHBondContact O-N 3.25Å; C183-S186 PolarHBondContact O-N 2.84Å; C183-S186 VanDerWaalsContact O-N 3.14Å; C183-C197 HydrophobicContact CB-CB 3.65Å; C183-C197 WeakPolarHBondContact CB-SG 3.19Å; C183-C197 WeakPolarHBondContact SG-CB 3.49Å; C183-C197 CovalentContact SG-SG 2.07Å; C183-C197 PolarHBondContact SG-SG 3Å; C183-Y198 WeakPolarHBondContact SG-CE2 3.25Å; C183-Y198 PolarHBondContact SG-OH 3.08Å; C183-L224 HydrophobicContact CB-CB 3.97Å; C183-L224 HydrophobicContact CB-CD2 3.37Å; C183-L224 HydrophobicContact CB-CG 4.27Å |
| 184 | S | 87.1 | Confident | 88.1 | Confident | 66 Ų | 66 | 35 Ų | 35 | 46% | 0.462 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -59.9 | -17.6 | -177 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | N182 S186 V379 | N182-S184 VanDerWaalsContact C-N 3.32Å; N182-S184 PolarHBondContact O-N 3.2Å; S184-S186 VanDerWaalsContact C-N 3.33Å; S184-V379 WeakPolarHBondContact O-CG2 3.18Å |
| 185 | D | 91.6 | Very high | 88.1 | Confident | 18 Ų | 18 | 35 Ų | 35 | 10% | 0.096 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -71.3 | -29 | -178 | -65.2 | -18.8 | 0 | 0 | 0 | 111.5 | N182 C183 L378 V379 A382 | N182-D185 WeakPolarHBondContact CB-OD2 3.41Å; N182-D185 PolarHBondContact ND2-OD2 3.32Å; N182-D185 WeakPolarHBondContact O-CB 3.41Å; N182-D185 PolarHBondContact O-N 2.74Å; C183-D185 PolarHBondContact O-N 3.25Å; D185-L378 HydrophobicContact CB-CD2 4.15Å; D185-L378 CarbonylContact O-C 3.59Å; D185-L378 WeakPolarHBondContact O-CA 3.33Å; D185-V379 PolarHBondContact O-N 3.4Å; D185-A382 HydrophobicContact CB-CB 3.74Å; D185-A382 WeakPolarHBondContact OD1-CB 3.04Å |
| 186 | S | 92.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -83.2 | 136.8 | -179.1 | 169.3 | 0 | 0 | 0 | 0 | 113.3 | E177 C183 S184 L188 W189 | E177-S186 PolarHBondContact OE1-OG 3.5Å; E177-S186 WeakPolarHBondContact OE2-CB 3.21Å; E177-S186 PolarHBondContact OE2-OG 3.39Å; E177-S186 VanDerWaalsContact OE2-OG 3.14Å; C183-S186 PolarHBondContact O-N 2.84Å; C183-S186 VanDerWaalsContact O-N 3.14Å; S184-S186 VanDerWaalsContact C-N 3.33Å; S186-L188 PolarHBondContact O-N 3.38Å; S186-L188 VanDerWaalsContact O-N 3.09Å; S186-L188 VanDerWaalsContact OG-CB 3.31Å; S186-L188 WeakPolarHBondContact OG-CB 3.37Å; S186-L188 PolarHBondContact OG-N 2.94Å; S186-L188 VanDerWaalsContact OG-N 3.13Å; S186-W189 PolarHBondContact O-N 2.68Å |
| 187 | T | 93.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -55.8 | -22.7 | 171.1 | 46 | 0 | 0 | 0 | 0 | 113.5 | W189 S190 L193 H364 R377 V379 Y395 | T187-W189 PolarHBondContact O-N 2.71Å; T187-W189 VanDerWaalsContact O-N 3.14Å; T187-S190 WeakPolarHBondContact O-CB 3.37Å; T187-S190 PolarHBondContact O-N 3.06Å; T187-S190 PolarHBondContact O-OG 2.96Å; T187-L193 WeakPolarHBondContact O-CD1 3.44Å; T187-H364 PolarHBondContact OG1-O 3.17Å; T187-R377 WeakPolarHBondContact CB-O 3.24Å; T187-R377 HydrophobicContact CG2-CB 4.1Å; T187-R377 WeakPolarHBondContact CG2-O 3.29Å; T187-R377 PolarHBondContact N-O 3.02Å; T187-R377 PolarHBondContact OG1-O 3.01Å; T187-V379 HydrophobicContact CG2-CG1 4.24Å; T187-Y395 VanDerWaalsContact CG2-CB 3.41Å; T187-Y395 HydrophobicContact CG2-CD1 3.83Å; T187-Y395 HydrophobicContact CG2-CD2 4.29Å; T187-Y395 HydrophobicContact CG2-CG 3.59Å |
| 188 | L | 94.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -51.1 | -37 | 173.5 | -178.3 | 63.9 | 0 | 0 | 0 | 111.7 | Y95 W172 E177 S186 S190 L193 M194 | Y95-L188 HydrophobicContact CD1-CD1 3.78Å; Y95-L188 HydrophobicContact CE1-CD1 4.06Å; W172-L188 HydrophobicContact CZ2-CD2 4.31Å; W172-L188 VanDerWaalsContact NE1-CD2 3.26Å; E177-L188 HydrophobicContact CG-CD2 3.78Å; S186-L188 PolarHBondContact O-N 3.38Å; S186-L188 VanDerWaalsContact O-N 3.09Å; S186-L188 VanDerWaalsContact OG-CB 3.31Å; S186-L188 WeakPolarHBondContact OG-CB 3.37Å; S186-L188 PolarHBondContact OG-N 2.94Å; S186-L188 VanDerWaalsContact OG-N 3.13Å; L188-S190 VanDerWaalsContact C-N 3.33Å; L188-L193 VanDerWaalsContact O-CB 3.26Å; L188-L193 WeakPolarHBondContact O-CB 3.31Å; L188-M194 HydrophobicContact CD1-CG 3.67Å; L188-M194 HydrophobicContact CG-CG 4.19Å; L188-M194 VanDerWaalsContact O-CB 3.3Å; L188-M194 WeakPolarHBondContact O-CB 3.5Å; L188-M194 PolarHBondContact O-N 3.34Å |
| 189 | W | 93.8 | Very high | 89.4 | Confident | 16 Ų | 16 | 41.6 Ų | 41.6 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -93.5 | 11.6 | -177.3 | -48.2 | 98.4 | 0 | 0 | 0 | 113.3 | E177 S186 T187 M194 G195 C197 L224 W267 V268 L283 | E177-W189 PolarHBondContact OE2-NE1 2.88Å; S186-W189 PolarHBondContact O-N 2.68Å; T187-W189 PolarHBondContact O-N 2.71Å; T187-W189 VanDerWaalsContact O-N 3.14Å; W189-M194 HydrophobicContact CE3-CB 4.42Å; W189-M194 HydrophobicContact CZ3-CB 4.48Å; W189-G195 CarbonylContact C-O 3.57Å; W189-G195 VanDerWaalsContact CA-O 3.29Å; W189-G195 WeakPolarHBondContact CA-O 3.3Å; W189-G195 CarbonylContact O-C 3.51Å; W189-G195 VanDerWaalsContact O-O 3.12Å; W189-C197 HydrophobicContact CB-CB 4.34Å; W189-C197 HydrophobicContact CD2-CB 3.91Å; W189-C197 HydrophobicContact CE3-CB 4Å; W189-C197 HydrophobicContact CG-CB 4.04Å; W189-L224 HydrophobicContact CD2-CD2 4Å; W189-L224 VanDerWaalsContact CE2-CD2 3.49Å; W189-L224 HydrophobicContact CE3-CD2 4.29Å; W189-L224 HydrophobicContact CH2-CD1 4.08Å; W189-L224 HydrophobicContact CH2-CD2 3.64Å; W189-L224 HydrophobicContact CH2-CG 4.43Å; W189-L224 HydrophobicContact CZ2-CD2 3.32Å; W189-L224 HydrophobicContact CZ2-CG 4.49Å; W189-L224 HydrophobicContact CZ3-CD1 4.08Å; W189-L224 HydrophobicContact CZ3-CD2 4.12Å; W189-W267 HydrophobicContact CZ2-CH2 4.28Å; W189-W267 AromaticContact CZ2-CZ3 3.89Å; W189-W267 HydrophobicContact CZ2-CZ3 3.89Å; W189-V268 HydrophobicContact CH2-CG1 4.48Å; W189-L283 HydrophobicContact CH2-CD2 3.68Å; W189-L283 HydrophobicContact CZ3-CD2 4.23Å |
| 190 | S | 92.1 | Very high | 90.5 | Very high | 22 Ų | 22 | 38.8 Ų | 38.8 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -73.2 | 159.8 | 171.7 | 70.9 | 0 | 0 | 0 | 0 | 111.7 | T187 L188 E192 L193 G195 | T187-S190 WeakPolarHBondContact O-CB 3.37Å; T187-S190 PolarHBondContact O-N 3.06Å; T187-S190 PolarHBondContact O-OG 2.96Å; L188-S190 VanDerWaalsContact C-N 3.33Å; S190-E192 PolarHBondContact O-N 3.21Å; S190-L193 CarbonylContact O-C 3.44Å; S190-L193 PolarHBondContact O-N 3.42Å; S190-G195 WeakPolarHBondContact O-CA 3.18Å; S190-G195 PolarHBondContact O-N 3.49Å |
| 191 | N | 91.8 | Very high | 91.4 | Very high | 71 Ų | 71 | 37.1 Ų | 37.1 | 38% | 0.38 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.7 | 176.1 | -68.9 | -18 | 0 | 0 | 0 | 113.4 | L193 S203 S204 S205 W211 | N191-L193 VanDerWaalsContact C-N 3.3Å; N191-S203 WeakPolarHBondContact CB-O 3.33Å; N191-S203 VanDerWaalsContact OD1-CB 3.26Å; N191-S203 WeakPolarHBondContact OD1-CB 3.33Å; N191-S203 PolarHBondContact OD1-OG 2.93Å; N191-S204 CarbonylContact O-C 3.58Å; N191-S204 VanDerWaalsContact O-CA 3.22Å; N191-S204 WeakPolarHBondContact O-CA 3.46Å; N191-S205 PolarHBondContact O-N 2.73Å; N191-W211 HydrophobicContact CB-CH2 4.49Å |
| 192 | E | 90.9 | Very high | 92.2 | Very high | 75 Ų | 75 | 39.5 Ų | 39.5 | 35% | 0.35 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -21.8 | 177.9 | -60.2 | 176.6 | -168.5 | 0 | 0 | 112.5 | S190 H364 Y395 | S190-E192 PolarHBondContact O-N 3.21Å; E192-H364 IonicContact OE2-CE1 2.81Å; E192-Y395 PolarHBondContact OE2-OH 3.29Å; E192-Y395 VanDerWaalsContact OE2-OH 3.08Å |
| 193 | L | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -112.8 | -176.5 | -63.7 | -163.8 | 0 | 0 | 0 | 110.4 | Y95 R96 T187 L188 S190 N191 H364 | Y95-L193 HydrophobicContact CE1-CB 3.94Å; Y95-L193 HydrophobicContact CE1-CD2 4.16Å; Y95-L193 HydrophobicContact CE1-CG 4.44Å; Y95-L193 WeakPolarHBondContact OH-CA 3.3Å; Y95-L193 PolarHBondContact OH-O 3.33Å; R96-L193 HydrophobicContact CG-CD1 3.81Å; T187-L193 WeakPolarHBondContact O-CD1 3.44Å; L188-L193 VanDerWaalsContact O-CB 3.26Å; L188-L193 WeakPolarHBondContact O-CB 3.31Å; S190-L193 CarbonylContact O-C 3.44Å; S190-L193 PolarHBondContact O-N 3.42Å; N191-L193 VanDerWaalsContact C-N 3.3Å; L193-H364 HydrophobicContact CD1-CB 4.24Å |
| 194 | M | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -10.9 | -172.5 | -63 | -53.5 | -55.1 | 0 | 0 | 114.4 | Y95 L188 W189 F206 R222 P282 L283 M286 | Y95-M194 HydrophobicContact CD1-CG 4.39Å; Y95-M194 HydrophobicContact CD1-SD 4.25Å; Y95-M194 HydrophobicContact CE1-CG 3.73Å; Y95-M194 HydrophobicContact CE1-SD 3.49Å; Y95-M194 WeakPolarHBondContact CE1-SD 3.28Å; L188-M194 HydrophobicContact CD1-CG 3.67Å; L188-M194 HydrophobicContact CG-CG 4.19Å; L188-M194 VanDerWaalsContact O-CB 3.3Å; L188-M194 WeakPolarHBondContact O-CB 3.5Å; L188-M194 PolarHBondContact O-N 3.34Å; W189-M194 HydrophobicContact CE3-CB 4.42Å; W189-M194 HydrophobicContact CZ3-CB 4.48Å; M194-F206 HydrophobicContact CE-CD2 4.25Å; M194-F206 HydrophobicContact CE-CE2 3.89Å; M194-F206 HydrophobicContact SD-CD2 4.46Å; M194-F206 HydrophobicContact SD-CE2 3.75Å; M194-R222 VanDerWaalsContact CE-NH2 3.34Å; M194-R222 PolarHBondContact O-NH1 2.89Å; M194-R222 PolarHBondContact O-NH2 3.48Å; M194-P282 HydrophobicContact CE-CB 4.22Å; M194-L283 HydrophobicContact CE-CB 3.97Å; M194-L283 HydrophobicContact CE-CD1 4.34Å; M194-L283 HydrophobicContact CG-CD1 4.23Å; M194-L283 HydrophobicContact SD-CD1 4.43Å; M194-M286 HydrophobicContact CE-CE 4.49Å; M194-M286 HydrophobicContact SD-CE 3.87Å; M194-M286 HydrophobicContact SD-SD 4.08Å |
| 195 | G | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | 75.8 | -167.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | W189 S190 D201 | W189-G195 CarbonylContact C-O 3.57Å; W189-G195 VanDerWaalsContact CA-O 3.29Å; W189-G195 WeakPolarHBondContact CA-O 3.3Å; W189-G195 CarbonylContact O-C 3.51Å; W189-G195 VanDerWaalsContact O-O 3.12Å; S190-G195 WeakPolarHBondContact O-CA 3.18Å; S190-G195 PolarHBondContact O-N 3.49Å; G195-D201 WeakPolarHBondContact CA-OD1 3.26Å | ||
| 196 | S | 91.8 | Very high | 93.1 | Very high | 40 Ų | 40 | 33.6 Ų | 33.6 | 28% | 0.28 | 18% | 0.177 | S | C | . | . | trans | -48.1 | 138.4 | -168.3 | -174.2 | 0 | 0 | 0 | 0 | 113.6 | Y198 D201 R222 | S196-Y198 VanDerWaalsContact C-N 3.32Å; S196-Y198 PolarHBondContact OG-N 3.27Å; S196-Y198 VanDerWaalsContact OG-N 3.11Å; S196-Y198 PolarHBondContact OG-O 3.36Å; S196-D201 PolarHBondContact N-OD1 3.08Å; S196-R222 PolarHBondContact O-NH1 2.86Å | ||
| 197 | C | 91.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -83.1 | -6.8 | 170 | 56.9 | 0 | 0 | 0 | 0 | 114.4 | C183 W189 L224 | C183-C197 HydrophobicContact CB-CB 3.65Å; C183-C197 WeakPolarHBondContact CB-SG 3.19Å; C183-C197 WeakPolarHBondContact SG-CB 3.49Å; C183-C197 CovalentContact SG-SG 2.07Å; C183-C197 PolarHBondContact SG-SG 3Å; W189-C197 HydrophobicContact CB-CB 4.34Å; W189-C197 HydrophobicContact CD2-CB 3.91Å; W189-C197 HydrophobicContact CE3-CB 4Å; W189-C197 HydrophobicContact CG-CB 4.04Å; C197-L224 HydrophobicContact CB-CB 4.02Å; C197-L224 HydrophobicContact CB-CD1 3.73Å; C197-L224 HydrophobicContact CB-CD2 3.62Å; C197-L224 HydrophobicContact CB-CG 3.96Å; C197-L224 WeakPolarHBondContact O-CD1 3.37Å; C197-L224 PolarHBondContact O-N 3.36Å; C197-L224 VanDerWaalsContact O-N 3.13Å |
| 198 | Y | 93.4 | Very high | 93.2 | Very high | 119 Ų | 119 | 38.4 Ų | 38.4 | 47% | 0.467 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 140.6 | -179.8 | -58.7 | -70.3 | 0 | 0 | 0 | 112.5 | C183 S196 R222 L224 | C183-Y198 WeakPolarHBondContact SG-CE2 3.25Å; C183-Y198 PolarHBondContact SG-OH 3.08Å; S196-Y198 VanDerWaalsContact C-N 3.32Å; S196-Y198 PolarHBondContact OG-N 3.27Å; S196-Y198 VanDerWaalsContact OG-N 3.11Å; S196-Y198 PolarHBondContact OG-O 3.36Å; Y198-R222 CarbonylContact C-O 3.34Å; Y198-L224 HydrophobicContact CE1-CB 4.23Å; Y198-L224 WeakPolarHBondContact CE1-O 3.42Å |
| 199 | G | 94.4 | Very high | 93 | Very high | 40 Ų | 40 | 44.4 Ų | 44.4 | 41% | 0.412 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.5 | -159 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K221 R222 | G199-K221 CarbonylContact O-C 3.58Å; G199-K221 WeakPolarHBondContact O-CA 3.49Å; G199-R222 PolarHBondContact N-O 3.36Å; G199-R222 PolarHBondContact O-N 2.79Å |
| 200 | S | 95.4 | Very high | 92.7 | Very high | 74 Ų | 74 | 49.8 Ų | 49.8 | 52% | 0.517 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 122 | 174 | -61.4 | 0 | 0 | 0 | 0 | 110 | ||
| 201 | D | 93.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | trans | -71.2 | 137.3 | 172.4 | -178.4 | 58.6 | 0 | 0 | 0 | 110.3 | G195 S196 S204 T207 F220 | G195-D201 WeakPolarHBondContact CA-OD1 3.26Å; S196-D201 PolarHBondContact N-OD1 3.08Å; D201-S204 WeakPolarHBondContact OD2-CB 3.46Å; D201-S204 PolarHBondContact OD2-N 3.07Å; D201-S204 PolarHBondContact OD2-OG 2.87Å; D201-T207 HydrophobicContact CB-CG2 4.01Å; D201-T207 WeakPolarHBondContact O-CB 3.42Å; D201-T207 WeakPolarHBondContact O-CG2 3.47Å; D201-T207 WeakPolarHBondContact OD2-CB 3.39Å; D201-T207 WeakPolarHBondContact OD2-CG2 3.46Å; D201-T207 PolarHBondContact OD2-OG1 2.8Å; D201-F220 HydrophobicContact CB-CD2 4.37Å; D201-F220 HydrophobicContact CB-CE2 3.62Å; D201-F220 HydrophobicContact CB-CZ 4.05Å; D201-F220 PolarHBondContact N-O 2.85Å | ||
| 202 | R | 91.5 | Very high | 92 | Very high | 191 Ų | 191 | 52.1 Ų | 52.1 | 72% | 0.721 | 25% | 0.246 | S | C | * | . | trans | -136.4 | 0.3 | 178.9 | -63.5 | -170.1 | -180 | -78.8 | -0.4 | 113.4 | T207 | R202-T207 VanDerWaalsContact CA-OG1 3.28Å; R202-T207 WeakPolarHBondContact CA-OG1 3.38Å; R202-T207 PolarHBondContact N-OG1 3.04Å | ||
| 203 | S | 90.9 | Very high | 91.7 | Very high | 41 Ų | 41 | 54.4 Ų | 54.4 | 29% | 0.287 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -124 | -7.8 | -167.5 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | N191 T207 | N191-S203 WeakPolarHBondContact CB-O 3.33Å; N191-S203 VanDerWaalsContact OD1-CB 3.26Å; N191-S203 WeakPolarHBondContact OD1-CB 3.33Å; N191-S203 PolarHBondContact OD1-OG 2.93Å; S203-T207 PolarHBondContact N-OG1 3.02Å |
| 204 | S | 93.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -76.4 | 166.4 | 174.5 | 71.2 | 0 | 0 | 0 | 0 | 113.3 | N191 D201 F206 T207 R208 | N191-S204 CarbonylContact O-C 3.58Å; N191-S204 VanDerWaalsContact O-CA 3.22Å; N191-S204 WeakPolarHBondContact O-CA 3.46Å; D201-S204 WeakPolarHBondContact OD2-CB 3.46Å; D201-S204 PolarHBondContact OD2-N 3.07Å; D201-S204 PolarHBondContact OD2-OG 2.87Å; S204-F206 PolarHBondContact O-N 3.27Å; S204-F206 VanDerWaalsContact O-N 3.16Å; S204-F206 PolarHBondContact OG-N 2.83Å; S204-T207 PolarHBondContact N-OG1 3.07Å; S204-T207 PolarHBondContact O-N 3.02Å; S204-T207 VanDerWaalsContact O-N 3.11Å; S204-T207 PolarHBondContact OG-N 3.28Å; S204-T207 PolarHBondContact OG-OG1 3.2Å; S204-R208 WeakPolarHBondContact O-CB 3.41Å; S204-R208 PolarHBondContact O-N 3.38Å |
| 205 | S | 91.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.014 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -30 | 168.2 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | H107 N191 Y212 | H107-S205 PolarHBondContact CE1-OG 3.26Å; H107-S205 WeakPolarHBondContact ND1-CB 3.41Å; H107-S205 PolarHBondContact ND1-OG 3.18Å; N191-S205 PolarHBondContact O-N 2.73Å; S205-Y212 WeakPolarHBondContact O-CD2 3.01Å; S205-Y212 VanDerWaalsContact O-CE2 3.24Å; S205-Y212 WeakPolarHBondContact O-CE2 3.24Å |
| 206 | F | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -37.7 | 176.9 | -68.5 | -65.6 | 0 | 0 | 0 | 112.8 | F106 H107 L110 R111 M194 S204 F218 F220 P282 M286 | F106-F206 HydrophobicContact CD1-CZ 4.48Å; F106-F206 AromaticContact CE1-CZ 3.87Å; F106-F206 HydrophobicContact CE1-CZ 3.87Å; H107-F206 HydrophobicContact CB-CE1 4.38Å; H107-F206 AromaticContact CD2-CE1 3.57Å; H107-F206 AromaticContact CD2-CE2 3.69Å; H107-F206 AromaticContact CD2-CZ 3.12Å; H107-F206 WeakPolarHBondContact CD2-CZ 3.22Å; H107-F206 AromaticContact NE2-CE2 3.5Å; H107-F206 WeakPolarHBondContact NE2-CE2 3.4Å; H107-F206 AromaticContact NE2-CZ 3.42Å; H107-F206 WeakPolarHBondContact NE2-CZ 3.36Å; L110-F206 HydrophobicContact CB-CE1 4.04Å; L110-F206 HydrophobicContact CD1-CE1 3.62Å; L110-F206 HydrophobicContact CD1-CZ 4.09Å; L110-F206 HydrophobicContact CG-CE1 4.41Å; R111-F206 VanDerWaalsContact CD-O 3.25Å; R111-F206 WeakPolarHBondContact CD-O 3.38Å; R111-F206 PolarHBondContact NH1-O 3.3Å; M194-F206 HydrophobicContact CE-CD2 4.25Å; M194-F206 HydrophobicContact CE-CE2 3.89Å; M194-F206 HydrophobicContact SD-CD2 4.46Å; M194-F206 HydrophobicContact SD-CE2 3.75Å; S204-F206 PolarHBondContact O-N 3.27Å; S204-F206 VanDerWaalsContact O-N 3.16Å; S204-F206 PolarHBondContact OG-N 2.83Å; F206-F218 HydrophobicContact CB-CB 4.31Å; F206-F218 HydrophobicContact CB-CD2 3.95Å; F206-F218 HydrophobicContact CB-CG 4.39Å; F206-F218 AromaticContact CD1-CD2 3.93Å; F206-F218 HydrophobicContact CD1-CD2 3.93Å; F206-F218 AromaticContact CD1-CE2 3.93Å; F206-F218 HydrophobicContact CD1-CE2 3.93Å; F206-F218 HydrophobicContact CG-CD2 4.41Å; F206-F218 WeakPolarHBondContact O-CD2 3.47Å; F206-F218 PolarHBondContact O-N 3.13Å; F206-F220 HydrophobicContact CB-CE1 4.09Å; F206-F220 HydrophobicContact CB-CZ 4.45Å; F206-P282 HydrophobicContact CD1-CG 4.06Å; F206-P282 HydrophobicContact CE1-CB 4.25Å; F206-P282 HydrophobicContact CE1-CG 4.16Å; F206-P282 HydrophobicContact CE2-CB 4.43Å; F206-P282 HydrophobicContact CG-CG 4.23Å; F206-P282 HydrophobicContact CZ-CB 4.11Å; F206-P282 HydrophobicContact CZ-CG 4.39Å; F206-M286 HydrophobicContact CZ-CE 4.45Å |
| 207 | T | 94.5 | Very high | 91.5 | Very high | 11 Ų | 11 | 62.3 Ų | 62.3 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -18.9 | -167.8 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | D201 R202 S203 S204 R209 P217 F218 F220 | D201-T207 HydrophobicContact CB-CG2 4.01Å; D201-T207 WeakPolarHBondContact O-CB 3.42Å; D201-T207 WeakPolarHBondContact O-CG2 3.47Å; D201-T207 WeakPolarHBondContact OD2-CB 3.39Å; D201-T207 WeakPolarHBondContact OD2-CG2 3.46Å; D201-T207 PolarHBondContact OD2-OG1 2.8Å; R202-T207 VanDerWaalsContact CA-OG1 3.28Å; R202-T207 WeakPolarHBondContact CA-OG1 3.38Å; R202-T207 PolarHBondContact N-OG1 3.04Å; S203-T207 PolarHBondContact N-OG1 3.02Å; S204-T207 PolarHBondContact N-OG1 3.07Å; S204-T207 PolarHBondContact O-N 3.02Å; S204-T207 VanDerWaalsContact O-N 3.11Å; S204-T207 PolarHBondContact OG-N 3.28Å; S204-T207 PolarHBondContact OG-OG1 3.2Å; T207-R209 PolarHBondContact O-N 3.06Å; T207-P217 WeakPolarHBondContact O-CB 3.46Å; T207-F218 HydrophobicContact CG2-CB 4.3Å; T207-F218 WeakPolarHBondContact CG2-O 3.44Å; T207-F220 HydrophobicContact CG2-CD1 4.28Å; T207-F220 HydrophobicContact CG2-CE1 3.55Å; T207-F220 HydrophobicContact CG2-CE2 4.42Å; T207-F220 HydrophobicContact CG2-CZ 3.63Å |
| 208 | R | 92.6 | Very high | 91.7 | Very high | 90 Ų | 90 | 62.3 Ų | 62.3 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | trans | -76.5 | 123.9 | -179.3 | -168.9 | 168.5 | -179.3 | -177.9 | 3.7 | 110.6 | R111 S204 E210 W211 | R111-R208 PolarHBondContact NH1-O 2.07Å; S204-R208 WeakPolarHBondContact O-CB 3.41Å; S204-R208 PolarHBondContact O-N 3.38Å; R208-E210 WeakPolarHBondContact CG-OE2 3.23Å; R208-E210 IonicContact NE-OE2 3.2Å; R208-E210 PolarHBondContact NE-OE2 3.27Å; R208-E210 VanDerWaalsContact NE-OE2 3.12Å; R208-W211 HydrophobicContact CB-CG 4.47Å; R208-W211 HydrophobicContact CG-CG 4.3Å | ||
| 209 | R | 90.5 | Very high | 91.8 | Very high | 127 Ų | 127 | 64.2 Ų | 64.2 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -74.6 | -36.4 | -177.6 | -178.2 | 165.4 | -84.5 | 117.8 | -5.5 | 112.1 | T207 W211 Y212 T213 E216 P217 | T207-R209 PolarHBondContact O-N 3.06Å; R209-W211 PolarHBondContact O-N 3.24Å; R209-Y212 CarbonylContact O-C 3.51Å; R209-Y212 PolarHBondContact O-N 3.27Å; R209-T213 PolarHBondContact O-N 3.29Å; R209-E216 IonicContact CZ-OE2 3.88Å; R209-E216 IonicContact NH2-OE2 3.75Å; R209-E216 PolarHBondContact NH2-OE2 3.09Å; R209-P217 VanDerWaalsContact NH2-CD 3.26Å |
| 210 | E | 88.2 | Confident | 91.8 | Very high | 128 Ų | 128 | 62.5 Ų | 62.5 | 60% | 0.598 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -19.9 | -172.8 | -54.6 | 76.1 | -153.2 | 0 | 0 | 113.7 | R208 | R208-E210 WeakPolarHBondContact CG-OE2 3.23Å; R208-E210 IonicContact NE-OE2 3.2Å; R208-E210 PolarHBondContact NE-OE2 3.27Å; R208-E210 VanDerWaalsContact NE-OE2 3.12Å |
| 211 | W | 82.7 | Confident | 91.9 | Very high | 109 Ų | 109 | 64 Ų | 64 | 41% | 0.413 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -27 | 179.9 | -73.2 | 9 | 0 | 0 | 0 | 113.2 | N191 R208 R209 | N191-W211 HydrophobicContact CB-CH2 4.49Å; R208-W211 HydrophobicContact CB-CG 4.47Å; R208-W211 HydrophobicContact CG-CG 4.3Å; R209-W211 PolarHBondContact O-N 3.24Å |
| 212 | Y | 85.8 | Confident | 92 | Very high | 33 Ų | 33 | 63.8 Ų | 63.8 | 13% | 0.129 | 30% | 0.3 | C | S | . | . | trans | -139.7 | 71.4 | -179.6 | -54.9 | -72.8 | 0 | 0 | 0 | 110 | Q108 R111 S205 R209 S214 T215 | Q108-Y212 HydrophobicContact CG-CD1 3.81Å; Q108-Y212 HydrophobicContact CG-CE1 3.31Å; R111-Y212 HydrophobicContact CG-CD2 4.07Å; R111-Y212 HydrophobicContact CG-CE2 4.47Å; R111-Y212 PolarHBondContact NH2-O 3.06Å; S205-Y212 WeakPolarHBondContact O-CD2 3.01Å; S205-Y212 VanDerWaalsContact O-CE2 3.24Å; S205-Y212 WeakPolarHBondContact O-CE2 3.24Å; R209-Y212 CarbonylContact O-C 3.51Å; R209-Y212 PolarHBondContact O-N 3.27Å; Y212-S214 PolarHBondContact O-N 3.04Å; Y212-T215 WeakPolarHBondContact CB-OG1 3.44Å; Y212-T215 PolarHBondContact O-N 3.16Å; Y212-T215 PolarHBondContact O-OG1 3.49Å | ||
