| 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 | 84.9 | Confident | 94.8 | Very high | 193 Ų | 193 | 74.8 Ų | 74.8 | 95% | 0.951 | 36% | 0.359 | S | S | * | . | 0 | -47.1 | 0 | -83.2 | 178.3 | 179.1 | 0 | 0 | 112 | L3 K4 R5 | M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.04Å; M1-K4 PolarHBondContact O-N 2.71Å; M1-K4 VanDerWaalsContact O-N 3.13Å; M1-R5 PolarHBondContact O-N 3.18Å; M1-R5 VanDerWaalsContact O-N 3.14Å | |||
| 2 | A | 92.5 | Very high | 94.8 | Very high | 8 Ų | 8 | 73.4 Ų | 73.4 | 7% | 0.066 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -46.3 | -52 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K4 R5 I6 F31 Y60 | A2-K4 PolarHBondContact O-N 3.28Å; A2-R5 WeakPolarHBondContact O-CA 3.27Å; A2-R5 WeakPolarHBondContact O-CB 3.23Å; A2-R5 PolarHBondContact O-N 3.13Å; A2-I6 VanDerWaalsContact O-CG1 3.31Å; A2-I6 WeakPolarHBondContact O-CG1 3.18Å; A2-I6 PolarHBondContact O-N 3.47Å; A2-F31 HydrophobicContact CB-CE1 3.91Å; A2-F31 HydrophobicContact CB-CZ 4.09Å; A2-Y60 VanDerWaalsContact CA-O 3.22Å; A2-Y60 WeakPolarHBondContact CA-O 3.4Å; A2-Y60 VanDerWaalsContact CB-O 3.23Å; A2-Y60 WeakPolarHBondContact CB-O 3.2Å |
| 3 | L | 94.6 | Very high | 94.7 | Very high | 77 Ų | 77 | 68.8 Ų | 68.8 | 40% | 0.403 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.6 | -47.4 | 179.5 | -174.3 | 62.8 | 0 | 0 | 0 | 113.6 | M1 R5 I6 Q7 L30 F31 | M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.04Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 2.86Å; L3-I6 PolarHBondContact O-N 2.87Å; L3-Q7 HydrophobicContact CD1-CG 4.38Å; L3-Q7 WeakPolarHBondContact O-CB 3.41Å; L3-Q7 WeakPolarHBondContact O-CG 3.34Å; L3-Q7 PolarHBondContact O-N 2.86Å; L3-L30 HydrophobicContact CD1-CB 3.94Å; L3-L30 HydrophobicContact CD1-CD1 3.54Å; L3-L30 HydrophobicContact CD1-CG 4.39Å; L3-F31 HydrophobicContact CB-CZ 4.5Å; L3-F31 HydrophobicContact CD1-CE2 4.16Å |
| 4 | K | 95.7 | Very high | 94.5 | Very high | 169 Ų | 169 | 73.9 Ų | 73.9 | 74% | 0.735 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.7 | -38.6 | 177.3 | -69.7 | -173 | 177.2 | -175.9 | 0 | 111.5 | M1 A2 K8 | M1-K4 PolarHBondContact O-N 2.71Å; M1-K4 VanDerWaalsContact O-N 3.13Å; A2-K4 PolarHBondContact O-N 3.28Å; K4-K8 WeakPolarHBondContact O-CB 3.46Å; K4-K8 PolarHBondContact O-N 3.14Å; K4-K8 VanDerWaalsContact O-N 3.07Å |
| 5 | R | 96.4 | Very high | 94.4 | Very high | 61 Ų | 61 | 82.5 Ų | 82.5 | 23% | 0.23 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.3 | -46.3 | 177.2 | 173.7 | 61.9 | -173.9 | -94.8 | -15.1 | 111.4 | M1 A2 L3 K8 E9 Y60 P61 P95 L97 | M1-R5 PolarHBondContact O-N 3.18Å; M1-R5 VanDerWaalsContact O-N 3.14Å; A2-R5 WeakPolarHBondContact O-CA 3.27Å; A2-R5 WeakPolarHBondContact O-CB 3.23Å; A2-R5 PolarHBondContact O-N 3.13Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 2.86Å; R5-K8 PolarHBondContact O-N 3.25Å; R5-E9 IonicContact CZ-OE1 2.69Å; R5-E9 IonicContact NE-OE1 3.88Å; R5-E9 PolarHBondContact NE-OE1 3.1Å; R5-E9 IonicContact NH2-OE1 3.82Å; R5-E9 PolarHBondContact NH2-OE1 3.38Å; R5-E9 PolarHBondContact O-N 2.83Å; R5-Y60 HydrophobicContact CG-CD1 3.99Å; R5-Y60 HydrophobicContact CG-CE1 3.69Å; R5-P61 HydrophobicContact CG-CB 4.37Å; R5-P61 HydrophobicContact CG-CG 4.15Å; R5-P95 PolarHBondContact NH1-O 2.9Å; R5-P95 PolarHBondContact NH2-O 3Å; R5-L97 PolarHBondContact NH2-O 3.12Å |
| 6 | I | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 178 | -68.8 | 167.4 | 0 | 0 | 0 | 110.7 | A2 L3 K8 E9 L10 L30 F31 W33 F56 Y60 | A2-I6 VanDerWaalsContact O-CG1 3.31Å; A2-I6 WeakPolarHBondContact O-CG1 3.18Å; A2-I6 PolarHBondContact O-N 3.47Å; L3-I6 PolarHBondContact O-N 2.87Å; I6-K8 VanDerWaalsContact C-N 3.33Å; I6-K8 PolarHBondContact O-N 2.85Å; I6-E9 PolarHBondContact O-N 2.91Å; I6-L10 PolarHBondContact O-N 3.43Å; I6-L30 HydrophobicContact CG2-CB 4.42Å; I6-L30 VanDerWaalsContact CG2-O 3.26Å; I6-L30 WeakPolarHBondContact CG2-O 3.22Å; I6-F31 HydrophobicContact CD1-CD1 3.73Å; I6-F31 HydrophobicContact CD1-CE1 3.65Å; I6-F31 HydrophobicContact CD1-CG 4.2Å; I6-F31 HydrophobicContact CD1-CZ 4.07Å; I6-W33 HydrophobicContact CG2-CH2 4.49Å; I6-W33 HydrophobicContact CG2-CZ2 3.5Å; I6-F56 HydrophobicContact CD1-CB 3.69Å; I6-F56 HydrophobicContact CD1-CD1 4.19Å; I6-F56 HydrophobicContact CD1-CD2 4.14Å; I6-F56 HydrophobicContact CD1-CG 3.74Å; I6-F56 HydrophobicContact CG1-CB 4.47Å; I6-F56 HydrophobicContact CG1-CD1 4.03Å; I6-F56 HydrophobicContact CG1-CD2 4.45Å; I6-F56 HydrophobicContact CG1-CE1 4.4Å; I6-F56 HydrophobicContact CG1-CG 4.06Å; I6-Y60 HydrophobicContact CD1-CD1 4.39Å; I6-Y60 HydrophobicContact CG1-CD1 3.79Å; I6-Y60 HydrophobicContact CG1-CE1 4.15Å |
| 7 | Q | 96.3 | Very high | 93.8 | Very high | 87 Ų | 87 | 84 Ų | 84 | 41% | 0.407 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 176.7 | -74.8 | 175.5 | -34.6 | 0 | 0 | 111.9 | L3 L10 T11 L30 | L3-Q7 HydrophobicContact CD1-CG 4.38Å; L3-Q7 WeakPolarHBondContact O-CB 3.41Å; L3-Q7 WeakPolarHBondContact O-CG 3.34Å; L3-Q7 PolarHBondContact O-N 2.86Å; Q7-L10 WeakPolarHBondContact O-CB 3.47Å; Q7-L10 PolarHBondContact O-N 3.25Å; Q7-T11 PolarHBondContact O-N 2.82Å; Q7-T11 PolarHBondContact O-OG1 3.4Å; Q7-L30 HydrophobicContact CG-CD1 4Å |
| 8 | K | 96.3 | Very high | 93.5 | Very high | 118 Ų | 118 | 79.9 Ų | 79.9 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 174.9 | 172.9 | 163.9 | 174.4 | 40.1 | 0 | 111.7 | K4 R5 I6 L10 T11 D12 | K4-K8 WeakPolarHBondContact O-CB 3.46Å; K4-K8 PolarHBondContact O-N 3.14Å; K4-K8 VanDerWaalsContact O-N 3.07Å; R5-K8 PolarHBondContact O-N 3.25Å; I6-K8 VanDerWaalsContact C-N 3.33Å; I6-K8 PolarHBondContact O-N 2.85Å; K8-L10 VanDerWaalsContact C-N 3.29Å; K8-L10 PolarHBondContact O-N 3.28Å; K8-T11 PolarHBondContact O-N 3.04Å; K8-D12 WeakPolarHBondContact CG-OD2 3.31Å; K8-D12 IonicContact NZ-OD1 3.21Å; K8-D12 PolarHBondContact NZ-OD1 3.07Å; K8-D12 IonicContact NZ-OD2 2.84Å; K8-D12 PolarHBondContact NZ-OD2 3.34Å; K8-D12 WeakPolarHBondContact O-CB 3.43Å; K8-D12 PolarHBondContact O-N 3.36Å |
| 9 | E | 96.7 | Very high | 93.2 | Very high | 5 Ų | 5 | 79.8 Ų | 79.8 | 2% | 0.023 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 177.6 | -73.3 | -168.4 | -131.9 | 0 | 0 | 112.7 | R5 I6 D12 L13 W33 Y60 T98 V99 | R5-E9 IonicContact CZ-OE1 2.69Å; R5-E9 IonicContact NE-OE1 3.88Å; R5-E9 PolarHBondContact NE-OE1 3.1Å; R5-E9 IonicContact NH2-OE1 3.82Å; R5-E9 PolarHBondContact NH2-OE1 3.38Å; R5-E9 PolarHBondContact O-N 2.83Å; I6-E9 PolarHBondContact O-N 2.91Å; E9-D12 PolarHBondContact O-N 2.88Å; E9-L13 WeakPolarHBondContact O-CB 3.37Å; E9-L13 WeakPolarHBondContact O-CG 3.39Å; E9-L13 PolarHBondContact O-N 3.16Å; E9-W33 HydrophobicContact CB-CH2 4.29Å; E9-Y60 WeakPolarHBondContact OE1-CE1 3.42Å; E9-Y60 PolarHBondContact OE1-OH 3.5Å; E9-Y60 PolarHBondContact OE2-OH 2.95Å; E9-T98 HydrophobicContact CG-CG2 4.41Å; E9-T98 WeakPolarHBondContact OE2-CA 3.46Å; E9-T98 WeakPolarHBondContact OE2-CB 3.43Å; E9-V99 PolarHBondContact OE2-N 3.39Å |
| 10 | L | 96.3 | Very high | 93 | Very high | 22 Ų | 22 | 80.1 Ų | 80.1 | 12% | 0.115 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 174.6 | -177.4 | 59 | 0 | 0 | 0 | 111.2 | I6 Q7 K8 D12 L13 Q14 P25 L30 W33 | I6-L10 PolarHBondContact O-N 3.43Å; Q7-L10 WeakPolarHBondContact O-CB 3.47Å; Q7-L10 PolarHBondContact O-N 3.25Å; K8-L10 VanDerWaalsContact C-N 3.29Å; K8-L10 PolarHBondContact O-N 3.28Å; L10-D12 VanDerWaalsContact C-N 3.34Å; L10-D12 PolarHBondContact O-N 3.43Å; L10-L13 PolarHBondContact O-N 3.19Å; L10-Q14 VanDerWaalsContact O-CG 3.32Å; L10-Q14 WeakPolarHBondContact O-CG 3.44Å; L10-Q14 PolarHBondContact O-N 3.19Å; L10-P25 HydrophobicContact CD2-CG 4.13Å; L10-L30 HydrophobicContact CD2-CD2 4.22Å; L10-W33 HydrophobicContact CB-CH2 3.82Å; L10-W33 HydrophobicContact CB-CZ2 3.74Å; L10-W33 HydrophobicContact CD1-CH2 4.24Å; L10-W33 HydrophobicContact CD1-CZ2 4.17Å; L10-W33 HydrophobicContact CG-CZ2 4.39Å |
| 11 | T | 95.8 | Very high | 93.1 | Very high | 83 Ų | 83 | 76.7 Ų | 76.7 | 51% | 0.509 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | Q7 K8 Q14 R15 | Q7-T11 PolarHBondContact O-N 2.82Å; Q7-T11 PolarHBondContact O-OG1 3.4Å; K8-T11 PolarHBondContact O-N 3.04Å; T11-Q14 PolarHBondContact O-N 3.43Å; T11-R15 WeakPolarHBondContact O-CB 3.31Å; T11-R15 PolarHBondContact O-N 3.5Å |
| 12 | D | 94.9 | Very high | 93.6 | Very high | 58 Ų | 58 | 70.4 Ų | 70.4 | 31% | 0.31 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 178.4 | -67.2 | -24.1 | 0 | 0 | 0 | 110.7 | K8 E9 L10 R15 D16 | K8-D12 WeakPolarHBondContact CG-OD2 3.31Å; K8-D12 IonicContact NZ-OD1 3.21Å; K8-D12 PolarHBondContact NZ-OD1 3.07Å; K8-D12 IonicContact NZ-OD2 2.84Å; K8-D12 PolarHBondContact NZ-OD2 3.34Å; K8-D12 WeakPolarHBondContact O-CB 3.43Å; K8-D12 PolarHBondContact O-N 3.36Å; E9-D12 PolarHBondContact O-N 2.88Å; L10-D12 VanDerWaalsContact C-N 3.34Å; L10-D12 PolarHBondContact O-N 3.43Å; D12-R15 PolarHBondContact O-N 2.88Å; D12-D16 PolarHBondContact O-N 2.85Å |
| 13 | L | 93.8 | Very high | 93.8 | Very high | 13 Ų | 13 | 71 Ų | 71 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 175.1 | -80.9 | 167.7 | 0 | 0 | 0 | 113.9 | E9 L10 R15 D16 P17 P18 A23 W33 V99 | E9-L13 WeakPolarHBondContact O-CB 3.37Å; E9-L13 WeakPolarHBondContact O-CG 3.39Å; E9-L13 PolarHBondContact O-N 3.16Å; L10-L13 PolarHBondContact O-N 3.19Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-D16 CarbonylContact O-C 3.49Å; L13-P17 VanDerWaalsContact O-CA 3.26Å; L13-P17 WeakPolarHBondContact O-CA 3.38Å; L13-P17 WeakPolarHBondContact O-CB 3.47Å; L13-P17 VanDerWaalsContact O-N 3.15Å; L13-P18 VanDerWaalsContact CD2-CD 3.48Å; L13-P18 HydrophobicContact CD2-CG 4Å; L13-A23 HydrophobicContact CD1-CB 4.28Å; L13-W33 HydrophobicContact CD1-CE3 4.34Å; L13-W33 HydrophobicContact CD1-CH2 4.04Å; L13-W33 HydrophobicContact CD1-CZ3 3.4Å; L13-W33 VanDerWaalsContact CD1-CZ3 3.4Å; L13-V99 HydrophobicContact CD1-CB 4.19Å; L13-V99 HydrophobicContact CD1-CG1 4.04Å |
| 14 | Q | 92 | Very high | 93.9 | Very high | 140 Ų | 140 | 68.3 Ų | 68.3 | 65% | 0.654 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -68.9 | -33.9 | 176.7 | -74.8 | 174.3 | -17.8 | 0 | 0 | 111.9 | L10 T11 | L10-Q14 VanDerWaalsContact O-CG 3.32Å; L10-Q14 WeakPolarHBondContact O-CG 3.44Å; L10-Q14 PolarHBondContact O-N 3.19Å; T11-Q14 PolarHBondContact O-N 3.43Å |
| 15 | R | 92.8 | Very high | 93.9 | Very high | 204 Ų | 204 | 62.6 Ų | 62.6 | 77% | 0.77 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -77.4 | -39.6 | 179.3 | -166.6 | -176 | 81 | 176.1 | 5.9 | 112.2 | T11 D12 L13 | T11-R15 WeakPolarHBondContact O-CB 3.31Å; T11-R15 PolarHBondContact O-N 3.5Å; D12-R15 PolarHBondContact O-N 2.88Å; L13-R15 VanDerWaalsContact C-N 3.31Å |
| 16 | D | 90.9 | Very high | 93.9 | Very high | 118 Ų | 118 | 62.6 Ų | 62.6 | 63% | 0.631 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -141.7 | 77.4 | -174.2 | -170.2 | 25.3 | 0 | 0 | 0 | 110 | D12 L13 | D12-D16 PolarHBondContact O-N 2.85Å; L13-D16 CarbonylContact O-C 3.49Å |
| 17 | P | 87.9 | Confident | 93.7 | Very high | 72 Ų | 72 | 65.6 Ų | 65.6 | 47% | 0.468 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 136.6 | -178.4 | 26.8 | -33.1 | 0 | 0 | 0 | 110.6 | L13 | L13-P17 VanDerWaalsContact O-CA 3.26Å; L13-P17 WeakPolarHBondContact O-CA 3.38Å; L13-P17 WeakPolarHBondContact O-CB 3.47Å; L13-P17 VanDerWaalsContact O-N 3.15Å |
| 18 | P | 87.7 | Confident | 93.5 | Very high | 11 Ų | 11 | 69.5 Ų | 69.5 | 7% | 0.071 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 143 | 174.1 | 15.1 | -21.6 | 0 | 0 | 0 | 110.7 | L13 Q20 C21 S100 L104 | L13-P18 VanDerWaalsContact CD2-CD 3.48Å; L13-P18 HydrophobicContact CD2-CG 4Å; P18-Q20 PolarHBondContact O-N 3.35Å; P18-C21 HydrophobicContact CB-CB 3.91Å; P18-C21 HydrophobicContact CG-CB 3.63Å; P18-C21 PolarHBondContact O-N 2.94Å; P18-S100 WeakPolarHBondContact CG-OG 3.5Å; P18-L104 HydrophobicContact CB-CD1 4.26Å; P18-L104 HydrophobicContact CB-CD2 3.75Å; P18-L104 HydrophobicContact CB-CG 3.85Å |
| 19 | A | 88 | Confident | 93.4 | Very high | 77 Ų | 77 | 67.9 Ų | 67.9 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 133.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.5 | C21 | A19-C21 PolarHBondContact O-N 3.39Å; A19-C21 PolarHBondContact O-SG 2.76Å; A19-C21 VanDerWaalsContact O-SG 3.36Å |
| 20 | Q | 89 | Confident | 93.4 | Very high | 85 Ų | 85 | 69.7 Ų | 69.7 | 40% | 0.397 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 12.1 | 178.6 | -68 | -178.7 | -30.6 | 0 | 0 | 115.2 | P18 M38 | P18-Q20 PolarHBondContact O-N 3.35Å; Q20-M38 HydrophobicContact CB-CB 3.95Å; Q20-M38 HydrophobicContact CB-CG 4.37Å; Q20-M38 HydrophobicContact CG-CB 4.28Å; Q20-M38 WeakPolarHBondContact O-CG 3.32Å; Q20-M38 PolarHBondContact O-N 2.87Å |
