| 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 | 85.7 | Confident | 90.3 | Very high | 45 Ų | 45 | 50.5 Ų | 50.5 | 22% | 0.222 | 27% | 0.273 | C | S | . | . | 0 | -52.6 | 0 | -84.6 | -69.1 | -88.4 | 0 | 0 | 112.3 | L44 Q48 Q99 R106 C107 I110 | M1-L44 HydrophobicContact CB-CD1 4.33Å; M1-L44 HydrophobicContact CE-CB 3.99Å; M1-L44 HydrophobicContact CG-CD1 4.19Å; M1-Q48 PolarHBondContact O-NE2 3.21Å; M1-Q48 PolarHBondContact SD-NE2 2.93Å; M1-Q99 PolarHBondContact O-NE2 3.4Å; M1-R106 WeakPolarHBondContact O-CD 3.49Å; M1-R106 PolarHBondContact O-NH1 3.26Å; M1-R106 HydrophobicContact SD-CG 4.07Å; M1-C107 HydrophobicContact CE-CB 3.65Å; M1-C107 HydrophobicContact SD-CB 4.28Å; M1-I110 HydrophobicContact CG-CD1 3.73Å; M1-I110 HydrophobicContact SD-CD1 3.57Å; M1-I110 VanDerWaalsContact SD-CD1 3.57Å | |||
| 2 | L | 88.5 | Confident | 90.7 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | trans | -91.5 | -14.6 | -167.2 | -61.3 | 179.7 | 0 | 0 | 0 | 116.2 | D7 A11 L44 V47 Q48 R51 | L2-D7 HydrophobicContact CB-CB 4.03Å; L2-D7 HydrophobicContact CD1-CB 4.18Å; L2-D7 WeakPolarHBondContact CD1-O 3.48Å; L2-A11 HydrophobicContact CD1-CB 3.38Å; L2-L44 HydrophobicContact CD1-CD2 3.78Å; L2-L44 HydrophobicContact CD2-CD2 4.02Å; L2-L44 HydrophobicContact CG-CD2 3.9Å; L2-V47 HydrophobicContact CD1-CG1 4.45Å; L2-V47 HydrophobicContact CD2-CB 4.19Å; L2-V47 HydrophobicContact CD2-CG1 3.82Å; L2-Q48 HydrophobicContact CD2-CG 3.86Å; L2-R51 PolarHBondContact O-NH1 3.32Å | ||
| 3 | G | 86.2 | Confident | 91.1 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 24% | 0.237 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 101.7 | -15.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N95 Q99 | G3-N95 VanDerWaalsContact C-ND2 3.31Å; G3-N95 PolarHBondContact O-ND2 2.79Å; G3-Q99 VanDerWaalsContact CA-CD 3.48Å; G3-Q99 VanDerWaalsContact CA-NE2 3.33Å |
| 4 | N | 86.2 | Confident | 91.6 | Very high | 65 Ų | 65 | 59.6 Ų | 59.6 | 35% | 0.348 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -146.9 | 172.5 | 165.3 | 65.2 | 63.2 | 0 | 0 | 0 | 110.7 | F6 D7 A8 | N4-F6 PolarHBondContact OD1-N 3.32Å; N4-D7 PolarHBondContact ND2-OD2 3.46Å; N4-D7 VanDerWaalsContact OD1-CB 3.27Å; N4-D7 WeakPolarHBondContact OD1-CB 3.46Å; N4-D7 PolarHBondContact OD1-N 3.31Å; N4-D7 PolarHBondContact OD1-OD2 3.38Å; N4-A8 PolarHBondContact O-N 2.69Å |