| 213 | T | 85.2 | Confident | 92.1 | Very high | 123 Ų | 123 | 57.7 Ų | 57.7 | 76% | 0.755 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22 | -172 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | R209 | R209-T213 PolarHBondContact O-N 3.29Š|
| 214 | S | 89.2 | Confident | 92.2 | Very high | 95 Ų | 95 | 56 Ų | 56 | 66% | 0.664 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 3.7 | 178.1 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | Y212 | Y212-S214 PolarHBondContact O-N 3.04Š|
| 215 | T | 93.9 | Very high | 92 | Very high | 13 Ų | 13 | 58.2 Ų | 58.2 | 8% | 0.08 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -133.6 | 150.2 | -176.6 | 63.4 | 0 | 0 | 0 | 0 | 112.1 | R111 T115 Y212 | R111-T215 HydrophobicContact CB-CG2 4.17Å; R111-T215 PolarHBondContact NE-OG1 2.87Å; R111-T215 PolarHBondContact NH2-O 3.44Å; R111-T215 PolarHBondContact NH2-OG1 3.4Å; R111-T215 VanDerWaalsContact NH2-OG1 3.16Å; T115-T215 WeakPolarHBondContact OG1-CA 3.43Å; T115-T215 WeakPolarHBondContact OG1-CB 3.47Å; Y212-T215 WeakPolarHBondContact CB-OG1 3.44Å; Y212-T215 PolarHBondContact O-N 3.16Å; Y212-T215 PolarHBondContact O-OG1 3.49Å |
| 216 | E | 92.2 | Very high | 92 | Very high | 84 Ų | 84 | 65.4 Ų | 65.4 | 39% | 0.393 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 130.9 | 173.6 | -68 | -56.9 | 157 | 0 | 0 | 111.8 | R111 N114 T115 R209 | R111-E216 PolarHBondContact NE-O 3.25Å; N114-E216 PolarHBondContact ND2-O 3.41Å; T115-E216 HydrophobicContact CG2-CG 4.4Å; T115-E216 PolarHBondContact OG1-N 3.48Å; R209-E216 IonicContact CZ-OE2 3.88Å; R209-E216 IonicContact NH2-OE2 3.75Å; R209-E216 PolarHBondContact NH2-OE2 3.09Å |
| 217 | P | 95 | Very high | 91.8 | Very high | 15 Ų | 15 | 68.8 Ų | 68.8 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 152.6 | 174.4 | 29.9 | -33.8 | 0 | 0 | 0 | 112.6 | R111 N114 T207 R209 | R111-P217 VanDerWaalsContact NH1-CA 3.26Å; N114-P217 VanDerWaalsContact ND2-C 3.33Å; N114-P217 PolarHBondContact ND2-O 2.86Å; T207-P217 WeakPolarHBondContact O-CB 3.46Å; R209-P217 VanDerWaalsContact NH2-CD 3.26Å |
| 218 | F | 96.2 | Very high | 91.6 | Very high | 6 Ų | 6 | 70 Ų | 70 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 153 | 167.6 | -75.5 | -91.8 | 0 | 0 | 0 | 110.9 | L110 R111 N114 Y124 F206 T207 F220 P282 | L110-F218 HydrophobicContact CB-CE2 3.94Å; L110-F218 HydrophobicContact CB-CZ 3.82Å; L110-F218 VanDerWaalsContact O-CZ 3.3Å; L110-F218 WeakPolarHBondContact O-CZ 3.29Å; R111-F218 HydrophobicContact CG-CE2 4.39Å; N114-F218 HydrophobicContact CB-CD1 4.46Å; N114-F218 HydrophobicContact CB-CD2 4.44Å; N114-F218 HydrophobicContact CB-CE1 3.92Å; N114-F218 HydrophobicContact CB-CE2 3.91Å; N114-F218 HydrophobicContact CB-CZ 3.62Å; Y124-F218 AromaticContact CD1-CE1 3.69Å; Y124-F218 HydrophobicContact CD1-CE1 3.69Å; Y124-F218 AromaticContact CD2-CE1 3.7Å; Y124-F218 HydrophobicContact CD2-CE1 3.7Å; Y124-F218 AromaticContact CD2-CZ 3.86Å; Y124-F218 HydrophobicContact CD2-CZ 3.86Å; Y124-F218 HydrophobicContact CE1-CD1 4.26Å; Y124-F218 AromaticContact CE1-CE1 3.61Å; Y124-F218 HydrophobicContact CE1-CE1 3.61Å; Y124-F218 AromaticContact CE2-CE1 3.6Å; Y124-F218 HydrophobicContact CE2-CE1 3.6Å; Y124-F218 AromaticContact CE2-CZ 3.94Å; Y124-F218 HydrophobicContact CE2-CZ 3.94Å; Y124-F218 AromaticContact CG-CE1 3.73Å; Y124-F218 HydrophobicContact CG-CE1 3.73Å; Y124-F218 HydrophobicContact CG-CZ 4.17Å; Y124-F218 AromaticContact CZ-CE1 3.56Å; F206-F218 HydrophobicContact CB-CB 4.31Å; F206-F218 HydrophobicContact CB-CD2 3.95Å; F206-F218 HydrophobicContact CB-CG 4.39Å; F206-F218 AromaticContact CD1-CD2 3.93Å; F206-F218 HydrophobicContact CD1-CD2 3.93Å; F206-F218 AromaticContact CD1-CE2 3.93Å; F206-F218 HydrophobicContact CD1-CE2 3.93Å; F206-F218 HydrophobicContact CG-CD2 4.41Å; F206-F218 WeakPolarHBondContact O-CD2 3.47Å; F206-F218 PolarHBondContact O-N 3.13Å; T207-F218 HydrophobicContact CG2-CB 4.3Å; T207-F218 WeakPolarHBondContact CG2-O 3.44Å; F218-F220 HydrophobicContact CB-CD1 3.87Å; F218-F220 HydrophobicContact CB-CE1 3.85Å; F218-P282 HydrophobicContact CD1-CG 4.21Å; F218-P282 HydrophobicContact CE1-CG 4.22Å; F218-P282 HydrophobicContact CG-CG 4.48Å; F218-P282 HydrophobicContact CZ-CG 4.5Å |
| 219 | E | 95.3 | Very high | 91.6 | Very high | 159 Ų | 159 | 70.3 Ų | 70.3 | 74% | 0.743 | 35% | 0.354 | S | S | * | . | trans | -127.3 | 106.4 | 170.4 | -64.7 | -173.8 | 179.7 | 0 | 0 | 108.7 | ||||
| 220 | F | 95.8 | Very high | 91.7 | Very high | 5 Ų | 5 | 65.3 Ų | 65.3 | 2% | 0.022 | 34% | 0.336 | C | S | . | . | trans | -141.5 | 157.2 | 173.1 | 56.4 | -99.3 | 0 | 0 | 0 | 110.4 | D201 F206 T207 F218 R222 D271 D281 P282 | D201-F220 HydrophobicContact CB-CD2 4.37Å; D201-F220 HydrophobicContact CB-CE2 3.62Å; D201-F220 HydrophobicContact CB-CZ 4.05Å; D201-F220 PolarHBondContact N-O 2.85Å; F206-F220 HydrophobicContact CB-CE1 4.09Å; F206-F220 HydrophobicContact CB-CZ 4.45Å; T207-F220 HydrophobicContact CG2-CD1 4.28Å; T207-F220 HydrophobicContact CG2-CE1 3.55Å; T207-F220 HydrophobicContact CG2-CE2 4.42Å; T207-F220 HydrophobicContact CG2-CZ 3.63Å; F218-F220 HydrophobicContact CB-CD1 3.87Å; F218-F220 HydrophobicContact CB-CE1 3.85Å; F220-R222 VanDerWaalsContact CE2-CZ 3.4Å; F220-R222 VanDerWaalsContact CE2-NH2 3.27Å; F220-D271 VanDerWaalsContact CA-OD2 3.22Å; F220-D271 WeakPolarHBondContact CA-OD2 3.46Å; F220-D281 HydrophobicContact CB-CB 4.36Å; F220-D281 HydrophobicContact CG-CB 4.46Å; F220-P282 HydrophobicContact CE1-CG 4.48Å | ||
| 221 | K | 96.2 | Very high | 92 | Very high | 104 Ų | 104 | 60 Ų | 60 | 45% | 0.452 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 149.1 | 175 | 69.9 | -167.9 | 169.7 | -179.4 | 0 | 111.2 | G199 G270 D271 | G199-K221 CarbonylContact O-C 3.58Å; G199-K221 WeakPolarHBondContact O-CA 3.49Å; K221-G270 CarbonylContact O-C 3.58Å; K221-G270 WeakPolarHBondContact O-CA 3.46Å; K221-D271 WeakPolarHBondContact CG-OD2 3.11Å; K221-D271 PolarHBondContact N-OD2 2.68Å; K221-D271 PolarHBondContact O-N 3.15Å |
| 222 | R | 95.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 162.3 | 175 | -63.1 | -176.1 | -173.7 | 124.2 | 3.3 | 111.2 | M194 S196 Y198 G199 F220 L224 V268 D281 | M194-R222 VanDerWaalsContact CE-NH2 3.34Å; M194-R222 PolarHBondContact O-NH1 2.89Å; M194-R222 PolarHBondContact O-NH2 3.48Å; S196-R222 PolarHBondContact O-NH1 2.86Å; Y198-R222 CarbonylContact C-O 3.34Å; G199-R222 PolarHBondContact N-O 3.36Å; G199-R222 PolarHBondContact O-N 2.79Å; F220-R222 VanDerWaalsContact CE2-CZ 3.4Å; F220-R222 VanDerWaalsContact CE2-NH2 3.27Å; R222-L224 HydrophobicContact CB-CD1 3.75Å; R222-L224 HydrophobicContact CG-CD1 4.37Å; R222-V268 HydrophobicContact CG-CG1 3.95Å; R222-D281 IonicContact CZ-OD1 3.28Å; R222-D281 IonicContact CZ-OD2 3.03Å; R222-D281 IonicContact NE-OD1 2.71Å; R222-D281 IonicContact NE-OD2 2.68Å; R222-D281 PolarHBondContact NE-OD2 2.83Å; R222-D281 IonicContact NH2-OD1 2.98Å; R222-D281 PolarHBondContact NH2-OD1 2.85Å; R222-D281 IonicContact NH2-OD2 2.75Å; R222-D281 PolarHBondContact NH2-OD2 3.36Å |
| 223 | N | 94.5 | Very high | 92.9 | Very high | 63 Ų | 63 | 56 Ų | 56 | 34% | 0.337 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 73.2 | 173.3 | -163.5 | -11.5 | 0 | 0 | 0 | 109.6 | G225 R226 V268 | N223-G225 PolarHBondContact O-N 3.36Å; N223-R226 HydrophobicContact CB-CB 4.41Å; N223-R226 WeakPolarHBondContact ND2-CD 3.15Å; N223-R226 WeakPolarHBondContact O-CB 3.15Å; N223-R226 PolarHBondContact O-N 2.84Å; N223-V268 CarbonylContact C-O 3.12Å; N223-V268 PolarHBondContact N-O 2.66Å |
| 224 | L | 92.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 135 | -164.8 | -97.7 | 74.1 | 0 | 0 | 0 | 113.2 | C183 W189 C197 Y198 R222 R226 W267 V268 | C183-L224 HydrophobicContact CB-CB 3.97Å; C183-L224 HydrophobicContact CB-CD2 3.37Å; C183-L224 HydrophobicContact CB-CG 4.27Å; W189-L224 HydrophobicContact CD2-CD2 4Å; W189-L224 VanDerWaalsContact CE2-CD2 3.49Å; W189-L224 HydrophobicContact CE3-CD2 4.29Å; W189-L224 HydrophobicContact CH2-CD1 4.08Å; W189-L224 HydrophobicContact CH2-CD2 3.64Å; W189-L224 HydrophobicContact CH2-CG 4.43Å; W189-L224 HydrophobicContact CZ2-CD2 3.32Å; W189-L224 HydrophobicContact CZ2-CG 4.49Å; W189-L224 HydrophobicContact CZ3-CD1 4.08Å; W189-L224 HydrophobicContact CZ3-CD2 4.12Å; C197-L224 HydrophobicContact CB-CB 4.02Å; C197-L224 HydrophobicContact CB-CD1 3.73Å; C197-L224 HydrophobicContact CB-CD2 3.62Å; C197-L224 HydrophobicContact CB-CG 3.96Å; C197-L224 WeakPolarHBondContact O-CD1 3.37Å; C197-L224 PolarHBondContact O-N 3.36Å; C197-L224 VanDerWaalsContact O-N 3.13Å; Y198-L224 HydrophobicContact CE1-CB 4.23Å; Y198-L224 WeakPolarHBondContact CE1-O 3.42Å; R222-L224 HydrophobicContact CB-CD1 3.75Å; R222-L224 HydrophobicContact CG-CD1 4.37Å; L224-R226 PolarHBondContact O-N 3.23Å; L224-R226 VanDerWaalsContact O-N 3.15Å; L224-W267 CarbonylContact C-O 3.57Å; L224-W267 VanDerWaalsContact CA-O 3.25Å; L224-W267 WeakPolarHBondContact CA-O 3.43Å; L224-W267 HydrophobicContact CD2-CE3 4.15Å; L224-W267 HydrophobicContact CD2-CH2 3.38Å; L224-W267 HydrophobicContact CD2-CZ2 4.15Å; L224-W267 HydrophobicContact CD2-CZ3 3.35Å; L224-W267 HydrophobicContact CG-CE3 4.26Å; L224-W267 HydrophobicContact CG-CH2 4.22Å; L224-W267 HydrophobicContact CG-CZ3 3.94Å; L224-V268 HydrophobicContact CD1-CG1 4.08Å; L224-V268 WeakPolarHBondContact CD1-O 3.16Å |
| 225 | G | 90 | Very high | 93.5 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 47% | 0.474 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 1.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | N223 H227 W267 | N223-G225 PolarHBondContact O-N 3.36Å; G225-H227 VanDerWaalsContact C-N 3.31Å; G225-H227 PolarHBondContact O-N 3.35Å; G225-W267 PolarHBondContact N-O 3.02Å |
| 226 | R | 91.5 | Very high | 93.6 | Very high | 152 Ų | 152 | 55.5 Ų | 55.5 | 57% | 0.574 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -63.7 | -40.3 | 176.1 | 178.8 | 168.3 | -176.2 | -95.8 | -1.2 | 111.8 | N223 L224 | N223-R226 HydrophobicContact CB-CB 4.41Å; N223-R226 WeakPolarHBondContact ND2-CD 3.15Å; N223-R226 WeakPolarHBondContact O-CB 3.15Å; N223-R226 PolarHBondContact O-N 2.84Å; L224-R226 PolarHBondContact O-N 3.23Å; L224-R226 VanDerWaalsContact O-N 3.15Å |
| 227 | H | 90.1 | Very high | 93.8 | Very high | 72 Ų | 72 | 52.4 Ų | 52.4 | 33% | 0.333 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -135 | 171.4 | 176.4 | -59.9 | 149.2 | 0 | 0 | 0 | 109 | G225 Q266 W267 E273 | G225-H227 VanDerWaalsContact C-N 3.31Å; G225-H227 PolarHBondContact O-N 3.35Å; H227-Q266 CarbonylContact C-O 3.53Å; H227-Q266 HydrophobicContact CB-CB 4.41Å; H227-Q266 CarbonylContact O-C 3.27Å; H227-Q266 VanDerWaalsContact O-O 3.05Å; H227-W267 WeakPolarHBondContact O-CA 3.37Å; H227-W267 PolarHBondContact O-N 3.09Å; H227-E273 IonicContact CE1-OE1 3.61Å; H227-E273 PolarHBondContact CE1-OE1 3.4Å; H227-E273 IonicContact CG-OE1 2.61Å; H227-E273 IonicContact ND1-OE1 2.66Å; H227-E273 PolarHBondContact ND1-OE1 2.95Å; H227-E273 IonicContact ND1-OE2 2.82Å; H227-E273 PolarHBondContact ND1-OE2 2.95Å |
| 228 | G | 90.4 | Very high | 93.9 | Very high | 35 Ų | 35 | 54.2 Ų | 54.2 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | trans | 62.7 | -171.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K263 | G228-K263 WeakPolarHBondContact CA-O 3.32Š| ||
| 229 | E | 92.3 | Very high | 93.9 | Very high | 97 Ų | 97 | 56.8 Ų | 56.8 | 45% | 0.453 | 30% | 0.299 | S | S | . | . | trans | -162.1 | 155.7 | 176.2 | 68.3 | -161.1 | 162.2 | 0 | 0 | 108.9 | S231 K263 T264 | E229-S231 WeakPolarHBondContact CG-OG 3.25Å; E229-S231 PolarHBondContact O-N 3.42Å; E229-S231 PolarHBondContact O-OG 2.95Å; E229-K263 HydrophobicContact CG-CD 4.18Å; E229-K263 PolarHBondContact N-O 2.91Å; E229-K263 CarbonylContact O-C 3.33Å; E229-K263 VanDerWaalsContact O-C 3.23Å; E229-K263 IonicContact OE1-NZ 2.86Å; E229-K263 PolarHBondContact OE1-NZ 3.41Å; E229-T264 PolarHBondContact O-N 3.21Å | ||
| 230 | M | 92.3 | Very high | 94 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 11% | 0.108 | 27% | 0.265 | C | S | . | . | trans | -63.6 | 104.5 | 169.7 | -70.8 | -53.7 | -156.8 | 0 | 0 | 109.8 | W172 P174 E177 A178 T264 W267 | W172-M230 HydrophobicContact CH2-CE 3.49Å; W172-M230 VanDerWaalsContact CH2-CE 3.49Å; W172-M230 HydrophobicContact CH2-SD 4.31Å; W172-M230 HydrophobicContact CZ2-CE 3.25Å; W172-M230 HydrophobicContact CZ2-SD 4.5Å; P174-M230 HydrophobicContact CB-CE 4.28Å; P174-M230 HydrophobicContact CB-SD 3.94Å; E177-M230 HydrophobicContact CB-CE 3.51Å; E177-M230 HydrophobicContact CG-CE 4.12Å; A178-M230 HydrophobicContact CB-CB 3.72Å; A178-M230 HydrophobicContact CB-CG 4.3Å; M230-T264 HydrophobicContact SD-CG2 3.79Å; M230-W267 HydrophobicContact CE-CD2 3.87Å; M230-W267 HydrophobicContact CE-CE3 3.2Å; M230-W267 HydrophobicContact CE-CH2 3.6Å; M230-W267 HydrophobicContact CE-CZ2 4.23Å; M230-W267 HydrophobicContact CE-CZ3 3.06Å; M230-W267 HydrophobicContact CG-CD2 3.96Å; M230-W267 HydrophobicContact CG-CE3 4.27Å; M230-W267 HydrophobicContact CG-CG 4.31Å; M230-W267 HydrophobicContact CG-CZ2 4.4Å; M230-W267 HydrophobicContact SD-CD2 3.93Å; M230-W267 HydrophobicContact SD-CE3 3.74Å; M230-W267 HydrophobicContact SD-CG 4.35Å; M230-W267 HydrophobicContact SD-CZ3 4.2Å | ||
| 231 | S | 94.4 | Very high | 94.1 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | trans | -108.6 | -2.5 | -166.4 | -64.2 | 0 | 0 | 0 | 0 | 114.2 | E229 T233 L236 A260 K263 T264 | E229-S231 WeakPolarHBondContact CG-OG 3.25Å; E229-S231 PolarHBondContact O-N 3.42Å; E229-S231 PolarHBondContact O-OG 2.95Å; S231-T233 PolarHBondContact O-N 3.45Å; S231-L236 VanDerWaalsContact O-CD2 3.25Å; S231-L236 WeakPolarHBondContact O-CD2 3.37Å; S231-A260 VanDerWaalsContact CB-CA 3.5Å; S231-K263 WeakPolarHBondContact OG-CB 3.36Å; S231-K263 VanDerWaalsContact OG-CD 3.24Å; S231-K263 WeakPolarHBondContact OG-CD 3.43Å; S231-T264 PolarHBondContact N-OG1 2.88Å | ||
| 232 | F | 95.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.009 | 28% | 0.283 | C | S | . | . | trans | -82.9 | 98.3 | 165.5 | -68.9 | -78.2 | 0 | 0 | 0 | 108.1 | P174 T175 L236 L237 F257 A260 L261 T264 L287 Y290 V291 | P174-F232 HydrophobicContact CB-CD2 4.49Å; P174-F232 HydrophobicContact CG-CB 3.86Å; P174-F232 HydrophobicContact CG-CD2 3.61Å; P174-F232 HydrophobicContact CG-CG 4.02Å; T175-F232 HydrophobicContact CG2-CB 4.38Å; T175-F232 WeakPolarHBondContact CG2-O 3.17Å; F232-L236 HydrophobicContact CD1-CD2 4.28Å; F232-L237 HydrophobicContact CD1-CD2 4.24Å; F232-F257 HydrophobicContact CE1-CD2 4.36Å; F232-F257 HydrophobicContact CE1-CE2 4.24Å; F232-A260 HydrophobicContact CD1-CB 4.41Å; F232-A260 HydrophobicContact CE1-CB 4.24Å; F232-A260 HydrophobicContact CZ-CB 4.28Å; F232-L261 HydrophobicContact CZ-CB 4.14Å; F232-T264 HydrophobicContact CD2-CG2 4.36Å; F232-T264 WeakPolarHBondContact CD2-OG1 3.48Å; F232-L287 HydrophobicContact CE2-CD1 4.34Å; F232-Y290 HydrophobicContact CB-CE1 4.4Å; F232-Y290 HydrophobicContact CD1-CE1 4.24Å; F232-Y290 HydrophobicContact CD2-CE1 4.45Å; F232-Y290 HydrophobicContact CG-CE1 4.11Å; F232-V291 HydrophobicContact CE1-CG1 4.02Å; F232-V291 HydrophobicContact CE2-CG1 4.12Å; F232-V291 HydrophobicContact CZ-CG1 3.44Å; F232-V291 VanDerWaalsContact CZ-CG1 3.44Å | ||
| 233 | T | 93 | Very high | 94.2 | Very high | 56 Ų | 56 | 51.3 Ų | 51.3 | 34% | 0.344 | 28% | 0.283 | S | S | . | . | trans | -104.7 | 163.8 | 177.7 | 76.5 | 0 | 0 | 0 | 0 | 110.9 | S231 E235 L236 L237 | S231-T233 PolarHBondContact O-N 3.45Å; T233-E235 WeakPolarHBondContact CB-OE2 3.49Å; T233-E235 PolarHBondContact O-N 2.87Å; T233-E235 PolarHBondContact OG1-N 3.09Å; T233-E235 PolarHBondContact OG1-OE2 3.47Å; T233-L236 PolarHBondContact O-N 3.19Å; T233-L236 PolarHBondContact OG1-N 3.45Å; T233-L237 VanDerWaalsContact O-CG 3.29Å; T233-L237 WeakPolarHBondContact O-CG 3.46Å; T233-L237 PolarHBondContact O-N 2.84Å | ||
| 234 | D | 91.7 | Very high | 94.3 | Very high | 66 Ų | 66 | 56.6 Ų | 56.6 | 35% | 0.353 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.8 | -35 | 177.4 | -62.5 | -34.4 | 0 | 0 | 0 | 110.1 | R179 A238 R373 | R179-D234 IonicContact NH2-OD2 3.06Å; R179-D234 PolarHBondContact NH2-OD2 2.87Å; D234-A238 PolarHBondContact O-N 3.43Å; D234-A238 VanDerWaalsContact O-N 3.09Å; D234-R373 IonicContact OD1-CZ 3.45Å; D234-R373 IonicContact OD1-NH1 2.84Å; D234-R373 PolarHBondContact OD1-NH1 3.18Å; D234-R373 IonicContact OD2-CZ 3.18Å; D234-R373 IonicContact OD2-NH1 2.69Å; D234-R373 PolarHBondContact OD2-NH1 3Å; D234-R373 VanDerWaalsContact OD2-NH1 3.08Å; D234-R373 IonicContact OD2-NH2 3.08Å; D234-R373 PolarHBondContact OD2-NH2 3.42Å |
| 235 | E | 94.7 | Very high | 94.4 | Very high | 136 Ų | 136 | 58 Ų | 58 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68.4 | -45.7 | 175.7 | -56 | 73.1 | -158.1 | 0 | 0 | 112.9 | T233 L237 A238 E239 | T233-E235 WeakPolarHBondContact CB-OE2 3.49Å; T233-E235 PolarHBondContact O-N 2.87Å; T233-E235 PolarHBondContact OG1-N 3.09Å; T233-E235 PolarHBondContact OG1-OE2 3.47Å; E235-L237 VanDerWaalsContact C-N 3.31Å; E235-L237 PolarHBondContact O-N 3.37Å; E235-A238 PolarHBondContact O-N 3.42Å; E235-E239 PolarHBondContact O-N 3.19Å |
| 236 | L | 96.6 | Very high | 94.7 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 177.7 | 177.4 | 63.3 | 0 | 0 | 0 | 111.2 | S231 F232 T233 A238 E239 I240 K256 A260 | S231-L236 VanDerWaalsContact O-CD2 3.25Å; S231-L236 WeakPolarHBondContact O-CD2 3.37Å; F232-L236 HydrophobicContact CD1-CD2 4.28Å; T233-L236 PolarHBondContact O-N 3.19Å; T233-L236 PolarHBondContact OG1-N 3.45Å; L236-A238 VanDerWaalsContact C-N 3.34Å; L236-E239 PolarHBondContact O-N 2.69Å; L236-I240 HydrophobicContact CD1-CD1 4.1Å; L236-I240 HydrophobicContact CD1-CG1 4.23Å; L236-I240 HydrophobicContact CD2-CD1 4.32Å; L236-I240 HydrophobicContact CG-CD1 3.79Å; L236-I240 HydrophobicContact CG-CG1 4.37Å; L236-I240 WeakPolarHBondContact O-CB 3.44Å; L236-I240 VanDerWaalsContact O-CG1 3.32Å; L236-I240 WeakPolarHBondContact O-CG1 3.36Å; L236-I240 PolarHBondContact O-N 3.25Å; L236-K256 HydrophobicContact CD1-CB 3.95Å; L236-A260 HydrophobicContact CD2-CB 3.31Å |
| 237 | L | 96.1 | Very high | 95 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67 | -36 | 178.3 | -67 | 178.8 | 0 | 0 | 0 | 112.3 | T175 F232 T233 E235 A241 Y290 R294 | T175-L237 HydrophobicContact CG2-CD1 3.68Å; F232-L237 HydrophobicContact CD1-CD2 4.24Å; T233-L237 VanDerWaalsContact O-CG 3.29Å; T233-L237 WeakPolarHBondContact O-CG 3.46Å; T233-L237 PolarHBondContact O-N 2.84Å; E235-L237 VanDerWaalsContact C-N 3.31Å; E235-L237 PolarHBondContact O-N 3.37Å; L237-A241 WeakPolarHBondContact O-CB 3.16Å; L237-A241 PolarHBondContact O-N 3.19Å; L237-Y290 WeakPolarHBondContact CD1-OH 3.47Å; L237-R294 HydrophobicContact CD2-CG 4.03Å |
| 238 | A | 96.5 | Very high | 95.3 | Very high | 54 Ų | 54 | 47.5 Ų | 47.5 | 45% | 0.446 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | D234 E235 L236 I240 A241 D242 | D234-A238 PolarHBondContact O-N 3.43Å; D234-A238 VanDerWaalsContact O-N 3.09Å; E235-A238 PolarHBondContact O-N 3.42Å; L236-A238 VanDerWaalsContact C-N 3.34Å; A238-I240 PolarHBondContact O-N 3.19Å; A238-A241 WeakPolarHBondContact O-CB 3.24Å; A238-A241 PolarHBondContact O-N 3.27Å; A238-D242 PolarHBondContact O-N 2.99Å |
| 239 | E | 97.6 | Very high | 95.6 | Very high | 60 Ų | 60 | 45.9 Ų | 45.9 | 28% | 0.28 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -45.2 | 177 | -168.6 | -172.5 | 137.3 | 0 | 0 | 112.5 | E235 L236 A241 D242 Y243 K256 | E235-E239 PolarHBondContact O-N 3.19Å; L236-E239 PolarHBondContact O-N 2.69Å; E239-A241 VanDerWaalsContact C-N 3.26Å; E239-A241 PolarHBondContact O-N 3.17Å; E239-D242 PolarHBondContact O-N 3.23Å; E239-D242 VanDerWaalsContact O-N 3.09Å; E239-Y243 HydrophobicContact CG-CE1 3.91Å; E239-Y243 VanDerWaalsContact O-CD1 3.24Å; E239-Y243 WeakPolarHBondContact O-CD1 3.45Å; E239-Y243 PolarHBondContact O-N 2.75Å; E239-K256 WeakPolarHBondContact OE1-CD 3.19Å; E239-K256 WeakPolarHBondContact OE1-CE 3.08Å; E239-K256 IonicContact OE1-NZ 3.33Å; E239-K256 PolarHBondContact OE1-NZ 3.05Å; E239-K256 IonicContact OE2-NZ 3.38Å; E239-K256 PolarHBondContact OE2-NZ 3.13Å |
| 240 | I | 97.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -37.8 | 176.6 | -73.4 | 164.8 | 0 | 0 | 0 | 111.2 | L236 A238 D242 Y243 F249 F257 | L236-I240 HydrophobicContact CD1-CD1 4.1Å; L236-I240 HydrophobicContact CD1-CG1 4.23Å; L236-I240 HydrophobicContact CD2-CD1 4.32Å; L236-I240 HydrophobicContact CG-CD1 3.79Å; L236-I240 HydrophobicContact CG-CG1 4.37Å; L236-I240 WeakPolarHBondContact O-CB 3.44Å; L236-I240 VanDerWaalsContact O-CG1 3.32Å; L236-I240 WeakPolarHBondContact O-CG1 3.36Å; L236-I240 PolarHBondContact O-N 3.25Å; A238-I240 PolarHBondContact O-N 3.19Å; I240-D242 PolarHBondContact O-N 3.31Å; I240-Y243 HydrophobicContact CB-CE2 4.47Å; I240-Y243 HydrophobicContact CG1-CE2 3.92Å; I240-Y243 PolarHBondContact O-N 2.8Å; I240-F249 HydrophobicContact CG2-CE1 3.43Å; I240-F249 VanDerWaalsContact CG2-CE1 3.43Å; I240-F249 HydrophobicContact CG2-CZ 3.58Å; I240-F257 HydrophobicContact CD1-CD2 3.83Å |