| 21 | C | 94.8 | Very high | 93.4 | Very high | 10 Ų | 10 | 71.5 Ų | 71.5 | 7% | 0.068 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 143.9 | -175.2 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | P18 A19 T36 L103 C107 | P18-C21 HydrophobicContact CB-CB 3.91Å; P18-C21 HydrophobicContact CG-CB 3.63Å; P18-C21 PolarHBondContact O-N 2.94Å; A19-C21 PolarHBondContact O-N 3.39Å; A19-C21 PolarHBondContact O-SG 2.76Å; A19-C21 VanDerWaalsContact O-SG 3.36Å; C21-T36 CarbonylContact C-O 3.51Å; C21-T36 VanDerWaalsContact CA-O 3.29Å; C21-T36 WeakPolarHBondContact CA-O 3.34Å; C21-L103 HydrophobicContact CB-CB 4.19Å; C21-L103 HydrophobicContact CB-CD1 4.25Å; C21-C107 PolarHBondContact SG-SG 3.49Å |
| 22 | S | 95.3 | Very high | 93.5 | Very high | 61 Ų | 61 | 70 Ų | 70 | 43% | 0.427 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 156.1 | 168.6 | 63.9 | 0 | 0 | 0 | 0 | 110.3 | A35 T36 | S22-A35 CarbonylContact O-C 3.58Å; S22-A35 WeakPolarHBondContact O-CA 3.42Å; S22-A35 WeakPolarHBondContact O-CB 3.29Å; S22-T36 PolarHBondContact N-O 2.91Å; S22-T36 PolarHBondContact O-N 3.42Å |
| 23 | A | 97 | Very high | 93.7 | Very high | 20 Ų | 20 | 67.2 Ų | 67.2 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 151.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L13 W33 Q34 A35 V99 L103 | L13-A23 HydrophobicContact CD1-CB 4.28Å; A23-W33 HydrophobicContact CB-CE3 4.05Å; A23-Q34 CarbonylContact C-O 3.5Å; A23-Q34 VanDerWaalsContact CA-O 3.24Å; A23-Q34 WeakPolarHBondContact CA-O 3.45Å; A23-A35 HydrophobicContact CB-CB 3.74Å; A23-V99 HydrophobicContact CB-CG1 4.23Å; A23-L103 HydrophobicContact CB-CD1 4.02Å |
| 24 | G | 96.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 71.2 Ų | 71.2 | 22% | 0.216 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | 166.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | W33 Q34 | G24-W33 CarbonylContact O-C 3.48Å; G24-W33 WeakPolarHBondContact O-CA 3.33Å; G24-W33 WeakPolarHBondContact O-CB 3.42Å; G24-Q34 PolarHBondContact N-O 2.99Å; G24-Q34 PolarHBondContact O-N 2.72Å |
| 25 | P | 97.2 | Very high | 94.2 | Very high | 48 Ų | 48 | 64.6 Ų | 64.6 | 31% | 0.312 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 147.3 | -179.7 | 28.1 | -35.3 | 0 | 0 | 0 | 112.5 | L10 L30 H32 W33 | L10-P25 HydrophobicContact CD2-CG 4.13Å; P25-L30 HydrophobicContact CB-CD2 4.06Å; P25-L30 HydrophobicContact CG-CD2 4.06Å; P25-H32 WeakPolarHBondContact CA-O 3.26Å; P25-W33 VanDerWaalsContact CA-CD1 3.42Å |
| 26 | V | 95.5 | Very high | 94.4 | Very high | 62 Ų | 62 | 56 Ų | 56 | 38% | 0.376 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 108.7 | 173 | -178 | 0 | 0 | 0 | 0 | 108.2 | H32 Q34 | V26-H32 PolarHBondContact N-O 2.63Å; V26-Q34 HydrophobicContact CG2-CB 3.76Å |
| 27 | G | 93.8 | Very high | 94.8 | Very high | 62 Ų | 62 | 50.4 Ų | 50.4 | 64% | 0.639 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | -136.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 28 | D | 92.2 | Very high | 95.2 | Very high | 169 Ų | 169 | 50.7 Ų | 50.7 | 90% | 0.904 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -8.3 | -175.9 | -61.2 | -39.9 | 0 | 0 | 0 | 113.7 | L30 | D28-L30 PolarHBondContact O-N 3.22Š|
| 29 | D | 94.3 | Very high | 95.7 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 102.1 | -179.6 | -174.9 | 10.1 | 0 | 0 | 0 | 111.6 | F31 H32 | D29-F31 PolarHBondContact O-N 2.73Å; D29-F31 WeakPolarHBondContact OD1-CB 3.37Å; D29-F31 PolarHBondContact OD1-N 2.89Å; D29-H32 HydrophobicContact CB-CB 4.38Å; D29-H32 PolarHBondContact O-N 3.35Å; D29-H32 VanDerWaalsContact O-N 3.16Å; D29-H32 VanDerWaalsContact O-O 3.09Å |
| 30 | L | 95.4 | Very high | 96.1 | Very high | 42 Ų | 42 | 47 Ų | 47 | 22% | 0.22 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | -15.9 | 176.1 | -70 | 173.2 | 0 | 0 | 0 | 113.6 | L3 I6 Q7 L10 P25 D28 W33 | L3-L30 HydrophobicContact CD1-CB 3.94Å; L3-L30 HydrophobicContact CD1-CD1 3.54Å; L3-L30 HydrophobicContact CD1-CG 4.39Å; I6-L30 HydrophobicContact CG2-CB 4.42Å; I6-L30 VanDerWaalsContact CG2-O 3.26Å; I6-L30 WeakPolarHBondContact CG2-O 3.22Å; Q7-L30 HydrophobicContact CG-CD1 4Å; L10-L30 HydrophobicContact CD2-CD2 4.22Å; P25-L30 HydrophobicContact CB-CD2 4.06Å; P25-L30 HydrophobicContact CG-CD2 4.06Å; D28-L30 PolarHBondContact O-N 3.22Å; L30-W33 PolarHBondContact O-NE1 2.84Å |
| 31 | F | 97.6 | Very high | 96.3 | Very high | 61 Ų | 61 | 47.8 Ų | 47.8 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -3 | 176.8 | -72 | -100.5 | 0 | 0 | 0 | 113.5 | A2 L3 I6 D29 H55 F56 | A2-F31 HydrophobicContact CB-CE1 3.91Å; A2-F31 HydrophobicContact CB-CZ 4.09Å; L3-F31 HydrophobicContact CB-CZ 4.5Å; L3-F31 HydrophobicContact CD1-CE2 4.16Å; I6-F31 HydrophobicContact CD1-CD1 3.73Å; I6-F31 HydrophobicContact CD1-CE1 3.65Å; I6-F31 HydrophobicContact CD1-CG 4.2Å; I6-F31 HydrophobicContact CD1-CZ 4.07Å; D29-F31 PolarHBondContact O-N 2.73Å; D29-F31 WeakPolarHBondContact OD1-CB 3.37Å; D29-F31 PolarHBondContact OD1-N 2.89Å; F31-H55 WeakPolarHBondContact O-CA 3.49Å; F31-F56 HydrophobicContact CB-CB 4.47Å; F31-F56 HydrophobicContact CD1-CB 3.84Å; F31-F56 WeakPolarHBondContact O-CD2 3.24Å; F31-F56 PolarHBondContact O-N 3.23Å |
| 32 | H | 98.3 | Very high | 96.2 | Very high | 50 Ų | 50 | 55 Ų | 55 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 112.8 | 175.8 | -179.8 | -149.5 | 0 | 0 | 0 | 110.9 | P25 V26 D29 T53 H55 | P25-H32 WeakPolarHBondContact CA-O 3.26Å; V26-H32 PolarHBondContact N-O 2.63Å; D29-H32 HydrophobicContact CB-CB 4.38Å; D29-H32 PolarHBondContact O-N 3.35Å; D29-H32 VanDerWaalsContact O-N 3.16Å; D29-H32 VanDerWaalsContact O-O 3.09Å; H32-T53 PolarHBondContact CD2-OG1 2.76Å; H32-T53 PolarHBondContact NE2-OG1 2.82Å; H32-H55 AromaticContact CD2-CD2 3.66Å; H32-H55 AromaticContact CD2-CE1 3.39Å; H32-H55 PolarHBondContact CD2-CE1 2.95Å; H32-H55 AromaticContact CD2-ND1 3.88Å; H32-H55 AromaticContact CD2-NE2 3.25Å; H32-H55 PolarHBondContact CD2-NE2 3.42Å; H32-H55 VanDerWaalsContact CD2-NE2 3.25Å; H32-H55 AromaticContact CG-NE2 3.83Å; H32-H55 AromaticContact NE2-CE1 3.38Å; H32-H55 PolarHBondContact NE2-CE1 2.88Å; H32-H55 AromaticContact NE2-NE2 3.43Å; H32-H55 PolarHBondContact NE2-NE2 3.19Å |
| 33 | W | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 151.9 | 178.7 | -68.7 | 16.2 | 0 | 0 | 0 | 111.8 | I6 E9 L10 L13 A23 G24 P25 L30 I54 F56 V99 | I6-W33 HydrophobicContact CG2-CH2 4.49Å; I6-W33 HydrophobicContact CG2-CZ2 3.5Å; E9-W33 HydrophobicContact CB-CH2 4.29Å; L10-W33 HydrophobicContact CB-CH2 3.82Å; L10-W33 HydrophobicContact CB-CZ2 3.74Å; L10-W33 HydrophobicContact CD1-CH2 4.24Å; L10-W33 HydrophobicContact CD1-CZ2 4.17Å; L10-W33 HydrophobicContact CG-CZ2 4.39Å; L13-W33 HydrophobicContact CD1-CE3 4.34Å; L13-W33 HydrophobicContact CD1-CH2 4.04Å; L13-W33 HydrophobicContact CD1-CZ3 3.4Å; L13-W33 VanDerWaalsContact CD1-CZ3 3.4Å; A23-W33 HydrophobicContact CB-CE3 4.05Å; G24-W33 CarbonylContact O-C 3.48Å; G24-W33 WeakPolarHBondContact O-CA 3.33Å; G24-W33 WeakPolarHBondContact O-CB 3.42Å; P25-W33 VanDerWaalsContact CA-CD1 3.42Å; L30-W33 PolarHBondContact O-NE1 2.84Å; W33-I54 HydrophobicContact CB-CB 4.13Å; W33-I54 PolarHBondContact N-O 2.84Å; W33-I54 PolarHBondContact O-N 3.03Å; W33-F56 HydrophobicContact CB-CE2 4.17Å; W33-F56 AromaticContact CD1-CE2 3.64Å; W33-F56 AromaticContact CD2-CE2 3.54Å; W33-F56 HydrophobicContact CD2-CE2 3.54Å; W33-F56 AromaticContact CD2-CZ 3.74Å; W33-F56 HydrophobicContact CD2-CZ 3.74Å; W33-F56 AromaticContact CE2-CE2 3.66Å; W33-F56 AromaticContact CE2-CZ 3.92Å; W33-F56 HydrophobicContact CE3-CE2 4.09Å; W33-F56 AromaticContact CE3-CZ 3.8Å; W33-F56 HydrophobicContact CE3-CZ 3.8Å; W33-F56 AromaticContact CG-CE2 3.57Å; W33-F56 HydrophobicContact CG-CE2 3.57Å; W33-F56 HydrophobicContact CG-CZ 4.2Å; W33-F56 HydrophobicContact CH2-CZ 4.26Å; W33-F56 HydrophobicContact CZ2-CE2 4.31Å; W33-F56 HydrophobicContact CZ2-CZ 4.21Å; W33-F56 HydrophobicContact CZ3-CZ 4.04Å; W33-F56 AromaticContact NE1-CE2 3.67Å; W33-V99 HydrophobicContact CE3-CG1 4.24Å; W33-V99 HydrophobicContact CE3-CG2 4.33Å; W33-V99 HydrophobicContact CZ3-CB 4.17Å; W33-V99 HydrophobicContact CZ3-CG1 4.06Å; W33-V99 HydrophobicContact CZ3-CG2 3.89Å |
| 34 | Q | 98.3 | Very high | 96.3 | Very high | 97 Ų | 97 | 52.2 Ų | 52.2 | 45% | 0.453 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 138.3 | 162 | -178.9 | 175.4 | 86.3 | 0 | 0 | 108.1 | A23 G24 V26 F51 L52 | A23-Q34 CarbonylContact C-O 3.5Å; A23-Q34 VanDerWaalsContact CA-O 3.24Å; A23-Q34 WeakPolarHBondContact CA-O 3.45Å; G24-Q34 PolarHBondContact N-O 2.99Å; G24-Q34 PolarHBondContact O-N 2.72Å; V26-Q34 HydrophobicContact CG2-CB 3.76Å; Q34-F51 HydrophobicContact CG-CD1 4.42Å; Q34-L52 WeakPolarHBondContact CA-O 3.45Å |
| 35 | A | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 153.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S22 A23 F51 L52 I54 L103 | S22-A35 CarbonylContact O-C 3.58Å; S22-A35 WeakPolarHBondContact O-CA 3.42Å; S22-A35 WeakPolarHBondContact O-CB 3.29Å; A23-A35 HydrophobicContact CB-CB 3.74Å; A35-F51 CarbonylContact O-C 3.56Å; A35-F51 WeakPolarHBondContact O-CA 3.37Å; A35-L52 HydrophobicContact CB-CB 4.33Å; A35-L52 PolarHBondContact N-O 3.21Å; A35-L52 PolarHBondContact O-N 2.9Å; A35-I54 HydrophobicContact CB-CD1 3.79Å; A35-I54 HydrophobicContact CB-CG1 4.39Å; A35-L103 HydrophobicContact CB-CD1 4.22Å; A35-L103 HydrophobicContact CB-CD2 3.69Å |
| 36 | T | 97.6 | Very high | 96.4 | Very high | 24 Ų | 24 | 53.7 Ų | 53.7 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.9 | 175.9 | -57.1 | 0 | 0 | 0 | 0 | 108.4 | C21 S22 M38 V49 F50 F51 | C21-T36 CarbonylContact C-O 3.51Å; C21-T36 VanDerWaalsContact CA-O 3.29Å; C21-T36 WeakPolarHBondContact CA-O 3.34Å; S22-T36 PolarHBondContact N-O 2.91Å; S22-T36 PolarHBondContact O-N 3.42Å; T36-M38 HydrophobicContact CG2-SD 4.48Å; T36-V49 HydrophobicContact CG2-CG1 3.43Å; T36-V49 VanDerWaalsContact CG2-CG1 3.43Å; T36-F50 CarbonylContact C-O 3.58Å; T36-F50 WeakPolarHBondContact CA-O 3.28Å; T36-F51 HydrophobicContact CG2-CE1 4.36Å |
| 37 | I | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.1 | 171.6 | -69.6 | 176.6 | 0 | 0 | 0 | 107.7 | F50 L52 L103 I106 C107 L110 | I37-F50 PolarHBondContact N-O 3.3Å; I37-F50 PolarHBondContact O-N 3.36Å; I37-L52 HydrophobicContact CB-CD1 4.16Å; I37-L52 HydrophobicContact CD1-CD1 3.72Å; I37-L52 HydrophobicContact CD1-CD2 4.22Å; I37-L52 HydrophobicContact CG1-CD1 3.82Å; I37-L103 HydrophobicContact CD1-CD2 4.13Å; I37-L103 HydrophobicContact CG1-CD2 4.31Å; I37-I106 HydrophobicContact CD1-CB 3.91Å; I37-I106 HydrophobicContact CD1-CG2 3.53Å; I37-C107 WeakPolarHBondContact CG2-SG 3.4Å; I37-L110 HydrophobicContact CG2-CD1 4.01Å |
| 38 | M | 97.8 | Very high | 96.7 | Very high | 78 Ų | 78 | 50 Ų | 50 | 38% | 0.384 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 134.5 | 168.6 | -53.1 | -60.8 | -62.1 | 0 | 0 | 108.5 | Q20 T36 P40 V49 | Q20-M38 HydrophobicContact CB-CB 3.95Å; Q20-M38 HydrophobicContact CB-CG 4.37Å; Q20-M38 HydrophobicContact CG-CB 4.28Å; Q20-M38 WeakPolarHBondContact O-CG 3.32Å; Q20-M38 PolarHBondContact O-N 2.87Å; T36-M38 HydrophobicContact CG2-SD 4.48Å; M38-P40 WeakPolarHBondContact O-CD 3.21Å; M38-V49 HydrophobicContact CE-CG2 3.79Å; M38-V49 HydrophobicContact SD-CG1 4.36Å; M38-V49 HydrophobicContact SD-CG2 4.02Å |
| 39 | G | 97.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 44 Ų | 44 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 122.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y45 G48 | G39-Y45 VanDerWaalsContact CA-O 3.28Å; G39-Y45 WeakPolarHBondContact CA-O 3.34Å; G39-G48 PolarHBondContact N-O 2.94Å |
| 40 | P | 96 | Very high | 97.2 | Very high | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.039 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 148.6 | -176 | -26.4 | 34.8 | 0 | 0 | 0 | 112.6 | M38 S43 Q46 L110 C111 | M38-P40 WeakPolarHBondContact O-CD 3.21Å; P40-S43 WeakPolarHBondContact O-CB 3.17Å; P40-S43 PolarHBondContact O-N 3.32Å; P40-S43 PolarHBondContact O-OG 2.81Å; P40-Q46 WeakPolarHBondContact O-CA 3.41Å; P40-Q46 WeakPolarHBondContact O-CB 3.46Å; P40-L110 HydrophobicContact CG-CB 4.26Å; P40-C111 WeakPolarHBondContact CB-SG 3.49Å; P40-C111 VanDerWaalsContact CG-SG 3.59Å |
| 41 | N | 94.1 | Very high | 97.3 | Very high | 102 Ų | 102 | 41.7 Ų | 41.7 | 55% | 0.545 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 151.9 | 173.2 | -65.9 | -24.6 | 0 | 0 | 0 | 110.5 | S43 | N41-S43 PolarHBondContact O-N 3.29Å; N41-S43 VanDerWaalsContact O-N 3.09Å |
| 42 | D | 93.3 | Very high | 97.3 | Very high | 161 Ų | 161 | 38.8 Ų | 38.8 | 86% | 0.861 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 20.5 | -179.6 | -54.5 | -51.4 | 0 | 0 | 0 | 113.9 | ||
| 43 | S | 95.9 | Very high | 97.3 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 8% | 0.077 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -114.4 | 160.3 | 175 | 84.7 | 0 | 0 | 0 | 0 | 110.7 | P40 N41 Y45 Q46 | P40-S43 WeakPolarHBondContact O-CB 3.17Å; P40-S43 PolarHBondContact O-N 3.32Å; P40-S43 PolarHBondContact O-OG 2.81Å; N41-S43 PolarHBondContact O-N 3.29Å; N41-S43 VanDerWaalsContact O-N 3.09Å; S43-Y45 PolarHBondContact O-N 2.9Å; S43-Y45 VanDerWaalsContact O-N 3.08Å; S43-Y45 WeakPolarHBondContact OG-CB 3.46Å; S43-Y45 PolarHBondContact OG-N 3.45Å; S43-Y45 VanDerWaalsContact OG-N 3.12Å; S43-Q46 WeakPolarHBondContact O-CB 3.35Å; S43-Q46 PolarHBondContact O-N 3.17Å; S43-Q46 PolarHBondContact OG-N 2.86Å |