| 5 | I | 88.8 | Confident | 91.9 | Very high | 32 Ų | 32 | 56.7 Ų | 56.7 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.9 | -47.7 | -172.3 | -64.9 | 168.3 | 0 | 0 | 0 | 111.3 | D7 A8 E9 D180 Y181 L184 | I5-D7 PolarHBondContact O-N 3.44Å; I5-A8 CarbonylContact O-C 3.59Å; I5-A8 WeakPolarHBondContact O-CA 3.21Å; I5-A8 WeakPolarHBondContact O-CB 3.32Å; I5-A8 PolarHBondContact O-N 3.32Å; I5-E9 HydrophobicContact CG2-CG 4.21Å; I5-E9 WeakPolarHBondContact O-CG 3.48Å; I5-E9 PolarHBondContact O-N 2.84Å; I5-D180 VanDerWaalsContact CD1-C 3.44Å; I5-D180 HydrophobicContact CD1-CB 3.67Å; I5-D180 WeakPolarHBondContact CD1-O 3.49Å; I5-Y181 HydrophobicContact CD1-CD1 4.42Å; I5-Y181 HydrophobicContact CG1-CE1 4.49Å; I5-L184 HydrophobicContact CD1-CD1 3.89Å; I5-L184 HydrophobicContact CD1-CD2 4.39Å; I5-L184 HydrophobicContact CD1-CG 4.39Å; I5-L184 HydrophobicContact CG1-CD1 4.31Å |
| 6 | F | 89.7 | Confident | 92.1 | Very high | 121 Ų | 121 | 59.5 Ų | 59.5 | 53% | 0.531 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.2 | -42.4 | -179.3 | -65.5 | -68.3 | 0 | 0 | 0 | 112.4 | N4 A8 E9 D10 | N4-F6 PolarHBondContact OD1-N 3.32Å; F6-A8 VanDerWaalsContact C-N 3.33Å; F6-A8 PolarHBondContact O-N 3.08Å; F6-E9 PolarHBondContact O-N 3.25Å; F6-D10 WeakPolarHBondContact O-CB 3.26Å; F6-D10 PolarHBondContact O-N 3.14Å |
| 7 | D | 91.2 | Very high | 92.3 | Very high | 34 Ų | 34 | 62.4 Ų | 62.4 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.9 | -33 | 176.9 | -65.4 | -42.3 | 0 | 0 | 0 | 112.6 | L2 N4 I5 A11 R51 | L2-D7 HydrophobicContact CB-CB 4.03Å; L2-D7 HydrophobicContact CD1-CB 4.18Å; L2-D7 WeakPolarHBondContact CD1-O 3.48Å; N4-D7 PolarHBondContact ND2-OD2 3.46Å; N4-D7 VanDerWaalsContact OD1-CB 3.27Å; N4-D7 WeakPolarHBondContact OD1-CB 3.46Å; N4-D7 PolarHBondContact OD1-N 3.31Å; N4-D7 PolarHBondContact OD1-OD2 3.38Å; I5-D7 PolarHBondContact O-N 3.44Å; D7-A11 WeakPolarHBondContact O-CB 3.31Å; D7-A11 PolarHBondContact O-N 2.93Å; D7-R51 VanDerWaalsContact CG-CZ 3.49Å; D7-R51 VanDerWaalsContact CG-NH1 3.26Å; D7-R51 IonicContact OD1-CZ 2.74Å; D7-R51 IonicContact OD1-NH1 3.13Å; D7-R51 IonicContact OD1-NH2 3.98Å; D7-R51 PolarHBondContact OD1-NH2 3.23Å; D7-R51 IonicContact OD2-CZ 2.9Å; D7-R51 IonicContact OD2-NH1 2.83Å; D7-R51 PolarHBondContact OD2-NH1 3.42Å; D7-R51 IonicContact OD2-NH2 3.11Å; D7-R51 PolarHBondContact OD2-NH2 3.24Å |
| 8 | A | 92.4 | Very high | 92.5 | Very high | 42 Ų | 42 | 63 Ų | 63 | 35% | 0.347 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N4 I5 F6 T12 | N4-A8 PolarHBondContact O-N 2.69Å; I5-A8 CarbonylContact O-C 3.59Å; I5-A8 WeakPolarHBondContact O-CA 3.21Å; I5-A8 WeakPolarHBondContact O-CB 3.32Å; I5-A8 PolarHBondContact O-N 3.32Å; F6-A8 VanDerWaalsContact C-N 3.33Å; F6-A8 PolarHBondContact O-N 3.08Å; A8-T12 WeakPolarHBondContact O-CB 3.36Å; A8-T12 PolarHBondContact O-N 3.39Å; A8-T12 PolarHBondContact O-OG1 3.3Å |