| 241 | A | 96.3 | Very high | 95.8 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -26.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L237 A238 E239 M301 H302 | L237-A241 WeakPolarHBondContact O-CB 3.16Å; L237-A241 PolarHBondContact O-N 3.19Å; A238-A241 WeakPolarHBondContact O-CB 3.24Å; A238-A241 PolarHBondContact O-N 3.27Å; E239-A241 VanDerWaalsContact C-N 3.26Å; E239-A241 PolarHBondContact O-N 3.17Å; A241-M301 HydrophobicContact CB-CE 3.67Å; A241-H302 PolarHBondContact O-CE1 3.19Å; A241-H302 VanDerWaalsContact O-CE1 3.31Å |
| 242 | D | 96.5 | Very high | 95.8 | Very high | 128 Ų | 128 | 40.8 Ų | 40.8 | 68% | 0.684 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 3.6 | -178.2 | -68 | -16.8 | 0 | 0 | 0 | 113.8 | A238 E239 I240 E244 | A238-D242 PolarHBondContact O-N 2.99Å; E239-D242 PolarHBondContact O-N 3.23Å; E239-D242 VanDerWaalsContact O-N 3.09Å; I240-D242 PolarHBondContact O-N 3.31Å; D242-E244 PolarHBondContact O-N 2.78Å |
| 243 | Y | 97.7 | Very high | 95.7 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.02 | 25% | 0.252 | C | S | . | . | trans | -58.3 | 131.8 | 174.8 | -75.5 | -5.4 | 0 | 0 | 0 | 111.1 | E239 I240 E248 F249 N254 W298 H302 | E239-Y243 HydrophobicContact CG-CE1 3.91Å; E239-Y243 VanDerWaalsContact O-CD1 3.24Å; E239-Y243 WeakPolarHBondContact O-CD1 3.45Å; E239-Y243 PolarHBondContact O-N 2.75Å; I240-Y243 HydrophobicContact CB-CE2 4.47Å; I240-Y243 HydrophobicContact CG1-CE2 3.92Å; I240-Y243 PolarHBondContact O-N 2.8Å; Y243-E248 HydrophobicContact CD1-CB 4.06Å; Y243-E248 HydrophobicContact CD2-CB 3.51Å; Y243-E248 HydrophobicContact CE1-CB 4.36Å; Y243-E248 HydrophobicContact CE2-CB 3.86Å; Y243-E248 VanDerWaalsContact CE2-O 3.29Å; Y243-E248 WeakPolarHBondContact CE2-O 3.28Å; Y243-E248 HydrophobicContact CG-CB 3.63Å; Y243-E248 HydrophobicContact CG-CG 4.5Å; Y243-F249 HydrophobicContact CD2-CD1 4.35Å; Y243-F249 AromaticContact CD2-CD2 3.94Å; Y243-F249 HydrophobicContact CD2-CD2 3.94Å; Y243-F249 HydrophobicContact CD2-CE1 4.28Å; Y243-F249 AromaticContact CD2-CE2 3.82Å; Y243-F249 HydrophobicContact CD2-CE2 3.82Å; Y243-F249 HydrophobicContact CD2-CG 4.23Å; Y243-F249 HydrophobicContact CD2-CZ 4.01Å; Y243-F249 HydrophobicContact CE2-CD1 4.32Å; Y243-F249 HydrophobicContact CE2-CE1 4.47Å; Y243-F249 HydrophobicContact CE2-CG 4.41Å; Y243-N254 PolarHBondContact OH-ND2 2.91Å; Y243-N254 VanDerWaalsContact OH-ND2 3.09Å; Y243-W298 PolarHBondContact O-NE1 2.77Å; Y243-H302 PolarHBondContact O-CE1 3.41Å; Y243-H302 PolarHBondContact O-NE2 3.21Å | ||
| 244 | E | 95.9 | Very high | 95.8 | Very high | 173 Ų | 173 | 46.1 Ų | 46.1 | 81% | 0.808 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -81.1 | -21.4 | -177.6 | -61.8 | -177.8 | 167 | 0 | 0 | 111.9 | D242 E248 | D242-E244 PolarHBondContact O-N 2.78Å; E244-E248 PolarHBondContact N-OE1 2.94Å |
| 245 | S | 96.1 | Very high | 96 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 25% | 0.245 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -146.8 | 153.1 | -176 | 70.5 | 0 | 0 | 0 | 0 | 113.7 | A247 E248 | S245-A247 PolarHBondContact O-N 3.38Å; S245-A247 VanDerWaalsContact O-N 3.1Å; S245-E248 PolarHBondContact N-OE1 2.74Å; S245-E248 PolarHBondContact O-N 3.44Å; S245-E248 VanDerWaalsContact O-N 3.14Å; S245-E248 PolarHBondContact OG-OE1 3.12Å |
| 246 | L | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -58.3 | -25 | 172.7 | 170.9 | 68 | 0 | 0 | 0 | 112.3 | P143 P147 E248 F249 F295 W298 Y307 L336 | P143-L246 HydrophobicContact CB-CG 4.26Å; P143-L246 WeakPolarHBondContact O-CD2 3.41Å; P143-L246 WeakPolarHBondContact O-CG 3.24Å; P147-L246 HydrophobicContact CG-CD1 4.44Å; P147-L246 HydrophobicContact CG-CD2 3.83Å; L246-E248 PolarHBondContact O-N 2.74Å; L246-F249 HydrophobicContact CD1-CD2 4.15Å; L246-F249 PolarHBondContact O-N 2.8Å; L246-F249 VanDerWaalsContact O-N 3.17Å; L246-F295 HydrophobicContact CD1-CE2 3.75Å; L246-F295 HydrophobicContact CD1-CZ 4.09Å; L246-W298 HydrophobicContact CB-CH2 4.04Å; L246-W298 HydrophobicContact CB-CZ3 4.38Å; L246-Y307 HydrophobicContact CD2-CD2 3.72Å; L246-Y307 HydrophobicContact CD2-CE2 3.81Å; L246-L336 HydrophobicContact CD2-CD1 3.78Å; L246-L336 HydrophobicContact CD2-CD2 4.09Å; L246-L336 HydrophobicContact CD2-CG 3.97Å |
| 247 | A | 96.7 | Very high | 96 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 12% | 0.124 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -55.9 | -34.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S245 F249 G250 K253 P308 | S245-A247 PolarHBondContact O-N 3.38Å; S245-A247 VanDerWaalsContact O-N 3.1Å; A247-F249 PolarHBondContact O-N 3.27Å; A247-G250 PolarHBondContact O-N 3.5Å; A247-K253 HydrophobicContact CB-CB 4.27Å; A247-K253 HydrophobicContact CB-CG 4.24Å; A247-K253 VanDerWaalsContact O-CB 3.29Å; A247-K253 WeakPolarHBondContact O-CB 3.48Å; A247-P308 HydrophobicContact CB-CB 4.01Å; A247-P308 HydrophobicContact CB-CG 4.16Å |
| 248 | E | 97.3 | Very high | 96 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -70.4 | -12.3 | -176.8 | -65.5 | 172.7 | -97.9 | 0 | 0 | 114.1 | Y243 E244 S245 L246 G250 K253 N254 | Y243-E248 HydrophobicContact CD1-CB 4.06Å; Y243-E248 HydrophobicContact CD2-CB 3.51Å; Y243-E248 HydrophobicContact CE1-CB 4.36Å; Y243-E248 HydrophobicContact CE2-CB 3.86Å; Y243-E248 VanDerWaalsContact CE2-O 3.29Å; Y243-E248 WeakPolarHBondContact CE2-O 3.28Å; Y243-E248 HydrophobicContact CG-CB 3.63Å; Y243-E248 HydrophobicContact CG-CG 4.5Å; E244-E248 PolarHBondContact N-OE1 2.94Å; S245-E248 PolarHBondContact N-OE1 2.74Å; S245-E248 PolarHBondContact O-N 3.44Å; S245-E248 VanDerWaalsContact O-N 3.14Å; S245-E248 PolarHBondContact OG-OE1 3.12Å; L246-E248 PolarHBondContact O-N 2.74Å; E248-G250 VanDerWaalsContact C-N 3.29Å; E248-K253 HydrophobicContact CG-CG 3.91Å; E248-N254 HydrophobicContact CB-CB 4.38Å; E248-N254 WeakPolarHBondContact O-CB 3.18Å |
| 249 | F | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -78 | -16.6 | 169.2 | -70.8 | -87.5 | 0 | 0 | 0 | 113 | V145 L146 I240 Y243 L246 A247 F257 W298 | V145-F249 HydrophobicContact CG1-CB 4.46Å; L146-F249 HydrophobicContact CD1-CB 3.74Å; L146-F249 HydrophobicContact CD1-CD1 3.18Å; L146-F249 HydrophobicContact CD1-CD2 4.06Å; L146-F249 HydrophobicContact CD1-CE1 3.63Å; L146-F249 HydrophobicContact CD1-CE2 4.45Å; L146-F249 HydrophobicContact CD1-CG 3.39Å; L146-F249 HydrophobicContact CD1-CZ 4.25Å; L146-F249 HydrophobicContact CG-CD1 4.48Å; I240-F249 HydrophobicContact CG2-CE1 3.43Å; I240-F249 VanDerWaalsContact CG2-CE1 3.43Å; I240-F249 HydrophobicContact CG2-CZ 3.58Å; Y243-F249 HydrophobicContact CD2-CD1 4.35Å; Y243-F249 AromaticContact CD2-CD2 3.94Å; Y243-F249 HydrophobicContact CD2-CD2 3.94Å; Y243-F249 HydrophobicContact CD2-CE1 4.28Å; Y243-F249 AromaticContact CD2-CE2 3.82Å; Y243-F249 HydrophobicContact CD2-CE2 3.82Å; Y243-F249 HydrophobicContact CD2-CG 4.23Å; Y243-F249 HydrophobicContact CD2-CZ 4.01Å; Y243-F249 HydrophobicContact CE2-CD1 4.32Å; Y243-F249 HydrophobicContact CE2-CE1 4.47Å; Y243-F249 HydrophobicContact CE2-CG 4.41Å; L246-F249 HydrophobicContact CD1-CD2 4.15Å; L246-F249 PolarHBondContact O-N 2.8Å; L246-F249 VanDerWaalsContact O-N 3.17Å; A247-F249 PolarHBondContact O-N 3.27Å; F249-F257 HydrophobicContact CB-CD1 4.2Å; F249-F257 HydrophobicContact CD1-CB 4.27Å; F249-F257 HydrophobicContact CD1-CD1 4.01Å; F249-F257 AromaticContact CD1-CD2 3.74Å; F249-F257 HydrophobicContact CD1-CD2 3.74Å; F249-F257 HydrophobicContact CD1-CE1 4.31Å; F249-F257 HydrophobicContact CD1-CE2 4.06Å; F249-F257 AromaticContact CD1-CG 3.71Å; F249-F257 HydrophobicContact CD1-CG 3.71Å; F249-F257 HydrophobicContact CD1-CZ 4.34Å; F249-F257 HydrophobicContact CE1-CD2 4.14Å; F249-F257 HydrophobicContact CE1-CE2 4.34Å; F249-F257 VanDerWaalsContact O-CD1 3.27Å; F249-F257 WeakPolarHBondContact O-CD1 3.18Å; F249-W298 AromaticContact CE2-CD2 3.7Å; F249-W298 HydrophobicContact CE2-CD2 3.7Å; F249-W298 AromaticContact CE2-CE2 3.95Å; F249-W298 HydrophobicContact CE2-CE3 4.02Å; F249-W298 AromaticContact CE2-CG 3.95Å; F249-W298 HydrophobicContact CE2-CG 3.95Å; F249-W298 HydrophobicContact CE2-CZ2 4.46Å; F249-W298 HydrophobicContact CZ-CB 4.09Å; F249-W298 HydrophobicContact CZ-CD2 4.08Å; F249-W298 AromaticContact CZ-CG 3.85Å; F249-W298 HydrophobicContact CZ-CG 3.85Å |
| 250 | G | 95.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -98 | 141.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A247 E248 C252 K253 N254 E258 | A247-G250 PolarHBondContact O-N 3.5Å; E248-G250 VanDerWaalsContact C-N 3.29Å; G250-C252 PolarHBondContact O-N 3.19Å; G250-C252 VanDerWaalsContact O-N 3.09Å; G250-K253 PolarHBondContact O-N 3.48Å; G250-N254 CarbonylContact C-O 3.49Å; G250-N254 PolarHBondContact O-N 2.73Å; G250-N254 VanDerWaalsContact O-O 3.07Å; G250-E258 WeakPolarHBondContact CA-OE1 3.43Å |
| 251 | V | 93.7 | Very high | 95.8 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -36.6 | 177.8 | 163.3 | 0 | 0 | 0 | 0 | 113.8 | E37 L41 V141 K253 V255 E258 | E37-V251 HydrophobicContact CB-CB 4.47Å; E37-V251 HydrophobicContact CB-CG1 3.78Å; E37-V251 HydrophobicContact CB-CG2 3.77Å; E37-V251 HydrophobicContact CG-CG2 3.82Å; E37-V251 WeakPolarHBondContact O-CG1 3.25Å; L41-V251 HydrophobicContact CB-CG1 4.19Å; L41-V251 HydrophobicContact CD2-CG1 4.49Å; V141-V251 HydrophobicContact CB-CB 4.28Å; V141-V251 PolarHBondContact O-N 2.68Å; V251-K253 PolarHBondContact O-N 2.84Å; V251-K253 VanDerWaalsContact O-N 3.1Å; V251-V255 HydrophobicContact CG1-CG1 4.24Å; V251-E258 HydrophobicContact CG2-CB 3.89Å; V251-E258 HydrophobicContact CG2-CG 4.3Å; V251-E258 WeakPolarHBondContact CG2-OE1 3.5Å; V251-E258 PolarHBondContact N-OE1 3Å |
| 252 | C | 92.7 | Very high | 95.7 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 13% | 0.128 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.2 | 179.1 | 59.4 | 0 | 0 | 0 | 0 | 114.5 | L41 V141 G250 A313 C314 | L41-C252 HydrophobicContact CD1-CB 4.11Å; L41-C252 HydrophobicContact CD2-CB 4.3Å; V141-C252 PolarHBondContact O-N 2.71Å; G250-C252 PolarHBondContact O-N 3.19Å; G250-C252 VanDerWaalsContact O-N 3.09Å; C252-A313 WeakPolarHBondContact CB-O 3.15Å; C252-C314 HydrophobicContact CB-CB 3.73Å; C252-C314 WeakPolarHBondContact CB-SG 3.25Å; C252-C314 WeakPolarHBondContact SG-CB 3.27Å; C252-C314 CovalentContact SG-SG 2.04Å; C252-C314 PolarHBondContact SG-SG 3.08Å |
| 253 | K | 94.8 | Very high | 95.6 | Very high | 141 Ų | 141 | 36.8 Ų | 36.8 | 61% | 0.613 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -47.6 | 175.4 | -178.9 | 64.2 | 176.8 | -176.2 | 0 | 112.6 | A247 E248 G250 V251 | A247-K253 HydrophobicContact CB-CB 4.27Å; A247-K253 HydrophobicContact CB-CG 4.24Å; A247-K253 VanDerWaalsContact O-CB 3.29Å; A247-K253 WeakPolarHBondContact O-CB 3.48Å; E248-K253 HydrophobicContact CG-CG 3.91Å; G250-K253 PolarHBondContact O-N 3.48Å; V251-K253 PolarHBondContact O-N 2.84Å; V251-K253 VanDerWaalsContact O-N 3.1Å |
| 254 | N | 95.1 | Very high | 95.5 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 16% | 0.16 | 18% | 0.178 | C | C | . | . | trans | -146.8 | 123.1 | -180 | 179.8 | -4.3 | 0 | 0 | 0 | 110.2 | Y243 E248 G250 K256 | Y243-N254 PolarHBondContact OH-ND2 2.91Å; Y243-N254 VanDerWaalsContact OH-ND2 3.09Å; E248-N254 HydrophobicContact CB-CB 4.38Å; E248-N254 WeakPolarHBondContact O-CB 3.18Å; G250-N254 CarbonylContact C-O 3.49Å; G250-N254 PolarHBondContact O-N 2.73Å; G250-N254 VanDerWaalsContact O-O 3.07Å; N254-K256 VanDerWaalsContact C-N 3.35Å; N254-K256 PolarHBondContact O-N 2.67Å; N254-K256 WeakPolarHBondContact OD1-CB 3.46Å; N254-K256 WeakPolarHBondContact OD1-CG 3.35Å; N254-K256 PolarHBondContact OD1-N 3.15Å | ||
| 255 | V | 94.3 | Very high | 95.5 | Very high | 51 Ų | 51 | 28.7 Ų | 28.7 | 31% | 0.309 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -78.2 | -17.9 | -173.6 | -57 | 0 | 0 | 0 | 0 | 113.7 | E37 V251 F257 K259 | E37-V255 HydrophobicContact CB-CB 4.29Å; E37-V255 HydrophobicContact CB-CG1 4.12Å; E37-V255 HydrophobicContact CG-CB 4.25Å; V251-V255 HydrophobicContact CG1-CG1 4.24Å; V255-F257 PolarHBondContact O-N 2.78Å; V255-K259 WeakPolarHBondContact O-CB 3.4Å; V255-K259 PolarHBondContact O-N 2.97Å |
| 256 | K | 95.9 | Very high | 95.4 | Very high | 93 Ų | 93 | 28.8 Ų | 28.8 | 40% | 0.404 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.2 | -45.4 | -162.9 | -74.1 | 171.6 | 177.4 | 179.7 | 0 | 113 | L236 E239 N254 A260 | L236-K256 HydrophobicContact CD1-CB 3.95Å; E239-K256 WeakPolarHBondContact OE1-CD 3.19Å; E239-K256 WeakPolarHBondContact OE1-CE 3.08Å; E239-K256 IonicContact OE1-NZ 3.33Å; E239-K256 PolarHBondContact OE1-NZ 3.05Å; E239-K256 IonicContact OE2-NZ 3.38Å; E239-K256 PolarHBondContact OE2-NZ 3.13Å; N254-K256 VanDerWaalsContact C-N 3.35Å; N254-K256 PolarHBondContact O-N 2.67Å; N254-K256 WeakPolarHBondContact OD1-CB 3.46Å; N254-K256 WeakPolarHBondContact OD1-CG 3.35Å; N254-K256 PolarHBondContact OD1-N 3.15Å; K256-A260 WeakPolarHBondContact O-CB 3.4Å; K256-A260 PolarHBondContact O-N 2.77Å |
| 257 | F | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.9 | -58.5 | -179.1 | 171.3 | -97.9 | 0 | 0 | 0 | 112.3 | L146 F232 I240 F249 V255 K259 A260 L261 V291 | L146-F257 HydrophobicContact CD1-CE1 4.2Å; L146-F257 HydrophobicContact CD1-CZ 4.06Å; L146-F257 HydrophobicContact CD2-CE1 4.16Å; L146-F257 HydrophobicContact CD2-CZ 3.69Å; L146-F257 HydrophobicContact CG-CE1 4.08Å; L146-F257 HydrophobicContact CG-CZ 4.04Å; F232-F257 HydrophobicContact CE1-CD2 4.36Å; F232-F257 HydrophobicContact CE1-CE2 4.24Å; I240-F257 HydrophobicContact CD1-CD2 3.83Å; F249-F257 HydrophobicContact CB-CD1 4.2Å; F249-F257 HydrophobicContact CD1-CB 4.27Å; F249-F257 HydrophobicContact CD1-CD1 4.01Å; F249-F257 AromaticContact CD1-CD2 3.74Å; F249-F257 HydrophobicContact CD1-CD2 3.74Å; F249-F257 HydrophobicContact CD1-CE1 4.31Å; F249-F257 HydrophobicContact CD1-CE2 4.06Å; F249-F257 AromaticContact CD1-CG 3.71Å; F249-F257 HydrophobicContact CD1-CG 3.71Å; F249-F257 HydrophobicContact CD1-CZ 4.34Å; F249-F257 HydrophobicContact CE1-CD2 4.14Å; F249-F257 HydrophobicContact CE1-CE2 4.34Å; F249-F257 VanDerWaalsContact O-CD1 3.27Å; F249-F257 WeakPolarHBondContact O-CD1 3.18Å; V255-F257 PolarHBondContact O-N 2.78Å; F257-K259 VanDerWaalsContact C-N 3.28Å; F257-K259 PolarHBondContact O-N 3.14Å; F257-A260 WeakPolarHBondContact O-CB 3.19Å; F257-A260 PolarHBondContact O-N 3.03Å; F257-A260 VanDerWaalsContact O-N 3.08Å; F257-L261 PolarHBondContact O-N 2.82Å; F257-V291 HydrophobicContact CE2-CB 3.98Å; F257-V291 HydrophobicContact CE2-CG1 4.16Å; F257-V291 HydrophobicContact CZ-CB 3.77Å; F257-V291 HydrophobicContact CZ-CG1 4.16Å; F257-V291 HydrophobicContact CZ-CG2 4.19Å |
| 258 | E | 95.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -32.3 | -178.6 | -68.4 | -167.4 | -102.2 | 0 | 0 | 112.1 | H140 V141 V145 G250 V251 A260 L261 R262 | H140-E258 IonicContact ND1-OE2 3.86Å; V141-E258 WeakPolarHBondContact CA-OE1 3.44Å; V141-E258 PolarHBondContact N-OE1 2.98Å; V141-E258 VanDerWaalsContact N-OE1 3.09Å; V141-E258 PolarHBondContact N-OE2 3.31Å; V145-E258 HydrophobicContact CG2-CG 4.4Å; G250-E258 WeakPolarHBondContact CA-OE1 3.43Å; V251-E258 HydrophobicContact CG2-CB 3.89Å; V251-E258 HydrophobicContact CG2-CG 4.3Å; V251-E258 WeakPolarHBondContact CG2-OE1 3.5Å; V251-E258 PolarHBondContact N-OE1 3Å; E258-A260 VanDerWaalsContact C-N 3.35Å; E258-L261 PolarHBondContact O-N 3Å; E258-R262 WeakPolarHBondContact O-CB 3.44Å; E258-R262 PolarHBondContact O-N 3.38Å |
| 259 | K | 94.9 | Very high | 95 | Very high | 76 Ų | 76 | 28.1 Ų | 28.1 | 33% | 0.33 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 171.6 | -179.1 | 178.7 | -178.4 | -177.5 | 0 | 111.5 | E37 V255 F257 R262 K263 | E37-K259 HydrophobicContact CG-CB 4.26Å; E37-K259 WeakPolarHBondContact OE1-CA 3.36Å; E37-K259 WeakPolarHBondContact OE1-CB 3.45Å; V255-K259 WeakPolarHBondContact O-CB 3.4Å; V255-K259 PolarHBondContact O-N 2.97Å; F257-K259 VanDerWaalsContact C-N 3.28Å; F257-K259 PolarHBondContact O-N 3.14Å; K259-R262 PolarHBondContact O-N 2.89Å; K259-K263 HydrophobicContact CG-CD 4.25Å; K259-K263 HydrophobicContact CG-CG 4.5Å; K259-K263 WeakPolarHBondContact O-CB 3.47Å; K259-K263 WeakPolarHBondContact O-CG 3.39Å; K259-K263 PolarHBondContact O-N 2.73Å |
| 260 | A | 96.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 3% | 0.033 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.5 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S231 F232 L236 K256 F257 E258 K263 T264 | S231-A260 VanDerWaalsContact CB-CA 3.5Å; F232-A260 HydrophobicContact CD1-CB 4.41Å; F232-A260 HydrophobicContact CE1-CB 4.24Å; F232-A260 HydrophobicContact CZ-CB 4.28Å; L236-A260 HydrophobicContact CD2-CB 3.31Å; K256-A260 WeakPolarHBondContact O-CB 3.4Å; K256-A260 PolarHBondContact O-N 2.77Å; F257-A260 WeakPolarHBondContact O-CB 3.19Å; F257-A260 PolarHBondContact O-N 3.03Å; F257-A260 VanDerWaalsContact O-N 3.08Å; E258-A260 VanDerWaalsContact C-N 3.35Å; A260-K263 PolarHBondContact O-N 2.82Å; A260-T264 VanDerWaalsContact O-CB 3.29Å; A260-T264 WeakPolarHBondContact O-CB 3.42Å; A260-T264 PolarHBondContact O-N 3.17Å; A260-T264 PolarHBondContact O-OG1 3.28Å |
| 261 | L | 96.4 | Very high | 94.9 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.9 | -49 | 173.1 | 178.2 | 56 | 0 | 0 | 0 | 111.4 | F232 F257 E258 T264 R265 L287 L288 V291 | F232-L261 HydrophobicContact CZ-CB 4.14Å; F257-L261 PolarHBondContact O-N 2.82Å; E258-L261 PolarHBondContact O-N 3Å; L261-T264 PolarHBondContact O-N 3.17Å; L261-R265 WeakPolarHBondContact O-CG 3.38Å; L261-R265 PolarHBondContact O-N 2.76Å; L261-L287 HydrophobicContact CD1-CD2 3.76Å; L261-L287 HydrophobicContact CD1-CG 3.85Å; L261-L288 HydrophobicContact CD2-CD2 4.41Å; L261-V291 HydrophobicContact CD1-CG1 4.13Å |
| 262 | R | 94.1 | Very high | 95 | Very high | 26 Ų | 26 | 28.7 Ų | 28.7 | 10% | 0.098 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.9 | -51.9 | 175.8 | 173.8 | -176.8 | 55 | 86.5 | -6.8 | 111.7 | W36 E37 E258 K259 T264 R265 Q266 | W36-R262 HydrophobicContact CE3-CG 4.44Å; W36-R262 HydrophobicContact CH2-CB 4.3Å; W36-R262 HydrophobicContact CH2-CG 4.2Å; W36-R262 HydrophobicContact CZ3-CB 4.06Å; W36-R262 HydrophobicContact CZ3-CG 4.16Å; E37-R262 IonicContact OE1-CZ 2.65Å; E37-R262 IonicContact OE1-NE 3.6Å; E37-R262 PolarHBondContact OE1-NE 3.24Å; E37-R262 IonicContact OE1-NH2 3.5Å; E37-R262 PolarHBondContact OE1-NH2 3.4Å; E37-R262 IonicContact OE2-NH2 3.55Å; E37-R262 PolarHBondContact OE2-NH2 2.55Å; E258-R262 WeakPolarHBondContact O-CB 3.44Å; E258-R262 PolarHBondContact O-N 3.38Å; K259-R262 PolarHBondContact O-N 2.89Å; R262-T264 VanDerWaalsContact C-N 3.25Å; R262-T264 PolarHBondContact O-N 3.37Å; R262-R265 WeakPolarHBondContact O-CB 3.37Å; R262-R265 PolarHBondContact O-N 3.48Å; R262-R265 VanDerWaalsContact O-N 3.16Å; R262-Q266 HydrophobicContact CG-CG 4.1Å; R262-Q266 WeakPolarHBondContact O-CG 3.35Å; R262-Q266 PolarHBondContact O-N 3.14Å |
| 263 | K | 94.6 | Very high | 95 | Very high | 47 Ų | 47 | 29.2 Ų | 29.2 | 20% | 0.204 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.1 | -36.2 | -175.8 | -79.7 | -176.7 | 164.2 | -164 | 0 | 111.9 | G228 E229 S231 K259 A260 Q266 W267 | G228-K263 WeakPolarHBondContact CA-O 3.32Å; E229-K263 HydrophobicContact CG-CD 4.18Å; E229-K263 PolarHBondContact N-O 2.91Å; E229-K263 CarbonylContact O-C 3.33Å; E229-K263 VanDerWaalsContact O-C 3.23Å; E229-K263 IonicContact OE1-NZ 2.86Å; E229-K263 PolarHBondContact OE1-NZ 3.41Å; S231-K263 WeakPolarHBondContact OG-CB 3.36Å; S231-K263 VanDerWaalsContact OG-CD 3.24Å; S231-K263 WeakPolarHBondContact OG-CD 3.43Å; K259-K263 HydrophobicContact CG-CD 4.25Å; K259-K263 HydrophobicContact CG-CG 4.5Å; K259-K263 WeakPolarHBondContact O-CB 3.47Å; K259-K263 WeakPolarHBondContact O-CG 3.39Å; K259-K263 PolarHBondContact O-N 2.73Å; A260-K263 PolarHBondContact O-N 2.82Å; K263-Q266 PolarHBondContact O-N 3.13Å; K263-W267 WeakPolarHBondContact O-CB 3.48Å; K263-W267 PolarHBondContact O-N 3.14Å |
| 264 | T | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.9 | -44 | 174.2 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | W172 P174 E229 M230 S231 F232 A260 L261 R262 W267 V268 L287 | W172-T264 HydrophobicContact CH2-CG2 4.14Å; W172-T264 HydrophobicContact CZ3-CG2 4.1Å; P174-T264 HydrophobicContact CB-CG2 3.94Å; P174-T264 HydrophobicContact CG-CG2 4.47Å; E229-T264 PolarHBondContact O-N 3.21Å; M230-T264 HydrophobicContact SD-CG2 3.79Å; S231-T264 PolarHBondContact N-OG1 2.88Å; F232-T264 HydrophobicContact CD2-CG2 4.36Å; F232-T264 WeakPolarHBondContact CD2-OG1 3.48Å; A260-T264 VanDerWaalsContact O-CB 3.29Å; A260-T264 WeakPolarHBondContact O-CB 3.42Å; A260-T264 PolarHBondContact O-N 3.17Å; A260-T264 PolarHBondContact O-OG1 3.28Å; L261-T264 PolarHBondContact O-N 3.17Å; R262-T264 VanDerWaalsContact C-N 3.25Å; R262-T264 PolarHBondContact O-N 3.37Å; T264-W267 WeakPolarHBondContact O-CB 3.45Å; T264-W267 PolarHBondContact O-N 3.33Å; T264-V268 PolarHBondContact O-N 2.99Å; T264-L287 HydrophobicContact CG2-CD1 3.84Å; T264-L287 HydrophobicContact CG2-CD2 4.04Å |
| 265 | R | 95.1 | Very high | 94.2 | Very high | 8 Ų | 8 | 28 Ų | 28 | 3% | 0.03 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 172.2 | -75.1 | -167.5 | -59.3 | 101.6 | -2.2 | 112.7 | L261 R262 W267 V268 G269 M272 E273 L275 L287 | L261-R265 WeakPolarHBondContact O-CG 3.38Å; L261-R265 PolarHBondContact O-N 2.76Å; R262-R265 WeakPolarHBondContact O-CB 3.37Å; R262-R265 PolarHBondContact O-N 3.48Å; R262-R265 VanDerWaalsContact O-N 3.16Å; R265-W267 VanDerWaalsContact C-N 3.26Å; R265-W267 PolarHBondContact O-N 3.38Å; R265-V268 PolarHBondContact O-N 3.19Å; R265-G269 PolarHBondContact O-N 2.83Å; R265-G269 VanDerWaalsContact O-N 3.08Å; R265-M272 HydrophobicContact CB-CE 4.46Å; R265-M272 WeakPolarHBondContact CB-O 3.31Å; R265-M272 HydrophobicContact CG-CE 3.94Å; R265-M272 PolarHBondContact NH1-O 3.01Å; R265-M272 VanDerWaalsContact NH1-O 3.1Å; R265-E273 PolarHBondContact NH1-O 2.91Å; R265-L275 VanDerWaalsContact NH2-CD2 3.3Å; R265-L287 HydrophobicContact CG-CD2 3.56Å |