| 44 | P | 97.8 | Very high | 97.4 | Very high | 13 Ų | 13 | 37.7 Ų | 37.7 | 8% | 0.084 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -4.9 | 172 | 31 | -36.6 | 0 | 0 | 0 | 113.6 | Y134 N135 A138 R139 T142 | P44-Y134 HydrophobicContact CG-CE1 4.25Å; P44-N135 HydrophobicContact CB-CB 4.48Å; P44-A138 HydrophobicContact CB-CB 3.55Å; P44-A138 HydrophobicContact CG-CB 3.72Å; P44-R139 HydrophobicContact CB-CG 3.78Å; P44-R139 WeakPolarHBondContact O-CA 3.46Å; P44-R139 WeakPolarHBondContact O-CG 3.35Å; P44-T142 PolarHBondContact O-OG1 2.88Å |
| 45 | Y | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -9.6 | 177.2 | -51.9 | -63.9 | 0 | 0 | 0 | 112.9 | G39 S43 G47 G48 F50 I73 Y74 H75 L110 Y134 A138 T142 | G39-Y45 VanDerWaalsContact CA-O 3.28Å; G39-Y45 WeakPolarHBondContact CA-O 3.34Å; S43-Y45 PolarHBondContact O-N 2.9Å; S43-Y45 VanDerWaalsContact O-N 3.08Å; S43-Y45 WeakPolarHBondContact OG-CB 3.46Å; S43-Y45 PolarHBondContact OG-N 3.45Å; S43-Y45 VanDerWaalsContact OG-N 3.12Å; Y45-G47 PolarHBondContact O-N 3.29Å; Y45-G48 PolarHBondContact O-N 3.02Å; Y45-F50 HydrophobicContact CD1-CE2 4.49Å; Y45-F50 AromaticContact CD1-CZ 3.85Å; Y45-F50 HydrophobicContact CD1-CZ 3.85Å; Y45-F50 HydrophobicContact CG-CZ 4.3Å; Y45-I73 HydrophobicContact CD1-CD1 3.86Å; Y45-I73 HydrophobicContact CD1-CG1 4.02Å; Y45-I73 HydrophobicContact CE1-CD1 3.67Å; Y45-I73 HydrophobicContact CE1-CG1 3.56Å; Y45-Y74 PolarHBondContact OH-O 3.42Å; Y45-H75 AromaticContact CZ-CD2 3.89Å; Y45-H75 PolarHBondContact OH-CD2 2.87Å; Y45-H75 VanDerWaalsContact OH-CD2 3.22Å; Y45-L110 HydrophobicContact CD2-CB 3.93Å; Y45-L110 HydrophobicContact CD2-CD2 4.49Å; Y45-L110 HydrophobicContact CE2-CB 4.17Å; Y45-L110 HydrophobicContact CE2-CD2 4.32Å; Y45-L110 VanDerWaalsContact CE2-O 3.24Å; Y45-L110 WeakPolarHBondContact CE2-O 3.47Å; Y45-Y134 PolarHBondContact OH-OH 3.14Å; Y45-A138 HydrophobicContact CE1-CB 4.1Å; Y45-T142 WeakPolarHBondContact CA-OG1 3.39Å; Y45-T142 WeakPolarHBondContact O-CG2 3.4Å |
| 46 | Q | 97.4 | Very high | 97.4 | Very high | 99 Ų | 99 | 37.6 Ų | 37.6 | 46% | 0.463 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 132.4 | -177.3 | -177 | 173.8 | -27.6 | 0 | 0 | 112.1 | P40 S43 G48 | P40-Q46 WeakPolarHBondContact O-CA 3.41Å; P40-Q46 WeakPolarHBondContact O-CB 3.46Å; S43-Q46 WeakPolarHBondContact O-CB 3.35Å; S43-Q46 PolarHBondContact O-N 3.17Å; S43-Q46 PolarHBondContact OG-N 2.86Å; Q46-G48 VanDerWaalsContact C-N 3.27Å; Q46-G48 PolarHBondContact O-N 3.07Å |
| 47 | G | 96.6 | Very high | 97.3 | Very high | 46 Ų | 46 | 38 Ų | 38 | 47% | 0.474 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -11.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y45 | Y45-G47 PolarHBondContact O-N 3.29Š|
| 48 | G | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -79.4 | 153.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G39 Y45 Q46 A146 | G39-G48 PolarHBondContact N-O 2.94Å; Y45-G48 PolarHBondContact O-N 3.02Å; Q46-G48 VanDerWaalsContact C-N 3.27Å; Q46-G48 PolarHBondContact O-N 3.07Å; G48-A146 CarbonylContact C-O 3.53Å; G48-A146 WeakPolarHBondContact CA-O 3.48Å | ||
| 49 | V | 98.3 | Very high | 97.2 | Very high | 45 Ų | 45 | 42.9 Ų | 42.9 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 111.2 | 172.2 | -174.7 | 0 | 0 | 0 | 0 | 108.1 | T36 M38 F51 A146 | T36-V49 HydrophobicContact CG2-CG1 3.43Å; T36-V49 VanDerWaalsContact CG2-CG1 3.43Å; M38-V49 HydrophobicContact CE-CG2 3.79Å; M38-V49 HydrophobicContact SD-CG1 4.36Å; M38-V49 HydrophobicContact SD-CG2 4.02Å; V49-F51 HydrophobicContact CG1-CE1 4.36Å; V49-F51 HydrophobicContact CG1-CE2 4.2Å; V49-F51 HydrophobicContact CG1-CZ 3.93Å; V49-A146 PolarHBondContact N-O 3.24Å |
| 50 | F | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.9 | -177.1 | -60.4 | -88.1 | 0 | 0 | 0 | 110.3 | T36 I37 Y45 L52 F69 T71 I73 T142 A146 | T36-F50 CarbonylContact C-O 3.58Å; T36-F50 WeakPolarHBondContact CA-O 3.28Å; I37-F50 PolarHBondContact N-O 3.3Å; I37-F50 PolarHBondContact O-N 3.36Å; Y45-F50 HydrophobicContact CD1-CE2 4.49Å; Y45-F50 AromaticContact CD1-CZ 3.85Å; Y45-F50 HydrophobicContact CD1-CZ 3.85Å; Y45-F50 HydrophobicContact CG-CZ 4.3Å; F50-L52 WeakPolarHBondContact O-CD1 3.21Å; F50-F69 HydrophobicContact CB-CD1 4.13Å; F50-F69 HydrophobicContact CB-CE1 3.76Å; F50-F69 HydrophobicContact CD1-CD1 4.42Å; F50-F69 HydrophobicContact CD1-CE1 4.23Å; F50-F69 HydrophobicContact CG-CE1 4.17Å; F50-T71 HydrophobicContact CD1-CG2 3.78Å; F50-T71 HydrophobicContact CE1-CG2 4.34Å; F50-I73 HydrophobicContact CD1-CB 4.29Å; F50-I73 HydrophobicContact CD1-CD1 3.95Å; F50-I73 HydrophobicContact CD1-CG1 4.33Å; F50-I73 HydrophobicContact CE1-CB 4.07Å; F50-I73 HydrophobicContact CE1-CD1 3.7Å; F50-I73 HydrophobicContact CE1-CG1 3.81Å; F50-I73 HydrophobicContact CZ-CD1 4.19Å; F50-I73 HydrophobicContact CZ-CG1 4.49Å; F50-T142 HydrophobicContact CZ-CG2 4.08Å; F50-A146 HydrophobicContact CD1-CB 4Å; F50-A146 HydrophobicContact CE1-CB 3.6Å; F50-A146 HydrophobicContact CE2-CB 4.23Å; F50-A146 HydrophobicContact CG-CB 4.48Å; F50-A146 HydrophobicContact CZ-CB 3.73Å |
| 51 | F | 98.4 | Very high | 97.2 | Very high | 77 Ų | 77 | 43.2 Ų | 43.2 | 34% | 0.338 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 140.3 | 173.8 | -61.4 | -75.1 | 0 | 0 | 0 | 110.2 | Q34 A35 T36 V49 T70 T71 | Q34-F51 HydrophobicContact CG-CD1 4.42Å; A35-F51 CarbonylContact O-C 3.56Å; A35-F51 WeakPolarHBondContact O-CA 3.37Å; T36-F51 HydrophobicContact CG2-CE1 4.36Å; V49-F51 HydrophobicContact CG1-CE1 4.36Å; V49-F51 HydrophobicContact CG1-CE2 4.2Å; V49-F51 HydrophobicContact CG1-CZ 3.93Å; F51-T70 WeakPolarHBondContact CB-OG1 3.39Å; F51-T70 PolarHBondContact O-N 3.31Å; F51-T70 PolarHBondContact O-OG1 2.96Å; F51-T71 WeakPolarHBondContact CD2-OG1 3.38Å; F51-T71 PolarHBondContact N-OG1 3.37Å; F51-T71 PolarHBondContact O-N 3.38Å |
| 52 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 152.1 | 175.1 | -61 | 88.8 | 0 | 0 | 0 | 109.4 | Q34 A35 I37 F50 V67 A68 F69 I84 I106 | Q34-L52 WeakPolarHBondContact CA-O 3.45Å; A35-L52 HydrophobicContact CB-CB 4.33Å; A35-L52 PolarHBondContact N-O 3.21Å; A35-L52 PolarHBondContact O-N 2.9Å; I37-L52 HydrophobicContact CB-CD1 4.16Å; I37-L52 HydrophobicContact CD1-CD1 3.72Å; I37-L52 HydrophobicContact CD1-CD2 4.22Å; I37-L52 HydrophobicContact CG1-CD1 3.82Å; F50-L52 WeakPolarHBondContact O-CD1 3.21Å; L52-V67 HydrophobicContact CD2-CG1 3.87Å; L52-A68 CarbonylContact C-O 3.56Å; L52-A68 WeakPolarHBondContact CA-O 3.49Å; L52-A68 WeakPolarHBondContact CB-O 3.29Å; L52-F69 HydrophobicContact CD1-CD1 4.37Å; L52-F69 HydrophobicContact CD1-CE1 4.14Å; L52-F69 HydrophobicContact CD1-CZ 4.38Å; L52-F69 HydrophobicContact CD2-CD1 4.47Å; L52-F69 HydrophobicContact CD2-CD2 3.82Å; L52-F69 HydrophobicContact CD2-CE1 4.34Å; L52-F69 HydrophobicContact CD2-CE2 3.64Å; L52-F69 HydrophobicContact CD2-CG 4.23Å; L52-F69 HydrophobicContact CD2-CZ 3.92Å; L52-F69 HydrophobicContact CG-CD1 4.1Å; L52-F69 HydrophobicContact CG-CD2 4.2Å; L52-F69 HydrophobicContact CG-CE1 4.22Å; L52-F69 HydrophobicContact CG-CE2 4.3Å; L52-F69 HydrophobicContact CG-CG 4.1Å; L52-F69 HydrophobicContact CG-CZ 4.31Å; L52-I84 HydrophobicContact CD2-CD1 4.13Å; L52-I106 HydrophobicContact CD2-CD1 3.98Å; L52-I106 HydrophobicContact CD2-CG2 4.41Å |
| 53 | T | 98.4 | Very high | 97.5 | Very high | 27 Ų | 27 | 43.2 Ų | 43.2 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 140 | 168.6 | -172.1 | 0 | 0 | 0 | 0 | 110.3 | H32 H55 V67 A68 T70 | H32-T53 PolarHBondContact CD2-OG1 2.76Å; H32-T53 PolarHBondContact NE2-OG1 2.82Å; T53-H55 PolarHBondContact OG1-CE1 2.95Å; T53-H55 PolarHBondContact OG1-ND1 2.88Å; T53-V67 WeakPolarHBondContact O-CA 3.32Å; T53-A68 HydrophobicContact CG2-CB 4.23Å; T53-A68 PolarHBondContact N-O 2.89Å; T53-A68 PolarHBondContact O-N 2.87Å; T53-T70 HydrophobicContact CG2-CG2 4.05Å |
| 54 | I | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 121.2 | 179.8 | -55.1 | 178.4 | 0 | 0 | 0 | 107.5 | W33 A35 F56 P65 K66 V67 V99 L103 | W33-I54 HydrophobicContact CB-CB 4.13Å; W33-I54 PolarHBondContact N-O 2.84Å; W33-I54 PolarHBondContact O-N 3.03Å; A35-I54 HydrophobicContact CB-CD1 3.79Å; A35-I54 HydrophobicContact CB-CG1 4.39Å; I54-F56 HydrophobicContact CG2-CE1 4.2Å; I54-F56 HydrophobicContact CG2-CE2 3.93Å; I54-F56 HydrophobicContact CG2-CZ 3.77Å; I54-P65 HydrophobicContact CG2-CB 3.77Å; I54-P65 HydrophobicContact CG2-CG 4.37Å; I54-K66 CarbonylContact C-O 3.3Å; I54-K66 WeakPolarHBondContact CA-O 3.36Å; I54-V67 HydrophobicContact CG1-CG1 4.23Å; I54-V67 HydrophobicContact CG1-CG2 4.17Å; I54-V67 HydrophobicContact CG2-CG2 4.26Å; I54-V99 HydrophobicContact CD1-CG1 3.76Å; I54-L103 HydrophobicContact CD1-CD2 4.48Å |
| 55 | H | 98.3 | Very high | 97.6 | Very high | 83 Ų | 83 | 44 Ų | 44 | 38% | 0.384 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.9 | 174.6 | -66.5 | 78.8 | 0 | 0 | 0 | 110 | F31 H32 T53 P65 K66 | F31-H55 WeakPolarHBondContact O-CA 3.49Å; H32-H55 AromaticContact CD2-CD2 3.66Å; H32-H55 AromaticContact CD2-CE1 3.39Å; H32-H55 PolarHBondContact CD2-CE1 2.95Å; H32-H55 AromaticContact CD2-ND1 3.88Å; H32-H55 AromaticContact CD2-NE2 3.25Å; H32-H55 PolarHBondContact CD2-NE2 3.42Å; H32-H55 VanDerWaalsContact CD2-NE2 3.25Å; H32-H55 AromaticContact CG-NE2 3.83Å; H32-H55 AromaticContact NE2-CE1 3.38Å; H32-H55 PolarHBondContact NE2-CE1 2.88Å; H32-H55 AromaticContact NE2-NE2 3.43Å; H32-H55 PolarHBondContact NE2-NE2 3.19Å; T53-H55 PolarHBondContact OG1-CE1 2.95Å; T53-H55 PolarHBondContact OG1-ND1 2.88Å; H55-P65 CarbonylContact O-C 3.54Å; H55-P65 VanDerWaalsContact O-CA 3.32Å; H55-P65 WeakPolarHBondContact O-CA 3.18Å; H55-K66 HydrophobicContact CB-CB 4.35Å; H55-K66 PolarHBondContact N-O 3.44Å; H55-K66 PolarHBondContact O-N 3.32Å |
| 56 | F | 98.2 | Very high | 97.6 | Very high | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.057 | 27% | 0.27 | C | S | . | . | trans | -84.6 | 132.1 | 178.3 | -59.4 | -87.5 | 0 | 0 | 0 | 110.1 | I6 F31 W33 I54 Y60 P65 V99 | I6-F56 HydrophobicContact CD1-CB 3.69Å; I6-F56 HydrophobicContact CD1-CD1 4.19Å; I6-F56 HydrophobicContact CD1-CD2 4.14Å; I6-F56 HydrophobicContact CD1-CG 3.74Å; I6-F56 HydrophobicContact CG1-CB 4.47Å; I6-F56 HydrophobicContact CG1-CD1 4.03Å; I6-F56 HydrophobicContact CG1-CD2 4.45Å; I6-F56 HydrophobicContact CG1-CE1 4.4Å; I6-F56 HydrophobicContact CG1-CG 4.06Å; F31-F56 HydrophobicContact CB-CB 4.47Å; F31-F56 HydrophobicContact CD1-CB 3.84Å; F31-F56 WeakPolarHBondContact O-CD2 3.24Å; F31-F56 PolarHBondContact O-N 3.23Å; W33-F56 HydrophobicContact CB-CE2 4.17Å; W33-F56 AromaticContact CD1-CE2 3.64Å; W33-F56 AromaticContact CD2-CE2 3.54Å; W33-F56 HydrophobicContact CD2-CE2 3.54Å; W33-F56 AromaticContact CD2-CZ 3.74Å; W33-F56 HydrophobicContact CD2-CZ 3.74Å; W33-F56 AromaticContact CE2-CE2 3.66Å; W33-F56 AromaticContact CE2-CZ 3.92Å; W33-F56 HydrophobicContact CE3-CE2 4.09Å; W33-F56 AromaticContact CE3-CZ 3.8Å; W33-F56 HydrophobicContact CE3-CZ 3.8Å; W33-F56 AromaticContact CG-CE2 3.57Å; W33-F56 HydrophobicContact CG-CE2 3.57Å; W33-F56 HydrophobicContact CG-CZ 4.2Å; W33-F56 HydrophobicContact CH2-CZ 4.26Å; W33-F56 HydrophobicContact CZ2-CE2 4.31Å; W33-F56 HydrophobicContact CZ2-CZ 4.21Å; W33-F56 HydrophobicContact CZ3-CZ 4.04Å; W33-F56 AromaticContact NE1-CE2 3.67Å; I54-F56 HydrophobicContact CG2-CE1 4.2Å; I54-F56 HydrophobicContact CG2-CE2 3.93Å; I54-F56 HydrophobicContact CG2-CZ 3.77Å; F56-Y60 HydrophobicContact CB-CG 4.49Å; F56-Y60 AromaticContact CD1-CD1 3.94Å; F56-Y60 HydrophobicContact CD1-CD1 3.94Å; F56-Y60 AromaticContact CD1-CD2 3.83Å; F56-Y60 HydrophobicContact CD1-CD2 3.83Å; F56-Y60 AromaticContact CD1-CE1 3.96Å; F56-Y60 HydrophobicContact CD1-CE1 3.96Å; F56-Y60 AromaticContact CD1-CE2 3.87Å; F56-Y60 HydrophobicContact CD1-CE2 3.87Å; F56-Y60 AromaticContact CD1-CG 3.88Å; F56-Y60 HydrophobicContact CD1-CG 3.88Å; F56-Y60 AromaticContact CD1-CZ 3.94Å; F56-Y60 HydrophobicContact CE1-CE1 4.12Å; F56-Y60 HydrophobicContact CE1-CE2 4.19Å; F56-Y60 AromaticContact CE1-CZ 3.95Å; F56-P65 HydrophobicContact CD1-CB 4.02Å; F56-P65 HydrophobicContact CE1-CB 4.26Å; F56-V99 HydrophobicContact CE1-CG2 3.62Å; F56-V99 HydrophobicContact CZ-CG2 3.62Å | ||
| 57 | P | 97.2 | Very high | 97.7 | Very high | 32 Ų | 32 | 48 Ų | 48 | 21% | 0.208 | 25% | 0.253 | C | S | . | . | trans | -73.1 | 159.6 | 170.3 | 33.8 | -37.5 | 0 | 0 | 0 | 110.6 | D59 Y60 K63 P64 | P57-D59 WeakPolarHBondContact CB-OD1 3.15Å; P57-D59 PolarHBondContact O-N 3.36Å; P57-Y60 VanDerWaalsContact O-CB 3.27Å; P57-Y60 WeakPolarHBondContact O-CB 3.21Å; P57-Y60 PolarHBondContact O-N 3.05Å; P57-K63 HydrophobicContact CB-CB 4.42Å; P57-K63 HydrophobicContact CG-CB 3.76Å; P57-P64 WeakPolarHBondContact CD-O 3.46Å; P57-P64 WeakPolarHBondContact CG-O 3.26Å | ||