| 9 | E | 93.6 | Very high | 92.5 | Very high | 99 Ų | 99 | 60.9 Ų | 60.9 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.2 | -49.3 | 174.4 | -69.5 | 174.6 | 165.5 | 0 | 0 | 111 | I5 F6 T12 Q13 | I5-E9 HydrophobicContact CG2-CG 4.21Å; I5-E9 WeakPolarHBondContact O-CG 3.48Å; I5-E9 PolarHBondContact O-N 2.84Å; F6-E9 PolarHBondContact O-N 3.25Å; E9-T12 WeakPolarHBondContact O-CB 3.47Å; E9-T12 PolarHBondContact O-N 3.29Å; E9-T12 VanDerWaalsContact O-N 3.11Å; E9-Q13 WeakPolarHBondContact O-CG 3.36Å; E9-Q13 PolarHBondContact O-N 3.3Å |
| 10 | D | 95.3 | Very high | 92.4 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 43% | 0.433 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.2 | -49 | 177.5 | -175.3 | 56.9 | 0 | 0 | 0 | 111.7 | F6 T12 Q13 E14 | F6-D10 WeakPolarHBondContact O-CB 3.26Å; F6-D10 PolarHBondContact O-N 3.14Å; D10-T12 VanDerWaalsContact C-N 3.26Å; D10-T12 PolarHBondContact O-N 3.07Å; D10-Q13 WeakPolarHBondContact O-CB 3.37Å; D10-Q13 PolarHBondContact O-N 3.21Å; D10-Q13 VanDerWaalsContact O-N 3.13Å; D10-E14 PolarHBondContact O-N 3.43Å |
| 11 | A | 95.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.6 | -34 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L2 D7 E14 I15 L44 | L2-A11 HydrophobicContact CD1-CB 3.38Å; D7-A11 WeakPolarHBondContact O-CB 3.31Å; D7-A11 PolarHBondContact O-N 2.93Å; A11-E14 PolarHBondContact O-N 3.07Å; A11-I15 VanDerWaalsContact O-CB 3.29Å; A11-I15 WeakPolarHBondContact O-CB 3.45Å; A11-I15 VanDerWaalsContact O-CD1 3.27Å; A11-I15 WeakPolarHBondContact O-CD1 3.4Å; A11-I15 WeakPolarHBondContact O-CG1 3.32Å; A11-I15 PolarHBondContact O-N 3.47Å; A11-L44 HydrophobicContact CB-CD2 3.96Å |
| 12 | T | 95.3 | Very high | 92.6 | Very high | 78 Ų | 78 | 68.1 Ų | 68.1 | 48% | 0.479 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 175 | -61.7 | 0 | 0 | 0 | 0 | 110.5 | A8 E9 D10 I15 L16 | A8-T12 WeakPolarHBondContact O-CB 3.36Å; A8-T12 PolarHBondContact O-N 3.39Å; A8-T12 PolarHBondContact O-OG1 3.3Å; E9-T12 WeakPolarHBondContact O-CB 3.47Å; E9-T12 PolarHBondContact O-N 3.29Å; E9-T12 VanDerWaalsContact O-N 3.11Å; D10-T12 VanDerWaalsContact C-N 3.26Å; D10-T12 PolarHBondContact O-N 3.07Å; T12-I15 PolarHBondContact O-N 2.82Å; T12-L16 HydrophobicContact CG2-CD1 4.14Å; T12-L16 HydrophobicContact CG2-CG 4.48Å; T12-L16 VanDerWaalsContact O-CG 3.29Å; T12-L16 WeakPolarHBondContact O-CG 3.18Å; T12-L16 PolarHBondContact O-N 2.98Å |
| 13 | Q | 96.4 | Very high | 92.6 | Very high | 121 Ų | 121 | 72 Ų | 72 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.6 | -49.3 | 175.7 | -66.3 | 176.5 | 38.1 | 0 | 0 | 111.3 | E9 D10 I15 L16 L17 | E9-Q13 WeakPolarHBondContact O-CG 3.36Å; E9-Q13 PolarHBondContact O-N 3.3Å; D10-Q13 WeakPolarHBondContact O-CB 3.37Å; D10-Q13 PolarHBondContact O-N 3.21Å; D10-Q13 VanDerWaalsContact O-N 3.13Å; Q13-I15 VanDerWaalsContact C-N 3.31Å; Q13-I15 PolarHBondContact O-N 3.31Å; Q13-L16 PolarHBondContact O-N 3.48Å; Q13-L17 WeakPolarHBondContact O-CG 3.31Å; Q13-L17 PolarHBondContact O-N 3.32Å |