| 266 | Q | 94 | Very high | 93.8 | Very high | 36 Ų | 36 | 30.8 Ų | 30.8 | 17% | 0.168 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.2 | -32 | 177 | -71.6 | -178.1 | -32.3 | 0 | 0 | 112.6 | H227 R262 K263 G269 E273 | H227-Q266 CarbonylContact C-O 3.53Å; H227-Q266 HydrophobicContact CB-CB 4.41Å; H227-Q266 CarbonylContact O-C 3.27Å; H227-Q266 VanDerWaalsContact O-O 3.05Å; R262-Q266 HydrophobicContact CG-CG 4.1Å; R262-Q266 WeakPolarHBondContact O-CG 3.35Å; R262-Q266 PolarHBondContact O-N 3.14Å; K263-Q266 PolarHBondContact O-N 3.13Å; Q266-G269 WeakPolarHBondContact O-CA 3.02Å; Q266-G269 PolarHBondContact O-N 3.08Å; Q266-G269 VanDerWaalsContact O-N 3.1Å; Q266-E273 HydrophobicContact CG-CG 4.23Å |
| 267 | W | 94.2 | Very high | 93.6 | Very high | 36 Ų | 36 | 27.8 Ų | 27.8 | 14% | 0.136 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.3 | -38 | 173.8 | -177.2 | 85.2 | 0 | 0 | 0 | 112.6 | W189 L224 G225 H227 M230 K263 T264 R265 G269 | W189-W267 HydrophobicContact CZ2-CH2 4.28Å; W189-W267 AromaticContact CZ2-CZ3 3.89Å; W189-W267 HydrophobicContact CZ2-CZ3 3.89Å; L224-W267 CarbonylContact C-O 3.57Å; L224-W267 VanDerWaalsContact CA-O 3.25Å; L224-W267 WeakPolarHBondContact CA-O 3.43Å; L224-W267 HydrophobicContact CD2-CE3 4.15Å; L224-W267 HydrophobicContact CD2-CH2 3.38Å; L224-W267 HydrophobicContact CD2-CZ2 4.15Å; L224-W267 HydrophobicContact CD2-CZ3 3.35Å; L224-W267 HydrophobicContact CG-CE3 4.26Å; L224-W267 HydrophobicContact CG-CH2 4.22Å; L224-W267 HydrophobicContact CG-CZ3 3.94Å; G225-W267 PolarHBondContact N-O 3.02Å; H227-W267 WeakPolarHBondContact O-CA 3.37Å; H227-W267 PolarHBondContact O-N 3.09Å; M230-W267 HydrophobicContact CE-CD2 3.87Å; M230-W267 HydrophobicContact CE-CE3 3.2Å; M230-W267 HydrophobicContact CE-CH2 3.6Å; M230-W267 HydrophobicContact CE-CZ2 4.23Å; M230-W267 HydrophobicContact CE-CZ3 3.06Å; M230-W267 HydrophobicContact CG-CD2 3.96Å; M230-W267 HydrophobicContact CG-CE3 4.27Å; M230-W267 HydrophobicContact CG-CG 4.31Å; M230-W267 HydrophobicContact CG-CZ2 4.4Å; M230-W267 HydrophobicContact SD-CD2 3.93Å; M230-W267 HydrophobicContact SD-CE3 3.74Å; M230-W267 HydrophobicContact SD-CG 4.35Å; M230-W267 HydrophobicContact SD-CZ3 4.2Å; K263-W267 WeakPolarHBondContact O-CB 3.48Å; K263-W267 PolarHBondContact O-N 3.14Å; T264-W267 WeakPolarHBondContact O-CB 3.45Å; T264-W267 PolarHBondContact O-N 3.33Å; R265-W267 VanDerWaalsContact C-N 3.26Å; R265-W267 PolarHBondContact O-N 3.38Å; W267-G269 VanDerWaalsContact C-N 3.29Å |
| 268 | V | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.8 | -38.8 | 170.1 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | W172 W189 R222 N223 L224 T264 R265 M272 L283 | W172-V268 HydrophobicContact CH2-CG2 3.72Å; W172-V268 HydrophobicContact CZ3-CG2 4.11Å; W189-V268 HydrophobicContact CH2-CG1 4.48Å; R222-V268 HydrophobicContact CG-CG1 3.95Å; N223-V268 CarbonylContact C-O 3.12Å; N223-V268 PolarHBondContact N-O 2.66Å; L224-V268 HydrophobicContact CD1-CG1 4.08Å; L224-V268 WeakPolarHBondContact CD1-O 3.16Å; T264-V268 PolarHBondContact O-N 2.99Å; R265-V268 PolarHBondContact O-N 3.19Å; V268-M272 HydrophobicContact CB-CB 3.82Å; V268-M272 HydrophobicContact CB-CE 4.5Å; V268-M272 HydrophobicContact CB-CG 4.09Å; V268-M272 HydrophobicContact CG1-CB 3.87Å; V268-M272 HydrophobicContact CG1-CG 3.74Å; V268-M272 HydrophobicContact CG2-CE 4.28Å; V268-L283 HydrophobicContact CG1-CD2 4.14Å; V268-L283 HydrophobicContact CG2-CD2 3.91Å |
| 269 | G | 94.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | trans | 68.3 | -171.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R265 Q266 W267 D271 M272 | R265-G269 PolarHBondContact O-N 2.83Å; R265-G269 VanDerWaalsContact O-N 3.08Å; Q266-G269 WeakPolarHBondContact O-CA 3.02Å; Q266-G269 PolarHBondContact O-N 3.08Å; Q266-G269 VanDerWaalsContact O-N 3.1Å; W267-G269 VanDerWaalsContact C-N 3.29Å; G269-D271 PolarHBondContact O-N 3.47Å; G269-M272 PolarHBondContact O-N 2.99Å | ||
| 270 | G | 94.7 | Very high | 93.6 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 10% | 0.103 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | 63.5 | -127.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K221 M272 E273 | K221-G270 CarbonylContact O-C 3.58Å; K221-G270 WeakPolarHBondContact O-CA 3.46Å; G270-M272 VanDerWaalsContact C-N 3.29Å; G270-M272 PolarHBondContact O-N 3.29Å; G270-E273 WeakPolarHBondContact O-CB 3.41Å; G270-E273 PolarHBondContact O-N 2.94Å |
| 271 | D | 95.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 6% | 0.064 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -66.2 | -31.7 | 179 | -72.1 | -49.9 | 0 | 0 | 0 | 112.4 | F220 K221 G269 E273 T277 A278 K280 | F220-D271 VanDerWaalsContact CA-OD2 3.22Å; F220-D271 WeakPolarHBondContact CA-OD2 3.46Å; K221-D271 WeakPolarHBondContact CG-OD2 3.11Å; K221-D271 PolarHBondContact N-OD2 2.68Å; K221-D271 PolarHBondContact O-N 3.15Å; G269-D271 PolarHBondContact O-N 3.47Å; D271-E273 PolarHBondContact O-N 3.23Å; D271-T277 CarbonylContact O-C 3.23Å; D271-T277 WeakPolarHBondContact O-CB 3.15Å; D271-T277 PolarHBondContact O-OG1 2.97Å; D271-A278 VanDerWaalsContact O-CA 3.23Å; D271-A278 WeakPolarHBondContact O-CA 3.17Å; D271-A278 PolarHBondContact O-N 2.91Å; D271-K280 HydrophobicContact CB-CB 4.31Å |
| 272 | M | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -64.6 | -21.7 | 176.8 | -80.4 | -75.4 | -81.2 | 0 | 0 | 113.8 | R265 V268 G269 G270 Y274 A278 D281 F284 L287 | R265-M272 HydrophobicContact CB-CE 4.46Å; R265-M272 WeakPolarHBondContact CB-O 3.31Å; R265-M272 HydrophobicContact CG-CE 3.94Å; R265-M272 PolarHBondContact NH1-O 3.01Å; R265-M272 VanDerWaalsContact NH1-O 3.1Å; V268-M272 HydrophobicContact CB-CB 3.82Å; V268-M272 HydrophobicContact CB-CE 4.5Å; V268-M272 HydrophobicContact CB-CG 4.09Å; V268-M272 HydrophobicContact CG1-CB 3.87Å; V268-M272 HydrophobicContact CG1-CG 3.74Å; V268-M272 HydrophobicContact CG2-CE 4.28Å; G269-M272 PolarHBondContact O-N 2.99Å; G270-M272 VanDerWaalsContact C-N 3.29Å; G270-M272 PolarHBondContact O-N 3.29Å; M272-Y274 VanDerWaalsContact C-N 3.35Å; M272-Y274 PolarHBondContact O-N 3.24Å; M272-A278 HydrophobicContact SD-CB 4.2Å; M272-D281 HydrophobicContact CG-CB 3.72Å; M272-D281 HydrophobicContact SD-CB 4.12Å; M272-F284 HydrophobicContact CE-CB 4.45Å; M272-F284 HydrophobicContact SD-CB 3.62Å; M272-F284 HydrophobicContact SD-CD2 4.21Å; M272-F284 HydrophobicContact SD-CG 4.4Å; M272-L287 HydrophobicContact CE-CD2 4.04Å |
| 273 | E | 91.8 | Very high | 93.8 | Very high | 29 Ų | 29 | 26.8 Ų | 26.8 | 14% | 0.136 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -63.7 | -39 | -176.1 | -171.4 | 167.8 | 172.3 | 0 | 0 | 112.6 | H227 R265 Q266 G270 D271 | H227-E273 IonicContact CE1-OE1 3.61Å; H227-E273 PolarHBondContact CE1-OE1 3.4Å; H227-E273 IonicContact CG-OE1 2.61Å; H227-E273 IonicContact ND1-OE1 2.66Å; H227-E273 PolarHBondContact ND1-OE1 2.95Å; H227-E273 IonicContact ND1-OE2 2.82Å; H227-E273 PolarHBondContact ND1-OE2 2.95Å; R265-E273 PolarHBondContact NH1-O 2.91Å; Q266-E273 HydrophobicContact CG-CG 4.23Å; G270-E273 WeakPolarHBondContact O-CB 3.41Å; G270-E273 PolarHBondContact O-N 2.94Å; D271-E273 PolarHBondContact O-N 3.23Å |
| 274 | Y | 87.3 | Confident | 94 | Very high | 122 Ų | 122 | 24.6 Ų | 24.6 | 48% | 0.478 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -107.5 | 139.4 | -172.4 | -50.5 | -80.1 | 0 | 0 | 0 | 111.4 | M272 K276 T277 A278 | M272-Y274 VanDerWaalsContact C-N 3.35Å; M272-Y274 PolarHBondContact O-N 3.24Å; Y274-K276 VanDerWaalsContact C-N 3.3Å; Y274-K276 PolarHBondContact O-N 3Å; Y274-T277 PolarHBondContact O-N 3.37Å; Y274-T277 VanDerWaalsContact O-N 3.13Å; Y274-T277 PolarHBondContact O-OG1 3.39Å; Y274-A278 WeakPolarHBondContact O-CB 3.34Å; Y274-A278 PolarHBondContact O-N 2.75Å |
| 275 | L | 86.9 | Confident | 94.2 | Very high | 25 Ų | 25 | 24.7 Ų | 24.7 | 13% | 0.131 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -52.8 | -48.2 | -179.3 | -66 | 175.1 | 0 | 0 | 0 | 111.6 | W36 M40 R265 T277 A278 | W36-L275 HydrophobicContact CZ2-CD1 4.45Å; M40-L275 HydrophobicContact SD-CD1 4.46Å; R265-L275 VanDerWaalsContact NH2-CD2 3.3Å; L275-T277 VanDerWaalsContact C-N 3.27Å; L275-T277 PolarHBondContact O-N 2.56Å; L275-A278 PolarHBondContact O-N 3.38Å |
| 276 | K | 84.2 | Confident | 94.3 | Very high | 109 Ų | 109 | 24.3 Ų | 24.3 | 47% | 0.474 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -62.7 | -26.6 | -178.2 | -175 | 167.9 | -178.1 | 168 | 0 | 115.1 | I16 Y274 | I16-K276 PolarHBondContact O-NZ 2.85Å; Y274-K276 VanDerWaalsContact C-N 3.3Å; Y274-K276 PolarHBondContact O-N 3Å |
| 277 | T | 91.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 22.6 Ų | 22.6 | 18% | 0.178 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -110.4 | -12.5 | -176.7 | 55 | 0 | 0 | 0 | 0 | 113.2 | D271 Y274 L275 G279 K280 | D271-T277 CarbonylContact O-C 3.23Å; D271-T277 WeakPolarHBondContact O-CB 3.15Å; D271-T277 PolarHBondContact O-OG1 2.97Å; Y274-T277 PolarHBondContact O-N 3.37Å; Y274-T277 VanDerWaalsContact O-N 3.13Å; Y274-T277 PolarHBondContact O-OG1 3.39Å; L275-T277 VanDerWaalsContact C-N 3.27Å; L275-T277 PolarHBondContact O-N 2.56Å; T277-G279 PolarHBondContact O-N 2.98Å; T277-K280 VanDerWaalsContact O-CB 3.26Å; T277-K280 WeakPolarHBondContact O-CB 3.22Å; T277-K280 WeakPolarHBondContact O-CG 3.42Å; T277-K280 PolarHBondContact O-N 3.34Å |
| 278 | A | 94.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.1 | -40.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D271 M272 Y274 L275 K280 D281 F284 | D271-A278 VanDerWaalsContact O-CA 3.23Å; D271-A278 WeakPolarHBondContact O-CA 3.17Å; D271-A278 PolarHBondContact O-N 2.91Å; M272-A278 HydrophobicContact SD-CB 4.2Å; Y274-A278 WeakPolarHBondContact O-CB 3.34Å; Y274-A278 PolarHBondContact O-N 2.75Å; L275-A278 PolarHBondContact O-N 3.38Å; A278-K280 PolarHBondContact O-N 2.94Å; A278-D281 PolarHBondContact O-N 2.93Å; A278-D281 VanDerWaalsContact O-N 3.09Å; A278-F284 HydrophobicContact CB-CD2 3.61Å; A278-F284 HydrophobicContact CB-CE2 3.86Å; A278-F284 HydrophobicContact CB-CG 4.2Å; A278-F284 VanDerWaalsContact O-CB 3.29Å; A278-F284 WeakPolarHBondContact O-CB 3.4Å |
| 279 | G | 96.3 | Very high | 95 | Very high | 6 Ų | 6 | 21 Ų | 21 | 6% | 0.062 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -16.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y124 T277 D281 Y285 | Y124-G279 WeakPolarHBondContact CE1-O 3.17Å; Y124-G279 PolarHBondContact OH-O 3.08Å; T277-G279 PolarHBondContact O-N 2.98Å; G279-D281 VanDerWaalsContact C-N 3.25Å; G279-D281 PolarHBondContact O-N 2.93Å; G279-Y285 WeakPolarHBondContact O-CE2 3.42Å |
| 280 | K | 96.3 | Very high | 95.2 | Very high | 91 Ų | 91 | 21 Ų | 21 | 40% | 0.396 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -29.5 | 174.7 | -65.8 | -177.5 | 175.6 | -174.8 | 0 | 113 | D271 T277 A278 | D271-K280 HydrophobicContact CB-CB 4.31Å; T277-K280 VanDerWaalsContact O-CB 3.26Å; T277-K280 WeakPolarHBondContact O-CB 3.22Å; T277-K280 WeakPolarHBondContact O-CG 3.42Å; T277-K280 PolarHBondContact O-N 3.34Å; A278-K280 PolarHBondContact O-N 2.94Å |
| 281 | D | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -90.5 | 120.9 | 178.3 | -169.6 | -26.5 | 0 | 0 | 0 | 109.5 | F220 R222 M272 A278 G279 L283 F284 | F220-D281 HydrophobicContact CB-CB 4.36Å; F220-D281 HydrophobicContact CG-CB 4.46Å; R222-D281 IonicContact CZ-OD1 3.28Å; R222-D281 IonicContact CZ-OD2 3.03Å; R222-D281 IonicContact NE-OD1 2.71Å; R222-D281 IonicContact NE-OD2 2.68Å; R222-D281 PolarHBondContact NE-OD2 2.83Å; R222-D281 IonicContact NH2-OD1 2.98Å; R222-D281 PolarHBondContact NH2-OD1 2.85Å; R222-D281 IonicContact NH2-OD2 2.75Å; R222-D281 PolarHBondContact NH2-OD2 3.36Å; M272-D281 HydrophobicContact CG-CB 3.72Å; M272-D281 HydrophobicContact SD-CB 4.12Å; A278-D281 PolarHBondContact O-N 2.93Å; A278-D281 VanDerWaalsContact O-N 3.09Å; G279-D281 VanDerWaalsContact C-N 3.25Å; G279-D281 PolarHBondContact O-N 2.93Å; D281-L283 PolarHBondContact O-N 2.95Å; D281-L283 VanDerWaalsContact OD1-CB 3.23Å; D281-L283 WeakPolarHBondContact OD1-CB 3.33Å; D281-L283 PolarHBondContact OD1-N 3.09Å; D281-F284 WeakPolarHBondContact O-CB 3.37Å; D281-F284 PolarHBondContact O-N 3.47Å |
| 282 | P | 98 | Very high | 95.5 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -24.1 | 177 | -27.7 | 36 | 0 | 0 | 0 | 114.2 | L110 Y124 M194 F206 F218 F220 F284 Y285 | L110-P282 HydrophobicContact CD1-CB 3.97Å; L110-P282 HydrophobicContact CD1-CG 4.49Å; Y124-P282 WeakPolarHBondContact OH-CA 3.48Å; M194-P282 HydrophobicContact CE-CB 4.22Å; F206-P282 HydrophobicContact CD1-CG 4.06Å; F206-P282 HydrophobicContact CE1-CB 4.25Å; F206-P282 HydrophobicContact CE1-CG 4.16Å; F206-P282 HydrophobicContact CE2-CB 4.43Å; F206-P282 HydrophobicContact CG-CG 4.23Å; F206-P282 HydrophobicContact CZ-CB 4.11Å; F206-P282 HydrophobicContact CZ-CG 4.39Å; F218-P282 HydrophobicContact CD1-CG 4.21Å; F218-P282 HydrophobicContact CE1-CG 4.22Å; F218-P282 HydrophobicContact CG-CG 4.48Å; F218-P282 HydrophobicContact CZ-CG 4.5Å; F220-P282 HydrophobicContact CE1-CG 4.48Å; P282-F284 PolarHBondContact O-N 2.04Å; P282-Y285 PolarHBondContact O-N 2.94Å |
| 283 | L | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61 | -24.9 | 175.4 | -162.1 | 62.4 | 0 | 0 | 0 | 112.6 | W172 W189 M194 V268 D281 M286 L287 | W172-L283 HydrophobicContact CB-CD1 3.91Å; W172-L283 HydrophobicContact CD2-CD1 3.61Å; W172-L283 HydrophobicContact CD2-CD2 4.33Å; W172-L283 HydrophobicContact CD2-CG 4.06Å; W172-L283 HydrophobicContact CE3-CD1 3.7Å; W172-L283 HydrophobicContact CE3-CD2 3.99Å; W172-L283 HydrophobicContact CE3-CG 3.64Å; W172-L283 HydrophobicContact CG-CD1 3.71Å; W172-L283 HydrophobicContact CH2-CD2 3.97Å; W172-L283 HydrophobicContact CZ2-CD2 4.29Å; W172-L283 HydrophobicContact CZ3-CD1 4.39Å; W172-L283 HydrophobicContact CZ3-CD2 3.82Å; W172-L283 HydrophobicContact CZ3-CG 3.91Å; W189-L283 HydrophobicContact CH2-CD2 3.68Å; W189-L283 HydrophobicContact CZ3-CD2 4.23Å; M194-L283 HydrophobicContact CE-CB 3.97Å; M194-L283 HydrophobicContact CE-CD1 4.34Å; M194-L283 HydrophobicContact CG-CD1 4.23Å; M194-L283 HydrophobicContact SD-CD1 4.43Å; V268-L283 HydrophobicContact CG1-CD2 4.14Å; V268-L283 HydrophobicContact CG2-CD2 3.91Å; D281-L283 PolarHBondContact O-N 2.95Å; D281-L283 VanDerWaalsContact OD1-CB 3.23Å; D281-L283 WeakPolarHBondContact OD1-CB 3.33Å; D281-L283 PolarHBondContact OD1-N 3.09Å; L283-M286 HydrophobicContact CD1-CB 4.5Å; L283-M286 HydrophobicContact CD1-SD 4.05Å; L283-M286 PolarHBondContact O-N 2.61Å; L283-L287 WeakPolarHBondContact O-CB 3.44Å; L283-L287 PolarHBondContact O-N 2.98Å |
| 284 | F | 98.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.009 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.2 | -51 | 175.3 | 176.7 | -113.8 | 0 | 0 | 0 | 112.1 | H131 Y152 M272 A278 D281 P282 M286 L287 L288 | H131-F284 AromaticContact CE1-CZ 3.77Å; H131-F284 AromaticContact ND1-CZ 3.57Å; Y152-F284 HydrophobicContact CE1-CE1 4.15Å; M272-F284 HydrophobicContact CE-CB 4.45Å; M272-F284 HydrophobicContact SD-CB 3.62Å; M272-F284 HydrophobicContact SD-CD2 4.21Å; M272-F284 HydrophobicContact SD-CG 4.4Å; A278-F284 HydrophobicContact CB-CD2 3.61Å; A278-F284 HydrophobicContact CB-CE2 3.86Å; A278-F284 HydrophobicContact CB-CG 4.2Å; A278-F284 VanDerWaalsContact O-CB 3.29Å; A278-F284 WeakPolarHBondContact O-CB 3.4Å; D281-F284 WeakPolarHBondContact O-CB 3.37Å; D281-F284 PolarHBondContact O-N 3.47Å; P282-F284 PolarHBondContact O-N 2.04Å; F284-M286 VanDerWaalsContact C-N 3.29Å; F284-M286 PolarHBondContact O-N 3.1Å; F284-L287 PolarHBondContact O-N 3.11Å; F284-L288 HydrophobicContact CD1-CD1 3.98Å; F284-L288 HydrophobicContact CD2-CD1 4.42Å; F284-L288 HydrophobicContact CD2-CG 4.46Å; F284-L288 HydrophobicContact CE1-CD1 3.44Å; F284-L288 VanDerWaalsContact CE1-CD1 3.44Å; F284-L288 HydrophobicContact CE1-CG 4.43Å; F284-L288 HydrophobicContact CE2-CD1 3.91Å; F284-L288 HydrophobicContact CE2-CD2 4.47Å; F284-L288 HydrophobicContact CE2-CG 4.16Å; F284-L288 HydrophobicContact CG-CD1 4.46Å; F284-L288 HydrophobicContact CZ-CD1 3.4Å; F284-L288 VanDerWaalsContact CZ-CD1 3.4Å; F284-L288 HydrophobicContact CZ-CG 4.15Å; F284-L288 WeakPolarHBondContact O-CG 3.11Å; F284-L288 PolarHBondContact O-N 2.84Å |
| 285 | Y | 98.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.7 | -34.2 | -178.9 | -64.4 | -88.2 | 0 | 0 | 0 | 111.6 | Y124 F127 G128 Y152 L153 F156 G279 P282 L288 A289 | Y124-Y285 HydrophobicContact CE1-CE2 4.33Å; Y124-Y285 HydrophobicContact CE2-CD2 4.28Å; Y124-Y285 AromaticContact CE2-CE2 3.87Å; Y124-Y285 HydrophobicContact CE2-CE2 3.87Å; Y124-Y285 AromaticContact CZ-CE2 3.57Å; Y124-Y285 VanDerWaalsContact OH-CE2 3.26Å; Y124-Y285 WeakPolarHBondContact OH-CE2 3.27Å; F127-Y285 HydrophobicContact CB-CE1 4.32Å; F127-Y285 WeakPolarHBondContact CB-OH 3.38Å; G128-Y285 PolarHBondContact N-OH 3.28Å; Y152-Y285 HydrophobicContact CE1-CD1 4.16Å; Y152-Y285 AromaticContact CE1-CE1 3.71Å; Y152-Y285 HydrophobicContact CE1-CE1 3.71Å; Y152-Y285 AromaticContact CZ-CE1 3.54Å; Y152-Y285 WeakPolarHBondContact OH-CE1 3.4Å; Y152-Y285 VanDerWaalsContact OH-CZ 3.29Å; Y152-Y285 PolarHBondContact OH-OH 3.39Å; L153-Y285 HydrophobicContact CD2-CD1 4.31Å; F156-Y285 HydrophobicContact CB-CD1 4.42Å; F156-Y285 HydrophobicContact CB-CE1 4.45Å; F156-Y285 AromaticContact CD1-CD1 3.72Å; F156-Y285 HydrophobicContact CD1-CD1 3.72Å; F156-Y285 HydrophobicContact CD1-CE1 4.24Å; F156-Y285 HydrophobicContact CD1-CG 4.18Å; F156-Y285 AromaticContact CD2-CD1 3.66Å; F156-Y285 HydrophobicContact CD2-CD1 3.66Å; F156-Y285 AromaticContact CD2-CE1 3.29Å; F156-Y285 HydrophobicContact CD2-CE1 3.29Å; F156-Y285 HydrophobicContact CD2-CG 4.45Å; F156-Y285 AromaticContact CD2-CZ 3.85Å; F156-Y285 AromaticContact CE1-CD1 3.77Å; F156-Y285 HydrophobicContact CE1-CD1 3.77Å; F156-Y285 HydrophobicContact CE1-CD2 4.34Å; F156-Y285 HydrophobicContact CE1-CE1 4.31Å; F156-Y285 AromaticContact CE1-CG 3.77Å; F156-Y285 HydrophobicContact CE1-CG 3.77Å; F156-Y285 AromaticContact CE2-CD1 3.7Å; F156-Y285 HydrophobicContact CE2-CD1 3.7Å; F156-Y285 HydrophobicContact CE2-CD2 4.16Å; F156-Y285 AromaticContact CE2-CE1 3.37Å; F156-Y285 HydrophobicContact CE2-CE1 3.37Å; F156-Y285 AromaticContact CE2-CE2 3.89Å; F156-Y285 HydrophobicContact CE2-CE2 3.89Å; F156-Y285 HydrophobicContact CE2-CG 4.08Å; F156-Y285 AromaticContact CE2-CZ 3.49Å; F156-Y285 VanDerWaalsContact CE2-CZ 3.49Å; F156-Y285 AromaticContact CG-CD1 3.66Å; F156-Y285 HydrophobicContact CG-CD1 3.66Å; F156-Y285 AromaticContact CG-CE1 3.75Å; F156-Y285 HydrophobicContact CG-CE1 3.75Å; F156-Y285 HydrophobicContact CG-CG 4.49Å; F156-Y285 AromaticContact CZ-CD1 3.74Å; F156-Y285 HydrophobicContact CZ-CD1 3.74Å; F156-Y285 AromaticContact CZ-CD2 3.84Å; F156-Y285 HydrophobicContact CZ-CD2 3.84Å; F156-Y285 AromaticContact CZ-CE1 3.9Å; F156-Y285 HydrophobicContact CZ-CE1 3.9Å; F156-Y285 HydrophobicContact CZ-CE2 4.02Å; F156-Y285 AromaticContact CZ-CG 3.71Å; F156-Y285 HydrophobicContact CZ-CG 3.71Å; G279-Y285 WeakPolarHBondContact O-CE2 3.42Å; P282-Y285 PolarHBondContact O-N 2.94Å; Y285-L288 PolarHBondContact O-N 2.98Å; Y285-A289 WeakPolarHBondContact O-CB 3.29Å; Y285-A289 PolarHBondContact O-N 3.05Å |
| 286 | M | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -69.7 | -38.7 | 175.2 | -58.6 | 178.4 | -174 | 0 | 0 | 112.5 | Y95 F106 P170 Y171 W172 M194 F206 L283 F284 A289 Y290 | Y95-M286 HydrophobicContact CD1-SD 4.18Å; Y95-M286 HydrophobicContact CD2-CE 3.79Å; Y95-M286 HydrophobicContact CD2-SD 4.09Å; Y95-M286 HydrophobicContact CE2-CE 3.78Å; Y95-M286 HydrophobicContact CG-CE 4.18Å; Y95-M286 HydrophobicContact CG-SD 3.89Å; F106-M286 HydrophobicContact CD1-CE 4.43Å; F106-M286 HydrophobicContact CE1-CE 3.24Å; F106-M286 HydrophobicContact CZ-CE 3.49Å; F106-M286 VanDerWaalsContact CZ-CE 3.49Å; P170-M286 HydrophobicContact CG-CE 4.13Å; P170-M286 HydrophobicContact CG-CG 4.32Å; Y171-M286 WeakPolarHBondContact CA-O 3.15Å; W172-M286 HydrophobicContact CB-CB 3.67Å; W172-M286 PolarHBondContact N-O 2.85Å; M194-M286 HydrophobicContact CE-CE 4.49Å; M194-M286 HydrophobicContact SD-CE 3.87Å; M194-M286 HydrophobicContact SD-SD 4.08Å; F206-M286 HydrophobicContact CZ-CE 4.45Å; L283-M286 HydrophobicContact CD1-CB 4.5Å; L283-M286 HydrophobicContact CD1-SD 4.05Å; L283-M286 PolarHBondContact O-N 2.61Å; F284-M286 VanDerWaalsContact C-N 3.29Å; F284-M286 PolarHBondContact O-N 3.1Å; M286-A289 PolarHBondContact O-N 3.4Å; M286-Y290 PolarHBondContact O-N 3.19Å |