| 58 | T | 95.8 | Very high | 97.8 | Very high | 129 Ų | 129 | 47 Ų | 47 | 79% | 0.791 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.4 | -179.4 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 59 | D | 96.1 | Very high | 97.8 | Very high | 52 Ų | 52 | 47.4 Ų | 47.4 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 15.2 | 176.4 | 59.1 | -4.7 | 0 | 0 | 0 | 113.4 | P57 F62 K63 | P57-D59 WeakPolarHBondContact CB-OD1 3.15Å; P57-D59 PolarHBondContact O-N 3.36Å; D59-F62 VanDerWaalsContact O-CB 3.31Å; D59-F62 WeakPolarHBondContact O-CB 3.11Å; D59-F62 WeakPolarHBondContact O-CD2 3.33Å; D59-F62 PolarHBondContact O-N 3.44Å; D59-K63 WeakPolarHBondContact OD1-CB 3.39Å; D59-K63 WeakPolarHBondContact OD2-CD 3.47Å; D59-K63 WeakPolarHBondContact OD2-CE 3.34Å; D59-K63 WeakPolarHBondContact OD2-CG 3.48Å; D59-K63 IonicContact OD2-NZ 2.71Å; D59-K63 PolarHBondContact OD2-NZ 3.13Å |
| 60 | Y | 97.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 136.4 | 170.5 | -172.1 | -101.5 | 0 | 0 | 0 | 111 | A2 R5 I6 E9 F56 P57 K63 P65 W93 | A2-Y60 VanDerWaalsContact CA-O 3.22Å; A2-Y60 WeakPolarHBondContact CA-O 3.4Å; A2-Y60 VanDerWaalsContact CB-O 3.23Å; A2-Y60 WeakPolarHBondContact CB-O 3.2Å; R5-Y60 HydrophobicContact CG-CD1 3.99Å; R5-Y60 HydrophobicContact CG-CE1 3.69Å; I6-Y60 HydrophobicContact CD1-CD1 4.39Å; I6-Y60 HydrophobicContact CG1-CD1 3.79Å; I6-Y60 HydrophobicContact CG1-CE1 4.15Å; E9-Y60 WeakPolarHBondContact OE1-CE1 3.42Å; E9-Y60 PolarHBondContact OE1-OH 3.5Å; E9-Y60 PolarHBondContact OE2-OH 2.95Å; F56-Y60 HydrophobicContact CB-CG 4.49Å; F56-Y60 AromaticContact CD1-CD1 3.94Å; F56-Y60 HydrophobicContact CD1-CD1 3.94Å; F56-Y60 AromaticContact CD1-CD2 3.83Å; F56-Y60 HydrophobicContact CD1-CD2 3.83Å; F56-Y60 AromaticContact CD1-CE1 3.96Å; F56-Y60 HydrophobicContact CD1-CE1 3.96Å; F56-Y60 AromaticContact CD1-CE2 3.87Å; F56-Y60 HydrophobicContact CD1-CE2 3.87Å; F56-Y60 AromaticContact CD1-CG 3.88Å; F56-Y60 HydrophobicContact CD1-CG 3.88Å; F56-Y60 AromaticContact CD1-CZ 3.94Å; F56-Y60 HydrophobicContact CE1-CE1 4.12Å; F56-Y60 HydrophobicContact CE1-CE2 4.19Å; F56-Y60 AromaticContact CE1-CZ 3.95Å; P57-Y60 VanDerWaalsContact O-CB 3.27Å; P57-Y60 WeakPolarHBondContact O-CB 3.21Å; P57-Y60 PolarHBondContact O-N 3.05Å; Y60-K63 WeakPolarHBondContact CD2-O 3.33Å; Y60-P65 HydrophobicContact CE2-CG 4.33Å; Y60-W93 HydrophobicContact CD2-CZ2 4.23Å; Y60-W93 AromaticContact CE2-CH2 3.69Å; Y60-W93 HydrophobicContact CE2-CH2 3.69Å; Y60-W93 AromaticContact CE2-CZ2 3.51Å; Y60-W93 HydrophobicContact CE2-CZ2 3.51Å |
| 61 | P | 96.6 | Very high | 97.8 | Very high | 15 Ų | 15 | 50 Ų | 50 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -95.2 | 14.5 | 7.7 | 39.1 | -36.9 | 0 | 0 | 0 | 114.9 | R5 K63 W93 P95 | R5-P61 HydrophobicContact CG-CB 4.37Å; R5-P61 HydrophobicContact CG-CG 4.15Å; P61-K63 VanDerWaalsContact C-N 3.29Å; P61-K63 PolarHBondContact O-N 3.3Å; P61-W93 HydrophobicContact CB-CZ2 4.48Å; P61-W93 PolarHBondContact O-NE1 3.18Å; P61-P95 HydrophobicContact CB-CB 4.3Å; P61-P95 HydrophobicContact CG-CB 4.08Å; P61-P95 WeakPolarHBondContact O-CA 3.38Å |
| 62 | F | 96.7 | Very high | 97.8 | Very high | 147 Ų | 147 | 51.9 Ų | 51.9 | 65% | 0.645 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -69.6 | -28.6 | 179.5 | -61.4 | -72.4 | 0 | 0 | 0 | 112.7 | D59 P95 | D59-F62 VanDerWaalsContact O-CB 3.31Å; D59-F62 WeakPolarHBondContact O-CB 3.11Å; D59-F62 WeakPolarHBondContact O-CD2 3.33Å; D59-F62 PolarHBondContact O-N 3.44Å; F62-P95 HydrophobicContact CD1-CG 4.25Å |
| 63 | K | 97.1 | Very high | 97.7 | Very high | 116 Ų | 116 | 52.5 Ų | 52.5 | 50% | 0.504 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -111.3 | 149.1 | 166.8 | -71.1 | -169.7 | -176.8 | 126.9 | 0 | 111.4 | P57 D59 Y60 P61 | P57-K63 HydrophobicContact CB-CB 4.42Å; P57-K63 HydrophobicContact CG-CB 3.76Å; D59-K63 WeakPolarHBondContact OD1-CB 3.39Å; D59-K63 WeakPolarHBondContact OD2-CD 3.47Å; D59-K63 WeakPolarHBondContact OD2-CE 3.34Å; D59-K63 WeakPolarHBondContact OD2-CG 3.48Å; D59-K63 IonicContact OD2-NZ 2.71Å; D59-K63 PolarHBondContact OD2-NZ 3.13Å; Y60-K63 WeakPolarHBondContact CD2-O 3.33Å; P61-K63 VanDerWaalsContact C-N 3.29Å; P61-K63 PolarHBondContact O-N 3.3Å |
| 64 | P | 97.4 | Very high | 97.7 | Very high | 37 Ų | 37 | 52.6 Ų | 52.6 | 24% | 0.24 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 153.7 | 176.7 | 25.4 | -32.6 | 0 | 0 | 0 | 111.8 | P57 W93 | P57-P64 WeakPolarHBondContact CD-O 3.46Å; P57-P64 WeakPolarHBondContact CG-O 3.26Å; P64-W93 VanDerWaalsContact CA-CE2 3.47Å; P64-W93 HydrophobicContact CB-CB 4.01Å; P64-W93 HydrophobicContact CB-CD2 3.49Å; P64-W93 VanDerWaalsContact CB-CD2 3.49Å; P64-W93 HydrophobicContact CB-CE3 3.75Å; P64-W93 HydrophobicContact CB-CG 3.59Å; P64-W93 HydrophobicContact CB-CZ3 4.46Å; P64-W93 HydrophobicContact CG-CB 4.17Å; P64-W93 HydrophobicContact CG-CD2 4.45Å; P64-W93 HydrophobicContact CG-CG 4.05Å |
| 65 | P | 97.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 148.9 | 166.4 | 32.6 | -30.2 | 0 | 0 | 0 | 109.6 | I54 H55 F56 Y60 V67 W93 | I54-P65 HydrophobicContact CG2-CB 3.77Å; I54-P65 HydrophobicContact CG2-CG 4.37Å; H55-P65 CarbonylContact O-C 3.54Å; H55-P65 VanDerWaalsContact O-CA 3.32Å; H55-P65 WeakPolarHBondContact O-CA 3.18Å; F56-P65 HydrophobicContact CD1-CB 4.02Å; F56-P65 HydrophobicContact CE1-CB 4.26Å; Y60-P65 HydrophobicContact CE2-CG 4.33Å; P65-V67 HydrophobicContact CB-CG2 4.46Å; P65-V67 HydrophobicContact CG-CG2 4.17Å; P65-V67 PolarHBondContact O-N 2.86Å; P65-W93 VanDerWaalsContact CD-CH2 3.48Å; P65-W93 HydrophobicContact CG-CH2 4.32Å; P65-W93 HydrophobicContact CG-CZ3 4.4Å |
| 66 | K | 98.1 | Very high | 97.7 | Very high | 166 Ų | 166 | 48.6 Ų | 48.6 | 72% | 0.722 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 116.2 | 169.5 | -65.7 | -178.6 | 179.9 | 178.5 | 0 | 108.3 | I54 H55 | I54-K66 CarbonylContact C-O 3.3Å; I54-K66 WeakPolarHBondContact CA-O 3.36Å; H55-K66 HydrophobicContact CB-CB 4.35Å; H55-K66 PolarHBondContact N-O 3.44Å; H55-K66 PolarHBondContact O-N 3.32Å |
| 67 | V | 98.5 | Very high | 97.7 | Very high | 15 Ų | 15 | 48.1 Ų | 48.1 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.9 | 178.9 | -172.7 | 0 | 0 | 0 | 0 | 109.6 | L52 T53 I54 P65 I84 L89 V102 I106 | L52-V67 HydrophobicContact CD2-CG1 3.87Å; T53-V67 WeakPolarHBondContact O-CA 3.32Å; I54-V67 HydrophobicContact CG1-CG1 4.23Å; I54-V67 HydrophobicContact CG1-CG2 4.17Å; I54-V67 HydrophobicContact CG2-CG2 4.26Å; P65-V67 HydrophobicContact CB-CG2 4.46Å; P65-V67 HydrophobicContact CG-CG2 4.17Å; P65-V67 PolarHBondContact O-N 2.86Å; V67-I84 HydrophobicContact CB-CD1 4.49Å; V67-I84 HydrophobicContact CG1-CD1 4Å; V67-L89 HydrophobicContact CB-CD1 4.1Å; V67-L89 HydrophobicContact CB-CD2 4.35Å; V67-L89 HydrophobicContact CG2-CD2 3.88Å; V67-V102 HydrophobicContact CG2-CG1 4.15Å; V67-I106 HydrophobicContact CG1-CD1 3.91Å |
| 68 | A | 98.4 | Very high | 97.8 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 21% | 0.207 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 146.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L52 T53 G82 | L52-A68 CarbonylContact C-O 3.56Å; L52-A68 WeakPolarHBondContact CA-O 3.49Å; L52-A68 WeakPolarHBondContact CB-O 3.29Å; T53-A68 HydrophobicContact CG2-CB 4.23Å; T53-A68 PolarHBondContact N-O 2.89Å; T53-A68 PolarHBondContact O-N 2.87Å; A68-G82 CarbonylContact C-O 3.53Å; A68-G82 WeakPolarHBondContact CA-O 3.38Å; A68-G82 WeakPolarHBondContact CB-O 3.5Å |
| 69 | F | 98.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 4% | 0.044 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 131.3 | 169.6 | -81.4 | -103.2 | 0 | 0 | 0 | 110.5 | F50 L52 I73 I78 G82 I84 I106 L110 | F50-F69 HydrophobicContact CB-CD1 4.13Å; F50-F69 HydrophobicContact CB-CE1 3.76Å; F50-F69 HydrophobicContact CD1-CD1 4.42Å; F50-F69 HydrophobicContact CD1-CE1 4.23Å; F50-F69 HydrophobicContact CG-CE1 4.17Å; L52-F69 HydrophobicContact CD1-CD1 4.37Å; L52-F69 HydrophobicContact CD1-CE1 4.14Å; L52-F69 HydrophobicContact CD1-CZ 4.38Å; L52-F69 HydrophobicContact CD2-CD1 4.47Å; L52-F69 HydrophobicContact CD2-CD2 3.82Å; L52-F69 HydrophobicContact CD2-CE1 4.34Å; L52-F69 HydrophobicContact CD2-CE2 3.64Å; L52-F69 HydrophobicContact CD2-CG 4.23Å; L52-F69 HydrophobicContact CD2-CZ 3.92Å; L52-F69 HydrophobicContact CG-CD1 4.1Å; L52-F69 HydrophobicContact CG-CD2 4.2Å; L52-F69 HydrophobicContact CG-CE1 4.22Å; L52-F69 HydrophobicContact CG-CE2 4.3Å; L52-F69 HydrophobicContact CG-CG 4.1Å; L52-F69 HydrophobicContact CG-CZ 4.31Å; F69-I73 HydrophobicContact CD1-CG2 4.14Å; F69-I73 HydrophobicContact CE1-CD1 4.12Å; F69-I73 HydrophobicContact CE1-CG2 4.48Å; F69-I73 HydrophobicContact CG-CG2 4.3Å; F69-I78 HydrophobicContact CB-CG2 4.4Å; F69-I78 HydrophobicContact CD2-CD1 3.86Å; F69-I78 HydrophobicContact CD2-CG1 4.35Å; F69-I78 HydrophobicContact CD2-CG2 3.88Å; F69-I78 HydrophobicContact CE1-CD1 4.44Å; F69-I78 HydrophobicContact CE2-CD1 3.36Å; F69-I78 HydrophobicContact CE2-CG1 4.16Å; F69-I78 HydrophobicContact CG-CG2 4.27Å; F69-I78 HydrophobicContact CZ-CD1 3.7Å; F69-G82 PolarHBondContact N-O 2.85Å; F69-G82 WeakPolarHBondContact O-CA 3.14Å; F69-I84 HydrophobicContact CD2-CD1 3.72Å; F69-I84 HydrophobicContact CD2-CG1 3.83Å; F69-I84 HydrophobicContact CE2-CD1 3.62Å; F69-I84 HydrophobicContact CE2-CG1 3.99Å; F69-I106 HydrophobicContact CE2-CG2 3.81Å; F69-I106 HydrophobicContact CZ-CG2 3.73Å; F69-L110 HydrophobicContact CZ-CD2 4.29Å |
| 70 | T | 98.2 | Very high | 97.8 | Very high | 83 Ų | 83 | 45.3 Ų | 45.3 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -94.3 | -29.4 | 167 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | F51 T53 | F51-T70 WeakPolarHBondContact CB-OG1 3.39Å; F51-T70 PolarHBondContact O-N 3.31Å; F51-T70 PolarHBondContact O-OG1 2.96Å; T53-T70 HydrophobicContact CG2-CG2 4.05Å |
| 71 | T | 98.3 | Very high | 97.7 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -78.1 | 131.7 | 169.6 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | F50 F51 Y145 A146 | F50-T71 HydrophobicContact CD1-CG2 3.78Å; F50-T71 HydrophobicContact CE1-CG2 4.34Å; F51-T71 WeakPolarHBondContact CD2-OG1 3.38Å; F51-T71 PolarHBondContact N-OG1 3.37Å; F51-T71 PolarHBondContact O-N 3.38Å; T71-Y145 VanDerWaalsContact CG2-O 3.3Å; T71-Y145 WeakPolarHBondContact CG2-O 3.48Å; T71-A146 HydrophobicContact CG2-CB 3.86Å |
| 72 | K | 98.1 | Very high | 97.7 | Very high | 118 Ų | 118 | 50.8 Ų | 50.8 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | trans | -65.3 | 136.9 | 175.2 | -69.2 | -178.9 | 179.6 | 178.3 | 0 | 110.6 | W141 Y145 | K72-W141 HydrophobicContact CB-CE3 4.29Å; K72-W141 HydrophobicContact CB-CZ3 4.09Å; K72-Y145 HydrophobicContact CB-CD1 4.27Å; K72-Y145 HydrophobicContact CB-CD2 3.88Å; K72-Y145 HydrophobicContact CB-CE2 4.36Å; K72-Y145 HydrophobicContact CB-CG 3.83Å; K72-Y145 HydrophobicContact CD-CD1 4.1Å; K72-Y145 HydrophobicContact CD-CE1 3.92Å; K72-Y145 HydrophobicContact CD-CE2 4.43Å; K72-Y145 HydrophobicContact CD-CG 4.45Å | ||
| 73 | I | 98.5 | Very high | 97.8 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | trans | -142.1 | 143.8 | -178.8 | -170 | 171.1 | 0 | 0 | 0 | 110.5 | Y45 F50 F69 H75 I78 L110 | Y45-I73 HydrophobicContact CD1-CD1 3.86Å; Y45-I73 HydrophobicContact CD1-CG1 4.02Å; Y45-I73 HydrophobicContact CE1-CD1 3.67Å; Y45-I73 HydrophobicContact CE1-CG1 3.56Å; F50-I73 HydrophobicContact CD1-CB 4.29Å; F50-I73 HydrophobicContact CD1-CD1 3.95Å; F50-I73 HydrophobicContact CD1-CG1 4.33Å; F50-I73 HydrophobicContact CE1-CB 4.07Å; F50-I73 HydrophobicContact CE1-CD1 3.7Å; F50-I73 HydrophobicContact CE1-CG1 3.81Å; F50-I73 HydrophobicContact CZ-CD1 4.19Å; F50-I73 HydrophobicContact CZ-CG1 4.49Å; F69-I73 HydrophobicContact CD1-CG2 4.14Å; F69-I73 HydrophobicContact CE1-CD1 4.12Å; F69-I73 HydrophobicContact CE1-CG2 4.48Å; F69-I73 HydrophobicContact CG-CG2 4.3Å; I73-H75 HydrophobicContact CD1-CB 4.5Å; I73-H75 HydrophobicContact CG1-CB 4.31Å; I73-I78 HydrophobicContact CD1-CD1 4.24Å; I73-I78 HydrophobicContact CG2-CB 3.97Å; I73-I78 HydrophobicContact CG2-CD1 3.86Å; I73-I78 HydrophobicContact CG2-CG2 3.64Å; I73-L110 HydrophobicContact CD1-CD2 3.5Å; I73-L110 VanDerWaalsContact CD1-CD2 3.5Å | ||
| 74 | Y | 98.3 | Very high | 97.8 | Very high | 29 Ų | 29 | 41 Ų | 41 | 11% | 0.114 | 23% | 0.227 | C | C | . | . | trans | -96.8 | 100 | 173.5 | -172.2 | -94.7 | 0 | 0 | 0 | 109 | Y45 I123 Y134 L137 A138 W141 | Y45-Y74 PolarHBondContact OH-O 3.42Å; Y74-I123 HydrophobicContact CD1-CD1 4.45Å; Y74-I123 HydrophobicContact CD1-CG2 4.11Å; Y74-I123 HydrophobicContact CD2-CD1 3.64Å; Y74-I123 HydrophobicContact CD2-CG1 4.16Å; Y74-I123 HydrophobicContact CE1-CB 4.49Å; Y74-I123 HydrophobicContact CE1-CD1 4.43Å; Y74-I123 HydrophobicContact CE1-CG1 4.23Å; Y74-I123 HydrophobicContact CE1-CG2 3.69Å; Y74-I123 HydrophobicContact CE2-CD1 3.6Å; Y74-I123 HydrophobicContact CE2-CG1 3.59Å; Y74-I123 HydrophobicContact CG-CD1 4.08Å; Y74-Y134 HydrophobicContact CD1-CD2 4.23Å; Y74-Y134 HydrophobicContact CD1-CE2 4.12Å; Y74-Y134 AromaticContact CE1-CD2 3.78Å; Y74-Y134 HydrophobicContact CE1-CD2 3.78Å; Y74-Y134 HydrophobicContact CE1-CE2 4.08Å; Y74-L137 HydrophobicContact CD1-CB 4.13Å; Y74-L137 HydrophobicContact CE1-CB 3.83Å; Y74-L137 HydrophobicContact CE1-CD1 4.28Å; Y74-A138 HydrophobicContact CD1-CB 4.13Å; Y74-W141 HydrophobicContact CD2-CD2 4.35Å; Y74-W141 HydrophobicContact CD2-CZ2 4.32Å; Y74-W141 HydrophobicContact CG-CG 4.45Å | ||