| 14 | E | 97.3 | Very high | 92.5 | Very high | 79 Ų | 79 | 75 Ų | 75 | 37% | 0.369 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 177.8 | -75.3 | -161.3 | -147.6 | 0 | 0 | 112.8 | D10 A11 K18 H43 | D10-E14 PolarHBondContact O-N 3.43Å; A11-E14 PolarHBondContact O-N 3.07Å; E14-K18 WeakPolarHBondContact O-CB 3.32Å; E14-K18 VanDerWaalsContact O-CG 3.26Å; E14-K18 WeakPolarHBondContact O-CG 3.41Å; E14-K18 PolarHBondContact O-N 3.14Å; E14-H43 VanDerWaalsContact CB-CE1 3.43Å; E14-H43 WeakPolarHBondContact CB-CE1 3.15Å; E14-H43 IonicContact OE2-CE1 3.78Å; E14-H43 PolarHBondContact OE2-CE1 3.14Å; E14-H43 IonicContact OE2-ND1 2.75Å |
| 15 | I | 96.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 75 Ų | 75 | 9% | 0.087 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 176.3 | -73.3 | 162.7 | 0 | 0 | 0 | 110.4 | A11 T12 Q13 L17 K18 I19 A40 H43 L44 | A11-I15 VanDerWaalsContact O-CB 3.29Å; A11-I15 WeakPolarHBondContact O-CB 3.45Å; A11-I15 VanDerWaalsContact O-CD1 3.27Å; A11-I15 WeakPolarHBondContact O-CD1 3.4Å; A11-I15 WeakPolarHBondContact O-CG1 3.32Å; A11-I15 PolarHBondContact O-N 3.47Å; T12-I15 PolarHBondContact O-N 2.82Å; Q13-I15 VanDerWaalsContact C-N 3.31Å; Q13-I15 PolarHBondContact O-N 3.31Å; I15-L17 PolarHBondContact O-N 3.23Å; I15-K18 PolarHBondContact O-N 2.98Å; I15-I19 HydrophobicContact CG2-CD1 3.75Å; I15-I19 HydrophobicContact CG2-CG1 4.39Å; I15-I19 WeakPolarHBondContact O-CD1 3.31Å; I15-I19 VanDerWaalsContact O-CG1 3.26Å; I15-I19 WeakPolarHBondContact O-CG1 3.35Å; I15-I19 PolarHBondContact O-N 2.92Å; I15-A40 HydrophobicContact CD1-CB 4.02Å; I15-A40 HydrophobicContact CG2-CB 3.97Å; I15-H43 HydrophobicContact CD1-CB 4.17Å; I15-H43 HydrophobicContact CG1-CB 3.73Å; I15-L44 HydrophobicContact CD1-CD2 4.29Å; I15-L44 HydrophobicContact CD1-CG 4.1Å |
| 16 | L | 95 | Very high | 92.4 | Very high | 101 Ų | 101 | 74.7 Ų | 74.7 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 176.9 | -71.8 | 171.2 | 0 | 0 | 0 | 111.5 | T12 Q13 K18 I19 V20 | T12-L16 HydrophobicContact CG2-CD1 4.14Å; T12-L16 HydrophobicContact CG2-CG 4.48Å; T12-L16 VanDerWaalsContact O-CG 3.29Å; T12-L16 WeakPolarHBondContact O-CG 3.18Å; T12-L16 PolarHBondContact O-N 2.98Å; Q13-L16 PolarHBondContact O-N 3.48Å; L16-K18 VanDerWaalsContact C-N 3.33Å; L16-K18 PolarHBondContact O-N 3.41Å; L16-I19 WeakPolarHBondContact O-CB 2.85Å; L16-I19 PolarHBondContact O-N 3.42Å; L16-V20 WeakPolarHBondContact O-CG2 3.38Å; L16-V20 PolarHBondContact O-N 3.3Å |