| 287 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 174.1 | -178.9 | 59 | 0 | 0 | 0 | 110.9 | W172 P174 F232 L261 T264 R265 M272 L283 F284 A289 Y290 V291 | W172-L287 HydrophobicContact CE3-CB 3.92Å; W172-L287 HydrophobicContact CE3-CD1 3.93Å; W172-L287 HydrophobicContact CE3-CG 4.39Å; W172-L287 HydrophobicContact CZ3-CB 4.25Å; W172-L287 HydrophobicContact CZ3-CD1 3.95Å; W172-L287 HydrophobicContact CZ3-CD2 4.25Å; W172-L287 HydrophobicContact CZ3-CG 4.37Å; P174-L287 HydrophobicContact CG-CD1 4.38Å; F232-L287 HydrophobicContact CE2-CD1 4.34Å; L261-L287 HydrophobicContact CD1-CD2 3.76Å; L261-L287 HydrophobicContact CD1-CG 3.85Å; T264-L287 HydrophobicContact CG2-CD1 3.84Å; T264-L287 HydrophobicContact CG2-CD2 4.04Å; R265-L287 HydrophobicContact CG-CD2 3.56Å; M272-L287 HydrophobicContact CE-CD2 4.04Å; L283-L287 WeakPolarHBondContact O-CB 3.44Å; L283-L287 PolarHBondContact O-N 2.98Å; F284-L287 PolarHBondContact O-N 3.11Å; L287-A289 VanDerWaalsContact C-N 3.34Å; L287-Y290 WeakPolarHBondContact O-CB 3.07Å; L287-Y290 PolarHBondContact O-N 3.2Å; L287-V291 PolarHBondContact O-N 3.44Å; L287-V291 VanDerWaalsContact O-N 3.08Å |
| 288 | L | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.01 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 175 | -71.7 | -179.4 | 0 | 0 | 0 | 111.8 | H149 Y152 L153 L261 F284 Y285 Y290 V291 D292 | H149-L288 VanDerWaalsContact CD2-CD2 3.47Å; H149-L288 WeakPolarHBondContact CD2-CD2 3.46Å; Y152-L288 HydrophobicContact CD1-CD1 4.19Å; Y152-L288 HydrophobicContact CE1-CD1 3.95Å; L153-L288 HydrophobicContact CD1-CB 3.98Å; L153-L288 HydrophobicContact CD2-CB 3.81Å; L153-L288 HydrophobicContact CD2-CD1 4.39Å; L153-L288 HydrophobicContact CG-CB 4.3Å; L261-L288 HydrophobicContact CD2-CD2 4.41Å; F284-L288 HydrophobicContact CD1-CD1 3.98Å; F284-L288 HydrophobicContact CD2-CD1 4.42Å; F284-L288 HydrophobicContact CD2-CG 4.46Å; F284-L288 HydrophobicContact CE1-CD1 3.44Å; F284-L288 VanDerWaalsContact CE1-CD1 3.44Å; F284-L288 HydrophobicContact CE1-CG 4.43Å; F284-L288 HydrophobicContact CE2-CD1 3.91Å; F284-L288 HydrophobicContact CE2-CD2 4.47Å; F284-L288 HydrophobicContact CE2-CG 4.16Å; F284-L288 HydrophobicContact CG-CD1 4.46Å; F284-L288 HydrophobicContact CZ-CD1 3.4Å; F284-L288 VanDerWaalsContact CZ-CD1 3.4Å; F284-L288 HydrophobicContact CZ-CG 4.15Å; F284-L288 WeakPolarHBondContact O-CG 3.11Å; F284-L288 PolarHBondContact O-N 2.84Å; Y285-L288 PolarHBondContact O-N 2.98Å; L288-Y290 VanDerWaalsContact C-N 3.26Å; L288-Y290 PolarHBondContact O-N 2.9Å; L288-V291 HydrophobicContact CD2-CG2 4.43Å; L288-V291 VanDerWaalsContact O-CG2 3.22Å; L288-V291 WeakPolarHBondContact O-CG2 3.37Å; L288-V291 PolarHBondContact O-N 3.12Å; L288-D292 PolarHBondContact O-N 3.33Å |
| 289 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.5 | -33.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L153 L169 Y285 M286 L287 Y293 Y347 | L153-A289 HydrophobicContact CD1-CB 4.44Å; L169-A289 HydrophobicContact CD2-CB 3.97Å; L169-A289 HydrophobicContact CG-CB 4.1Å; Y285-A289 WeakPolarHBondContact O-CB 3.29Å; Y285-A289 PolarHBondContact O-N 3.05Å; M286-A289 PolarHBondContact O-N 3.4Å; L287-A289 VanDerWaalsContact C-N 3.34Å; A289-Y293 WeakPolarHBondContact O-CB 3.24Å; A289-Y293 PolarHBondContact O-N 2.81Å; A289-Y347 WeakPolarHBondContact O-CE1 3.36Å; A289-Y347 PolarHBondContact O-OH 2.75Å |
| 290 | Y | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.9 | -44 | 174.1 | 174.7 | -101.6 | 0 | 0 | 0 | 112.3 | Y171 W172 D173 P174 F232 L237 M286 L287 L288 D292 Y293 R294 | Y171-Y290 AromaticContact CD2-CD2 4Å; Y171-Y290 HydrophobicContact CD2-CD2 4Å; W172-Y290 WeakPolarHBondContact O-CB 3.47Å; D173-Y290 HydrophobicContact CB-CD2 4.02Å; D173-Y290 HydrophobicContact CB-CE2 3.89Å; D173-Y290 VanDerWaalsContact CG-CE2 3.46Å; P174-Y290 VanDerWaalsContact CD-CD1 3.43Å; P174-Y290 VanDerWaalsContact CD-CE1 3.46Å; P174-Y290 HydrophobicContact CG-CD1 3.93Å; P174-Y290 HydrophobicContact CG-CE1 3.73Å; F232-Y290 HydrophobicContact CB-CE1 4.4Å; F232-Y290 HydrophobicContact CD1-CE1 4.24Å; F232-Y290 HydrophobicContact CD2-CE1 4.45Å; F232-Y290 HydrophobicContact CG-CE1 4.11Å; L237-Y290 WeakPolarHBondContact CD1-OH 3.47Å; M286-Y290 PolarHBondContact O-N 3.19Å; L287-Y290 WeakPolarHBondContact O-CB 3.07Å; L287-Y290 PolarHBondContact O-N 3.2Å; L288-Y290 VanDerWaalsContact C-N 3.26Å; L288-Y290 PolarHBondContact O-N 2.9Å; Y290-D292 VanDerWaalsContact C-N 3.31Å; Y290-D292 PolarHBondContact O-N 3.02Å; Y290-Y293 HydrophobicContact CD2-CD1 4.18Å; Y290-Y293 HydrophobicContact CE2-CD1 4.31Å; Y290-Y293 VanDerWaalsContact O-CB 3.29Å; Y290-Y293 WeakPolarHBondContact O-CB 3.21Å; Y290-Y293 PolarHBondContact O-N 3.34Å; Y290-R294 HydrophobicContact CD1-CG 4.44Å; Y290-R294 HydrophobicContact CE1-CG 3.93Å; Y290-R294 HydrophobicContact CE2-CG 4.21Å; Y290-R294 WeakPolarHBondContact O-CG 3.1Å; Y290-R294 PolarHBondContact O-N 3.06Å |
| 291 | V | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -70.2 | -31.2 | 177.5 | -56.3 | 0 | 0 | 0 | 0 | 112.2 | L146 F232 F257 L261 L287 L288 Y293 R294 F295 | L146-V291 HydrophobicContact CD2-CB 4.42Å; L146-V291 HydrophobicContact CD2-CG2 4.09Å; F232-V291 HydrophobicContact CE1-CG1 4.02Å; F232-V291 HydrophobicContact CE2-CG1 4.12Å; F232-V291 HydrophobicContact CZ-CG1 3.44Å; F232-V291 VanDerWaalsContact CZ-CG1 3.44Å; F257-V291 HydrophobicContact CE2-CB 3.98Å; F257-V291 HydrophobicContact CE2-CG1 4.16Å; F257-V291 HydrophobicContact CZ-CB 3.77Å; F257-V291 HydrophobicContact CZ-CG1 4.16Å; F257-V291 HydrophobicContact CZ-CG2 4.19Å; L261-V291 HydrophobicContact CD1-CG1 4.13Å; L287-V291 PolarHBondContact O-N 3.44Å; L287-V291 VanDerWaalsContact O-N 3.08Å; L288-V291 HydrophobicContact CD2-CG2 4.43Å; L288-V291 VanDerWaalsContact O-CG2 3.22Å; L288-V291 WeakPolarHBondContact O-CG2 3.37Å; L288-V291 PolarHBondContact O-N 3.12Å; V291-Y293 VanDerWaalsContact C-N 3.34Å; V291-R294 PolarHBondContact O-N 3.5Å; V291-F295 WeakPolarHBondContact O-CB 3.37Å; V291-F295 PolarHBondContact O-N 2.86Å |
| 292 | D | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.011 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.7 | -33.8 | 170.3 | -176.6 | 58.2 | 0 | 0 | 0 | 112.4 | R92 R150 L153 L288 Y290 F295 E296 Y345 Y347 | R92-D292 IonicContact NH1-OD2 3.9Å; R150-D292 IonicContact CZ-OD1 3.52Å; R150-D292 IonicContact NE-OD1 3.7Å; R150-D292 PolarHBondContact NE-OD1 3Å; R150-D292 IonicContact NE-OD2 3.76Å; R150-D292 PolarHBondContact NH2-O 2.8Å; R150-D292 IonicContact NH2-OD1 2.78Å; R150-D292 PolarHBondContact NH2-OD1 3.06Å; R150-D292 IonicContact NH2-OD2 3.4Å; L153-D292 HydrophobicContact CD1-CB 4.02Å; L288-D292 PolarHBondContact O-N 3.33Å; Y290-D292 VanDerWaalsContact C-N 3.31Å; Y290-D292 PolarHBondContact O-N 3.02Å; D292-F295 WeakPolarHBondContact O-CB 3.24Å; D292-F295 PolarHBondContact O-N 3.38Å; D292-E296 WeakPolarHBondContact O-CB 3.05Å; D292-E296 PolarHBondContact O-N 3.02Å; D292-Y345 WeakPolarHBondContact OD2-CE2 3.43Å; D292-Y345 PolarHBondContact OD2-OH 3.1Å; D292-Y347 WeakPolarHBondContact CB-OH 3.48Å; D292-Y347 VanDerWaalsContact CG-OH 3.32Å; D292-Y347 PolarHBondContact OD2-OH 3.48Å |
| 293 | Y | 98.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 22 Ų | 22 | 5% | 0.051 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.6 | -51.6 | 169.2 | 167.6 | -136.2 | 0 | 0 | 0 | 111.2 | Y171 A289 Y290 V291 F295 E296 D297 Y347 | Y171-Y293 HydrophobicContact CE1-CD1 4.5Å; Y171-Y293 HydrophobicContact CE2-CD1 4.37Å; A289-Y293 WeakPolarHBondContact O-CB 3.24Å; A289-Y293 PolarHBondContact O-N 2.81Å; Y290-Y293 HydrophobicContact CD2-CD1 4.18Å; Y290-Y293 HydrophobicContact CE2-CD1 4.31Å; Y290-Y293 VanDerWaalsContact O-CB 3.29Å; Y290-Y293 WeakPolarHBondContact O-CB 3.21Å; Y290-Y293 PolarHBondContact O-N 3.34Å; V291-Y293 VanDerWaalsContact C-N 3.34Å; Y293-F295 VanDerWaalsContact C-N 3.27Å; Y293-F295 PolarHBondContact O-N 2.94Å; Y293-E296 PolarHBondContact O-N 3.49Å; Y293-E296 VanDerWaalsContact O-N 3.1Å; Y293-D297 VanDerWaalsContact CE2-OD1 3.24Å; Y293-D297 WeakPolarHBondContact CE2-OD1 3.41Å; Y293-D297 WeakPolarHBondContact CE2-OD2 3.47Å; Y293-D297 PolarHBondContact O-N 2.86Å; Y293-D297 PolarHBondContact OH-OD2 3.17Å; Y293-Y347 VanDerWaalsContact CD2-CB 3.48Å; Y293-Y347 HydrophobicContact CD2-CD1 4.04Å; Y293-Y347 AromaticContact CD2-CD2 3.98Å; Y293-Y347 HydrophobicContact CD2-CD2 3.98Å; Y293-Y347 AromaticContact CD2-CG 3.57Å; Y293-Y347 HydrophobicContact CD2-CG 3.57Å; Y293-Y347 AromaticContact CG-CD1 3.97Å; Y293-Y347 HydrophobicContact CG-CD1 3.97Å; Y293-Y347 HydrophobicContact CG-CD2 4.48Å; Y293-Y347 HydrophobicContact CG-CE1 4.49Å; Y293-Y347 AromaticContact CG-CG 3.98Å; Y293-Y347 HydrophobicContact CG-CG 3.98Å |
| 294 | R | 97.9 | Very high | 97.1 | Very high | 46 Ų | 46 | 30.1 Ų | 30.1 | 17% | 0.174 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.5 | -35.3 | 177.5 | -59.4 | -47.8 | -58.4 | 166.9 | 1 | 112.4 | L237 Y290 V291 D297 W298 | L237-R294 HydrophobicContact CD2-CG 4.03Å; Y290-R294 HydrophobicContact CD1-CG 4.44Å; Y290-R294 HydrophobicContact CE1-CG 3.93Å; Y290-R294 HydrophobicContact CE2-CG 4.21Å; Y290-R294 WeakPolarHBondContact O-CG 3.1Å; Y290-R294 PolarHBondContact O-N 3.06Å; V291-R294 PolarHBondContact O-N 3.5Å; R294-D297 IonicContact CZ-OD2 2.71Å; R294-D297 IonicContact NH1-OD2 3.98Å; R294-D297 PolarHBondContact NH1-OD2 3.38Å; R294-D297 IonicContact NH2-OD2 3.6Å; R294-D297 PolarHBondContact O-N 3.15Å; R294-W298 PolarHBondContact O-N 2.87Å |
| 295 | F | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -41.7 | 172.8 | 175.5 | -136.7 | 0 | 0 | 0 | 112.4 | L146 P147 R150 L246 V291 D292 Y293 W298 R299 L336 | L146-F295 HydrophobicContact CB-CD1 3.8Å; L146-F295 HydrophobicContact CB-CD2 4.25Å; L146-F295 HydrophobicContact CB-CE1 3.94Å; L146-F295 HydrophobicContact CB-CE2 4.38Å; L146-F295 HydrophobicContact CB-CG 3.95Å; L146-F295 HydrophobicContact CB-CZ 4.21Å; L146-F295 HydrophobicContact CD1-CB 3.82Å; L146-F295 HydrophobicContact CD1-CD1 4.44Å; L146-F295 HydrophobicContact CD1-CD2 3.71Å; L146-F295 HydrophobicContact CD1-CE2 4.37Å; L146-F295 HydrophobicContact CD1-CG 3.74Å; L146-F295 HydrophobicContact CD2-CB 3.96Å; L146-F295 HydrophobicContact CD2-CD1 4.48Å; L146-F295 HydrophobicContact CD2-CG 4.28Å; L146-F295 HydrophobicContact CG-CB 4.33Å; L146-F295 HydrophobicContact CG-CD1 4.48Å; L146-F295 HydrophobicContact CG-CG 4.22Å; P147-F295 HydrophobicContact CG-CZ 4.5Å; R150-F295 VanDerWaalsContact NH2-CD1 3.34Å; L246-F295 HydrophobicContact CD1-CE2 3.75Å; L246-F295 HydrophobicContact CD1-CZ 4.09Å; V291-F295 WeakPolarHBondContact O-CB 3.37Å; V291-F295 PolarHBondContact O-N 2.86Å; D292-F295 WeakPolarHBondContact O-CB 3.24Å; D292-F295 PolarHBondContact O-N 3.38Å; Y293-F295 VanDerWaalsContact C-N 3.27Å; Y293-F295 PolarHBondContact O-N 2.94Å; F295-W298 AromaticContact CD2-CE3 3.93Å; F295-W298 HydrophobicContact CD2-CE3 3.93Å; F295-W298 HydrophobicContact CD2-CZ3 4.47Å; F295-W298 AromaticContact CE2-CE3 3.8Å; F295-W298 HydrophobicContact CE2-CE3 3.8Å; F295-W298 AromaticContact CE2-CZ3 3.89Å; F295-W298 HydrophobicContact CE2-CZ3 3.89Å; F295-W298 PolarHBondContact O-N 3.37Å; F295-R299 WeakPolarHBondContact O-CB 3.38Å; F295-R299 PolarHBondContact O-N 2.84Å; F295-L336 HydrophobicContact CE2-CD2 4.11Å; F295-L336 HydrophobicContact CZ-CD2 3.59Å |
| 296 | E | 97.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -41.1 | 175.9 | -176.2 | 57 | -165.9 | 0 | 0 | 112.2 | R150 D292 Y293 W298 R299 Q300 T341 Y347 | R150-E296 IonicContact CZ-OE2 2.73Å; R150-E296 IonicContact NH1-OE2 3.96Å; R150-E296 PolarHBondContact NH1-OE2 3.2Å; R150-E296 IonicContact NH2-OE2 3.48Å; R150-E296 PolarHBondContact NH2-OE2 3.43Å; D292-E296 WeakPolarHBondContact O-CB 3.05Å; D292-E296 PolarHBondContact O-N 3.02Å; Y293-E296 PolarHBondContact O-N 3.49Å; Y293-E296 VanDerWaalsContact O-N 3.1Å; E296-W298 VanDerWaalsContact C-N 3.32Å; E296-W298 PolarHBondContact O-N 2.8Å; E296-R299 PolarHBondContact O-N 2.79Å; E296-R299 IonicContact OE1-CZ 2.74Å; E296-R299 IonicContact OE1-NE 3.79Å; E296-R299 PolarHBondContact OE1-NE 3.12Å; E296-R299 IonicContact OE1-NH2 2.77Å; E296-R299 PolarHBondContact OE1-NH2 3.4Å; E296-R299 IonicContact OE2-CZ 3.08Å; E296-R299 IonicContact OE2-NE 2.93Å; E296-R299 PolarHBondContact OE2-NE 3.17Å; E296-R299 IonicContact OE2-NH2 3.56Å; E296-Q300 HydrophobicContact CG-CG 4.47Å; E296-Q300 WeakPolarHBondContact O-CB 3.01Å; E296-Q300 VanDerWaalsContact O-CG 3.29Å; E296-Q300 WeakPolarHBondContact O-CG 3.39Å; E296-Q300 PolarHBondContact O-N 2.78Å; E296-Q300 PolarHBondContact OE1-NE2 3.1Å; E296-T341 HydrophobicContact CB-CG2 4.46Å; E296-T341 VanDerWaalsContact CD-OG1 3.3Å; E296-T341 HydrophobicContact CG-CG2 3.72Å; E296-T341 PolarHBondContact OE1-OG1 3.1Å; E296-T341 WeakPolarHBondContact OE2-CG2 3.5Å; E296-Y347 HydrophobicContact CB-CD2 4.23Å; E296-Y347 HydrophobicContact CB-CE2 4.29Å; E296-Y347 HydrophobicContact CG-CD2 4.47Å |
| 297 | D | 96.9 | Very high | 96.6 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 20% | 0.198 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.9 | -50.1 | 172.3 | -80.3 | -7.3 | 0 | 0 | 0 | 110.1 | Y293 R294 R299 Q300 M301 | Y293-D297 VanDerWaalsContact CE2-OD1 3.24Å; Y293-D297 WeakPolarHBondContact CE2-OD1 3.41Å; Y293-D297 WeakPolarHBondContact CE2-OD2 3.47Å; Y293-D297 PolarHBondContact O-N 2.86Å; Y293-D297 PolarHBondContact OH-OD2 3.17Å; R294-D297 IonicContact CZ-OD2 2.71Å; R294-D297 IonicContact NH1-OD2 3.98Å; R294-D297 PolarHBondContact NH1-OD2 3.38Å; R294-D297 IonicContact NH2-OD2 3.6Å; R294-D297 PolarHBondContact O-N 3.15Å; D297-R299 PolarHBondContact O-N 2.97Å; D297-Q300 PolarHBondContact O-N 3.06Å; D297-M301 WeakPolarHBondContact O-CG 3.31Å; D297-M301 PolarHBondContact O-N 2.98Å; D297-M301 VanDerWaalsContact O-N 3.1Å |
| 298 | W | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.7 | -47 | 176.3 | 175.2 | 84.5 | 0 | 0 | 0 | 112.7 | Y243 L246 F249 R294 F295 E296 Q300 M301 H302 A305 | Y243-W298 PolarHBondContact O-NE1 2.77Å; L246-W298 HydrophobicContact CB-CH2 4.04Å; L246-W298 HydrophobicContact CB-CZ3 4.38Å; F249-W298 AromaticContact CE2-CD2 3.7Å; F249-W298 HydrophobicContact CE2-CD2 3.7Å; F249-W298 AromaticContact CE2-CE2 3.95Å; F249-W298 HydrophobicContact CE2-CE3 4.02Å; F249-W298 AromaticContact CE2-CG 3.95Å; F249-W298 HydrophobicContact CE2-CG 3.95Å; F249-W298 HydrophobicContact CE2-CZ2 4.46Å; F249-W298 HydrophobicContact CZ-CB 4.09Å; F249-W298 HydrophobicContact CZ-CD2 4.08Å; F249-W298 AromaticContact CZ-CG 3.85Å; F249-W298 HydrophobicContact CZ-CG 3.85Å; R294-W298 PolarHBondContact O-N 2.87Å; F295-W298 AromaticContact CD2-CE3 3.93Å; F295-W298 HydrophobicContact CD2-CE3 3.93Å; F295-W298 HydrophobicContact CD2-CZ3 4.47Å; F295-W298 AromaticContact CE2-CE3 3.8Å; F295-W298 HydrophobicContact CE2-CE3 3.8Å; F295-W298 AromaticContact CE2-CZ3 3.89Å; F295-W298 HydrophobicContact CE2-CZ3 3.89Å; F295-W298 PolarHBondContact O-N 3.37Å; E296-W298 VanDerWaalsContact C-N 3.32Å; E296-W298 PolarHBondContact O-N 2.8Å; W298-Q300 PolarHBondContact O-N 3.11Å; W298-M301 PolarHBondContact O-N 3.35Å; W298-M301 VanDerWaalsContact O-N 3.14Å; W298-H302 AromaticContact CD1-CE1 3.57Å; W298-H302 AromaticContact CD1-ND1 3.4Å; W298-H302 AromaticContact CE2-CG 3.96Å; W298-H302 AromaticContact CE2-ND1 3.66Å; W298-H302 AromaticContact CG-ND1 3.9Å; W298-H302 HydrophobicContact CZ2-CB 4.32Å; W298-H302 AromaticContact NE1-CE1 3.36Å; W298-H302 PolarHBondContact NE1-CE1 3.18Å; W298-H302 AromaticContact NE1-CG 3.87Å; W298-H302 AromaticContact NE1-ND1 3.22Å; W298-H302 PolarHBondContact NE1-ND1 3.1Å; W298-H302 PolarHBondContact O-N 3.01Å; W298-H302 PolarHBondContact O-ND1 2.85Å; W298-A305 HydrophobicContact CH2-CB 3.56Å; W298-A305 HydrophobicContact CZ2-CB 4.18Å; W298-A305 HydrophobicContact CZ3-CB 4.14Å |
| 299 | R | 95.6 | Very high | 96.4 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 11% | 0.106 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -30.9 | 179.9 | -167.6 | -143.8 | 58.3 | 66.3 | -3.4 | 112.1 | F295 E296 D297 H302 | F295-R299 WeakPolarHBondContact O-CB 3.38Å; F295-R299 PolarHBondContact O-N 2.84Å; E296-R299 PolarHBondContact O-N 2.79Å; E296-R299 IonicContact OE1-CZ 2.74Å; E296-R299 IonicContact OE1-NE 3.79Å; E296-R299 PolarHBondContact OE1-NE 3.12Å; E296-R299 IonicContact OE1-NH2 2.77Å; E296-R299 PolarHBondContact OE1-NH2 3.4Å; E296-R299 IonicContact OE2-CZ 3.08Å; E296-R299 IonicContact OE2-NE 2.93Å; E296-R299 PolarHBondContact OE2-NE 3.17Å; E296-R299 IonicContact OE2-NH2 3.56Å; D297-R299 PolarHBondContact O-N 2.97Å; R299-H302 CarbonylContact O-C 3.42Å |
| 300 | Q | 94.8 | Very high | 96.3 | Very high | 113 Ų | 113 | 50.2 Ų | 50.2 | 53% | 0.528 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -73.4 | -37.7 | 175.3 | -73.4 | 177.3 | 13 | 0 | 0 | 112.2 | E296 D297 W298 H302 | E296-Q300 HydrophobicContact CG-CG 4.47Å; E296-Q300 WeakPolarHBondContact O-CB 3.01Å; E296-Q300 VanDerWaalsContact O-CG 3.29Å; E296-Q300 WeakPolarHBondContact O-CG 3.39Å; E296-Q300 PolarHBondContact O-N 2.78Å; E296-Q300 PolarHBondContact OE1-NE2 3.1Å; D297-Q300 PolarHBondContact O-N 3.06Å; W298-Q300 PolarHBondContact O-N 3.11Å; Q300-H302 VanDerWaalsContact C-N 3.28Å |
| 301 | M | 95.5 | Very high | 96.1 | Very high | 103 Ų | 103 | 55.5 Ų | 55.5 | 51% | 0.507 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71 | -25.2 | 173.9 | -66 | -178.3 | -62.9 | 0 | 0 | 112.6 | A241 D297 W298 P303 | A241-M301 HydrophobicContact CB-CE 3.67Å; D297-M301 WeakPolarHBondContact O-CG 3.31Å; D297-M301 PolarHBondContact O-N 2.98Å; D297-M301 VanDerWaalsContact O-N 3.1Å; W298-M301 PolarHBondContact O-N 3.35Å; W298-M301 VanDerWaalsContact O-N 3.14Å; M301-P303 WeakPolarHBondContact O-CD 3.07Å |
| 302 | H | 95.5 | Very high | 95.8 | Very high | 48 Ų | 48 | 63.6 Ų | 63.6 | 22% | 0.222 | 33% | 0.328 | C | S | . | . | trans | -115.2 | 66.7 | 178.4 | -59.2 | 83.3 | 0 | 0 | 0 | 111.7 | A241 Y243 W298 R299 Q300 H304 A305 | A241-H302 PolarHBondContact O-CE1 3.19Å; A241-H302 VanDerWaalsContact O-CE1 3.31Å; Y243-H302 PolarHBondContact O-CE1 3.41Å; Y243-H302 PolarHBondContact O-NE2 3.21Å; W298-H302 AromaticContact CD1-CE1 3.57Å; W298-H302 AromaticContact CD1-ND1 3.4Å; W298-H302 AromaticContact CE2-CG 3.96Å; W298-H302 AromaticContact CE2-ND1 3.66Å; W298-H302 AromaticContact CG-ND1 3.9Å; W298-H302 HydrophobicContact CZ2-CB 4.32Å; W298-H302 AromaticContact NE1-CE1 3.36Å; W298-H302 PolarHBondContact NE1-CE1 3.18Å; W298-H302 AromaticContact NE1-CG 3.87Å; W298-H302 AromaticContact NE1-ND1 3.22Å; W298-H302 PolarHBondContact NE1-ND1 3.1Å; W298-H302 PolarHBondContact O-N 3.01Å; W298-H302 PolarHBondContact O-ND1 2.85Å; R299-H302 CarbonylContact O-C 3.42Å; Q300-H302 VanDerWaalsContact C-N 3.28Å; H302-H304 PolarHBondContact O-N 3.42Å; H302-A305 HydrophobicContact CB-CB 3.76Å; H302-A305 WeakPolarHBondContact O-CB 3.08Å; H302-A305 PolarHBondContact O-N 2.88Å | ||
| 303 | P | 92 | Very high | 95.4 | Very high | 60 Ų | 60 | 65.1 Ų | 65.1 | 39% | 0.39 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.6 | -172.7 | 26.6 | -36 | 0 | 0 | 0 | 114.1 | M301 R338 | M301-P303 WeakPolarHBondContact O-CD 3.07Å; P303-R338 PolarHBondContact O-NH2 3.04Å |
| 304 | H | 92.6 | Very high | 95.2 | Very high | 169 Ų | 169 | 65 Ų | 65 | 78% | 0.782 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -0.3 | 177.5 | -57.1 | -62.5 | 0 | 0 | 0 | 113.7 | H302 M306 | H302-H304 PolarHBondContact O-N 3.42Å; H304-M306 PolarHBondContact O-N 3.39Å |
| 305 | A | 93.1 | Very high | 95.1 | Very high | 35 Ų | 35 | 62.9 Ų | 62.9 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | trans | -59 | 127.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110 | W298 H302 | W298-A305 HydrophobicContact CH2-CB 3.56Å; W298-A305 HydrophobicContact CZ2-CB 4.18Å; W298-A305 HydrophobicContact CZ3-CB 4.14Å; H302-A305 HydrophobicContact CB-CB 3.76Å; H302-A305 WeakPolarHBondContact O-CB 3.08Å; H302-A305 PolarHBondContact O-N 2.88Å | ||
| 306 | M | 94.9 | Very high | 94.9 | Very high | 156 Ų | 156 | 64.6 Ų | 64.6 | 77% | 0.768 | 34% | 0.343 | S | S | * | . | trans | -104.2 | 166.7 | 174.9 | -64 | -171.5 | -69.3 | 0 | 0 | 109.9 | H304 | H304-M306 PolarHBondContact O-N 3.39Š| ||
| 307 | Y | 97.1 | Very high | 94.8 | Very high | 32 Ų | 32 | 64.6 Ų | 64.6 | 13% | 0.125 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -59 | 133.6 | 165.2 | -158.1 | -88.8 | 0 | 0 | 0 | 108.9 | A144 P147 L246 H318 G320 N332 K333 L336 | A144-Y307 WeakPolarHBondContact CB-OH 3.46Å; A144-Y307 PolarHBondContact N-OH 2.95Å; P147-Y307 HydrophobicContact CG-CE2 4.3Å; L246-Y307 HydrophobicContact CD2-CD2 3.72Å; L246-Y307 HydrophobicContact CD2-CE2 3.81Å; Y307-H318 VanDerWaalsContact CE1-O 3.24Å; Y307-H318 WeakPolarHBondContact CE1-O 3.26Å; Y307-H318 VanDerWaalsContact CZ-O 3.3Å; Y307-H318 PolarHBondContact OH-O 3.45Å; Y307-G320 VanDerWaalsContact CE1-N 3.35Å; Y307-N332 HydrophobicContact CE2-CB 4.03Å; Y307-N332 WeakPolarHBondContact OH-CB 3.28Å; Y307-K333 HydrophobicContact CD1-CB 4.43Å; Y307-K333 VanDerWaalsContact CD2-CA 3.43Å; Y307-K333 HydrophobicContact CD2-CB 3.85Å; Y307-K333 HydrophobicContact CG-CB 3.73Å; Y307-L336 VanDerWaalsContact CA-CD1 3.48Å; Y307-L336 HydrophobicContact CD2-CD1 3.77Å; Y307-L336 HydrophobicContact CD2-CG 4.42Å; Y307-L336 HydrophobicContact CG-CD1 4.26Å; Y307-L336 VanDerWaalsContact N-CD1 3.27Å |
| 308 | P | 96.6 | Very high | 94.8 | Very high | 27 Ų | 27 | 62.9 Ų | 62.9 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 154.4 | -175.1 | 25.7 | -34.3 | 0 | 0 | 0 | 111 | P143 A247 | P143-P308 HydrophobicContact CB-CG 3.6Å; P143-P308 HydrophobicContact CG-CG 3.95Å; A247-P308 HydrophobicContact CB-CB 4.01Å; A247-P308 HydrophobicContact CB-CG 4.16Å |