| 75 | H | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -153.6 | 138.9 | -174.7 | -173.1 | -81.8 | 0 | 0 | 0 | 110.3 | Y45 I73 N77 I78 L109 P113 | Y45-H75 AromaticContact CZ-CD2 3.89Å; Y45-H75 PolarHBondContact OH-CD2 2.87Å; Y45-H75 VanDerWaalsContact OH-CD2 3.22Å; I73-H75 HydrophobicContact CD1-CB 4.5Å; I73-H75 HydrophobicContact CG1-CB 4.31Å; H75-N77 VanDerWaalsContact C-N 3.32Å; H75-N77 PolarHBondContact CE1-OD1 3.02Å; H75-N77 VanDerWaalsContact CE1-OD1 3.25Å; H75-N77 PolarHBondContact ND1-N 3.5Å; H75-N77 PolarHBondContact O-N 3.34Å; H75-I78 HydrophobicContact CB-CB 4.17Å; H75-I78 HydrophobicContact CB-CD1 3.97Å; H75-I78 HydrophobicContact CB-CG1 4.24Å; H75-I78 PolarHBondContact O-N 3.11Å; H75-L109 PolarHBondContact NE2-O 2.69Å; H75-P113 WeakPolarHBondContact NE2-CG 3.3Å |
| 76 | P | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -29.7 | -173.9 | 26.6 | -35.2 | 0 | 0 | 0 | 113.9 | P113 P118 L119 V120 I123 A124 | P76-P113 HydrophobicContact CG-CB 3.46Å; P76-P113 VanDerWaalsContact CG-CB 3.46Å; P76-P113 HydrophobicContact CG-CG 4.42Å; P76-P118 HydrophobicContact CB-CB 4.28Å; P76-P118 CarbonylContact O-C 3.58Å; P76-P118 WeakPolarHBondContact O-CA 3.24Å; P76-L119 PolarHBondContact O-N 2.93Å; P76-V120 PolarHBondContact O-N 2.91Å; P76-I123 HydrophobicContact CB-CB 4.33Å; P76-I123 HydrophobicContact CB-CG2 4.02Å; P76-I123 HydrophobicContact CG-CG2 4.46Å; P76-A124 HydrophobicContact CB-CB 3.84Å |
| 77 | N | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.011 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 7.2 | 178.7 | -50.5 | 97 | 0 | 0 | 0 | 114.3 | H75 C85 L109 N114 D117 L119 | H75-N77 VanDerWaalsContact C-N 3.32Å; H75-N77 PolarHBondContact CE1-OD1 3.02Å; H75-N77 VanDerWaalsContact CE1-OD1 3.25Å; H75-N77 PolarHBondContact ND1-N 3.5Å; H75-N77 PolarHBondContact O-N 3.34Å; N77-C85 HydrophobicContact CB-CB 4.39Å; N77-C85 PolarHBondContact O-N 3.39Å; N77-L109 HydrophobicContact CB-CD1 4.18Å; N77-L109 HydrophobicContact CB-CD2 4Å; N77-L109 HydrophobicContact CB-CG 4.39Å; N77-N114 PolarHBondContact ND2-O 2.87Å; N77-N114 PolarHBondContact OD1-N 3.13Å; N77-N114 PolarHBondContact OD1-O 2.94Å; N77-D117 PolarHBondContact ND2-O 3.17Å; N77-L119 WeakPolarHBondContact O-CD1 3.33Å |
| 78 | I | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -129.3 | 121.3 | 178.7 | -53.5 | 163.6 | 0 | 0 | 0 | 108.8 | F69 I73 H75 S83 I84 L110 V120 | F69-I78 HydrophobicContact CB-CG2 4.4Å; F69-I78 HydrophobicContact CD2-CD1 3.86Å; F69-I78 HydrophobicContact CD2-CG1 4.35Å; F69-I78 HydrophobicContact CD2-CG2 3.88Å; F69-I78 HydrophobicContact CE1-CD1 4.44Å; F69-I78 HydrophobicContact CE2-CD1 3.36Å; F69-I78 HydrophobicContact CE2-CG1 4.16Å; F69-I78 HydrophobicContact CG-CG2 4.27Å; F69-I78 HydrophobicContact CZ-CD1 3.7Å; I73-I78 HydrophobicContact CD1-CD1 4.24Å; I73-I78 HydrophobicContact CG2-CB 3.97Å; I73-I78 HydrophobicContact CG2-CD1 3.86Å; I73-I78 HydrophobicContact CG2-CG2 3.64Å; H75-I78 HydrophobicContact CB-CB 4.17Å; H75-I78 HydrophobicContact CB-CD1 3.97Å; H75-I78 HydrophobicContact CB-CG1 4.24Å; H75-I78 PolarHBondContact O-N 3.11Å; I78-S83 VanDerWaalsContact CA-O 3.29Å; I78-S83 WeakPolarHBondContact CA-O 3.16Å; I78-I84 HydrophobicContact CG1-CG1 4.43Å; I78-I84 HydrophobicContact CG1-CG2 4.41Å; I78-L110 HydrophobicContact CD1-CD2 3.9Å; I78-V120 WeakPolarHBondContact O-CG2 3.44Å |
| 79 | N | 96.6 | Very high | 97.1 | Very high | 43 Ų | 43 | 36.6 Ų | 36.6 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | trans | -87.6 | 176 | -178.9 | 72.6 | 13.1 | 0 | 0 | 0 | 112.7 | N81 G82 S83 L119 V120 | N79-N81 PolarHBondContact O-N 2.82Å; N79-N81 VanDerWaalsContact O-N 3.13Å; N79-N81 PolarHBondContact OD1-N 2.87Å; N79-N81 VanDerWaalsContact OD1-N 3.07Å; N79-G82 WeakPolarHBondContact O-CA 3.48Å; N79-G82 PolarHBondContact O-N 2.97Å; N79-G82 PolarHBondContact OD1-N 2.93Å; N79-S83 PolarHBondContact N-O 2.86Å; N79-S83 VanDerWaalsContact N-O 3.11Å; N79-S83 WeakPolarHBondContact OD1-CB 3.4Å; N79-S83 PolarHBondContact OD1-N 3.17Å; N79-L119 HydrophobicContact CB-CB 4.2Å; N79-L119 HydrophobicContact CB-CD1 4.37Å; N79-V120 HydrophobicContact CB-CG2 4.12Å | ||
| 80 | S | 95.2 | Very high | 96.9 | Very high | 110 Ų | 110 | 42.9 Ų | 42.9 | 77% | 0.769 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.5 | -179.6 | 58.8 | 0 | 0 | 0 | 0 | 114.8 | G82 | S80-G82 VanDerWaalsContact C-N 3.27Š|
| 81 | N | 96.3 | Very high | 96.7 | Very high | 127 Ų | 127 | 43.7 Ų | 43.7 | 68% | 0.679 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 4.6 | 176.1 | -61.1 | -14.8 | 0 | 0 | 0 | 111.8 | N79 S83 | N79-N81 PolarHBondContact O-N 2.82Å; N79-N81 VanDerWaalsContact O-N 3.13Å; N79-N81 PolarHBondContact OD1-N 2.87Å; N79-N81 VanDerWaalsContact OD1-N 3.07Å; N81-S83 VanDerWaalsContact C-N 3.26Å; N81-S83 PolarHBondContact O-N 2.82Å |
| 82 | G | 97.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | trans | 76.3 | 6.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A68 F69 N79 S80 | A68-G82 CarbonylContact C-O 3.53Å; A68-G82 WeakPolarHBondContact CA-O 3.38Å; A68-G82 WeakPolarHBondContact CB-O 3.5Å; F69-G82 PolarHBondContact N-O 2.85Å; F69-G82 WeakPolarHBondContact O-CA 3.14Å; N79-G82 WeakPolarHBondContact O-CA 3.48Å; N79-G82 PolarHBondContact O-N 2.97Å; N79-G82 PolarHBondContact OD1-N 2.93Å; S80-G82 VanDerWaalsContact C-N 3.27Å | ||
| 83 | S | 97.5 | Very high | 96.6 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 34% | 0.336 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -66.6 | 141.7 | 176.2 | -55.1 | 0 | 0 | 0 | 0 | 110 | I78 N79 N81 L119 | I78-S83 VanDerWaalsContact CA-O 3.29Å; I78-S83 WeakPolarHBondContact CA-O 3.16Å; N79-S83 PolarHBondContact N-O 2.86Å; N79-S83 VanDerWaalsContact N-O 3.11Å; N79-S83 WeakPolarHBondContact OD1-CB 3.4Å; N79-S83 PolarHBondContact OD1-N 3.17Å; N81-S83 VanDerWaalsContact C-N 3.26Å; N81-S83 PolarHBondContact O-N 2.82Å; S83-L119 WeakPolarHBondContact O-CD1 3.24Å |
| 84 | I | 97.6 | Very high | 96.6 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 5% | 0.046 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -112 | 131.8 | -175.6 | -49.1 | 172.4 | 0 | 0 | 0 | 108.7 | L52 V67 F69 I78 L86 L89 I106 L109 | L52-I84 HydrophobicContact CD2-CD1 4.13Å; V67-I84 HydrophobicContact CB-CD1 4.49Å; V67-I84 HydrophobicContact CG1-CD1 4Å; F69-I84 HydrophobicContact CD2-CD1 3.72Å; F69-I84 HydrophobicContact CD2-CG1 3.83Å; F69-I84 HydrophobicContact CE2-CD1 3.62Å; F69-I84 HydrophobicContact CE2-CG1 3.99Å; I78-I84 HydrophobicContact CG1-CG1 4.43Å; I78-I84 HydrophobicContact CG1-CG2 4.41Å; I84-L86 HydrophobicContact CG2-CB 3.88Å; I84-L86 PolarHBondContact O-N 3.4Å; I84-L89 HydrophobicContact CB-CD1 4.25Å; I84-L89 HydrophobicContact CD1-CD1 4.39Å; I84-I106 HydrophobicContact CD1-CD1 3.73Å; I84-I106 HydrophobicContact CD1-CG1 4.16Å; I84-L109 HydrophobicContact CG2-CD2 3.78Å |
| 85 | C | 95.6 | Very high | 96.5 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 8% | 0.081 | 27% | 0.266 | C | S | . | . | trans | -90.5 | 97.8 | 162.9 | -163.5 | 0 | 0 | 0 | 0 | 108.6 | N77 D117 L119 | N77-C85 HydrophobicContact CB-CB 4.39Å; N77-C85 PolarHBondContact O-N 3.39Å; C85-D117 PolarHBondContact SG-OD2 3.42Å; C85-L119 HydrophobicContact CB-CD1 4.08Å; C85-L119 HydrophobicContact CB-CD2 3.82Å; C85-L119 HydrophobicContact CB-CG 3.62Å | ||
| 86 | L | 95.2 | Very high | 96.4 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | trans | -141 | 124.6 | 175.2 | -175.7 | 65 | 0 | 0 | 0 | 106.9 | I84 I88 L89 I106 L109 | I84-L86 HydrophobicContact CG2-CB 3.88Å; I84-L86 PolarHBondContact O-N 3.4Å; L86-I88 VanDerWaalsContact C-N 3.31Å; L86-I88 HydrophobicContact CD1-CG1 4.46Å; L86-I88 HydrophobicContact CD2-CD1 3.99Å; L86-I88 HydrophobicContact CD2-CG1 3.64Å; L86-I88 HydrophobicContact CG-CG1 3.66Å; L86-I88 PolarHBondContact O-N 3.12Å; L86-L89 HydrophobicContact CB-CD1 4.19Å; L86-L89 HydrophobicContact CB-CG 4.37Å; L86-L89 HydrophobicContact CD2-CD1 4.32Å; L86-L89 HydrophobicContact CD2-CG 4.33Å; L86-L89 WeakPolarHBondContact O-CB 3.47Å; L86-L89 PolarHBondContact O-N 2.93Å; L86-I106 HydrophobicContact CD2-CG1 3.83Å; L86-L109 HydrophobicContact CD1-CD2 4.46Å | ||
| 87 | D | 94.5 | Very high | 96.4 | Very high | 81 Ų | 81 | 52.1 Ų | 52.1 | 43% | 0.433 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -60 | -37.9 | -172.7 | 61.8 | -18.9 | 0 | 0 | 0 | 113.1 | L89 R90 S91 Q92 | D87-L89 PolarHBondContact O-N 3.43Å; D87-R90 CarbonylContact O-C 3.57Å; D87-R90 VanDerWaalsContact O-C 3.3Å; D87-R90 WeakPolarHBondContact O-CA 3.46Å; D87-R90 PolarHBondContact O-N 2.88Å; D87-S91 PolarHBondContact O-N 2.74Å; D87-Q92 HydrophobicContact CB-CB 4.23Å; D87-Q92 HydrophobicContact CB-CG 3.9Å; D87-Q92 PolarHBondContact O-N 2.84Å |
| 88 | I | 95.8 | Very high | 96.3 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.108 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -65.9 | -19.6 | 176.9 | 63.7 | 154.2 | 0 | 0 | 0 | 112.9 | L86 Q92 W93 L97 V102 S105 | L86-I88 VanDerWaalsContact C-N 3.31Å; L86-I88 HydrophobicContact CD1-CG1 4.46Å; L86-I88 HydrophobicContact CD2-CD1 3.99Å; L86-I88 HydrophobicContact CD2-CG1 3.64Å; L86-I88 HydrophobicContact CG-CG1 3.66Å; L86-I88 PolarHBondContact O-N 3.12Å; I88-Q92 HydrophobicContact CG2-CB 4.33Å; I88-W93 VanDerWaalsContact O-CA 3.28Å; I88-W93 WeakPolarHBondContact O-CA 3.34Å; I88-W93 VanDerWaalsContact O-CB 3.29Å; I88-W93 WeakPolarHBondContact O-CB 3.47Å; I88-W93 VanDerWaalsContact O-CE3 3.27Å; I88-W93 PolarHBondContact O-N 3.25Å; I88-L97 HydrophobicContact CB-CD1 3.82Å; I88-L97 HydrophobicContact CG2-CD1 4.12Å; I88-V102 HydrophobicContact CD1-CB 4.44Å; I88-V102 HydrophobicContact CD1-CG2 4.02Å; I88-S105 WeakPolarHBondContact CD1-OG 3.35Å |
| 89 | L | 95.7 | Very high | 96.2 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -85.8 | 2.4 | 171.9 | -65.1 | 176.7 | 0 | 0 | 0 | 112.4 | V67 I84 L86 D87 V102 | V67-L89 HydrophobicContact CB-CD1 4.1Å; V67-L89 HydrophobicContact CB-CD2 4.35Å; V67-L89 HydrophobicContact CG2-CD2 3.88Å; I84-L89 HydrophobicContact CB-CD1 4.25Å; I84-L89 HydrophobicContact CD1-CD1 4.39Å; L86-L89 HydrophobicContact CB-CD1 4.19Å; L86-L89 HydrophobicContact CB-CG 4.37Å; L86-L89 HydrophobicContact CD2-CD1 4.32Å; L86-L89 HydrophobicContact CD2-CG 4.33Å; L86-L89 WeakPolarHBondContact O-CB 3.47Å; L86-L89 PolarHBondContact O-N 2.93Å; D87-L89 PolarHBondContact O-N 3.43Å; L89-V102 HydrophobicContact CD2-CG1 3.77Å; L89-V102 HydrophobicContact CD2-CG2 4.22Å |
| 90 | R | 93.6 | Very high | 96.2 | Very high | 141 Ų | 141 | 53.1 Ų | 53.1 | 53% | 0.532 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.7 | -109.2 | -173.7 | -59.6 | -175.5 | -177.2 | -162.4 | 3.2 | 111 | D87 W93 | D87-R90 CarbonylContact O-C 3.57Å; D87-R90 VanDerWaalsContact O-C 3.3Å; D87-R90 WeakPolarHBondContact O-CA 3.46Å; D87-R90 PolarHBondContact O-N 2.88Å; R90-W93 PolarHBondContact O-N 3.39Å |
| 91 | S | 94.1 | Very high | 96.3 | Very high | 100 Ų | 100 | 52.8 Ų | 52.8 | 70% | 0.699 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -29.4 | -172 | 46.5 | 0 | 0 | 0 | 0 | 113.3 | D87 | D87-S91 PolarHBondContact O-N 2.74Š|
| 92 | Q | 96.9 | Very high | 96.3 | Very high | 122 Ų | 122 | 46.8 Ų | 46.8 | 57% | 0.57 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 11.8 | -179.1 | -58.9 | -70.9 | 46.9 | 0 | 0 | 112.7 | D87 I88 S94 | D87-Q92 HydrophobicContact CB-CB 4.23Å; D87-Q92 HydrophobicContact CB-CG 3.9Å; D87-Q92 PolarHBondContact O-N 2.84Å; I88-Q92 HydrophobicContact CG2-CB 4.33Å; Q92-S94 PolarHBondContact O-N 3.32Å |
| 93 | W | 97.9 | Very high | 96.3 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 11% | 0.106 | 26% | 0.259 | C | S | . | . | trans | -63 | 133.4 | 172 | 178.6 | -100.6 | 0 | 0 | 0 | 110.2 | Y60 P61 P64 P65 I88 R90 L97 V102 | Y60-W93 HydrophobicContact CD2-CZ2 4.23Å; Y60-W93 AromaticContact CE2-CH2 3.69Å; Y60-W93 HydrophobicContact CE2-CH2 3.69Å; Y60-W93 AromaticContact CE2-CZ2 3.51Å; Y60-W93 HydrophobicContact CE2-CZ2 3.51Å; P61-W93 HydrophobicContact CB-CZ2 4.48Å; P61-W93 PolarHBondContact O-NE1 3.18Å; P64-W93 VanDerWaalsContact CA-CE2 3.47Å; P64-W93 HydrophobicContact CB-CB 4.01Å; P64-W93 HydrophobicContact CB-CD2 3.49Å; P64-W93 VanDerWaalsContact CB-CD2 3.49Å; P64-W93 HydrophobicContact CB-CE3 3.75Å; P64-W93 HydrophobicContact CB-CG 3.59Å; P64-W93 HydrophobicContact CB-CZ3 4.46Å; P64-W93 HydrophobicContact CG-CB 4.17Å; P64-W93 HydrophobicContact CG-CD2 4.45Å; P64-W93 HydrophobicContact CG-CG 4.05Å; P65-W93 VanDerWaalsContact CD-CH2 3.48Å; P65-W93 HydrophobicContact CG-CH2 4.32Å; P65-W93 HydrophobicContact CG-CZ3 4.4Å; I88-W93 VanDerWaalsContact O-CA 3.28Å; I88-W93 WeakPolarHBondContact O-CA 3.34Å; I88-W93 VanDerWaalsContact O-CB 3.29Å; I88-W93 WeakPolarHBondContact O-CB 3.47Å; I88-W93 VanDerWaalsContact O-CE3 3.27Å; I88-W93 PolarHBondContact O-N 3.25Å; R90-W93 PolarHBondContact O-N 3.39Å; W93-L97 HydrophobicContact CD2-CD1 4.49Å; W93-L97 HydrophobicContact CE3-CB 4.12Å; W93-L97 HydrophobicContact CE3-CD1 3.89Å; W93-L97 HydrophobicContact CH2-CB 4.09Å; W93-L97 HydrophobicContact CZ3-CB 3.78Å; W93-L97 HydrophobicContact CZ3-CD1 4.3Å; W93-V102 HydrophobicContact CZ3-CG2 3.83Å | ||