| 17 | L | 95.9 | Very high | 92.2 | Very high | 109 Ų | 109 | 76.7 Ų | 76.7 | 57% | 0.571 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -59.6 | -44 | 174.5 | -69.5 | 174.1 | 0 | 0 | 0 | 111.4 | Q13 I15 I19 V20 M21 | Q13-L17 WeakPolarHBondContact O-CG 3.31Å; Q13-L17 PolarHBondContact O-N 3.32Å; I15-L17 PolarHBondContact O-N 3.23Å; L17-I19 VanDerWaalsContact C-N 3.32Å; L17-I19 PolarHBondContact O-N 3.29Å; L17-V20 PolarHBondContact O-N 2.69Å; L17-M21 HydrophobicContact CB-CE 4.29Å; L17-M21 WeakPolarHBondContact O-CB 3.26Å; L17-M21 WeakPolarHBondContact O-CE 3.27Å; L17-M21 VanDerWaalsContact O-CG 3.27Å; L17-M21 WeakPolarHBondContact O-CG 3.46Å; L17-M21 PolarHBondContact O-N 2.85Å |
| 18 | K | 95.3 | Very high | 91.8 | Very high | 73 Ų | 73 | 79.2 Ų | 79.2 | 32% | 0.317 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 176.4 | -75 | 174.7 | -174.1 | -173.1 | 0 | 112.5 | E14 I15 L16 M21 N22 I39 H43 | E14-K18 WeakPolarHBondContact O-CB 3.32Å; E14-K18 VanDerWaalsContact O-CG 3.26Å; E14-K18 WeakPolarHBondContact O-CG 3.41Å; E14-K18 PolarHBondContact O-N 3.14Å; I15-K18 PolarHBondContact O-N 2.98Å; L16-K18 VanDerWaalsContact C-N 3.33Å; L16-K18 PolarHBondContact O-N 3.41Å; K18-M21 HydrophobicContact CG-CE 4.4Å; K18-N22 VanDerWaalsContact O-CB 3.27Å; K18-N22 WeakPolarHBondContact O-CB 3.39Å; K18-N22 PolarHBondContact O-N 3.37Å; K18-N22 VanDerWaalsContact O-N 3.12Å; K18-N22 PolarHBondContact O-ND2 3.23Å; K18-I39 HydrophobicContact CB-CG2 3.89Å; K18-H43 PolarHBondContact NZ-ND1 2.95Å |
| 19 | I | 92.7 | Very high | 91.4 | Very high | 23 Ų | 23 | 85.4 Ų | 85.4 | 12% | 0.118 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63.2 | -51.8 | 176.2 | -70 | 160.4 | 0 | 0 | 0 | 109.8 | I15 L16 L17 N22 L23 W35 V36 I39 | I15-I19 HydrophobicContact CG2-CD1 3.75Å; I15-I19 HydrophobicContact CG2-CG1 4.39Å; I15-I19 WeakPolarHBondContact O-CD1 3.31Å; I15-I19 VanDerWaalsContact O-CG1 3.26Å; I15-I19 WeakPolarHBondContact O-CG1 3.35Å; I15-I19 PolarHBondContact O-N 2.92Å; L16-I19 WeakPolarHBondContact O-CB 2.85Å; L16-I19 PolarHBondContact O-N 3.42Å; L17-I19 VanDerWaalsContact C-N 3.32Å; L17-I19 PolarHBondContact O-N 3.29Å; I19-N22 PolarHBondContact O-N 2.89Å; I19-L23 PolarHBondContact O-N 3.44Å; I19-W35 HydrophobicContact CG2-CZ3 4.13Å; I19-V36 HydrophobicContact CD1-CB 4.44Å; I19-V36 HydrophobicContact CD1-CG1 3.53Å; I19-V36 HydrophobicContact CD1-CG2 4.3Å; I19-V36 HydrophobicContact CG1-CG1 4.26Å; I19-V36 HydrophobicContact CG1-CG2 4.34Å; I19-V36 HydrophobicContact CG2-CG2 4.26Å; I19-I39 HydrophobicContact CG1-CD1 4.2Å; I19-I39 HydrophobicContact CG1-CG2 4.34Å |