| 309 | A | 96.5 | Very high | 94.7 | Very high | 93 Ų | 93 | 65.1 Ų | 65.1 | 77% | 0.769 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 145.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | H311 | A309-H311 PolarHBondContact O-N 3.28Š|
| 310 | D | 96.6 | Very high | 94.8 | Very high | 84 Ų | 84 | 64 Ų | 64 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 129.6 | 177.1 | -59.8 | -22.6 | 0 | 0 | 0 | 109.3 | F319 G320 | D310-F319 HydrophobicContact CB-CB 4.28Å; D310-F319 HydrophobicContact CB-CD1 3.62Å; D310-F319 HydrophobicContact CB-CD2 3.89Å; D310-F319 HydrophobicContact CB-CE1 3.85Å; D310-F319 HydrophobicContact CB-CE2 4.08Å; D310-F319 HydrophobicContact CB-CG 3.66Å; D310-F319 HydrophobicContact CB-CZ 4.07Å; D310-F319 VanDerWaalsContact CG-CB 3.41Å; D310-F319 WeakPolarHBondContact OD1-CA 3.09Å; D310-F319 WeakPolarHBondContact OD1-CB 3.33Å; D310-F319 WeakPolarHBondContact OD1-CG 3.46Å; D310-G320 PolarHBondContact OD1-N 2.85Å |
| 311 | H | 93.8 | Very high | 94.9 | Very high | 114 Ų | 114 | 66.2 Ų | 66.2 | 53% | 0.528 | 35% | 0.349 | S | S | . | . | trans | -138.8 | 135.4 | -174.7 | -168.1 | -40.9 | 0 | 0 | 0 | 110.7 | A309 A313 C314 | A309-H311 PolarHBondContact O-N 3.28Å; H311-A313 PolarHBondContact ND1-N 3.19Å; H311-A313 VanDerWaalsContact ND1-N 3.11Å; H311-A313 PolarHBondContact O-N 2.86Å; H311-C314 PolarHBondContact O-N 2.93Å; H311-C314 VanDerWaalsContact O-O 3.07Å | ||
| 312 | E | 91.4 | Very high | 95 | Very high | 171 Ų | 171 | 62.7 Ų | 62.7 | 80% | 0.799 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -16.7 | -180 | 63.3 | 175.6 | -162.5 | 0 | 0 | 115.9 | C314 | E312-C314 CarbonylContact C-O 3.46Å; E312-C314 PolarHBondContact O-N 2.82Å |
| 313 | A | 91.9 | Very high | 94.9 | Very high | 33 Ų | 33 | 63 Ų | 63 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -29.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | C252 H311 | C252-A313 WeakPolarHBondContact CB-O 3.15Å; H311-A313 PolarHBondContact ND1-N 3.19Å; H311-A313 VanDerWaalsContact ND1-N 3.11Å; H311-A313 PolarHBondContact O-N 2.86Å |
| 314 | C | 94.2 | Very high | 95.1 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 8% | 0.081 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -103.1 | 163.7 | 176 | -48 | 0 | 0 | 0 | 0 | 110 | C252 H311 E312 | C252-C314 HydrophobicContact CB-CB 3.73Å; C252-C314 WeakPolarHBondContact CB-SG 3.25Å; C252-C314 WeakPolarHBondContact SG-CB 3.27Å; C252-C314 CovalentContact SG-SG 2.04Å; C252-C314 PolarHBondContact SG-SG 3.08Å; H311-C314 PolarHBondContact O-N 2.93Å; H311-C314 VanDerWaalsContact O-O 3.07Å; E312-C314 CarbonylContact C-O 3.46Å; E312-C314 PolarHBondContact O-N 2.82Å |
| 315 | T | 94.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -85.2 | 157.2 | 178 | 57.7 | 0 | 0 | 0 | 0 | 113 | M44 K45 Q48 F317 H318 | M44-T315 HydrophobicContact CB-CG2 3.9Å; K45-T315 HydrophobicContact CG-CG2 4.12Å; Q48-T315 VanDerWaalsContact OE1-C 3.29Å; T315-F317 HydrophobicContact CG2-CD2 4.44Å; T315-F317 PolarHBondContact O-N 3.14Å; T315-F317 WeakPolarHBondContact OG1-CD2 3.4Å; T315-H318 PolarHBondContact O-N 2.03Å; T315-H318 PolarHBondContact OG1-CD2 3.09Å | ||
| 316 | I | 95 | Very high | 95.2 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 19% | 0.185 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -53.2 | -26.7 | 174.8 | 66.2 | 175.6 | 0 | 0 | 0 | 112.4 | Q48 V51 L52 H318 F319 T322 | Q48-I316 HydrophobicContact CG-CD1 4.22Å; Q48-I316 HydrophobicContact CG-CG1 4.1Å; Q48-I316 HydrophobicContact CG-CG2 4.32Å; V51-I316 HydrophobicContact CG1-CD1 4.29Å; L52-I316 HydrophobicContact CD2-CD1 4.2Å; I316-H318 PolarHBondContact O-N 3.37Å; I316-H318 VanDerWaalsContact O-N 3.13Å; I316-F319 HydrophobicContact CB-CD2 4.14Å; I316-F319 HydrophobicContact CB-CE2 4.07Å; I316-F319 HydrophobicContact CB-CZ 4.45Å; I316-F319 HydrophobicContact CG2-CD2 4.16Å; I316-F319 HydrophobicContact CG2-CE2 3.6Å; I316-F319 HydrophobicContact CG2-CZ 3.93Å; I316-F319 PolarHBondContact O-N 3.33Å; I316-F319 VanDerWaalsContact O-N 3.09Å; I316-T322 WeakPolarHBondContact O-CB 3.48Å; I316-T322 PolarHBondContact O-OG1 3.37Å |
| 317 | F | 94.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -60.3 | -18.7 | 174.3 | -51.9 | -58 | 0 | 0 | 0 | 113.8 | M44 R47 Q48 V51 P58 P137 T315 N332 | M44-F317 HydrophobicContact CE-CD2 3.75Å; M44-F317 HydrophobicContact CE-CE2 4.36Å; M44-F317 HydrophobicContact CE-CG 4.45Å; R47-F317 HydrophobicContact CB-CE2 4.43Å; R47-F317 HydrophobicContact CG-CE2 4.11Å; R47-F317 HydrophobicContact CG-CZ 3.94Å; Q48-F317 HydrophobicContact CB-CE2 4.04Å; Q48-F317 HydrophobicContact CB-CZ 4.49Å; V51-F317 HydrophobicContact CG2-CZ 4.34Å; P58-F317 HydrophobicContact CB-CE1 3.93Å; P58-F317 WeakPolarHBondContact O-CE1 3.37Å; P137-F317 HydrophobicContact CB-CB 3.85Å; P137-F317 HydrophobicContact CB-CD1 3.88Å; P137-F317 HydrophobicContact CB-CD2 4Å; P137-F317 HydrophobicContact CB-CE1 4.44Å; P137-F317 HydrophobicContact CB-CG 3.63Å; P137-F317 HydrophobicContact CG-CB 4.07Å; P137-F317 HydrophobicContact CG-CD1 3.62Å; P137-F317 HydrophobicContact CG-CE1 4.22Å; P137-F317 HydrophobicContact CG-CG 3.87Å; T315-F317 HydrophobicContact CG2-CD2 4.44Å; T315-F317 PolarHBondContact O-N 3.14Å; T315-F317 WeakPolarHBondContact OG1-CD2 3.4Å; F317-N332 PolarHBondContact O-ND2 3.09Å |
| 318 | H | 96.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -106.4 | 3.8 | 177.9 | -61.6 | -63 | 0 | 0 | 0 | 113.9 | H140 G142 P143 A144 Y307 T315 I316 | H140-H318 PolarHBondContact O-CE1 2.79Å; H140-H318 PolarHBondContact O-NE2 3.35Å; G142-H318 PolarHBondContact N-CE1 3.44Å; G142-H318 PolarHBondContact N-NE2 2.59Å; P143-H318 HydrophobicContact CG-CB 3.92Å; A144-H318 HydrophobicContact CB-CB 4.4Å; A144-H318 WeakPolarHBondContact CB-ND1 3.42Å; Y307-H318 VanDerWaalsContact CE1-O 3.24Å; Y307-H318 WeakPolarHBondContact CE1-O 3.26Å; Y307-H318 VanDerWaalsContact CZ-O 3.3Å; Y307-H318 PolarHBondContact OH-O 3.45Å; T315-H318 PolarHBondContact O-N 2.03Å; T315-H318 PolarHBondContact OG1-CD2 3.09Å; I316-H318 PolarHBondContact O-N 3.37Å; I316-H318 VanDerWaalsContact O-N 3.13Å |
| 319 | F | 96.9 | Very high | 94.4 | Very high | 47 Ų | 47 | 49.7 Ų | 49.7 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | trans | -68.7 | 147.3 | 179.2 | -68.5 | -2.2 | 0 | 0 | 0 | 110.6 | D310 I316 K321 T322 N332 | D310-F319 HydrophobicContact CB-CB 4.28Å; D310-F319 HydrophobicContact CB-CD1 3.62Å; D310-F319 HydrophobicContact CB-CD2 3.89Å; D310-F319 HydrophobicContact CB-CE1 3.85Å; D310-F319 HydrophobicContact CB-CE2 4.08Å; D310-F319 HydrophobicContact CB-CG 3.66Å; D310-F319 HydrophobicContact CB-CZ 4.07Å; D310-F319 VanDerWaalsContact CG-CB 3.41Å; D310-F319 WeakPolarHBondContact OD1-CA 3.09Å; D310-F319 WeakPolarHBondContact OD1-CB 3.33Å; D310-F319 WeakPolarHBondContact OD1-CG 3.46Å; I316-F319 HydrophobicContact CB-CD2 4.14Å; I316-F319 HydrophobicContact CB-CE2 4.07Å; I316-F319 HydrophobicContact CB-CZ 4.45Å; I316-F319 HydrophobicContact CG2-CD2 4.16Å; I316-F319 HydrophobicContact CG2-CE2 3.6Å; I316-F319 HydrophobicContact CG2-CZ 3.93Å; I316-F319 PolarHBondContact O-N 3.33Å; I316-F319 VanDerWaalsContact O-N 3.09Å; F319-K321 PolarHBondContact O-N 2.64Å; F319-T322 WeakPolarHBondContact CB-OG1 3.47Å; F319-T322 WeakPolarHBondContact O-CB 3.49Å; F319-T322 PolarHBondContact O-N 3.35Å; F319-N332 PolarHBondContact O-ND2 3.1Å | ||
| 320 | G | 97.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -29.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y307 D310 K333 | Y307-G320 VanDerWaalsContact CE1-N 3.35Å; D310-G320 PolarHBondContact OD1-N 2.85Å; G320-K333 WeakPolarHBondContact O-CB 3.21Å; G320-K333 WeakPolarHBondContact O-CD 3.5Å; G320-K333 WeakPolarHBondContact O-CG 3.29Å; G320-K333 PolarHBondContact O-N 3.24Å |
| 321 | K | 97.3 | Very high | 94.3 | Very high | 159 Ų | 159 | 47.5 Ų | 47.5 | 69% | 0.691 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -8.5 | 178.3 | -67.1 | -177.6 | -178.2 | 174.4 | 0 | 113.9 | F319 | F319-K321 PolarHBondContact O-N 2.64Š|
| 322 | T | 95.8 | Very high | 94.5 | Very high | 29 Ų | 29 | 42 Ų | 42 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -65.5 | 136.2 | 176.8 | -62.4 | 0 | 0 | 0 | 0 | 109.5 | I316 F319 M324 F325 K331 N332 | I316-T322 WeakPolarHBondContact O-CB 3.48Å; I316-T322 PolarHBondContact O-OG1 3.37Å; F319-T322 WeakPolarHBondContact CB-OG1 3.47Å; F319-T322 WeakPolarHBondContact O-CB 3.49Å; F319-T322 PolarHBondContact O-N 3.35Å; T322-M324 PolarHBondContact O-N 2.99Å; T322-F325 HydrophobicContact CG2-CE2 4.47Å; T322-K331 WeakPolarHBondContact O-CA 3.49Å; T322-N332 PolarHBondContact O-N 2.84Å |
| 323 | P | 95.4 | Very high | 94.8 | Very high | 53 Ų | 53 | 38.1 Ų | 38.1 | 34% | 0.344 | 20% | 0.204 | S | C | . | . | B | Isolated β-bridge | trans | -57 | 138.3 | 174.1 | -20.4 | 31 | 0 | 0 | 0 | 110.8 | F325 L330 | P323-F325 VanDerWaalsContact C-N 3.29Å; P323-F325 HydrophobicContact CB-CD2 4.27Å; P323-F325 HydrophobicContact CB-CE1 3.95Å; P323-F325 HydrophobicContact CB-CE2 3.67Å; P323-F325 HydrophobicContact CB-CZ 3.47Å; P323-F325 VanDerWaalsContact CB-CZ 3.47Å; P323-F325 HydrophobicContact CG-CE1 4.45Å; P323-F325 HydrophobicContact CG-CE2 3.95Å; P323-F325 HydrophobicContact CG-CZ 3.64Å; P323-F325 WeakPolarHBondContact O-CD2 3.44Å; P323-F325 WeakPolarHBondContact O-CE2 3.19Å; P323-F325 PolarHBondContact O-N 3.38Å; P323-L330 CarbonylContact C-O 3.6Å; P323-L330 WeakPolarHBondContact CA-O 3.11Å |
| 324 | M | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -80.4 | 77.1 | 178.8 | -174.9 | -172.7 | -73.7 | 0 | 0 | 108.6 | P147 W148 E151 T322 F327 L330 | P147-M324 HydrophobicContact CB-CE 4.13Å; W148-M324 HydrophobicContact CG-CG 4.41Å; E151-M324 HydrophobicContact CB-SD 3.83Å; E151-M324 HydrophobicContact CG-SD 4.19Å; T322-M324 PolarHBondContact O-N 2.99Å; M324-F327 HydrophobicContact CG-CD2 3.92Å; M324-F327 CarbonylContact O-C 3.51Å; M324-F327 VanDerWaalsContact O-CA 3.28Å; M324-F327 WeakPolarHBondContact O-CA 3.39Å; M324-F327 VanDerWaalsContact O-CB 3.31Å; M324-F327 WeakPolarHBondContact O-CB 3.32Å; M324-F327 PolarHBondContact O-N 3.41Å; M324-F327 HydrophobicContact SD-CB 4.48Å; M324-F327 HydrophobicContact SD-CD2 3.74Å; M324-L330 HydrophobicContact CB-CB 4.24Å; M324-L330 PolarHBondContact N-O 2.88Å | ||
| 325 | F | 93.8 | Very high | 95 | Very high | 36 Ų | 36 | 38.6 Ų | 38.6 | 16% | 0.158 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 138.2 | -176 | -64.9 | -74.9 | 0 | 0 | 0 | 112.6 | F59 L135 W148 T322 P323 | F59-F325 AromaticContact CD1-CD1 3.85Å; F59-F325 HydrophobicContact CD1-CD1 3.85Å; F59-F325 AromaticContact CD1-CD2 3.52Å; F59-F325 HydrophobicContact CD1-CD2 3.52Å; F59-F325 AromaticContact CD1-CE1 3.72Å; F59-F325 HydrophobicContact CD1-CE1 3.72Å; F59-F325 AromaticContact CD1-CE2 3.36Å; F59-F325 HydrophobicContact CD1-CE2 3.36Å; F59-F325 AromaticContact CD1-CG 3.77Å; F59-F325 HydrophobicContact CD1-CG 3.77Å; F59-F325 AromaticContact CD1-CZ 3.48Å; F59-F325 HydrophobicContact CD1-CZ 3.48Å; F59-F325 VanDerWaalsContact CD1-CZ 3.48Å; F59-F325 AromaticContact CD2-CD1 3.89Å; F59-F325 HydrophobicContact CD2-CD1 3.89Å; F59-F325 HydrophobicContact CD2-CE1 4.08Å; F59-F325 HydrophobicContact CD2-CG 4.31Å; F59-F325 AromaticContact CE1-CD1 3.85Å; F59-F325 HydrophobicContact CE1-CD1 3.85Å; F59-F325 AromaticContact CE1-CD2 3.9Å; F59-F325 HydrophobicContact CE1-CD2 3.9Å; F59-F325 AromaticContact CE1-CE1 3.23Å; F59-F325 HydrophobicContact CE1-CE1 3.23Å; F59-F325 AromaticContact CE1-CE2 3.28Å; F59-F325 HydrophobicContact CE1-CE2 3.28Å; F59-F325 HydrophobicContact CE1-CG 4.16Å; F59-F325 AromaticContact CE1-CZ 2.9Å; F59-F325 HydrophobicContact CE1-CZ 2.9Å; F59-F325 AromaticContact CE2-CD1 3.79Å; F59-F325 HydrophobicContact CE2-CD1 3.79Å; F59-F325 AromaticContact CE2-CE1 3.55Å; F59-F325 HydrophobicContact CE2-CE1 3.55Å; F59-F325 HydrophobicContact CE2-CZ 4.15Å; F59-F325 AromaticContact CG-CD1 3.95Å; F59-F325 HydrophobicContact CG-CD1 3.95Å; F59-F325 HydrophobicContact CG-CD2 4.11Å; F59-F325 HydrophobicContact CG-CE1 4.18Å; F59-F325 HydrophobicContact CG-CE2 4.32Å; F59-F325 AromaticContact CG-CG 3.93Å; F59-F325 HydrophobicContact CG-CG 3.93Å; F59-F325 HydrophobicContact CG-CZ 4.37Å; F59-F325 AromaticContact CZ-CD1 3.8Å; F59-F325 HydrophobicContact CZ-CD1 3.8Å; F59-F325 AromaticContact CZ-CE1 3.12Å; F59-F325 HydrophobicContact CZ-CE1 3.12Å; F59-F325 HydrophobicContact CZ-CE2 4.1Å; F59-F325 AromaticContact CZ-CZ 3.3Å; F59-F325 HydrophobicContact CZ-CZ 3.3Å; L135-F325 WeakPolarHBondContact O-CB 3.38Å; W148-F325 PolarHBondContact NE1-O 2.89Å; T322-F325 HydrophobicContact CG2-CE2 4.47Å; P323-F325 VanDerWaalsContact C-N 3.29Å; P323-F325 HydrophobicContact CB-CD2 4.27Å; P323-F325 HydrophobicContact CB-CE1 3.95Å; P323-F325 HydrophobicContact CB-CE2 3.67Å; P323-F325 HydrophobicContact CB-CZ 3.47Å; P323-F325 VanDerWaalsContact CB-CZ 3.47Å; P323-F325 HydrophobicContact CG-CE1 4.45Å; P323-F325 HydrophobicContact CG-CE2 3.95Å; P323-F325 HydrophobicContact CG-CZ 3.64Å; P323-F325 WeakPolarHBondContact O-CD2 3.44Å; P323-F325 WeakPolarHBondContact O-CE2 3.19Å; P323-F325 PolarHBondContact O-N 3.38Å |
| 326 | P | 93 | Very high | 95 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92.3 | 15 | -1.7 | 36.7 | -34.8 | 0 | 0 | 0 | 114.5 | E62 L130 L135 S328 | E62-P326 HydrophobicContact CG-CB 3.75Å; E62-P326 WeakPolarHBondContact OE1-CB 3.3Å; L130-P326 HydrophobicContact CD2-CG 3.49Å; L130-P326 VanDerWaalsContact CD2-CG 3.49Å; L135-P326 HydrophobicContact CD1-CB 4.16Å; L135-P326 HydrophobicContact CD2-CB 4.4Å; L135-P326 HydrophobicContact CD2-CG 4.04Å; L135-P326 HydrophobicContact CG-CB 4.21Å; L135-P326 HydrophobicContact CG-CG 4.15Å; P326-S328 PolarHBondContact O-N 2.92Å |
| 327 | F | 93 | Very high | 95 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -79.6 | 44.6 | -175.1 | -48.4 | -41.7 | 0 | 0 | 0 | 113.8 | W148 E151 Y152 R155 M324 L330 | W148-F327 HydrophobicContact CD2-CE2 4.01Å; W148-F327 AromaticContact CE2-CE2 3.51Å; W148-F327 AromaticContact CE2-CZ 3.96Å; W148-F327 HydrophobicContact CG-CE2 4.29Å; W148-F327 HydrophobicContact CH2-CE2 4.48Å; W148-F327 HydrophobicContact CH2-CZ 4.25Å; W148-F327 AromaticContact CZ2-CE2 3.79Å; W148-F327 HydrophobicContact CZ2-CE2 3.79Å; W148-F327 AromaticContact CZ2-CZ 3.72Å; W148-F327 HydrophobicContact CZ2-CZ 3.72Å; W148-F327 AromaticContact NE1-CE2 3.56Å; E151-F327 HydrophobicContact CB-CD2 3.93Å; E151-F327 HydrophobicContact CB-CE2 4.17Å; E151-F327 HydrophobicContact CG-CB 4Å; E151-F327 HydrophobicContact CG-CD1 4.4Å; E151-F327 HydrophobicContact CG-CD2 3.42Å; E151-F327 VanDerWaalsContact CG-CD2 3.42Å; E151-F327 HydrophobicContact CG-CE2 3.95Å; E151-F327 HydrophobicContact CG-CG 3.68Å; Y152-F327 HydrophobicContact CD2-CZ 4.16Å; R155-F327 VanDerWaalsContact CZ-CD1 3.41Å; R155-F327 VanDerWaalsContact NE-CD1 3.34Å; M324-F327 HydrophobicContact CG-CD2 3.92Å; M324-F327 CarbonylContact O-C 3.51Å; M324-F327 VanDerWaalsContact O-CA 3.28Å; M324-F327 WeakPolarHBondContact O-CA 3.39Å; M324-F327 VanDerWaalsContact O-CB 3.31Å; M324-F327 WeakPolarHBondContact O-CB 3.32Å; M324-F327 PolarHBondContact O-N 3.41Å; M324-F327 HydrophobicContact SD-CB 4.48Å; M324-F327 HydrophobicContact SD-CD2 3.74Å; F327-L330 HydrophobicContact CB-CD1 4.17Å; F327-L330 WeakPolarHBondContact O-CB 3.27Å; F327-L330 WeakPolarHBondContact O-CG 3.07Å; F327-L330 PolarHBondContact O-N 3.3Å |
| 328 | S | 86.8 | Confident | 94.9 | Very high | 69 Ų | 69 | 46.7 Ų | 46.7 | 48% | 0.483 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 142.4 | 173.5 | -171.9 | 0 | 0 | 0 | 0 | 110.9 | P326 | P326-S328 PolarHBondContact O-N 2.92Š|
| 329 | P | 91.7 | Very high | 94.7 | Very high | 88 Ų | 88 | 48.3 Ų | 48.3 | 57% | 0.571 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -90.4 | 14.4 | 3.4 | 37.4 | -36.9 | 0 | 0 | 0 | 114.5 | ||
| 330 | L | 95.1 | Very high | 94.5 | Very high | 43 Ų | 43 | 46.7 Ų | 46.7 | 23% | 0.225 | 25% | 0.245 | C | C | . | . | trans | -62 | 148.1 | -178.3 | -59.2 | 174.9 | 0 | 0 | 0 | 111.1 | E151 P323 M324 F327 D334 | E151-L330 HydrophobicContact CG-CD1 3.76Å; P323-L330 CarbonylContact C-O 3.6Å; P323-L330 WeakPolarHBondContact CA-O 3.11Å; M324-L330 HydrophobicContact CB-CB 4.24Å; M324-L330 PolarHBondContact N-O 2.88Å; F327-L330 HydrophobicContact CB-CD1 4.17Å; F327-L330 WeakPolarHBondContact O-CB 3.27Å; F327-L330 WeakPolarHBondContact O-CG 3.07Å; F327-L330 PolarHBondContact O-N 3.3Å; L330-D334 HydrophobicContact CD2-CB 4.26Å | ||
| 331 | K | 97.1 | Very high | 94.4 | Very high | 88 Ų | 88 | 47.3 Ų | 47.3 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -106.1 | 157.1 | 170.5 | -62.3 | 166.2 | -175.5 | 167.9 | 0 | 109.1 | T322 K333 D334 | T322-K331 WeakPolarHBondContact O-CA 3.49Å; K331-K333 HydrophobicContact CB-CG 4.23Å; K331-K333 PolarHBondContact O-N 2.89Å; K331-K333 VanDerWaalsContact O-N 3.08Å; K331-D334 WeakPolarHBondContact CB-OD2 3.49Å; K331-D334 PolarHBondContact N-OD2 3.17Å; K331-D334 WeakPolarHBondContact O-CB 3.35Å; K331-D334 PolarHBondContact O-N 3.08Å |
| 332 | N | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -51.4 | -39.4 | 180 | -71.5 | -35.5 | 0 | 0 | 0 | 113.2 | A138 A144 P147 Y307 F317 F319 T322 D334 G335 | A138-N332 WeakPolarHBondContact CB-OD1 3.32Å; A144-N332 HydrophobicContact CB-CB 3.94Å; P147-N332 WeakPolarHBondContact CB-O 3.12Å; Y307-N332 HydrophobicContact CE2-CB 4.03Å; Y307-N332 WeakPolarHBondContact OH-CB 3.28Å; F317-N332 PolarHBondContact O-ND2 3.09Å; F319-N332 PolarHBondContact O-ND2 3.1Å; T322-N332 PolarHBondContact O-N 2.84Å; N332-D334 PolarHBondContact O-N 3.1Å; N332-G335 PolarHBondContact O-N 2.76Å |
| 333 | K | 97.2 | Very high | 93.9 | Very high | 89 Ų | 89 | 47.8 Ų | 47.8 | 39% | 0.387 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -64.6 | -23.7 | 177.7 | 72.8 | -177.6 | -175.9 | 157.3 | 0 | 114.6 | Y307 G320 K331 G335 L336 | Y307-K333 HydrophobicContact CD1-CB 4.43Å; Y307-K333 VanDerWaalsContact CD2-CA 3.43Å; Y307-K333 HydrophobicContact CD2-CB 3.85Å; Y307-K333 HydrophobicContact CG-CB 3.73Å; G320-K333 WeakPolarHBondContact O-CB 3.21Å; G320-K333 WeakPolarHBondContact O-CD 3.5Å; G320-K333 WeakPolarHBondContact O-CG 3.29Å; G320-K333 PolarHBondContact O-N 3.24Å; K331-K333 HydrophobicContact CB-CG 4.23Å; K331-K333 PolarHBondContact O-N 2.89Å; K331-K333 VanDerWaalsContact O-N 3.08Å; K333-G335 PolarHBondContact O-N 3.34Å; K333-L336 WeakPolarHBondContact O-CB 3.25Å; K333-L336 PolarHBondContact O-N 3.41Å |
| 334 | D | 96 | Very high | 93.8 | Very high | 55 Ų | 55 | 46.9 Ų | 46.9 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -71.7 | -23.2 | -177.2 | -57.6 | -30 | 0 | 0 | 0 | 111 | L330 K331 N332 L336 S337 | L330-D334 HydrophobicContact CD2-CB 4.26Å; K331-D334 WeakPolarHBondContact CB-OD2 3.49Å; K331-D334 PolarHBondContact N-OD2 3.17Å; K331-D334 WeakPolarHBondContact O-CB 3.35Å; K331-D334 PolarHBondContact O-N 3.08Å; N332-D334 PolarHBondContact O-N 3.1Å; D334-L336 PolarHBondContact O-N 3.23Å; D334-S337 WeakPolarHBondContact O-CB 3.36Å; D334-S337 PolarHBondContact O-N 3.2Å |
| 335 | G | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -67.4 | -9.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R150 N332 K333 S337 | R150-G335 WeakPolarHBondContact CD-O 3.17Å; N332-G335 PolarHBondContact O-N 2.76Å; K333-G335 PolarHBondContact O-N 3.34Å; G335-S337 VanDerWaalsContact C-N 3.28Å |
| 336 | L | 94.3 | Very high | 94 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 13% | 0.131 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -82.6 | -4.2 | 168.1 | -83.5 | 172.9 | 0 | 0 | 0 | 113.6 | L246 F295 Y307 K333 D334 R338 | L246-L336 HydrophobicContact CD2-CD1 3.78Å; L246-L336 HydrophobicContact CD2-CD2 4.09Å; L246-L336 HydrophobicContact CD2-CG 3.97Å; F295-L336 HydrophobicContact CE2-CD2 4.11Å; F295-L336 HydrophobicContact CZ-CD2 3.59Å; Y307-L336 VanDerWaalsContact CA-CD1 3.48Å; Y307-L336 HydrophobicContact CD2-CD1 3.77Å; Y307-L336 HydrophobicContact CD2-CG 4.42Å; Y307-L336 HydrophobicContact CG-CD1 4.26Å; Y307-L336 VanDerWaalsContact N-CD1 3.27Å; K333-L336 WeakPolarHBondContact O-CB 3.25Å; K333-L336 PolarHBondContact O-N 3.41Å; D334-L336 PolarHBondContact O-N 3.23Å; L336-R338 PolarHBondContact O-N 3.09Å |
| 337 | S | 93.7 | Very high | 94.3 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 36% | 0.357 | 26% | 0.259 | S | S | . | . | trans | -57.5 | 133.9 | -176.1 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | D334 G335 A339 Y340 | D334-S337 WeakPolarHBondContact O-CB 3.36Å; D334-S337 PolarHBondContact O-N 3.2Å; G335-S337 VanDerWaalsContact C-N 3.28Å; S337-A339 PolarHBondContact O-N 3.4Å; S337-A339 VanDerWaalsContact OG-CB 3.26Å; S337-A339 WeakPolarHBondContact OG-CB 3.06Å; S337-A339 PolarHBondContact OG-N 2.71Å; S337-A339 VanDerWaalsContact OG-N 3.15Å; S337-Y340 WeakPolarHBondContact O-CD2 3.02Å; S337-Y340 PolarHBondContact O-N 3.06Å | ||
| 338 | R | 93.1 | Very high | 94.5 | Very high | 134 Ų | 134 | 50.4 Ų | 50.4 | 51% | 0.506 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.1 | 171.4 | -63.1 | -178.1 | -178.3 | -179 | 0.5 | 112 | P303 L336 Y340 T341 T342 | P303-R338 PolarHBondContact O-NH2 3.04Å; L336-R338 PolarHBondContact O-N 3.09Å; R338-Y340 PolarHBondContact O-N 2.75Å; R338-T341 PolarHBondContact O-N 3.18Å; R338-T341 VanDerWaalsContact O-N 3.12Å; R338-T342 WeakPolarHBondContact O-CG2 3.18Å; R338-T342 PolarHBondContact O-N 3.35Å; R338-T342 PolarHBondContact O-OG1 2.86Å; R338-T342 VanDerWaalsContact O-OG1 3.12Å |