| 94 | S | 97.4 | Very high | 96.2 | Very high | 52 Ų | 52 | 48 Ų | 48 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | trans | -131.6 | 143.3 | 171.8 | 170.3 | 0 | 0 | 0 | 0 | 109.4 | Q92 A96 L97 | Q92-S94 PolarHBondContact O-N 3.32Å; S94-A96 PolarHBondContact O-N 3.06Å; S94-A96 PolarHBondContact OG-N 3.3Å; S94-L97 WeakPolarHBondContact O-CB 3.46Å; S94-L97 PolarHBondContact O-N 2.94Å | ||
| 95 | P | 96.8 | Very high | 96.2 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -16.3 | 172.9 | -27.9 | 36.1 | 0 | 0 | 0 | 115.1 | R5 P61 F62 | R5-P95 PolarHBondContact NH1-O 2.9Å; R5-P95 PolarHBondContact NH2-O 3Å; P61-P95 HydrophobicContact CB-CB 4.3Å; P61-P95 HydrophobicContact CG-CB 4.08Å; P61-P95 WeakPolarHBondContact O-CA 3.38Å; F62-P95 HydrophobicContact CD1-CG 4.25Å |
| 96 | A | 96.5 | Very high | 96.3 | Very high | 67 Ų | 67 | 49 Ų | 49 | 55% | 0.554 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -11.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | S94 K101 | S94-A96 PolarHBondContact O-N 3.06Å; S94-A96 PolarHBondContact OG-N 3.3Å; A96-K101 PolarHBondContact O-NZ 3.29Å |
| 97 | L | 97.4 | Very high | 96.3 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 16% | 0.157 | 27% | 0.271 | C | S | . | . | trans | -76.6 | 152.4 | 171.4 | -63.7 | 176.3 | 0 | 0 | 0 | 110.4 | R5 I88 W93 S94 K101 | R5-L97 PolarHBondContact NH2-O 3.12Å; I88-L97 HydrophobicContact CB-CD1 3.82Å; I88-L97 HydrophobicContact CG2-CD1 4.12Å; W93-L97 HydrophobicContact CD2-CD1 4.49Å; W93-L97 HydrophobicContact CE3-CB 4.12Å; W93-L97 HydrophobicContact CE3-CD1 3.89Å; W93-L97 HydrophobicContact CH2-CB 4.09Å; W93-L97 HydrophobicContact CZ3-CB 3.78Å; W93-L97 HydrophobicContact CZ3-CD1 4.3Å; S94-L97 WeakPolarHBondContact O-CB 3.46Å; S94-L97 PolarHBondContact O-N 2.94Å; L97-K101 HydrophobicContact CD2-CB 4.44Å; L97-K101 HydrophobicContact CD2-CD 3.93Å | ||
| 98 | T | 96.3 | Very high | 96.3 | Very high | 38 Ų | 38 | 48.2 Ų | 48.2 | 23% | 0.233 | 27% | 0.273 | C | S | . | . | trans | -128.5 | 164.1 | -178.6 | 60.4 | 0 | 0 | 0 | 0 | 109.6 | E9 S100 K101 V102 | E9-T98 HydrophobicContact CG-CG2 4.41Å; E9-T98 WeakPolarHBondContact OE2-CA 3.46Å; E9-T98 WeakPolarHBondContact OE2-CB 3.43Å; T98-S100 PolarHBondContact O-N 3.45Å; T98-K101 PolarHBondContact O-N 3.16Å; T98-K101 VanDerWaalsContact O-N 3.13Å; T98-K101 PolarHBondContact OG1-N 2.97Å; T98-V102 WeakPolarHBondContact O-CG2 3.5Å; T98-V102 PolarHBondContact O-N 2.93Å | ||
| 99 | V | 97 | Very high | 96.4 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.4 | -41.4 | 172.3 | 174.8 | 0 | 0 | 0 | 0 | 111 | E9 L13 A23 W33 I54 F56 K101 V102 L103 | E9-V99 PolarHBondContact OE2-N 3.39Å; L13-V99 HydrophobicContact CD1-CB 4.19Å; L13-V99 HydrophobicContact CD1-CG1 4.04Å; A23-V99 HydrophobicContact CB-CG1 4.23Å; W33-V99 HydrophobicContact CE3-CG1 4.24Å; W33-V99 HydrophobicContact CE3-CG2 4.33Å; W33-V99 HydrophobicContact CZ3-CB 4.17Å; W33-V99 HydrophobicContact CZ3-CG1 4.06Å; W33-V99 HydrophobicContact CZ3-CG2 3.89Å; I54-V99 HydrophobicContact CD1-CG1 3.76Å; F56-V99 HydrophobicContact CE1-CG2 3.62Å; F56-V99 HydrophobicContact CZ-CG2 3.62Å; V99-K101 PolarHBondContact O-N 2.97Å; V99-V102 WeakPolarHBondContact O-CB 3.35Å; V99-V102 PolarHBondContact O-N 3Å; V99-L103 HydrophobicContact CG1-CD1 3.97Å; V99-L103 HydrophobicContact CG1-CG 4.24Å; V99-L103 WeakPolarHBondContact O-CG 3.4Å; V99-L103 PolarHBondContact O-N 3.17Å |
| 100 | S | 96 | Very high | 96.4 | Very high | 29 Ų | 29 | 47 Ų | 47 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.6 | -48.3 | 176.4 | 178 | 0 | 0 | 0 | 0 | 112.1 | P18 T98 V102 L103 L104 | P18-S100 WeakPolarHBondContact CG-OG 3.5Å; T98-S100 PolarHBondContact O-N 3.45Å; S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 3.36Å; S100-L103 PolarHBondContact O-N 2.82Å; S100-L104 WeakPolarHBondContact O-CG 3.29Å; S100-L104 PolarHBondContact O-N 3.11Å |
| 101 | K | 96 | Very high | 96.5 | Very high | 102 Ų | 102 | 43 Ų | 43 | 44% | 0.443 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 176.2 | -70.3 | 178.3 | -179.1 | 175.4 | 0 | 112.1 | A96 L97 T98 V99 L104 S105 | A96-K101 PolarHBondContact O-NZ 3.29Å; L97-K101 HydrophobicContact CD2-CB 4.44Å; L97-K101 HydrophobicContact CD2-CD 3.93Å; T98-K101 PolarHBondContact O-N 3.16Å; T98-K101 VanDerWaalsContact O-N 3.13Å; T98-K101 PolarHBondContact OG1-N 2.97Å; V99-K101 PolarHBondContact O-N 2.97Å; K101-L104 PolarHBondContact O-N 3.45Å; K101-S105 WeakPolarHBondContact O-CB 3.48Å; K101-S105 PolarHBondContact O-N 3.43Å; K101-S105 PolarHBondContact O-OG 3.36Å; K101-S105 VanDerWaalsContact O-OG 3.12Å |
| 102 | V | 97.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 176 | 169 | 0 | 0 | 0 | 0 | 111.1 | V67 I88 L89 W93 T98 V99 S100 S105 I106 | V67-V102 HydrophobicContact CG2-CG1 4.15Å; I88-V102 HydrophobicContact CD1-CB 4.44Å; I88-V102 HydrophobicContact CD1-CG2 4.02Å; L89-V102 HydrophobicContact CD2-CG1 3.77Å; L89-V102 HydrophobicContact CD2-CG2 4.22Å; W93-V102 HydrophobicContact CZ3-CG2 3.83Å; T98-V102 WeakPolarHBondContact O-CG2 3.5Å; T98-V102 PolarHBondContact O-N 2.93Å; V99-V102 WeakPolarHBondContact O-CB 3.35Å; V99-V102 PolarHBondContact O-N 3Å; S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 3.36Å; V102-S105 PolarHBondContact O-N 3.26Å; V102-I106 HydrophobicContact CG1-CD1 3.89Å; V102-I106 WeakPolarHBondContact O-CG1 3.38Å; V102-I106 PolarHBondContact O-N 3Å |
| 103 | L | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 179.3 | -66.2 | 174.1 | 0 | 0 | 0 | 111.6 | C21 A23 A35 I37 I54 V99 S100 S105 I106 C107 | C21-L103 HydrophobicContact CB-CB 4.19Å; C21-L103 HydrophobicContact CB-CD1 4.25Å; A23-L103 HydrophobicContact CB-CD1 4.02Å; A35-L103 HydrophobicContact CB-CD1 4.22Å; A35-L103 HydrophobicContact CB-CD2 3.69Å; I37-L103 HydrophobicContact CD1-CD2 4.13Å; I37-L103 HydrophobicContact CG1-CD2 4.31Å; I54-L103 HydrophobicContact CD1-CD2 4.48Å; V99-L103 HydrophobicContact CG1-CD1 3.97Å; V99-L103 HydrophobicContact CG1-CG 4.24Å; V99-L103 WeakPolarHBondContact O-CG 3.4Å; V99-L103 PolarHBondContact O-N 3.17Å; S100-L103 PolarHBondContact O-N 2.82Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-S105 PolarHBondContact O-N 3.25Å; L103-I106 PolarHBondContact O-N 3.04Å; L103-I106 VanDerWaalsContact O-N 3.16Å; L103-C107 PolarHBondContact O-N 2.94Å; L103-C107 PolarHBondContact O-SG 3.3Å; L103-C107 VanDerWaalsContact O-SG 3.36Å |
| 104 | L | 95.7 | Very high | 96.3 | Very high | 80 Ų | 80 | 40.3 Ų | 40.3 | 42% | 0.419 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 175.3 | -70.4 | 173 | 0 | 0 | 0 | 112.3 | P18 S100 K101 I106 C107 S108 | P18-L104 HydrophobicContact CB-CD1 4.26Å; P18-L104 HydrophobicContact CB-CD2 3.75Å; P18-L104 HydrophobicContact CB-CG 3.85Å; S100-L104 WeakPolarHBondContact O-CG 3.29Å; S100-L104 PolarHBondContact O-N 3.11Å; K101-L104 PolarHBondContact O-N 3.45Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-C107 WeakPolarHBondContact O-CB 3.41Å; L104-C107 PolarHBondContact O-N 3.21Å; L104-S108 PolarHBondContact O-N 3.1Å |
| 105 | S | 96.2 | Very high | 96.1 | Very high | 41 Ų | 41 | 38.8 Ų | 38.8 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.5 | -35.8 | 175.1 | -66.7 | 0 | 0 | 0 | 0 | 112.5 | I88 K101 V102 L103 S108 L109 | I88-S105 WeakPolarHBondContact CD1-OG 3.35Å; K101-S105 WeakPolarHBondContact O-CB 3.48Å; K101-S105 PolarHBondContact O-N 3.43Å; K101-S105 PolarHBondContact O-OG 3.36Å; K101-S105 VanDerWaalsContact O-OG 3.12Å; V102-S105 PolarHBondContact O-N 3.26Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-S105 PolarHBondContact O-N 3.25Å; S105-S108 PolarHBondContact O-N 2.86Å; S105-L109 WeakPolarHBondContact O-CB 3.46Å; S105-L109 PolarHBondContact O-N 2.94Å |
| 106 | I | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.2 | -42 | 173.3 | -65.4 | 164.5 | 0 | 0 | 0 | 110.5 | I37 L52 V67 F69 I84 L86 V102 L103 L104 S108 L109 L110 | I37-I106 HydrophobicContact CD1-CB 3.91Å; I37-I106 HydrophobicContact CD1-CG2 3.53Å; L52-I106 HydrophobicContact CD2-CD1 3.98Å; L52-I106 HydrophobicContact CD2-CG2 4.41Å; V67-I106 HydrophobicContact CG1-CD1 3.91Å; F69-I106 HydrophobicContact CE2-CG2 3.81Å; F69-I106 HydrophobicContact CZ-CG2 3.73Å; I84-I106 HydrophobicContact CD1-CD1 3.73Å; I84-I106 HydrophobicContact CD1-CG1 4.16Å; L86-I106 HydrophobicContact CD2-CG1 3.83Å; V102-I106 HydrophobicContact CG1-CD1 3.89Å; V102-I106 WeakPolarHBondContact O-CG1 3.38Å; V102-I106 PolarHBondContact O-N 3Å; L103-I106 PolarHBondContact O-N 3.04Å; L103-I106 VanDerWaalsContact O-N 3.16Å; L104-I106 VanDerWaalsContact C-N 3.34Å; I106-S108 VanDerWaalsContact C-N 3.33Å; I106-S108 PolarHBondContact O-N 2.84Å; I106-L109 WeakPolarHBondContact O-CB 3.47Å; I106-L109 PolarHBondContact O-N 3.29Å; I106-L109 VanDerWaalsContact O-N 3.12Å; I106-L110 WeakPolarHBondContact O-CG 3.3Å; I106-L110 PolarHBondContact O-N 2.88Å |
| 107 | C | 96.2 | Very high | 95.7 | Very high | 16 Ų | 16 | 43.6 Ų | 43.6 | 11% | 0.108 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 174.2 | -69.5 | 0 | 0 | 0 | 0 | 112.2 | C21 I37 L103 L104 L109 L110 C111 | C21-C107 PolarHBondContact SG-SG 3.49Å; I37-C107 WeakPolarHBondContact CG2-SG 3.4Å; L103-C107 PolarHBondContact O-N 2.94Å; L103-C107 PolarHBondContact O-SG 3.3Å; L103-C107 VanDerWaalsContact O-SG 3.36Å; L104-C107 WeakPolarHBondContact O-CB 3.41Å; L104-C107 PolarHBondContact O-N 3.21Å; C107-L109 VanDerWaalsContact C-N 3.28Å; C107-L109 PolarHBondContact O-N 2.91Å; C107-L110 WeakPolarHBondContact O-CB 3.4Å; C107-L110 PolarHBondContact O-N 2.84Å; C107-C111 PolarHBondContact O-N 3.01Å |
| 108 | S | 95.4 | Very high | 95.6 | Very high | 67 Ų | 67 | 43.9 Ų | 43.9 | 47% | 0.469 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 174.2 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | L104 S105 I106 L110 C111 D112 | L104-S108 PolarHBondContact O-N 3.1Å; S105-S108 PolarHBondContact O-N 2.86Å; I106-S108 VanDerWaalsContact C-N 3.33Å; I106-S108 PolarHBondContact O-N 2.84Å; S108-L110 VanDerWaalsContact C-N 3.29Å; S108-L110 PolarHBondContact O-N 3.24Å; S108-C111 PolarHBondContact O-N 3Å; S108-D112 PolarHBondContact O-N 3.36Å |
| 109 | L | 96.4 | Very high | 95.5 | Very high | 15 Ų | 15 | 44.6 Ų | 44.6 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.1 | -36.4 | 176.8 | -174.8 | 66.9 | 0 | 0 | 0 | 112 | H75 N77 I84 L86 S105 I106 C107 C111 D112 P113 | H75-L109 PolarHBondContact NE2-O 2.69Å; N77-L109 HydrophobicContact CB-CD1 4.18Å; N77-L109 HydrophobicContact CB-CD2 4Å; N77-L109 HydrophobicContact CB-CG 4.39Å; I84-L109 HydrophobicContact CG2-CD2 3.78Å; L86-L109 HydrophobicContact CD1-CD2 4.46Å; S105-L109 WeakPolarHBondContact O-CB 3.46Å; S105-L109 PolarHBondContact O-N 2.94Å; I106-L109 WeakPolarHBondContact O-CB 3.47Å; I106-L109 PolarHBondContact O-N 3.29Å; I106-L109 VanDerWaalsContact O-N 3.12Å; C107-L109 VanDerWaalsContact C-N 3.28Å; C107-L109 PolarHBondContact O-N 2.91Å; L109-C111 VanDerWaalsContact C-N 3.34Å; L109-D112 CarbonylContact O-C 3.23Å; L109-D112 VanDerWaalsContact O-C 3.23Å; L109-D112 PolarHBondContact O-N 3.47Å; L109-P113 WeakPolarHBondContact O-CA 3.04Å |
| 110 | L | 96.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.9 | -35 | 175.5 | -64.1 | -174.6 | 0 | 0 | 0 | 112.7 | I37 P40 Y45 F69 I73 I78 I106 C107 S108 | I37-L110 HydrophobicContact CG2-CD1 4.01Å; P40-L110 HydrophobicContact CG-CB 4.26Å; Y45-L110 HydrophobicContact CD2-CB 3.93Å; Y45-L110 HydrophobicContact CD2-CD2 4.49Å; Y45-L110 HydrophobicContact CE2-CB 4.17Å; Y45-L110 HydrophobicContact CE2-CD2 4.32Å; Y45-L110 VanDerWaalsContact CE2-O 3.24Å; Y45-L110 WeakPolarHBondContact CE2-O 3.47Å; F69-L110 HydrophobicContact CZ-CD2 4.29Å; I73-L110 HydrophobicContact CD1-CD2 3.5Å; I73-L110 VanDerWaalsContact CD1-CD2 3.5Å; I78-L110 HydrophobicContact CD1-CD2 3.9Å; I106-L110 WeakPolarHBondContact O-CG 3.3Å; I106-L110 PolarHBondContact O-N 2.88Å; C107-L110 WeakPolarHBondContact O-CB 3.4Å; C107-L110 PolarHBondContact O-N 2.84Å; S108-L110 VanDerWaalsContact C-N 3.29Å; S108-L110 PolarHBondContact O-N 3.24Å |
| 111 | C | 94.8 | Very high | 95.6 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 39% | 0.385 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -74.3 | -43.9 | 174.5 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | P40 C107 S108 L109 P113 | P40-C111 WeakPolarHBondContact CB-SG 3.49Å; P40-C111 VanDerWaalsContact CG-SG 3.59Å; C107-C111 PolarHBondContact O-N 3.01Å; S108-C111 PolarHBondContact O-N 3Å; L109-C111 VanDerWaalsContact C-N 3.34Å; C111-P113 VanDerWaalsContact C-CD 3.49Å; C111-P113 VanDerWaalsContact O-CD 3.3Å; C111-P113 WeakPolarHBondContact O-CD 3.48Å |