| 20 | V | 91 | Very high | 91 | Very high | 107 Ų | 107 | 82.5 Ų | 82.5 | 65% | 0.648 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.8 | -47.2 | -178.1 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | L16 L17 N22 L23 | L16-V20 WeakPolarHBondContact O-CG2 3.38Å; L16-V20 PolarHBondContact O-N 3.3Å; L17-V20 PolarHBondContact O-N 2.69Å; V20-N22 VanDerWaalsContact C-N 3.29Å; V20-N22 PolarHBondContact O-N 2.95Å; V20-L23 WeakPolarHBondContact O-CB 3.41Å; V20-L23 PolarHBondContact O-N 2.89Å |
| 21 | M | 91.9 | Very high | 90.6 | Very high | 139 Ų | 139 | 85 Ų | 85 | 69% | 0.685 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.9 | -31.5 | -179.5 | -71.1 | -173.6 | -61.1 | 0 | 0 | 113.3 | L17 K18 | L17-M21 HydrophobicContact CB-CE 4.29Å; L17-M21 WeakPolarHBondContact O-CB 3.26Å; L17-M21 WeakPolarHBondContact O-CE 3.27Å; L17-M21 VanDerWaalsContact O-CG 3.27Å; L17-M21 WeakPolarHBondContact O-CG 3.46Å; L17-M21 PolarHBondContact O-N 2.85Å; K18-M21 HydrophobicContact CG-CE 4.4Å |
| 22 | N | 90.7 | Very high | 90.2 | Very high | 73 Ų | 73 | 86 Ų | 86 | 39% | 0.39 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 8 | -177.7 | -64.4 | -68.5 | 0 | 0 | 0 | 113 | K18 I19 V20 G24 S25 W35 | K18-N22 VanDerWaalsContact O-CB 3.27Å; K18-N22 WeakPolarHBondContact O-CB 3.39Å; K18-N22 PolarHBondContact O-N 3.37Å; K18-N22 VanDerWaalsContact O-N 3.12Å; K18-N22 PolarHBondContact O-ND2 3.23Å; I19-N22 PolarHBondContact O-N 2.89Å; V20-N22 VanDerWaalsContact C-N 3.29Å; V20-N22 PolarHBondContact O-N 2.95Å; N22-G24 VanDerWaalsContact C-N 3.29Å; N22-G24 PolarHBondContact O-N 3.35Å; N22-S25 WeakPolarHBondContact O-CB 3.07Å; N22-S25 PolarHBondContact O-N 3.14Å; N22-S25 PolarHBondContact O-OG 2.83Å; N22-W35 HydrophobicContact CB-CH2 4.2Å; N22-W35 HydrophobicContact CB-CZ2 4.02Å; N22-W35 WeakPolarHBondContact O-CH2 3.17Å; N22-W35 VanDerWaalsContact O-CZ2 3.29Å; N22-W35 WeakPolarHBondContact O-CZ2 3.26Å |
| 23 | L | 87.2 | Confident | 89.8 | Confident | 91 Ų | 91 | 82.3 Ų | 82.3 | 48% | 0.476 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -57.2 | -42.5 | -174.5 | -171.6 | 62.9 | 0 | 0 | 0 | 111.9 | I19 V20 S25 F26 F32 W35 | I19-L23 PolarHBondContact O-N 3.44Å; V20-L23 WeakPolarHBondContact O-CB 3.41Å; V20-L23 PolarHBondContact O-N 2.89Å; L23-S25 PolarHBondContact O-N 2.71Å; L23-S25 VanDerWaalsContact O-N 3.12Å; L23-F26 WeakPolarHBondContact O-CB 3.41Å; L23-F26 PolarHBondContact O-N 3.34Å; L23-F26 VanDerWaalsContact O-N 3.11Å; L23-F32 HydrophobicContact CD1-CE2 3.6Å; L23-F32 HydrophobicContact CD1-CZ 4Å; L23-W35 HydrophobicContact CD1-CZ3 4.41Å |