| 339 | A | 91.9 | Very high | 94.9 | Very high | 35 Ų | 35 | 54.5 Ų | 54.5 | 29% | 0.289 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57 | -33.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S337 T341 T342 K343 Y344 | S337-A339 PolarHBondContact O-N 3.4Å; S337-A339 VanDerWaalsContact OG-CB 3.26Å; S337-A339 WeakPolarHBondContact OG-CB 3.06Å; S337-A339 PolarHBondContact OG-N 2.71Å; S337-A339 VanDerWaalsContact OG-N 3.15Å; A339-T341 VanDerWaalsContact C-N 3.29Å; A339-T341 PolarHBondContact O-N 2.72Å; A339-T342 WeakPolarHBondContact CA-OG1 3.31Å; A339-T342 PolarHBondContact O-N 2.87Å; A339-K343 VanDerWaalsContact O-CB 3.25Å; A339-K343 WeakPolarHBondContact O-CB 3.25Å; A339-K343 PolarHBondContact O-N 3.38Å; A339-Y344 VanDerWaalsContact O-CD2 3.27Å; A339-Y344 WeakPolarHBondContact O-CD2 3.41Å |
| 340 | Y | 94.2 | Very high | 95 | Very high | 13 Ų | 13 | 51.2 Ų | 51.2 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -51.8 | -50.3 | 175.7 | -77.5 | -81 | 0 | 0 | 0 | 111.5 | R150 E151 R154 S337 R338 Y344 Y345 | R150-Y340 HydrophobicContact CG-CD1 3.49Å; R150-Y340 VanDerWaalsContact CG-CD1 3.49Å; R150-Y340 HydrophobicContact CG-CD2 3.9Å; R150-Y340 HydrophobicContact CG-CE1 3.8Å; R150-Y340 HydrophobicContact CG-CE2 4.21Å; R150-Y340 HydrophobicContact CG-CG 3.54Å; E151-Y340 HydrophobicContact CB-CE1 4.32Å; E151-Y340 WeakPolarHBondContact CB-OH 3.28Å; E151-Y340 VanDerWaalsContact OE2-CE1 3.28Å; E151-Y340 WeakPolarHBondContact OE2-CE1 3.35Å; E151-Y340 PolarHBondContact OE2-OH 3.34Å; R154-Y340 HydrophobicContact CB-CD1 4.21Å; R154-Y340 HydrophobicContact CB-CE1 4.05Å; R154-Y340 HydrophobicContact CG-CD1 4.4Å; R154-Y340 HydrophobicContact CG-CE1 4.36Å; S337-Y340 WeakPolarHBondContact O-CD2 3.02Å; S337-Y340 PolarHBondContact O-N 3.06Å; R338-Y340 PolarHBondContact O-N 2.75Å; Y340-Y344 WeakPolarHBondContact O-CB 3.46Å; Y340-Y344 PolarHBondContact O-N 2.02Å; Y340-Y345 HydrophobicContact CD1-CE1 4.3Å; Y340-Y345 PolarHBondContact O-N 3.04Å |
| 341 | T | 94.4 | Very high | 94.9 | Very high | 20 Ų | 20 | 49.8 Ų | 49.8 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -95.2 | -8.1 | -173.2 | 56.7 | 0 | 0 | 0 | 0 | 115.2 | E296 R338 A339 Y345 | E296-T341 HydrophobicContact CB-CG2 4.46Å; E296-T341 VanDerWaalsContact CD-OG1 3.3Å; E296-T341 HydrophobicContact CG-CG2 3.72Å; E296-T341 PolarHBondContact OE1-OG1 3.1Å; E296-T341 WeakPolarHBondContact OE2-CG2 3.5Å; R338-T341 PolarHBondContact O-N 3.18Å; R338-T341 VanDerWaalsContact O-N 3.12Å; A339-T341 VanDerWaalsContact C-N 3.29Å; A339-T341 PolarHBondContact O-N 2.72Å; T341-Y345 CarbonylContact C-O 3.6Å; T341-Y345 VanDerWaalsContact C-O 3.27Å; T341-Y345 WeakPolarHBondContact CA-O 3.44Å; T341-Y345 HydrophobicContact CG2-CD2 4.33Å; T341-Y345 HydrophobicContact CG2-CE2 3.9Å |
| 342 | T | 92.1 | Very high | 94.7 | Very high | 108 Ų | 108 | 51.7 Ų | 51.7 | 66% | 0.663 | 26% | 0.263 | S | S | * | . | I | π-helix | trans | -99.2 | -25.7 | 173.4 | 61 | 0 | 0 | 0 | 0 | 113.4 | R338 A339 | R338-T342 WeakPolarHBondContact O-CG2 3.18Å; R338-T342 PolarHBondContact O-N 3.35Å; R338-T342 PolarHBondContact O-OG1 2.86Å; R338-T342 VanDerWaalsContact O-OG1 3.12Å; A339-T342 WeakPolarHBondContact CA-OG1 3.31Å; A339-T342 PolarHBondContact O-N 2.87Å |
| 343 | K | 91.4 | Very high | 94.4 | Very high | 89 Ų | 89 | 51.8 Ų | 51.8 | 39% | 0.387 | 26% | 0.264 | S | S | . | . | I | π-helix | trans | -110.4 | -40.1 | -176.6 | -177.7 | 179.4 | 167.3 | -162.1 | 0 | 113.7 | A339 | A339-K343 VanDerWaalsContact O-CB 3.25Å; A339-K343 WeakPolarHBondContact O-CB 3.25Å; A339-K343 PolarHBondContact O-N 3.38Å |
| 344 | Y | 92.9 | Very high | 94.1 | Very high | 34 Ų | 34 | 50.4 Ų | 50.4 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -103.6 | -43.9 | -166.4 | -54.4 | -87.6 | 0 | 0 | 0 | 113.6 | D79 A89 A90 R154 A339 Y340 | D79-Y344 VanDerWaalsContact CG-OH 3.25Å; D79-Y344 VanDerWaalsContact OD2-CZ 3.28Å; D79-Y344 PolarHBondContact OD2-OH 3.11Å; A89-Y344 CarbonylContact C-O 3.49Å; A89-Y344 VanDerWaalsContact CA-O 3.31Å; A89-Y344 WeakPolarHBondContact CA-O 3.06Å; A90-Y344 PolarHBondContact N-O 3.46Å; R154-Y344 HydrophobicContact CG-CD1 4.2Å; R154-Y344 HydrophobicContact CG-CG 4.12Å; A339-Y344 VanDerWaalsContact O-CD2 3.27Å; A339-Y344 WeakPolarHBondContact O-CD2 3.41Å; Y340-Y344 WeakPolarHBondContact O-CB 3.46Å; Y340-Y344 PolarHBondContact O-N 2.02Å |
| 345 | Y | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 166.9 | -180 | 60.1 | -94.4 | 0 | 0 | 0 | 112.6 | A90 R92 R150 R154 D292 Y340 T341 Y347 | A90-Y345 CarbonylContact O-C 3.5Å; A90-Y345 WeakPolarHBondContact O-CA 3.34Å; R92-Y345 HydrophobicContact CG-CD2 4.49Å; R92-Y345 VanDerWaalsContact NH2-CD1 3.31Å; R92-Y345 VanDerWaalsContact NH2-CE1 3.33Å; R150-Y345 WeakPolarHBondContact CG-OH 3.37Å; R154-Y345 HydrophobicContact CB-CE1 4.43Å; D292-Y345 WeakPolarHBondContact OD2-CE2 3.43Å; D292-Y345 PolarHBondContact OD2-OH 3.1Å; Y340-Y345 HydrophobicContact CD1-CE1 4.3Å; Y340-Y345 PolarHBondContact O-N 3.04Å; T341-Y345 CarbonylContact C-O 3.6Å; T341-Y345 VanDerWaalsContact C-O 3.27Å; T341-Y345 WeakPolarHBondContact CA-O 3.44Å; T341-Y345 HydrophobicContact CG2-CD2 4.33Å; T341-Y345 HydrophobicContact CG2-CE2 3.9Å; Y345-Y347 HydrophobicContact CD2-CE2 4.04Å; Y345-Y347 AromaticContact CE2-CE2 3.63Å; Y345-Y347 HydrophobicContact CE2-CE2 3.63Å; Y345-Y347 AromaticContact CE2-CZ 3.89Å |
| 346 | S | 97.6 | Very high | 93.6 | Very high | 45 Ų | 45 | 62 Ų | 62 | 32% | 0.315 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 171 | 167.9 | 64.8 | 0 | 0 | 0 | 0 | 109.5 | A90 R92 | A90-S346 PolarHBondContact O-N 3.34Å; R92-S346 PolarHBondContact N-O 3.37Å |
| 347 | Y | 98.2 | Very high | 93.5 | Very high | 35 Ų | 35 | 66.8 Ų | 66.8 | 14% | 0.137 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.4 | 178.8 | -70.4 | -77 | 0 | 0 | 0 | 111.3 | R92 Y171 A289 D292 Y293 E296 Y345 | R92-Y347 HydrophobicContact CB-CD1 3.56Å; R92-Y347 HydrophobicContact CB-CE1 3.58Å; R92-Y347 HydrophobicContact CB-CG 4.5Å; R92-Y347 VanDerWaalsContact CD-CE1 3.47Å; R92-Y347 HydrophobicContact CG-CD1 4.44Å; R92-Y347 HydrophobicContact CG-CE1 4.09Å; R92-Y347 PolarHBondContact NH1-OH 3.29Å; R92-Y347 WeakPolarHBondContact O-CA 3.27Å; Y171-Y347 AromaticContact CD1-CD1 3.81Å; Y171-Y347 HydrophobicContact CD1-CD1 3.81Å; Y171-Y347 HydrophobicContact CD1-CE1 4.17Å; Y171-Y347 HydrophobicContact CE1-CD1 4.11Å; A289-Y347 WeakPolarHBondContact O-CE1 3.36Å; A289-Y347 PolarHBondContact O-OH 2.75Å; D292-Y347 WeakPolarHBondContact CB-OH 3.48Å; D292-Y347 VanDerWaalsContact CG-OH 3.32Å; D292-Y347 PolarHBondContact OD2-OH 3.48Å; Y293-Y347 VanDerWaalsContact CD2-CB 3.48Å; Y293-Y347 HydrophobicContact CD2-CD1 4.04Å; Y293-Y347 AromaticContact CD2-CD2 3.98Å; Y293-Y347 HydrophobicContact CD2-CD2 3.98Å; Y293-Y347 AromaticContact CD2-CG 3.57Å; Y293-Y347 HydrophobicContact CD2-CG 3.57Å; Y293-Y347 AromaticContact CG-CD1 3.97Å; Y293-Y347 HydrophobicContact CG-CD1 3.97Å; Y293-Y347 HydrophobicContact CG-CD2 4.48Å; Y293-Y347 HydrophobicContact CG-CE1 4.49Å; Y293-Y347 AromaticContact CG-CG 3.98Å; Y293-Y347 HydrophobicContact CG-CG 3.98Å; E296-Y347 HydrophobicContact CB-CD2 4.23Å; E296-Y347 HydrophobicContact CB-CE2 4.29Å; E296-Y347 HydrophobicContact CG-CD2 4.47Å; Y345-Y347 HydrophobicContact CD2-CE2 4.04Å; Y345-Y347 AromaticContact CE2-CE2 3.63Å; Y345-Y347 HydrophobicContact CE2-CE2 3.63Å; Y345-Y347 AromaticContact CE2-CZ 3.89Å |
| 348 | S | 96.9 | Very high | 93.3 | Very high | 37 Ų | 37 | 66.5 Ų | 66.5 | 26% | 0.259 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -78 | 141.6 | 156.5 | -62.5 | 0 | 0 | 0 | 0 | 108.9 | V91 R92 Y171 | V91-S348 WeakPolarHBondContact CG1-OG 3.25Å; R92-S348 PolarHBondContact O-N 2.57Å; Y171-S348 WeakPolarHBondContact CE1-O 3.25Å; Y171-S348 PolarHBondContact OH-O 2.92Å |
| 349 | K | 95.5 | Very high | 93.3 | Very high | 155 Ų | 155 | 63.3 Ų | 63.3 | 67% | 0.674 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 150.8 | 176.6 | -68.3 | -170.9 | 173.4 | -168.5 | 0 | 111.7 | Y171 | Y171-K349 PolarHBondContact OH-O 2.65Å; Y171-K349 VanDerWaalsContact OH-O 3.1Å |
| 350 | S | 94.1 | Very high | 93.3 | Very high | 20 Ų | 20 | 62.4 Ų | 62.4 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 138.6 | 169.7 | -170.3 | 0 | 0 | 0 | 0 | 109.6 | Y171 D173 E352 | Y171-S350 VanDerWaalsContact OH-CA 3.25Å; Y171-S350 WeakPolarHBondContact OH-CA 3.37Å; Y171-S350 PolarHBondContact OH-N 3.45Å; Y171-S350 VanDerWaalsContact OH-N 3.11Å; D173-S350 WeakPolarHBondContact OD2-CB 3.29Å; D173-S350 PolarHBondContact OD2-OG 2.87Å; S350-E352 PolarHBondContact O-N 3.3Å; S350-E352 VanDerWaalsContact O-N 3.1Å |
| 351 | P | 93.3 | Very high | 92.7 | Very high | 13 Ų | 13 | 66.1 Ų | 66.1 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | trans | -58.7 | 115.2 | -176.9 | -28.7 | 36.8 | 0 | 0 | 0 | 113 | E94 D97 L365 C374 | E94-P351 HydrophobicContact CB-CG 3.93Å; E94-P351 HydrophobicContact CG-CG 4.49Å; D97-P351 HydrophobicContact CB-CG 4.1Å; P351-L365 HydrophobicContact CB-CD1 3.8Å; P351-L365 HydrophobicContact CG-CD1 3.68Å; P351-C374 HydrophobicContact CB-CB 3.71Å; P351-C374 VanDerWaalsContact O-CB 3.23Å; P351-C374 WeakPolarHBondContact O-CB 3.29Å; P351-C374 PolarHBondContact O-N 3.25Å; P351-C374 PolarHBondContact O-SG 3.24Å | ||
| 352 | E | 92 | Very high | 92.2 | Very high | 127 Ų | 127 | 65.8 Ų | 65.8 | 59% | 0.593 | 35% | 0.346 | S | S | * | . | trans | -111.5 | 153.5 | 177.3 | -72.3 | 172.5 | -161 | 0 | 0 | 111.3 | S350 | S350-E352 PolarHBondContact O-N 3.3Å; S350-E352 VanDerWaalsContact O-N 3.1Å | ||
| 353 | C | 92.3 | Very high | 92 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.014 | 34% | 0.335 | C | S | . | . | trans | -148.4 | 164.4 | 175.1 | 77.6 | 0 | 0 | 0 | 0 | 109.9 | K357 C367 K372 R373 | C353-K357 WeakPolarHBondContact CB-O 3.37Å; C353-C367 HydrophobicContact CB-CB 3.66Å; C353-C367 WeakPolarHBondContact CB-SG 3.35Å; C353-C367 WeakPolarHBondContact SG-CA 3.03Å; C353-C367 WeakPolarHBondContact SG-CB 3.23Å; C353-C367 CovalentContact SG-SG 2.02Å; C353-C367 PolarHBondContact SG-SG 3.3Å; C353-K372 CarbonylContact O-C 2.89Å; C353-K372 WeakPolarHBondContact O-CA 3.39Å; C353-R373 PolarHBondContact SG-O 3.25Å | ||
| 354 | N | 91.4 | Very high | 92.1 | Very high | 61 Ų | 61 | 59.8 Ų | 59.8 | 33% | 0.326 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -159.7 | -177.4 | 178.2 | 57.4 | 62.6 | 0 | 0 | 0 | 111 | K356 K357 P358 | N354-K356 PolarHBondContact O-N 3.45Å; N354-K356 VanDerWaalsContact O-N 3.14Å; N354-K356 WeakPolarHBondContact OD1-CA 3.29Å; N354-K356 VanDerWaalsContact OD1-CB 3.29Å; N354-K356 WeakPolarHBondContact OD1-CB 2.98Å; N354-K356 PolarHBondContact OD1-N 2.87Å; N354-K357 PolarHBondContact N-O 2.86Å; N354-K357 CarbonylContact O-C 2.91Å; N354-K357 PolarHBondContact O-N 3.28Å; N354-K357 VanDerWaalsContact O-N 3.08Å; N354-K357 PolarHBondContact OD1-N 2.91Å; N354-P358 WeakPolarHBondContact O-CA 3.38Å |
| 355 | T | 89.8 | Confident | 92.1 | Very high | 100 Ų | 100 | 58.1 Ų | 58.1 | 61% | 0.613 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -28 | 179.5 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | V369 | T355-V369 HydrophobicContact CG2-CG1 3.35Š|
| 356 | K | 91.1 | Very high | 91.9 | Very high | 197 Ų | 197 | 58.3 Ų | 58.3 | 86% | 0.857 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -28.4 | 177.9 | -57.7 | -176.8 | 178.3 | -178.7 | 0 | 112.7 | N354 | N354-K356 PolarHBondContact O-N 3.45Å; N354-K356 VanDerWaalsContact O-N 3.14Å; N354-K356 WeakPolarHBondContact OD1-CA 3.29Å; N354-K356 VanDerWaalsContact OD1-CB 3.29Å; N354-K356 WeakPolarHBondContact OD1-CB 2.98Å; N354-K356 PolarHBondContact OD1-N 2.87Å |
| 357 | K | 91.1 | Very high | 91.6 | Very high | 126 Ų | 126 | 56.2 Ų | 56.2 | 55% | 0.548 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -132.7 | 79.5 | 174.7 | -172.3 | -173.6 | 176 | -170.5 | 0 | 108.6 | C353 N354 T359 | C353-K357 WeakPolarHBondContact CB-O 3.37Å; N354-K357 PolarHBondContact N-O 2.86Å; N354-K357 CarbonylContact O-C 2.91Å; N354-K357 PolarHBondContact O-N 3.28Å; N354-K357 VanDerWaalsContact O-N 3.08Å; N354-K357 PolarHBondContact OD1-N 2.91Å; K357-T359 PolarHBondContact O-N 2.83Å |
| 358 | P | 91.1 | Very high | 91.2 | Very high | 45 Ų | 45 | 55.5 Ų | 55.5 | 29% | 0.292 | 30% | 0.296 | S | S | . | . | trans | -82 | 32 | -171.6 | 33 | -36.2 | 0 | 0 | 0 | 112.9 | N354 C367 V369 Y389 E391 | N354-P358 WeakPolarHBondContact O-CA 3.38Å; P358-C367 WeakPolarHBondContact O-CB 3.41Å; P358-V369 HydrophobicContact CB-CG2 4.1Å; P358-Y389 WeakPolarHBondContact CB-O 3.32Å; P358-E391 WeakPolarHBondContact O-CG 3.42Å | ||
| 359 | T | 92.2 | Very high | 90.7 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | trans | -135.8 | 149 | -174.5 | 56.7 | 0 | 0 | 0 | 0 | 112.2 | K357 E391 | K357-T359 PolarHBondContact O-N 2.83Å; T359-E391 VanDerWaalsContact CA-CD 3.48Å; T359-E391 WeakPolarHBondContact CB-OE1 3.12Å; T359-E391 HydrophobicContact CG2-CG 4.16Å | ||
| 360 | C | 91.6 | Very high | 90.2 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 11% | 0.108 | 28% | 0.283 | C | S | . | . | trans | -110.4 | 155.9 | 174 | -62.1 | 0 | 0 | 0 | 0 | 110.4 | N362 L365 S366 C367 C374 E391 | C360-N362 PolarHBondContact O-N 2.87Å; C360-L365 HydrophobicContact CB-CB 3.75Å; C360-S366 VanDerWaalsContact SG-C 3.54Å; C360-C367 VanDerWaalsContact SG-CA 3.56Å; C360-C367 PolarHBondContact SG-N 2.73Å; C360-C367 VanDerWaalsContact SG-N 3.38Å; C360-C374 HydrophobicContact CB-CB 3.99Å; C360-C374 WeakPolarHBondContact CB-SG 3.44Å; C360-C374 WeakPolarHBondContact SG-CA 3.08Å; C360-C374 WeakPolarHBondContact SG-CB 3.33Å; C360-C374 CovalentContact SG-SG 2.02Å; C360-C374 PolarHBondContact SG-SG 3.07Å; C360-E391 PolarHBondContact N-OE1 2.95Å; C360-E391 PolarHBondContact N-OE2 3.3Å | ||
| 361 | S | 81.9 | Confident | 89.8 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -75.1 | -22.1 | -165.4 | -6.1 | 0 | 0 | 0 | 0 | 115.1 | D97 | D97-S361 WeakPolarHBondContact OD1-CB 3.41Å; D97-S361 PolarHBondContact OD1-OG 3.47Å |
| 362 | N | 84.3 | Confident | 89.6 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -131.1 | 145.4 | -166.5 | -163.1 | -70 | 0 | 0 | 0 | 111.6 | R96 D97 L98 C360 H364 L365 | R96-N362 WeakPolarHBondContact O-CB 3.41Å; R96-N362 PolarHBondContact O-ND2 2.94Å; R96-N362 PolarHBondContact O-OD1 3.24Å; D97-N362 PolarHBondContact O-ND2 3.33Å; L98-N362 PolarHBondContact O-ND2 3.38Å; C360-N362 PolarHBondContact O-N 2.87Å; N362-H364 PolarHBondContact O-N 3.11Å; N362-H364 PolarHBondContact OD1-CD2 3.07Å; N362-H364 PolarHBondContact OD1-N 2.02Å; N362-L365 PolarHBondContact O-N 2.97Å |
| 363 | P | 87.7 | Confident | 89.5 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 44% | 0.442 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -15.1 | -176.7 | 28.5 | -42.3 | 0 | 0 | 0 | 114.9 | L365 R377 Y395 | P363-L365 VanDerWaalsContact C-N 3.29Å; P363-R377 WeakPolarHBondContact O-CD 3.24Å; P363-R377 WeakPolarHBondContact O-CG 2.94Å; P363-R377 PolarHBondContact O-NE 2.96Å; P363-Y395 HydrophobicContact CB-CD2 4.43Å; P363-Y395 HydrophobicContact CB-CE2 3.98Å; P363-Y395 VanDerWaalsContact O-CD2 3.27Å; P363-Y395 WeakPolarHBondContact O-CD2 3.21Å |
| 364 | H | 93.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0.6 | 174.4 | -56.3 | -65 | 0 | 0 | 0 | 113.8 | R96 R103 T187 E192 L193 N362 R377 Y395 | R96-H364 HydrophobicContact CB-CB 3.94Å; R96-H364 HydrophobicContact CG-CB 4.12Å; R103-H364 PolarHBondContact NH1-CD2 2.93Å; R103-H364 PolarHBondContact NH1-NE2 3.22Å; R103-H364 PolarHBondContact NH2-NE2 3.39Å; R103-H364 VanDerWaalsContact NH2-NE2 3.12Å; T187-H364 PolarHBondContact OG1-O 3.17Å; E192-H364 IonicContact OE2-CE1 2.81Å; L193-H364 HydrophobicContact CD1-CB 4.24Å; N362-H364 PolarHBondContact O-N 3.11Å; N362-H364 PolarHBondContact OD1-CD2 3.07Å; N362-H364 PolarHBondContact OD1-N 2.02Å; H364-R377 PolarHBondContact O-N 3.08Å; H364-Y395 AromaticContact CE1-CE2 3.88Å; H364-Y395 AromaticContact CE1-CZ 3.77Å; H364-Y395 AromaticContact ND1-CE2 3.8Å |
| 365 | L | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 146.9 | 176.8 | -63.9 | 172.6 | 0 | 0 | 0 | 111 | R96 D97 I176 P351 C360 N362 P363 C374 A375 R377 | R96-L365 HydrophobicContact CB-CD1 4.28Å; R96-L365 HydrophobicContact CB-CD2 4.01Å; R96-L365 HydrophobicContact CB-CG 3.94Å; D97-L365 HydrophobicContact CB-CD1 4.43Å; I176-L365 HydrophobicContact CD1-CD2 4.48Å; I176-L365 HydrophobicContact CG2-CD2 4.49Å; P351-L365 HydrophobicContact CB-CD1 3.8Å; P351-L365 HydrophobicContact CG-CD1 3.68Å; C360-L365 HydrophobicContact CB-CB 3.75Å; N362-L365 PolarHBondContact O-N 2.97Å; P363-L365 VanDerWaalsContact C-N 3.29Å; L365-C374 HydrophobicContact CB-CB 4.25Å; L365-C374 HydrophobicContact CD1-CB 4.38Å; L365-C374 HydrophobicContact CD2-CB 4.48Å; L365-A375 CarbonylContact C-O 3.36Å; L365-A375 VanDerWaalsContact CA-O 3.28Å; L365-A375 WeakPolarHBondContact CA-O 3.46Å; L365-R377 VanDerWaalsContact C-CG 3.44Å; L365-R377 PolarHBondContact O-NE 3.29Å |
| 366 | S | 91.3 | Very high | 89.5 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 141.6 | 172.8 | 53.9 | 0 | 0 | 0 | 0 | 110.3 | C360 N368 A375 E391 | C360-S366 VanDerWaalsContact SG-C 3.54Å; S366-N368 PolarHBondContact O-N 2.75Å; S366-A375 PolarHBondContact N-O 3.36Å; S366-A375 PolarHBondContact O-N 2.89Å; S366-E391 WeakPolarHBondContact CA-OE2 2.96Å |
| 367 | C | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 120.3 | 178 | -179.1 | 0 | 0 | 0 | 0 | 113.3 | C353 P358 C360 V369 E391 | C353-C367 HydrophobicContact CB-CB 3.66Å; C353-C367 WeakPolarHBondContact CB-SG 3.35Å; C353-C367 WeakPolarHBondContact SG-CA 3.03Å; C353-C367 WeakPolarHBondContact SG-CB 3.23Å; C353-C367 CovalentContact SG-SG 2.02Å; C353-C367 PolarHBondContact SG-SG 3.3Å; P358-C367 WeakPolarHBondContact O-CB 3.41Å; C360-C367 VanDerWaalsContact SG-CA 3.56Å; C360-C367 PolarHBondContact SG-N 2.73Å; C360-C367 VanDerWaalsContact SG-N 3.38Å; C367-V369 WeakPolarHBondContact SG-CG2 3.45Å; C367-E391 HydrophobicContact CB-CG 4.4Å; C367-E391 PolarHBondContact N-OE2 2.02Å |
| 368 | N | 88.7 | Confident | 89.7 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 93.8 | 161.5 | -174.7 | -33.6 | 0 | 0 | 0 | 108.8 | S366 E370 L371 K372 R373 A375 | S366-N368 PolarHBondContact O-N 2.75Å; N368-E370 VanDerWaalsContact C-N 3.3Å; N368-E370 PolarHBondContact O-N 3.31Å; N368-E370 WeakPolarHBondContact OD1-CB 3.24Å; N368-E370 PolarHBondContact OD1-N 3.26Å; N368-L371 HydrophobicContact CB-CB 4.42Å; N368-L371 WeakPolarHBondContact ND2-CD1 3.29Å; N368-L371 PolarHBondContact O-N 3.26Å; N368-L371 PolarHBondContact OD1-N 2.73Å; N368-K372 PolarHBondContact O-N 3.14Å; N368-R373 WeakPolarHBondContact CA-O 3.49Å; N368-R373 PolarHBondContact N-O 3.21Å; N368-R373 PolarHBondContact O-N 2.99Å; N368-A375 HydrophobicContact CB-CB 4.4Å |
| 369 | V | 87.6 | Confident | 89.8 | Confident | 14 Ų | 14 | 38.5 Ų | 38.5 | 9% | 0.085 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -34.5 | -177.1 | 177.2 | 0 | 0 | 0 | 0 | 112.5 | T355 P358 C367 L371 K372 Y389 | T355-V369 HydrophobicContact CG2-CG1 3.35Å; P358-V369 HydrophobicContact CB-CG2 4.1Å; C367-V369 WeakPolarHBondContact SG-CG2 3.45Å; V369-L371 VanDerWaalsContact C-N 3.27Å; V369-L371 PolarHBondContact O-N 3.45Å; V369-K372 PolarHBondContact O-N 3.47Å; V369-Y389 WeakPolarHBondContact CG2-O 3.49Å |
| 370 | E | 84.9 | Confident | 89.7 | Confident | 123 Ų | 123 | 38 Ų | 38 | 58% | 0.575 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -40.3 | 178.7 | -66.2 | 171.3 | -163.3 | 0 | 0 | 110.7 | N368 K385 H387 | N368-E370 VanDerWaalsContact C-N 3.3Å; N368-E370 PolarHBondContact O-N 3.31Å; N368-E370 WeakPolarHBondContact OD1-CB 3.24Å; N368-E370 PolarHBondContact OD1-N 3.26Å; E370-K385 IonicContact OE1-NZ 3.83Å; E370-K385 IonicContact OE2-NZ 2.95Å; E370-H387 IonicContact OE1-ND1 2.73Å |
| 371 | L | 85 | Confident | 89.7 | Confident | 70 Ų | 70 | 47.5 Ų | 47.5 | 37% | 0.366 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1.2 | 179.4 | -60.5 | -178.9 | 0 | 0 | 0 | 113.8 | N368 V369 R373 | N368-L371 HydrophobicContact CB-CB 4.42Å; N368-L371 WeakPolarHBondContact ND2-CD1 3.29Å; N368-L371 PolarHBondContact O-N 3.26Å; N368-L371 PolarHBondContact OD1-N 2.73Å; V369-L371 VanDerWaalsContact C-N 3.27Å; V369-L371 PolarHBondContact O-N 3.45Å; L371-R373 HydrophobicContact CB-CG 3.83Å; L371-R373 PolarHBondContact O-N 2.96Å |
| 372 | K | 89.6 | Confident | 90.2 | Very high | 149 Ų | 149 | 43.2 Ų | 43.2 | 65% | 0.648 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38.4 | -175.7 | -58.2 | 177.5 | -177.2 | 172.3 | 0 | 113.8 | C353 N368 V369 | C353-K372 CarbonylContact O-C 2.89Å; C353-K372 WeakPolarHBondContact O-CA 3.39Å; N368-K372 PolarHBondContact O-N 3.14Å; V369-K372 PolarHBondContact O-N 3.47Å |
| 373 | R | 89.7 | Confident | 90.6 | Very high | 33 Ų | 33 | 48.7 Ų | 48.7 | 13% | 0.125 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 160.3 | 179.5 | 62.2 | 171.5 | 153.8 | -133.6 | -38.4 | 112.7 | D234 C353 N368 L371 | D234-R373 IonicContact OD1-CZ 3.45Å; D234-R373 IonicContact OD1-NH1 2.84Å; D234-R373 PolarHBondContact OD1-NH1 3.18Å; D234-R373 IonicContact OD2-CZ 3.18Å; D234-R373 IonicContact OD2-NH1 2.69Å; D234-R373 PolarHBondContact OD2-NH1 3Å; D234-R373 VanDerWaalsContact OD2-NH1 3.08Å; D234-R373 IonicContact OD2-NH2 3.08Å; D234-R373 PolarHBondContact OD2-NH2 3.42Å; C353-R373 PolarHBondContact SG-O 3.25Å; N368-R373 WeakPolarHBondContact CA-O 3.49Å; N368-R373 PolarHBondContact N-O 3.21Å; N368-R373 PolarHBondContact O-N 2.99Å; L371-R373 HydrophobicContact CB-CG 3.83Å; L371-R373 PolarHBondContact O-N 2.96Å |