| 112 | D | 95 | Very high | 95.7 | Very high | 112 Ų | 112 | 51.4 Ų | 51.4 | 60% | 0.599 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -123.2 | 78.8 | -173.3 | -60.9 | -54.2 | 0 | 0 | 0 | 110.8 | S108 L109 | S108-D112 PolarHBondContact O-N 3.36Å; L109-D112 CarbonylContact O-C 3.23Å; L109-D112 VanDerWaalsContact O-C 3.23Å; L109-D112 PolarHBondContact O-N 3.47Å |
| 113 | P | 96.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | trans | -58.4 | 146.8 | 175.8 | -21.4 | 29.3 | 0 | 0 | 0 | 111.8 | H75 P76 L109 C111 P115 Y127 | H75-P113 WeakPolarHBondContact NE2-CG 3.3Å; P76-P113 HydrophobicContact CG-CB 3.46Å; P76-P113 VanDerWaalsContact CG-CB 3.46Å; P76-P113 HydrophobicContact CG-CG 4.42Å; L109-P113 WeakPolarHBondContact O-CA 3.04Å; C111-P113 VanDerWaalsContact C-CD 3.49Å; C111-P113 VanDerWaalsContact O-CD 3.3Å; C111-P113 WeakPolarHBondContact O-CD 3.48Å; P113-P115 WeakPolarHBondContact O-CD 3.48Å; P113-Y127 HydrophobicContact CB-CE2 4.12Å; P113-Y127 HydrophobicContact CG-CD2 4.29Å; P113-Y127 HydrophobicContact CG-CE2 3.66Å | ||
| 114 | N | 94.6 | Very high | 95.7 | Very high | 69 Ų | 69 | 52.3 Ų | 52.3 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | trans | -100.6 | 91.9 | 173.8 | 179.6 | 0.6 | 0 | 0 | 0 | 110.7 | N77 D116 D117 | N77-N114 PolarHBondContact ND2-O 2.87Å; N77-N114 PolarHBondContact OD1-N 3.13Å; N77-N114 PolarHBondContact OD1-O 2.94Å; N114-D116 PolarHBondContact O-N 3.18Å; N114-D116 WeakPolarHBondContact OD1-CB 3.48Å; N114-D116 PolarHBondContact OD1-N 3.23Å; N114-D117 PolarHBondContact OD1-N 3.41Å | ||
| 115 | P | 93.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 54.8 Ų | 54.8 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -0.4 | -179.6 | 35.5 | -41.3 | 0 | 0 | 0 | 114.2 | P113 A124 Y127 K128 | P113-P115 WeakPolarHBondContact O-CD 3.48Å; P115-A124 HydrophobicContact CB-CB 4.14Å; P115-Y127 HydrophobicContact CB-CD1 3.83Å; P115-Y127 HydrophobicContact CB-CE1 4.34Å; P115-Y127 HydrophobicContact CG-CD1 3.83Å; P115-Y127 HydrophobicContact CG-CE1 3.87Å; P115-K128 HydrophobicContact CB-CD 3.97Å; P115-K128 HydrophobicContact CB-CG 3.89Å; P115-K128 HydrophobicContact CG-CD 4.32Å; P115-K128 HydrophobicContact CG-CG 4.1Å; P115-K128 PolarHBondContact O-NZ 3.37Å |
| 116 | D | 92.9 | Very high | 95.9 | Very high | 130 Ų | 130 | 54 Ų | 54 | 70% | 0.695 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -21.5 | 177.1 | -62.9 | -35.7 | 0 | 0 | 0 | 112.6 | N114 P118 K128 | N114-D116 PolarHBondContact O-N 3.18Å; N114-D116 WeakPolarHBondContact OD1-CB 3.48Å; N114-D116 PolarHBondContact OD1-N 3.23Å; D116-P118 VanDerWaalsContact C-CD 3.43Å; D116-K128 WeakPolarHBondContact OD1-CE 3.41Å; D116-K128 IonicContact OD1-NZ 2.72Å; D116-K128 PolarHBondContact OD1-NZ 2.74Å |
| 117 | D | 91.6 | Very high | 95.9 | Very high | 90 Ų | 90 | 55 Ų | 55 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -128.1 | 63.6 | 170.5 | -171.7 | 22.4 | 0 | 0 | 0 | 112.2 | N77 C85 N114 | N77-D117 PolarHBondContact ND2-O 3.17Å; C85-D117 PolarHBondContact SG-OD2 3.42Å; N114-D117 PolarHBondContact OD1-N 3.41Å |
| 118 | P | 94 | Very high | 96 | Very high | 37 Ų | 37 | 59.8 Ų | 59.8 | 24% | 0.24 | 32% | 0.323 | C | S | . | . | trans | -82.5 | 143.8 | -175.4 | 34.8 | -36.1 | 0 | 0 | 0 | 112.8 | P76 D116 V120 A124 | P76-P118 HydrophobicContact CB-CB 4.28Å; P76-P118 CarbonylContact O-C 3.58Å; P76-P118 WeakPolarHBondContact O-CA 3.24Å; D116-P118 VanDerWaalsContact C-CD 3.43Å; P118-V120 VanDerWaalsContact C-N 3.34Å; P118-A124 HydrophobicContact CB-CB 3.44Å; P118-A124 VanDerWaalsContact CB-CB 3.44Å; P118-A124 HydrophobicContact CG-CB 3.67Å | ||
| 119 | L | 95.8 | Very high | 96.1 | Very high | 53 Ų | 53 | 60 Ų | 60 | 28% | 0.277 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -78.5 | -23.5 | 162.7 | -66.9 | -175.6 | 0 | 0 | 0 | 112.4 | P76 N77 N79 S83 C85 | P76-L119 PolarHBondContact O-N 2.93Å; N77-L119 WeakPolarHBondContact O-CD1 3.33Å; N79-L119 HydrophobicContact CB-CB 4.2Å; N79-L119 HydrophobicContact CB-CD1 4.37Å; S83-L119 WeakPolarHBondContact O-CD1 3.24Å; C85-L119 HydrophobicContact CB-CD1 4.08Å; C85-L119 HydrophobicContact CB-CD2 3.82Å; C85-L119 HydrophobicContact CB-CG 3.62Å |
| 120 | V | 97.6 | Very high | 96.1 | Very high | 30 Ų | 30 | 62.6 Ų | 62.6 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | trans | -125.3 | 88.7 | -179.5 | -165.7 | 0 | 0 | 0 | 0 | 109 | P76 I78 N79 P118 E122 I123 A124 | P76-V120 PolarHBondContact O-N 2.91Å; I78-V120 WeakPolarHBondContact O-CG2 3.44Å; N79-V120 HydrophobicContact CB-CG2 4.12Å; P118-V120 VanDerWaalsContact C-N 3.34Å; V120-E122 PolarHBondContact O-N 3.42Å; V120-I123 HydrophobicContact CB-CB 4.22Å; V120-I123 HydrophobicContact CB-CD1 3.99Å; V120-I123 HydrophobicContact CB-CG1 4.08Å; V120-I123 HydrophobicContact CG1-CB 4.18Å; V120-I123 HydrophobicContact CG1-CD1 3.74Å; V120-I123 HydrophobicContact CG1-CG1 3.62Å; V120-I123 HydrophobicContact CG2-CD1 4.36Å; V120-I123 PolarHBondContact O-N 2.8Å; V120-I123 VanDerWaalsContact O-N 3.11Å; V120-A124 PolarHBondContact O-N 3.03Å; V120-A124 VanDerWaalsContact O-N 3.1Å | ||
| 121 | P | 97.4 | Very high | 96.1 | Very high | 90 Ų | 90 | 68.3 Ų | 68.3 | 58% | 0.584 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -55.6 | -33.8 | -176.4 | -28.5 | 36 | 0 | 0 | 0 | 114.1 | A124 H125 | P121-A124 PolarHBondContact O-N 3.26Å; P121-H125 WeakPolarHBondContact O-CB 3.32Å; P121-H125 PolarHBondContact O-N 2.84Å |
| 122 | E | 97.4 | Very high | 96.3 | Very high | 156 Ų | 156 | 73.3 Ų | 73.3 | 73% | 0.729 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.2 | -42.1 | 178.3 | -62.4 | 173.6 | -175.5 | 0 | 0 | 112.5 | V120 T126 | V120-E122 PolarHBondContact O-N 3.42Å; E122-T126 PolarHBondContact O-N 3.48Å; E122-T126 PolarHBondContact O-OG1 3.02Å |
| 123 | I | 98.1 | Very high | 96.4 | Very high | 16 Ų | 16 | 72.3 Ų | 72.3 | 8% | 0.082 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 176 | -60.6 | -179 | 0 | 0 | 0 | 109.5 | Y74 P76 V120 T126 Y127 Y134 | Y74-I123 HydrophobicContact CD1-CD1 4.45Å; Y74-I123 HydrophobicContact CD1-CG2 4.11Å; Y74-I123 HydrophobicContact CD2-CD1 3.64Å; Y74-I123 HydrophobicContact CD2-CG1 4.16Å; Y74-I123 HydrophobicContact CE1-CB 4.49Å; Y74-I123 HydrophobicContact CE1-CD1 4.43Å; Y74-I123 HydrophobicContact CE1-CG1 4.23Å; Y74-I123 HydrophobicContact CE1-CG2 3.69Å; Y74-I123 HydrophobicContact CE2-CD1 3.6Å; Y74-I123 HydrophobicContact CE2-CG1 3.59Å; Y74-I123 HydrophobicContact CG-CD1 4.08Å; P76-I123 HydrophobicContact CB-CB 4.33Å; P76-I123 HydrophobicContact CB-CG2 4.02Å; P76-I123 HydrophobicContact CG-CG2 4.46Å; V120-I123 HydrophobicContact CB-CB 4.22Å; V120-I123 HydrophobicContact CB-CD1 3.99Å; V120-I123 HydrophobicContact CB-CG1 4.08Å; V120-I123 HydrophobicContact CG1-CB 4.18Å; V120-I123 HydrophobicContact CG1-CD1 3.74Å; V120-I123 HydrophobicContact CG1-CG1 3.62Å; V120-I123 HydrophobicContact CG2-CD1 4.36Å; V120-I123 PolarHBondContact O-N 2.8Å; V120-I123 VanDerWaalsContact O-N 3.11Å; I123-T126 PolarHBondContact O-N 2.93Å; I123-Y127 WeakPolarHBondContact O-CB 3.34Å; I123-Y127 PolarHBondContact O-N 2.91Å; I123-Y134 HydrophobicContact CG2-CD2 4Å; I123-Y134 HydrophobicContact CG2-CE2 3.7Å |
| 124 | A | 97.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 71.8 Ų | 71.8 | 3% | 0.033 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P76 P115 P118 V120 P121 Y127 K128 | P76-A124 HydrophobicContact CB-CB 3.84Å; P115-A124 HydrophobicContact CB-CB 4.14Å; P118-A124 HydrophobicContact CB-CB 3.44Å; P118-A124 VanDerWaalsContact CB-CB 3.44Å; P118-A124 HydrophobicContact CG-CB 3.67Å; V120-A124 PolarHBondContact O-N 3.03Å; V120-A124 VanDerWaalsContact O-N 3.1Å; P121-A124 PolarHBondContact O-N 3.26Å; A124-Y127 PolarHBondContact O-N 2.81Å; A124-K128 WeakPolarHBondContact O-CB 3.35Å; A124-K128 WeakPolarHBondContact O-CG 3.49Å; A124-K128 PolarHBondContact O-N 3.22Å |
| 125 | H | 97.8 | Very high | 96.7 | Very high | 132 Ų | 132 | 70.4 Ų | 70.4 | 61% | 0.611 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.4 | -47.8 | 172.7 | 178.9 | 73.7 | 0 | 0 | 0 | 110.9 | P121 Y127 K128 A129 | P121-H125 WeakPolarHBondContact O-CB 3.32Å; P121-H125 PolarHBondContact O-N 2.84Å; H125-Y127 VanDerWaalsContact C-N 3.33Å; H125-Y127 PolarHBondContact O-N 2.66Å; H125-K128 PolarHBondContact O-N 2.98Å; H125-A129 VanDerWaalsContact O-CB 3.24Å; H125-A129 WeakPolarHBondContact O-CB 3.49Å; H125-A129 PolarHBondContact O-N 2.86Å |
| 126 | T | 97.8 | Very high | 97 | Very high | 23 Ų | 23 | 75 Ų | 75 | 14% | 0.141 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 175.9 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | E122 I123 K128 A129 D130 K133 | E122-T126 PolarHBondContact O-N 3.48Å; E122-T126 PolarHBondContact O-OG1 3.02Å; I123-T126 PolarHBondContact O-N 2.93Å; T126-K128 VanDerWaalsContact C-N 3.31Å; T126-K128 PolarHBondContact O-N 3.46Å; T126-A129 PolarHBondContact O-N 2.81Å; T126-D130 CarbonylContact O-C 3.24Å; T126-D130 VanDerWaalsContact O-C 3.24Å; T126-D130 WeakPolarHBondContact O-CA 3.28Å; T126-D130 PolarHBondContact O-N 3.01Å; T126-K133 HydrophobicContact CG2-CB 4.47Å; T126-K133 HydrophobicContact CG2-CD 4.15Å; T126-K133 HydrophobicContact CG2-CG 4.13Å |
| 127 | Y | 97.7 | Very high | 97.2 | Very high | 22 Ų | 22 | 70.6 Ų | 70.6 | 9% | 0.086 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.5 | -37.3 | 178 | 178.3 | -93.6 | 0 | 0 | 0 | 113.4 | P113 P115 I123 A124 H125 R131 Y134 | P113-Y127 HydrophobicContact CB-CE2 4.12Å; P113-Y127 HydrophobicContact CG-CD2 4.29Å; P113-Y127 HydrophobicContact CG-CE2 3.66Å; P115-Y127 HydrophobicContact CB-CD1 3.83Å; P115-Y127 HydrophobicContact CB-CE1 4.34Å; P115-Y127 HydrophobicContact CG-CD1 3.83Å; P115-Y127 HydrophobicContact CG-CE1 3.87Å; I123-Y127 WeakPolarHBondContact O-CB 3.34Å; I123-Y127 PolarHBondContact O-N 2.91Å; A124-Y127 PolarHBondContact O-N 2.81Å; H125-Y127 VanDerWaalsContact C-N 3.33Å; H125-Y127 PolarHBondContact O-N 2.66Å; Y127-R131 VanDerWaalsContact CE2-CZ 3.43Å; Y127-R131 PolarHBondContact O-NE 3.28Å; Y127-R131 VanDerWaalsContact OH-CZ 3.22Å; Y127-R131 PolarHBondContact OH-NH1 3.39Å; Y127-R131 PolarHBondContact OH-NH2 2.96Å; Y127-R131 VanDerWaalsContact OH-NH2 3.14Å; Y127-Y134 AromaticContact CD2-CD1 3.56Å; Y127-Y134 HydrophobicContact CD2-CD1 3.56Å; Y127-Y134 AromaticContact CD2-CD2 3.94Å; Y127-Y134 HydrophobicContact CD2-CD2 3.94Å; Y127-Y134 AromaticContact CD2-CE1 3.53Å; Y127-Y134 HydrophobicContact CD2-CE1 3.53Å; Y127-Y134 AromaticContact CD2-CE2 3.91Å; Y127-Y134 HydrophobicContact CD2-CE2 3.91Å; Y127-Y134 AromaticContact CD2-CG 3.76Å; Y127-Y134 HydrophobicContact CD2-CG 3.76Å; Y127-Y134 AromaticContact CD2-CZ 3.68Å; Y127-Y134 HydrophobicContact CE2-CD1 4.14Å; Y127-Y134 AromaticContact CE2-CE1 3.86Å; Y127-Y134 HydrophobicContact CE2-CE1 3.86Å; Y127-Y134 HydrophobicContact CG-CD2 4.45Å; Y127-Y134 HydrophobicContact CG-CG 4.47Å |
| 128 | K | 97.1 | Very high | 97.5 | Very high | 117 Ų | 117 | 66.3 Ų | 66.3 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -78.6 | -40.7 | 177.6 | -77.6 | 175 | 161.2 | 158.8 | 0 | 112.7 | P115 D116 A124 H125 T126 | P115-K128 HydrophobicContact CB-CD 3.97Å; P115-K128 HydrophobicContact CB-CG 3.89Å; P115-K128 HydrophobicContact CG-CD 4.32Å; P115-K128 HydrophobicContact CG-CG 4.1Å; P115-K128 PolarHBondContact O-NZ 3.37Å; D116-K128 WeakPolarHBondContact OD1-CE 3.41Å; D116-K128 IonicContact OD1-NZ 2.72Å; D116-K128 PolarHBondContact OD1-NZ 2.74Å; A124-K128 WeakPolarHBondContact O-CB 3.35Å; A124-K128 WeakPolarHBondContact O-CG 3.49Å; A124-K128 PolarHBondContact O-N 3.22Å; H125-K128 PolarHBondContact O-N 2.98Å; T126-K128 VanDerWaalsContact C-N 3.31Å; T126-K128 PolarHBondContact O-N 3.46Å |
| 129 | A | 97.4 | Very high | 97.7 | Very high | 72 Ų | 72 | 70.5 Ų | 70.5 | 60% | 0.595 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -85.8 | -36.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | H125 T126 | H125-A129 VanDerWaalsContact O-CB 3.24Å; H125-A129 WeakPolarHBondContact O-CB 3.49Å; H125-A129 PolarHBondContact O-N 2.86Å; T126-A129 PolarHBondContact O-N 2.81Å |
| 130 | D | 97.5 | Very high | 97.9 | Very high | 69 Ų | 69 | 71.9 Ų | 71.9 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | trans | -148.6 | 87.3 | -174.2 | -174.1 | -16.3 | 0 | 0 | 0 | 110.3 | T126 E132 K133 Y134 | T126-D130 CarbonylContact O-C 3.24Å; T126-D130 VanDerWaalsContact O-C 3.24Å; T126-D130 WeakPolarHBondContact O-CA 3.28Å; T126-D130 PolarHBondContact O-N 3.01Å; D130-E132 VanDerWaalsContact C-N 3.26Å; D130-E132 PolarHBondContact O-N 3.34Å; D130-E132 PolarHBondContact OD1-N 3.29Å; D130-K133 HydrophobicContact CB-CB 3.97Å; D130-K133 PolarHBondContact O-N 3.07Å; D130-K133 WeakPolarHBondContact OD1-CB 3.26Å; D130-K133 PolarHBondContact OD1-N 3.37Å; D130-K133 WeakPolarHBondContact OD2-CB 3.37Å; D130-Y134 PolarHBondContact O-N 3.33Å | ||
| 131 | R | 97.3 | Very high | 97.9 | Very high | 122 Ų | 122 | 74.5 Ų | 74.5 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.3 | -32.9 | -178.4 | -175 | 61.9 | 66.2 | 90.2 | 5.1 | 112.4 | Y127 N135 | Y127-R131 VanDerWaalsContact CE2-CZ 3.43Å; Y127-R131 PolarHBondContact O-NE 3.28Å; Y127-R131 VanDerWaalsContact OH-CZ 3.22Å; Y127-R131 PolarHBondContact OH-NH1 3.39Å; Y127-R131 PolarHBondContact OH-NH2 2.96Å; Y127-R131 VanDerWaalsContact OH-NH2 3.14Å; R131-N135 WeakPolarHBondContact O-CB 3.49Å; R131-N135 VanDerWaalsContact O-CG 3.24Å; R131-N135 PolarHBondContact O-N 2.92Å; R131-N135 PolarHBondContact O-ND2 3.25Å |