| 374 | C | 92.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 141.6 | 167.1 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | P351 C360 L365 | P351-C374 HydrophobicContact CB-CB 3.71Å; P351-C374 VanDerWaalsContact O-CB 3.23Å; P351-C374 WeakPolarHBondContact O-CB 3.29Å; P351-C374 PolarHBondContact O-N 3.25Å; P351-C374 PolarHBondContact O-SG 3.24Å; C360-C374 HydrophobicContact CB-CB 3.99Å; C360-C374 WeakPolarHBondContact CB-SG 3.44Å; C360-C374 WeakPolarHBondContact SG-CA 3.08Å; C360-C374 WeakPolarHBondContact SG-CB 3.33Å; C360-C374 CovalentContact SG-SG 2.02Å; C360-C374 PolarHBondContact SG-SG 3.07Å; L365-C374 HydrophobicContact CB-CB 4.25Å; L365-C374 HydrophobicContact CD1-CB 4.38Å; L365-C374 HydrophobicContact CD2-CB 4.48Å |
| 375 | A | 90.1 | Very high | 90.5 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 24% | 0.24 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 155.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L365 S366 N368 R377 | L365-A375 CarbonylContact C-O 3.36Å; L365-A375 VanDerWaalsContact CA-O 3.28Å; L365-A375 WeakPolarHBondContact CA-O 3.46Å; S366-A375 PolarHBondContact N-O 3.36Å; S366-A375 PolarHBondContact O-N 2.89Å; N368-A375 HydrophobicContact CB-CB 4.4Å; A375-R377 PolarHBondContact O-N 3.48Å |
| 376 | G | 91.2 | Very high | 89.9 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 132.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 377 | R | 92.9 | Very high | 89.1 | Confident | 45 Ų | 45 | 60 Ų | 60 | 17% | 0.17 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 153.3 | 170.6 | -70.5 | -150.8 | -164.1 | 175.7 | -1.8 | 110.7 | T187 P363 H364 L365 A375 P393 | T187-R377 WeakPolarHBondContact CB-O 3.24Å; T187-R377 HydrophobicContact CG2-CB 4.1Å; T187-R377 WeakPolarHBondContact CG2-O 3.29Å; T187-R377 PolarHBondContact N-O 3.02Å; T187-R377 PolarHBondContact OG1-O 3.01Å; P363-R377 WeakPolarHBondContact O-CD 3.24Å; P363-R377 WeakPolarHBondContact O-CG 2.94Å; P363-R377 PolarHBondContact O-NE 2.96Å; H364-R377 PolarHBondContact O-N 3.08Å; L365-R377 VanDerWaalsContact C-CG 3.44Å; L365-R377 PolarHBondContact O-NE 3.29Å; A375-R377 PolarHBondContact O-N 3.48Å; R377-P393 CarbonylContact C-O 3.54Å; R377-P393 WeakPolarHBondContact CA-O 3.24Å; R377-P393 WeakPolarHBondContact CB-O 3.28Å |
| 378 | L | 93.3 | Very high | 88.3 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -97.2 | 138 | -172.9 | -57.4 | 172.2 | 0 | 0 | 0 | 111.5 | L180 D185 A382 K383 C384 P393 C394 Y395 | L180-L378 HydrophobicContact CD2-CD2 3.9Å; D185-L378 HydrophobicContact CB-CD2 4.15Å; D185-L378 CarbonylContact O-C 3.59Å; D185-L378 WeakPolarHBondContact O-CA 3.33Å; L378-A382 HydrophobicContact CB-CB 3.89Å; L378-K383 VanDerWaalsContact CD1-O 3.27Å; L378-K383 WeakPolarHBondContact CD1-O 3.34Å; L378-C384 HydrophobicContact CD1-CB 3.72Å; L378-P393 HydrophobicContact CD1-CB 4.25Å; L378-P393 PolarHBondContact N-O 3.14Å; L378-C394 CarbonylContact O-C 3.6Å; L378-C394 WeakPolarHBondContact O-CA 3.48Å; L378-Y395 PolarHBondContact O-N 3.47Å |
| 379 | V | 92.5 | Very high | 87.8 | Confident | 32 Ų | 32 | 73.6 Ų | 73.6 | 19% | 0.194 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 161.9 | 176.1 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | S184 D185 T187 R381 A382 C404 | S184-V379 WeakPolarHBondContact O-CG2 3.18Å; D185-V379 PolarHBondContact O-N 3.4Å; T187-V379 HydrophobicContact CG2-CG1 4.24Å; V379-R381 PolarHBondContact O-N 2.63Å; V379-A382 HydrophobicContact CG2-CB 4.49Å; V379-A382 WeakPolarHBondContact O-CB 3.47Å; V379-A382 PolarHBondContact O-N 2.8Å; V379-C404 WeakPolarHBondContact O-CB 3.33Å |
| 380 | P | 91.7 | Very high | 87.5 | Confident | 58 Ų | 58 | 74.1 Ų | 74.1 | 38% | 0.377 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 142.5 | 174.2 | -27.7 | 35.7 | 0 | 0 | 0 | 112.7 | A382 | P380-A382 PolarHBondContact O-N 3.36Š|
| 381 | R | 91.1 | Very high | 87.6 | Confident | 215 Ų | 215 | 70 Ų | 70 | 81% | 0.811 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | -5.4 | -175.7 | -51.3 | 174.7 | 178.6 | 163.9 | -1.3 | 116.1 | V379 C404 | V379-R381 PolarHBondContact O-N 2.63Å; R381-C404 PolarHBondContact N-O 3.31Å |
| 382 | A | 92.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 69 Ų | 69 | 2% | 0.017 | 32% | 0.319 | C | S | . | . | trans | -62.2 | 149.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D185 L378 V379 P380 I403 C404 | D185-A382 HydrophobicContact CB-CB 3.74Å; D185-A382 WeakPolarHBondContact OD1-CB 3.04Å; L378-A382 HydrophobicContact CB-CB 3.89Å; V379-A382 HydrophobicContact CG2-CB 4.49Å; V379-A382 WeakPolarHBondContact O-CB 3.47Å; V379-A382 PolarHBondContact O-N 2.8Å; P380-A382 PolarHBondContact O-N 3.36Å; A382-I403 WeakPolarHBondContact O-CA 3.4Å; A382-C404 PolarHBondContact O-N 3.35Å | ||
| 383 | K | 92.2 | Very high | 88 | Confident | 128 Ų | 128 | 62.2 Ų | 62.2 | 56% | 0.557 | 29% | 0.29 | S | S | * | . | B | Isolated β-bridge | trans | -68.2 | 137.9 | 168.8 | -65.9 | -179 | -170.1 | 167.4 | 0 | 109.4 | E181 L378 N402 | E181-K383 IonicContact OE2-NZ 2.63Å; E181-K383 PolarHBondContact OE2-NZ 2.48Å; L378-K383 VanDerWaalsContact CD1-O 3.27Å; L378-K383 WeakPolarHBondContact CD1-O 3.34Å; K383-N402 CarbonylContact C-O 3.55Å; K383-N402 WeakPolarHBondContact CA-O 3.48Å |
| 384 | C | 91.2 | Very high | 88.1 | Confident | 10 Ų | 10 | 60.7 Ų | 60.7 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | trans | -138.6 | 158.1 | -178.3 | 64.1 | 0 | 0 | 0 | 0 | 111.5 | L378 P393 C399 N402 I403 | L378-C384 HydrophobicContact CD1-CB 3.72Å; C384-P393 HydrophobicContact CB-CG 4.17Å; C384-C399 VanDerWaalsContact C-SG 3.54Å; C384-C399 HydrophobicContact CB-CB 3.85Å; C384-C399 WeakPolarHBondContact CB-SG 3.5Å; C384-C399 WeakPolarHBondContact SG-CA 3.26Å; C384-C399 WeakPolarHBondContact SG-CB 3.46Å; C384-C399 CovalentContact SG-SG 2.02Å; C384-C399 PolarHBondContact SG-SG 3.19Å; C384-N402 PolarHBondContact N-O 3.22Å; C384-N402 CarbonylContact O-C 3.54Å; C384-N402 WeakPolarHBondContact O-CA 3.42Å; C384-N402 WeakPolarHBondContact O-CB 3.29Å; C384-I403 PolarHBondContact SG-N 2.95Å | ||
| 385 | K | 88 | Confident | 88.2 | Confident | 120 Ų | 120 | 62.1 Ų | 62.1 | 52% | 0.522 | 29% | 0.29 | S | S | . | . | trans | -126.7 | 123.6 | 172.2 | -177.3 | -175.1 | 176.5 | -164.1 | 0 | 108.3 | E370 H387 | E370-K385 IonicContact OE1-NZ 3.83Å; E370-K385 IonicContact OE2-NZ 2.95Å; K385-H387 PolarHBondContact O-N 2.74Å | ||
| 386 | R | 79.7 | Confident | 88.2 | Confident | 144 Ų | 144 | 65.9 Ų | 65.9 | 54% | 0.543 | 31% | 0.306 | S | S | . | . | trans | -70.2 | 128.7 | 172 | -80.6 | -172.2 | 165.5 | 176.1 | -1.3 | 109.9 | E392 C399 | R386-E392 IonicContact NH2-OE2 3.78Å; R386-C399 HydrophobicContact CG-CB 3.91Å; R386-C399 PolarHBondContact NE-O 3.04Å; R386-C399 PolarHBondContact NH2-O 3.25Å | ||
| 387 | H | 74.4 | Confident | 88.3 | Confident | 37 Ų | 37 | 65.9 Ų | 65.9 | 17% | 0.171 | 30% | 0.304 | C | S | . | . | trans | -92 | 139.6 | 173.2 | -60.4 | -66.1 | 0 | 0 | 0 | 109.8 | E370 K385 Y389 G390 | E370-H387 IonicContact OE1-ND1 2.73Å; K385-H387 PolarHBondContact O-N 2.74Å; H387-Y389 PolarHBondContact O-N 3.42Å; H387-Y389 VanDerWaalsContact O-N 3.14Å; H387-G390 PolarHBondContact O-N 2.91Å | ||
| 388 | L | 75.5 | Confident | 88.3 | Confident | 150 Ų | 150 | 69.3 Ų | 69.3 | 79% | 0.785 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -29 | -174.5 | -150.3 | 84.5 | 0 | 0 | 0 | 113.4 | ||
| 389 | Y | 79.5 | Confident | 88.3 | Confident | 156 Ų | 156 | 68.5 Ų | 68.5 | 61% | 0.612 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.9 | 9.8 | -176.2 | -59.9 | -70.2 | 0 | 0 | 0 | 113.1 | P358 V369 H387 | P358-Y389 WeakPolarHBondContact CB-O 3.32Å; V369-Y389 WeakPolarHBondContact CG2-O 3.49Å; H387-Y389 PolarHBondContact O-N 3.42Å; H387-Y389 VanDerWaalsContact O-N 3.14Å |
| 390 | G | 80.7 | Confident | 88.3 | Confident | 25 Ų | 25 | 69.5 Ų | 69.5 | 26% | 0.258 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -97.1 | 172 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H387 | H387-G390 PolarHBondContact O-N 2.91Š|
| 391 | E | 87.6 | Confident | 88.3 | Confident | 36 Ų | 36 | 74.4 Ų | 74.4 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 163.2 | 168.7 | -71.9 | 173.4 | 128 | 0 | 0 | 111.2 | P358 T359 C360 S366 C367 P393 | P358-E391 WeakPolarHBondContact O-CG 3.42Å; T359-E391 VanDerWaalsContact CA-CD 3.48Å; T359-E391 WeakPolarHBondContact CB-OE1 3.12Å; T359-E391 HydrophobicContact CG2-CG 4.16Å; C360-E391 PolarHBondContact N-OE1 2.95Å; C360-E391 PolarHBondContact N-OE2 3.3Å; S366-E391 WeakPolarHBondContact CA-OE2 2.96Å; C367-E391 HydrophobicContact CB-CG 4.4Å; C367-E391 PolarHBondContact N-OE2 2.02Å; E391-P393 VanDerWaalsContact O-CD 3.24Å; E391-P393 WeakPolarHBondContact O-CD 3.44Å; E391-P393 VanDerWaalsContact O-N 3.15Å |
| 392 | E | 90.9 | Very high | 88.4 | Confident | 50 Ų | 50 | 69.3 Ų | 69.3 | 23% | 0.234 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 116.2 | 165.8 | 175.8 | 54.3 | -105.7 | 0 | 0 | 109.3 | R386 C394 R398 C399 | R386-E392 IonicContact NH2-OE2 3.78Å; E392-C394 HydrophobicContact CG-CB 4.32Å; E392-C394 PolarHBondContact O-N 3.01Å; E392-C394 VanDerWaalsContact OE1-CB 3.28Å; E392-C394 WeakPolarHBondContact OE1-CB 3.46Å; E392-C394 PolarHBondContact OE1-N 3.1Å; E392-C394 VanDerWaalsContact OE1-N 3.09Å; E392-C394 PolarHBondContact OE1-SG 2.8Å; E392-C394 VanDerWaalsContact OE1-SG 3.37Å; E392-R398 WeakPolarHBondContact OE2-CA 2.99Å; E392-C399 VanDerWaalsContact CD-N 3.27Å; E392-C399 VanDerWaalsContact OE1-CB 3.28Å; E392-C399 WeakPolarHBondContact OE1-CB 3.15Å; E392-C399 PolarHBondContact OE1-N 3.26Å; E392-C399 PolarHBondContact OE2-N 3.24Å; E392-C399 VanDerWaalsContact OE2-N 3.1Å |
| 393 | P | 91 | Very high | 88.5 | Confident | 7 Ų | 7 | 73.1 Ų | 73.1 | 5% | 0.045 | 35% | 0.349 | C | S | . | . | trans | -70.5 | -18.9 | -178.8 | 29.3 | -38.4 | 0 | 0 | 0 | 112.7 | R377 L378 C384 E391 C399 | R377-P393 CarbonylContact C-O 3.54Å; R377-P393 WeakPolarHBondContact CA-O 3.24Å; R377-P393 WeakPolarHBondContact CB-O 3.28Å; L378-P393 HydrophobicContact CD1-CB 4.25Å; L378-P393 PolarHBondContact N-O 3.14Å; C384-P393 HydrophobicContact CB-CG 4.17Å; E391-P393 VanDerWaalsContact O-CD 3.24Å; E391-P393 WeakPolarHBondContact O-CD 3.44Å; E391-P393 VanDerWaalsContact O-N 3.15Å; P393-C399 HydrophobicContact CG-CB 4.04Å | ||
| 394 | C | 93.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -87.1 | 143.4 | -177 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | L378 E392 S397 C399 C404 | L378-C394 CarbonylContact O-C 3.6Å; L378-C394 WeakPolarHBondContact O-CA 3.48Å; E392-C394 HydrophobicContact CG-CB 4.32Å; E392-C394 PolarHBondContact O-N 3.01Å; E392-C394 VanDerWaalsContact OE1-CB 3.28Å; E392-C394 WeakPolarHBondContact OE1-CB 3.46Å; E392-C394 PolarHBondContact OE1-N 3.1Å; E392-C394 VanDerWaalsContact OE1-N 3.09Å; E392-C394 PolarHBondContact OE1-SG 2.8Å; E392-C394 VanDerWaalsContact OE1-SG 3.37Å; C394-S397 WeakPolarHBondContact CB-O 2.95Å; C394-S397 WeakPolarHBondContact CB-OG 3.38Å; C394-C399 PolarHBondContact SG-N 3.03Å; C394-C399 VanDerWaalsContact SG-N 3.45Å; C394-C404 HydrophobicContact CB-CB 3.68Å; C394-C404 WeakPolarHBondContact CB-SG 3.2Å; C394-C404 WeakPolarHBondContact SG-CA 3.08Å; C394-C404 WeakPolarHBondContact SG-CB 3.33Å; C394-C404 CovalentContact SG-SG 2.03Å; C394-C404 PolarHBondContact SG-SG 3.09Å |
| 395 | Y | 92.7 | Very high | 88.7 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 13% | 0.125 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -97.9 | 129 | 176.2 | -179.4 | -106.3 | 0 | 0 | 0 | 110.1 | T187 E192 P363 H364 L378 S397 | T187-Y395 VanDerWaalsContact CG2-CB 3.41Å; T187-Y395 HydrophobicContact CG2-CD1 3.83Å; T187-Y395 HydrophobicContact CG2-CD2 4.29Å; T187-Y395 HydrophobicContact CG2-CG 3.59Å; E192-Y395 PolarHBondContact OE2-OH 3.29Å; E192-Y395 VanDerWaalsContact OE2-OH 3.08Å; P363-Y395 HydrophobicContact CB-CD2 4.43Å; P363-Y395 HydrophobicContact CB-CE2 3.98Å; P363-Y395 VanDerWaalsContact O-CD2 3.27Å; P363-Y395 WeakPolarHBondContact O-CD2 3.21Å; H364-Y395 AromaticContact CE1-CE2 3.88Å; H364-Y395 AromaticContact CE1-CZ 3.77Å; H364-Y395 AromaticContact ND1-CE2 3.8Å; L378-Y395 PolarHBondContact O-N 3.47Å; Y395-S397 PolarHBondContact O-N 2.91Å; Y395-S397 PolarHBondContact O-OG 3.38Å |
| 396 | N | 90.8 | Very high | 88.7 | Confident | 108 Ų | 108 | 64.1 Ų | 64.1 | 58% | 0.578 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 47.7 | 30.3 | -175.5 | -64.2 | -19.1 | 0 | 0 | 0 | 113.9 | ||
| 397 | S | 93.1 | Very high | 88.5 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 170.4 | -175.4 | 48.7 | 0 | 0 | 0 | 0 | 109.4 | C394 Y395 V405 | C394-S397 WeakPolarHBondContact CB-O 2.95Å; C394-S397 WeakPolarHBondContact CB-OG 3.38Å; Y395-S397 PolarHBondContact O-N 2.91Å; Y395-S397 PolarHBondContact O-OG 3.38Å; S397-V405 CarbonylContact C-O 3.38Å; S397-V405 VanDerWaalsContact CA-O 3.3Å; S397-V405 WeakPolarHBondContact CA-O 3.29Å; S397-V405 VanDerWaalsContact CB-C 3.49Å; S397-V405 WeakPolarHBondContact CB-O 3.38Å |
| 398 | R | 92.8 | Very high | 88.2 | Confident | 118 Ų | 118 | 68 Ų | 68 | 45% | 0.445 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.6 | 178 | -64.8 | -174.1 | -174 | -160.4 | -0.2 | 111.5 | E392 L400 V405 E407 L410 | E392-R398 WeakPolarHBondContact OE2-CA 2.99Å; R398-L400 HydrophobicContact CB-CG 4.42Å; R398-L400 PolarHBondContact O-N 3.25Å; R398-L400 VanDerWaalsContact O-N 3.14Å; R398-V405 PolarHBondContact N-O 3.08Å; R398-V405 PolarHBondContact O-N 3.32Å; R398-E407 HydrophobicContact CG-CG 4.34Å; R398-E407 IonicContact CZ-OE1 3.98Å; R398-E407 IonicContact NE-OE1 3.39Å; R398-E407 PolarHBondContact NE-OE1 3.07Å; R398-E407 IonicContact NH2-OE1 2.75Å; R398-E407 PolarHBondContact NH2-OE1 3.14Å; R398-L410 HydrophobicContact CB-CD1 4.47Å; R398-L410 HydrophobicContact CG-CD1 4.44Å |
| 399 | C | 93 | Very high | 87.4 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.02 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 106 | 174.2 | -171.7 | 0 | 0 | 0 | 0 | 110.3 | C384 R386 E392 P393 C394 | C384-C399 VanDerWaalsContact C-SG 3.54Å; C384-C399 HydrophobicContact CB-CB 3.85Å; C384-C399 WeakPolarHBondContact CB-SG 3.5Å; C384-C399 WeakPolarHBondContact SG-CA 3.26Å; C384-C399 WeakPolarHBondContact SG-CB 3.46Å; C384-C399 CovalentContact SG-SG 2.02Å; C384-C399 PolarHBondContact SG-SG 3.19Å; R386-C399 HydrophobicContact CG-CB 3.91Å; R386-C399 PolarHBondContact NE-O 3.04Å; R386-C399 PolarHBondContact NH2-O 3.25Å; E392-C399 VanDerWaalsContact CD-N 3.27Å; E392-C399 VanDerWaalsContact OE1-CB 3.28Å; E392-C399 WeakPolarHBondContact OE1-CB 3.15Å; E392-C399 PolarHBondContact OE1-N 3.26Å; E392-C399 PolarHBondContact OE2-N 3.24Å; E392-C399 VanDerWaalsContact OE2-N 3.1Å; P393-C399 HydrophobicContact CG-CB 4.04Å; C394-C399 PolarHBondContact SG-N 3.03Å; C394-C399 VanDerWaalsContact SG-N 3.45Å |
| 400 | L | 93.1 | Very high | 86.2 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.9 | 177.1 | -62.1 | 178.9 | 0 | 0 | 0 | 109.5 | R398 N402 I403 V405 L410 | R398-L400 HydrophobicContact CB-CG 4.42Å; R398-L400 PolarHBondContact O-N 3.25Å; R398-L400 VanDerWaalsContact O-N 3.14Å; L400-N402 PolarHBondContact O-N 3.06Å; L400-N402 VanDerWaalsContact O-N 3.11Å; L400-I403 PolarHBondContact N-O 3.22Å; L400-I403 PolarHBondContact O-N 3.06Å; L400-V405 HydrophobicContact CB-CG2 4.07Å; L400-V405 HydrophobicContact CD1-CB 4.26Å; L400-V405 HydrophobicContact CD1-CG2 4.48Å; L400-L410 HydrophobicContact CD1-CD1 4.17Å; L400-L410 HydrophobicContact CD1-CD2 3.29Å; L400-L410 HydrophobicContact CD1-CG 4.38Å |
| 401 | N | 92.5 | Very high | 84.7 | Confident | 160 Ų | 160 | 70.7 Ų | 70.7 | 86% | 0.856 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 39.2 | -177.1 | -59.4 | -27.8 | 0 | 0 | 0 | 113 | I403 | N401-I403 VanDerWaalsContact C-N 3.31Å; N401-I403 PolarHBondContact O-N 3.09Å |
| 402 | N | 93.2 | Very high | 84.5 | Confident | 109 Ų | 109 | 72.5 Ų | 72.5 | 58% | 0.583 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 22.4 | -177 | -52 | -45.4 | 0 | 0 | 0 | 116 | K383 C384 L400 | K383-N402 CarbonylContact C-O 3.55Å; K383-N402 WeakPolarHBondContact CA-O 3.48Å; C384-N402 PolarHBondContact N-O 3.22Å; C384-N402 CarbonylContact O-C 3.54Å; C384-N402 WeakPolarHBondContact O-CA 3.42Å; C384-N402 WeakPolarHBondContact O-CB 3.29Å; L400-N402 PolarHBondContact O-N 3.06Å; L400-N402 VanDerWaalsContact O-N 3.11Å |
| 403 | I | 93.8 | Very high | 84.2 | Confident | 82 Ų | 82 | 73.6 Ų | 73.6 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 141.8 | 175 | -58.7 | 176.6 | 0 | 0 | 0 | 110.1 | A382 C384 L400 N401 V405 | A382-I403 WeakPolarHBondContact O-CA 3.4Å; C384-I403 PolarHBondContact SG-N 2.95Å; L400-I403 PolarHBondContact N-O 3.22Å; L400-I403 PolarHBondContact O-N 3.06Å; N401-I403 VanDerWaalsContact C-N 3.31Å; N401-I403 PolarHBondContact O-N 3.09Å; I403-V405 PolarHBondContact O-N 3.02Å |
| 404 | C | 94.2 | Very high | 83.8 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.007 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 103 | 172.4 | -67.1 | 0 | 0 | 0 | 0 | 111.4 | V379 R381 A382 C394 | V379-C404 WeakPolarHBondContact O-CB 3.33Å; R381-C404 PolarHBondContact N-O 3.31Å; A382-C404 PolarHBondContact O-N 3.35Å; C394-C404 HydrophobicContact CB-CB 3.68Å; C394-C404 WeakPolarHBondContact CB-SG 3.2Å; C394-C404 WeakPolarHBondContact SG-CA 3.08Å; C394-C404 WeakPolarHBondContact SG-CB 3.33Å; C394-C404 CovalentContact SG-SG 2.03Å; C394-C404 PolarHBondContact SG-SG 3.09Å |
| 405 | V | 94 | Very high | 83.2 | Confident | 44 Ų | 44 | 81.8 Ų | 81.8 | 27% | 0.267 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.5 | -179.6 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | S397 R398 L400 I403 F409 L410 | S397-V405 CarbonylContact C-O 3.38Å; S397-V405 VanDerWaalsContact CA-O 3.3Å; S397-V405 WeakPolarHBondContact CA-O 3.29Å; S397-V405 VanDerWaalsContact CB-C 3.49Å; S397-V405 WeakPolarHBondContact CB-O 3.38Å; R398-V405 PolarHBondContact N-O 3.08Å; R398-V405 PolarHBondContact O-N 3.32Å; L400-V405 HydrophobicContact CB-CG2 4.07Å; L400-V405 HydrophobicContact CD1-CB 4.26Å; L400-V405 HydrophobicContact CD1-CG2 4.48Å; I403-V405 PolarHBondContact O-N 3.02Å; V405-F409 HydrophobicContact CG1-CB 4.27Å; V405-L410 HydrophobicContact CG1-CD2 3.99Å |
| 406 | A | 87.5 | Confident | 82.7 | Confident | 24 Ų | 24 | 84.9 Ų | 84.9 | 20% | 0.198 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 140.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L408 F409 | A406-L408 PolarHBondContact O-N 2.86Å; A406-L408 VanDerWaalsContact O-N 3.13Å; A406-F409 HydrophobicContact CB-CD2 4.06Å; A406-F409 HydrophobicContact CB-CE2 4.37Å; A406-F409 PolarHBondContact O-N 3.45Å |
| 407 | E | 74.9 | Confident | 82.1 | Confident | 101 Ų | 101 | 83.4 Ų | 83.4 | 47% | 0.472 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -62 | -25 | -174 | -65.9 | -167.3 | 143.6 | 0 | 0 | 113.2 | R398 F409 L410 | R398-E407 HydrophobicContact CG-CG 4.34Å; R398-E407 IonicContact CZ-OE1 3.98Å; R398-E407 IonicContact NE-OE1 3.39Å; R398-E407 PolarHBondContact NE-OE1 3.07Å; R398-E407 IonicContact NH2-OE1 2.75Å; R398-E407 PolarHBondContact NH2-OE1 3.14Å; E407-F409 PolarHBondContact O-N 3.14Å; E407-F409 VanDerWaalsContact O-N 3.15Å; E407-L410 HydrophobicContact CG-CD1 4.41Å; E407-L410 WeakPolarHBondContact O-CB 3.05Å; E407-L410 PolarHBondContact O-N 3.4Å |
| 408 | L | 69.2 | Low | 81.3 | Confident | 162 Ų | 162 | 88.9 Ų | 88.9 | 85% | 0.848 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -61.8 | -17.2 | 174.6 | -76.7 | 163.8 | 0 | 0 | 0 | 114.3 | A406 | A406-L408 PolarHBondContact O-N 2.86Å; A406-L408 VanDerWaalsContact O-N 3.13Å |
| 409 | F | 58 | Low | 80.5 | Confident | 159 Ų | 159 | 86.7 Ų | 86.7 | 70% | 0.697 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -100.1 | 5.6 | 175.5 | -62.7 | -78.5 | 0 | 0 | 0 | 113.1 | V405 A406 E407 | V405-F409 HydrophobicContact CG1-CB 4.27Å; A406-F409 HydrophobicContact CB-CD2 4.06Å; A406-F409 HydrophobicContact CB-CE2 4.37Å; A406-F409 PolarHBondContact O-N 3.45Å; E407-F409 PolarHBondContact O-N 3.14Å; E407-F409 VanDerWaalsContact O-N 3.15Å |
| 410 | L | 55 | Low | 79.4 | Confident | 81 Ų | 81 | 93.7 Ų | 93.7 | 42% | 0.424 | 52% | 0.522 | S | S | . | . | trans | -99.2 | -8.3 | 179.2 | -57 | -178.8 | 0 | 0 | 0 | 113.4 | R398 L400 V405 E407 | R398-L410 HydrophobicContact CB-CD1 4.47Å; R398-L410 HydrophobicContact CG-CD1 4.44Å; L400-L410 HydrophobicContact CD1-CD1 4.17Å; L400-L410 HydrophobicContact CD1-CD2 3.29Å; L400-L410 HydrophobicContact CD1-CG 4.38Å; V405-L410 HydrophobicContact CG1-CD2 3.99Å; E407-L410 HydrophobicContact CG-CD1 4.41Å; E407-L410 WeakPolarHBondContact O-CB 3.05Å; E407-L410 PolarHBondContact O-N 3.4Å | ||
| 411 | A | 47.5 | Very low | 78.2 | Confident | 147 Ų | 147 | 97.3 Ų | 97.3 | 100% | 1.215 | 54% | 0.544 | S | S | * | . | trans | -99.1 | 0 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 411 of 411 residues in 407.7 ms
(Link to these results)