| 132 | E | 97.9 | Very high | 98 | Very high | 161 Ų | 161 | 70.4 Ų | 70.4 | 75% | 0.752 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -69.5 | -45.9 | 179.6 | -66.5 | -170.4 | 165.4 | 0 | 0 | 111.2 | D130 N135 R136 | D130-E132 VanDerWaalsContact C-N 3.26Å; D130-E132 PolarHBondContact O-N 3.34Å; D130-E132 PolarHBondContact OD1-N 3.29Å; E132-N135 PolarHBondContact O-N 3.19Å; E132-R136 WeakPolarHBondContact O-CB 3.38Å; E132-R136 PolarHBondContact O-N 3.36Å |
| 133 | K | 98.2 | Very high | 98 | Very high | 91 Ų | 91 | 69.1 Ų | 69.1 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 173.8 | 179.3 | 179.4 | 178.2 | -176 | 0 | 111.7 | T126 D130 R136 L137 | T126-K133 HydrophobicContact CG2-CB 4.47Å; T126-K133 HydrophobicContact CG2-CD 4.15Å; T126-K133 HydrophobicContact CG2-CG 4.13Å; D130-K133 HydrophobicContact CB-CB 3.97Å; D130-K133 PolarHBondContact O-N 3.07Å; D130-K133 WeakPolarHBondContact OD1-CB 3.26Å; D130-K133 PolarHBondContact OD1-N 3.37Å; D130-K133 WeakPolarHBondContact OD2-CB 3.37Å; K133-R136 PolarHBondContact O-N 3.24Å; K133-L137 HydrophobicContact CG-CD1 4.01Å; K133-L137 HydrophobicContact CG-CG 4.46Å; K133-L137 WeakPolarHBondContact O-CB 3.48Å; K133-L137 VanDerWaalsContact O-CG 3.32Å; K133-L137 WeakPolarHBondContact O-CG 3.38Å; K133-L137 PolarHBondContact O-N 3.27Å |
| 134 | Y | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 75.4 Ų | 75.4 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.3 | -53.1 | 173 | 169.2 | -94 | 0 | 0 | 0 | 111.2 | P44 Y45 Y74 I123 Y127 D130 R136 L137 A138 | P44-Y134 HydrophobicContact CG-CE1 4.25Å; Y45-Y134 PolarHBondContact OH-OH 3.14Å; Y74-Y134 HydrophobicContact CD1-CD2 4.23Å; Y74-Y134 HydrophobicContact CD1-CE2 4.12Å; Y74-Y134 AromaticContact CE1-CD2 3.78Å; Y74-Y134 HydrophobicContact CE1-CD2 3.78Å; Y74-Y134 HydrophobicContact CE1-CE2 4.08Å; I123-Y134 HydrophobicContact CG2-CD2 4Å; I123-Y134 HydrophobicContact CG2-CE2 3.7Å; Y127-Y134 AromaticContact CD2-CD1 3.56Å; Y127-Y134 HydrophobicContact CD2-CD1 3.56Å; Y127-Y134 AromaticContact CD2-CD2 3.94Å; Y127-Y134 HydrophobicContact CD2-CD2 3.94Å; Y127-Y134 AromaticContact CD2-CE1 3.53Å; Y127-Y134 HydrophobicContact CD2-CE1 3.53Å; Y127-Y134 AromaticContact CD2-CE2 3.91Å; Y127-Y134 HydrophobicContact CD2-CE2 3.91Å; Y127-Y134 AromaticContact CD2-CG 3.76Å; Y127-Y134 HydrophobicContact CD2-CG 3.76Å; Y127-Y134 AromaticContact CD2-CZ 3.68Å; Y127-Y134 HydrophobicContact CE2-CD1 4.14Å; Y127-Y134 AromaticContact CE2-CE1 3.86Å; Y127-Y134 HydrophobicContact CE2-CE1 3.86Å; Y127-Y134 HydrophobicContact CG-CD2 4.45Å; Y127-Y134 HydrophobicContact CG-CG 4.47Å; D130-Y134 PolarHBondContact O-N 3.33Å; Y134-R136 VanDerWaalsContact C-N 3.29Å; Y134-R136 PolarHBondContact O-N 2.99Å; Y134-L137 PolarHBondContact O-N 2.84Å; Y134-A138 HydrophobicContact CE1-CB 4.49Å; Y134-A138 WeakPolarHBondContact O-CB 3.42Å; Y134-A138 PolarHBondContact O-N 2.64Å |
| 135 | N | 98.2 | Very high | 98 | Very high | 39 Ų | 39 | 78.9 Ų | 78.9 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.2 | -39.1 | -178.2 | -77 | -19.9 | 0 | 0 | 0 | 111.7 | P44 R131 E132 R139 | P44-N135 HydrophobicContact CB-CB 4.48Å; R131-N135 WeakPolarHBondContact O-CB 3.49Å; R131-N135 VanDerWaalsContact O-CG 3.24Å; R131-N135 PolarHBondContact O-N 2.92Å; R131-N135 PolarHBondContact O-ND2 3.25Å; E132-N135 PolarHBondContact O-N 3.19Å; N135-R139 WeakPolarHBondContact O-CB 3.34Å; N135-R139 VanDerWaalsContact O-CG 3.25Å; N135-R139 WeakPolarHBondContact O-CG 3.48Å; N135-R139 PolarHBondContact O-N 3.4Å |
| 136 | R | 98.4 | Very high | 98 | Very high | 119 Ų | 119 | 72.9 Ų | 72.9 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -50.2 | 175.9 | -176.1 | 177.2 | 56.5 | 74.1 | -1.4 | 111.7 | E132 K133 Y134 A138 R139 E140 | E132-R136 WeakPolarHBondContact O-CB 3.38Å; E132-R136 PolarHBondContact O-N 3.36Å; K133-R136 PolarHBondContact O-N 3.24Å; Y134-R136 VanDerWaalsContact C-N 3.29Å; Y134-R136 PolarHBondContact O-N 2.99Å; R136-A138 PolarHBondContact O-N 3.37Å; R136-R139 PolarHBondContact O-N 3.49Å; R136-E140 WeakPolarHBondContact CG-OE1 3.46Å; R136-E140 IonicContact CZ-OE1 3.29Å; R136-E140 IonicContact NH1-OE1 2.81Å; R136-E140 PolarHBondContact NH1-OE1 3.4Å; R136-E140 IonicContact NH1-OE2 2.78Å; R136-E140 WeakPolarHBondContact O-CG 3.43Å; R136-E140 PolarHBondContact O-N 2.95Å |
| 137 | L | 98.3 | Very high | 97.8 | Very high | 36 Ų | 36 | 79.8 Ų | 79.8 | 19% | 0.188 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 178.6 | -69.5 | 172.1 | 0 | 0 | 0 | 112 | Y74 K133 Y134 E140 W141 | Y74-L137 HydrophobicContact CD1-CB 4.13Å; Y74-L137 HydrophobicContact CE1-CB 3.83Å; Y74-L137 HydrophobicContact CE1-CD1 4.28Å; K133-L137 HydrophobicContact CG-CD1 4.01Å; K133-L137 HydrophobicContact CG-CG 4.46Å; K133-L137 WeakPolarHBondContact O-CB 3.48Å; K133-L137 VanDerWaalsContact O-CG 3.32Å; K133-L137 WeakPolarHBondContact O-CG 3.38Å; K133-L137 PolarHBondContact O-N 3.27Å; Y134-L137 PolarHBondContact O-N 2.84Å; L137-E140 PolarHBondContact O-N 3.38Å; L137-W141 VanDerWaalsContact O-CD1 3.24Å; L137-W141 PolarHBondContact O-N 2.94Å |
| 138 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P44 Y45 Y74 Y134 R136 W141 T142 | P44-A138 HydrophobicContact CB-CB 3.55Å; P44-A138 HydrophobicContact CG-CB 3.72Å; Y45-A138 HydrophobicContact CE1-CB 4.1Å; Y74-A138 HydrophobicContact CD1-CB 4.13Å; Y134-A138 HydrophobicContact CE1-CB 4.49Å; Y134-A138 WeakPolarHBondContact O-CB 3.42Å; Y134-A138 PolarHBondContact O-N 2.64Å; R136-A138 PolarHBondContact O-N 3.37Å; A138-W141 PolarHBondContact O-N 3.12Å; A138-T142 PolarHBondContact O-N 3.09Å; A138-T142 PolarHBondContact O-OG1 2.99Å |
| 139 | R | 98.3 | Very high | 97.8 | Very high | 125 Ų | 125 | 80.8 Ų | 80.8 | 47% | 0.472 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 173.9 | -73.5 | 177.3 | -164.4 | 124.5 | -1.7 | 112.9 | P44 N135 R136 W141 T142 Q143 | P44-R139 HydrophobicContact CB-CG 3.78Å; P44-R139 WeakPolarHBondContact O-CA 3.46Å; P44-R139 WeakPolarHBondContact O-CG 3.35Å; N135-R139 WeakPolarHBondContact O-CB 3.34Å; N135-R139 VanDerWaalsContact O-CG 3.25Å; N135-R139 WeakPolarHBondContact O-CG 3.48Å; N135-R139 PolarHBondContact O-N 3.4Å; R136-R139 PolarHBondContact O-N 3.49Å; R139-W141 VanDerWaalsContact C-N 3.27Å; R139-W141 PolarHBondContact O-N 3.36Å; R139-T142 WeakPolarHBondContact O-CB 3.25Å; R139-T142 PolarHBondContact O-N 3.34Å; R139-Q143 WeakPolarHBondContact O-CG 3.44Å; R139-Q143 PolarHBondContact O-N 3.27Å |
| 140 | E | 98.3 | Very high | 97.8 | Very high | 83 Ų | 83 | 81.3 Ų | 81.3 | 39% | 0.388 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.9 | -40.3 | 176.3 | -73.6 | 168.9 | -164.4 | 0 | 0 | 111.2 | R136 L137 K144 | R136-E140 WeakPolarHBondContact CG-OE1 3.46Å; R136-E140 IonicContact CZ-OE1 3.29Å; R136-E140 IonicContact NH1-OE1 2.81Å; R136-E140 PolarHBondContact NH1-OE1 3.4Å; R136-E140 IonicContact NH1-OE2 2.78Å; R136-E140 WeakPolarHBondContact O-CG 3.43Å; R136-E140 PolarHBondContact O-N 2.95Å; L137-E140 PolarHBondContact O-N 3.38Å; E140-K144 VanDerWaalsContact O-CB 3.26Å; E140-K144 WeakPolarHBondContact O-CB 3.14Å; E140-K144 PolarHBondContact O-N 3.28Å |
| 141 | W | 98.4 | Very high | 97.9 | Very high | 85 Ų | 85 | 82.1 Ų | 82.1 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.7 | -42.1 | 175.8 | -85 | 59.5 | 0 | 0 | 0 | 112.8 | K72 Y74 L137 A138 R139 Q143 K144 Y145 | K72-W141 HydrophobicContact CB-CE3 4.29Å; K72-W141 HydrophobicContact CB-CZ3 4.09Å; Y74-W141 HydrophobicContact CD2-CD2 4.35Å; Y74-W141 HydrophobicContact CD2-CZ2 4.32Å; Y74-W141 HydrophobicContact CG-CG 4.45Å; L137-W141 VanDerWaalsContact O-CD1 3.24Å; L137-W141 PolarHBondContact O-N 2.94Å; A138-W141 PolarHBondContact O-N 3.12Å; R139-W141 VanDerWaalsContact C-N 3.27Å; R139-W141 PolarHBondContact O-N 3.36Å; W141-Q143 VanDerWaalsContact C-N 3.35Å; W141-Q143 PolarHBondContact O-N 2.87Å; W141-K144 PolarHBondContact O-N 3.25Å; W141-Y145 HydrophobicContact CB-CD2 4.28Å; W141-Y145 HydrophobicContact CD2-CD2 4.06Å; W141-Y145 AromaticContact CD2-CE2 3.74Å; W141-Y145 HydrophobicContact CD2-CE2 3.74Å; W141-Y145 AromaticContact CE3-CD2 3.78Å; W141-Y145 HydrophobicContact CE3-CD2 3.78Å; W141-Y145 AromaticContact CE3-CE2 3.66Å; W141-Y145 HydrophobicContact CE3-CE2 3.66Å; W141-Y145 HydrophobicContact CG-CD2 4.3Å; W141-Y145 HydrophobicContact CG-CE2 4.18Å; W141-Y145 HydrophobicContact CZ3-CE2 4.14Å; W141-Y145 WeakPolarHBondContact O-CD2 3.36Å; W141-Y145 PolarHBondContact O-N 3.17Å |
| 142 | T | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 79.6 Ų | 79.6 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.1 | -50.6 | 174.3 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | P44 Y45 F50 A138 R139 K144 A146 M147 | P44-T142 PolarHBondContact O-OG1 2.88Å; Y45-T142 WeakPolarHBondContact CA-OG1 3.39Å; Y45-T142 WeakPolarHBondContact O-CG2 3.4Å; F50-T142 HydrophobicContact CZ-CG2 4.08Å; A138-T142 PolarHBondContact O-N 3.09Å; A138-T142 PolarHBondContact O-OG1 2.99Å; R139-T142 WeakPolarHBondContact O-CB 3.25Å; R139-T142 PolarHBondContact O-N 3.34Å; T142-K144 VanDerWaalsContact C-N 3.28Å; T142-K144 PolarHBondContact O-N 3.08Å; T142-A146 HydrophobicContact CG2-CB 4.41Å; T142-A146 CarbonylContact O-C 3.56Å; T142-A146 WeakPolarHBondContact O-CA 3.41Å; T142-A146 WeakPolarHBondContact O-CB 3.37Å; T142-A146 PolarHBondContact O-N 2.78Å; T142-M147 HydrophobicContact CG2-CG 4.43Å; T142-M147 PolarHBondContact O-N 3.28Å |
| 143 | Q | 98.1 | Very high | 97.9 | Very high | 130 Ų | 130 | 74.1 Ų | 74.1 | 61% | 0.607 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61 | -36.7 | 178 | -72.2 | 174.6 | 4.7 | 0 | 0 | 112.8 | R139 W141 M147 | R139-Q143 WeakPolarHBondContact O-CG 3.44Å; R139-Q143 PolarHBondContact O-N 3.27Å; W141-Q143 VanDerWaalsContact C-N 3.35Å; W141-Q143 PolarHBondContact O-N 2.87Å; Q143-M147 HydrophobicContact CB-SD 4.3Å; Q143-M147 HydrophobicContact CG-SD 3.75Å |
| 144 | K | 98.2 | Very high | 97.9 | Very high | 147 Ų | 147 | 72.9 Ų | 72.9 | 64% | 0.639 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -79.5 | -33.5 | -175.4 | -175.6 | 172.8 | 179.1 | 179.9 | 0 | 114 | E140 W141 T142 | E140-K144 VanDerWaalsContact O-CB 3.26Å; E140-K144 WeakPolarHBondContact O-CB 3.14Å; E140-K144 PolarHBondContact O-N 3.28Å; W141-K144 PolarHBondContact O-N 3.25Å; T142-K144 VanDerWaalsContact C-N 3.28Å; T142-K144 PolarHBondContact O-N 3.08Å |
| 145 | Y | 98.1 | Very high | 97.9 | Very high | 77 Ų | 77 | 78.3 Ų | 78.3 | 30% | 0.302 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -122.1 | -15.9 | -167.7 | -59.5 | -62.5 | 0 | 0 | 0 | 114.6 | T71 K72 W141 | T71-Y145 VanDerWaalsContact CG2-O 3.3Å; T71-Y145 WeakPolarHBondContact CG2-O 3.48Å; K72-Y145 HydrophobicContact CB-CD1 4.27Å; K72-Y145 HydrophobicContact CB-CD2 3.88Å; K72-Y145 HydrophobicContact CB-CE2 4.36Å; K72-Y145 HydrophobicContact CB-CG 3.83Å; K72-Y145 HydrophobicContact CD-CD1 4.1Å; K72-Y145 HydrophobicContact CD-CE1 3.92Å; K72-Y145 HydrophobicContact CD-CE2 4.43Å; K72-Y145 HydrophobicContact CD-CG 4.45Å; W141-Y145 HydrophobicContact CB-CD2 4.28Å; W141-Y145 HydrophobicContact CD2-CD2 4.06Å; W141-Y145 AromaticContact CD2-CE2 3.74Å; W141-Y145 HydrophobicContact CD2-CE2 3.74Å; W141-Y145 AromaticContact CE3-CD2 3.78Å; W141-Y145 HydrophobicContact CE3-CD2 3.78Å; W141-Y145 AromaticContact CE3-CE2 3.66Å; W141-Y145 HydrophobicContact CE3-CE2 3.66Å; W141-Y145 HydrophobicContact CG-CD2 4.3Å; W141-Y145 HydrophobicContact CG-CE2 4.18Å; W141-Y145 HydrophobicContact CZ3-CE2 4.14Å; W141-Y145 WeakPolarHBondContact O-CD2 3.36Å; W141-Y145 PolarHBondContact O-N 3.17Å |
| 146 | A | 97.5 | Very high | 97.8 | Very high | 6 Ų | 6 | 81.6 Ų | 81.6 | 5% | 0.05 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | -1.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G48 V49 F50 T71 T142 | G48-A146 CarbonylContact C-O 3.53Å; G48-A146 WeakPolarHBondContact CA-O 3.48Å; V49-A146 PolarHBondContact N-O 3.24Å; F50-A146 HydrophobicContact CD1-CB 4Å; F50-A146 HydrophobicContact CE1-CB 3.6Å; F50-A146 HydrophobicContact CE2-CB 4.23Å; F50-A146 HydrophobicContact CG-CB 4.48Å; F50-A146 HydrophobicContact CZ-CB 3.73Å; T71-A146 HydrophobicContact CG2-CB 3.86Å; T142-A146 HydrophobicContact CG2-CB 4.41Å; T142-A146 CarbonylContact O-C 3.56Å; T142-A146 WeakPolarHBondContact O-CA 3.41Å; T142-A146 WeakPolarHBondContact O-CB 3.37Å; T142-A146 PolarHBondContact O-N 2.78Å |
| 147 | M | 93.3 | Very high | 97.8 | Very high | 168 Ų | 168 | 78.2 Ų | 78.2 | 83% | 0.828 | 35% | 0.347 | S | S | * | . | trans | -110 | 0 | 177.8 | -67 | -173.4 | 72.9 | 0 | 0 | 112.2 | T142 Q143 | T142-M147 HydrophobicContact CG2-CG 4.43Å; T142-M147 PolarHBondContact O-N 3.28Å; Q143-M147 HydrophobicContact CB-SD 4.3Å; Q143-M147 HydrophobicContact CG-SD 3.75Å |
Retrieved 147 of 147 residues in 49.5 ms
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