| 24 | G | 85 | Confident | 89.4 | Confident | 88 Ų | 88 | 77.5 Ų | 77.5 | 91% | 0.907 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -66.8 | -9.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | N22 | N22-G24 VanDerWaalsContact C-N 3.29Å; N22-G24 PolarHBondContact O-N 3.35Å |
| 25 | S | 86.6 | Confident | 89.1 | Confident | 64 Ų | 64 | 75.1 Ų | 75.1 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -90.5 | -6.2 | 174.8 | 77.5 | 0 | 0 | 0 | 0 | 113.4 | N22 L23 K27 | N22-S25 WeakPolarHBondContact O-CB 3.07Å; N22-S25 PolarHBondContact O-N 3.14Å; N22-S25 PolarHBondContact O-OG 2.83Å; L23-S25 PolarHBondContact O-N 2.71Å; L23-S25 VanDerWaalsContact O-N 3.12Å; S25-K27 PolarHBondContact O-N 3.41Å |
| 26 | F | 86.7 | Confident | 88.8 | Confident | 26 Ų | 26 | 75.1 Ų | 75.1 | 11% | 0.114 | 40% | 0.397 | C | S | . | . | trans | -72.3 | 112.3 | 178.8 | 176.4 | -120.8 | 0 | 0 | 0 | 110.8 | L23 Q28 S30 F32 W35 D203 | L23-F26 WeakPolarHBondContact O-CB 3.41Å; L23-F26 PolarHBondContact O-N 3.34Å; L23-F26 VanDerWaalsContact O-N 3.11Å; F26-Q28 HydrophobicContact CD1-CG 4.07Å; F26-Q28 HydrophobicContact CE1-CB 4.32Å; F26-Q28 HydrophobicContact CE1-CG 3.65Å; F26-Q28 HydrophobicContact CZ-CB 4.45Å; F26-Q28 HydrophobicContact CZ-CG 4.25Å; F26-S30 WeakPolarHBondContact CE2-O 3.41Å; F26-S30 WeakPolarHBondContact CZ-O 3.27Å; F26-F32 HydrophobicContact CD1-CD2 4.09Å; F26-F32 HydrophobicContact CE1-CB 4.34Å; F26-F32 HydrophobicContact CE1-CD2 4.02Å; F26-F32 HydrophobicContact CG-CD2 4.49Å; F26-F32 HydrophobicContact CZ-CB 4.24Å; F26-F32 HydrophobicContact CZ-CD2 4.37Å; F26-W35 HydrophobicContact CB-CD2 4.23Å; F26-W35 HydrophobicContact CB-CZ2 4.23Å; F26-W35 HydrophobicContact CD2-CB 3.71Å; F26-W35 AromaticContact CD2-CD1 3.7Å; F26-W35 AromaticContact CD2-CD2 3.81Å; F26-W35 HydrophobicContact CD2-CD2 3.81Å; F26-W35 HydrophobicContact CD2-CE3 4.41Å; F26-W35 AromaticContact CD2-CG 3.46Å; F26-W35 HydrophobicContact CD2-CG 3.46Å; F26-W35 VanDerWaalsContact CD2-CG 3.46Å; F26-W35 HydrophobicContact CE2-CB 3.65Å; F26-W35 AromaticContact CE2-CG 3.96Å; F26-W35 HydrophobicContact CE2-CG 3.96Å; F26-W35 HydrophobicContact CG-CD2 4.28Å; F26-W35 HydrophobicContact CG-CG 4.38Å; F26-D203 WeakPolarHBondContact CE1-OD1 3.41Å | ||
| 27 | K | 84 | Confident | 88.6 | Confident | 163 Ų | 163 | 73 Ų | 73 | 71% | 0.709 | 38% | 0.382 | S | S | * | . | trans | -92.7 | 13.4 | -174.9 | -58 | -171.1 | 177.8 | -175.2 | 0 | 114.9 | S25 Q29 | S25-K27 PolarHBondContact O-N 3.41Å; K27-Q29 HydrophobicContact CB-CG 4.18Å; K27-Q29 PolarHBondContact O-N 3.16Å | ||
| 28 | Q | 83.3 | Confident | 88.4 | Confident | 86 Ų | 86 | 71.7 Ų | 71.7 | 40% | 0.402 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 54.1 | 21.4 | -178.9 | -60.2 | 172.5 | 23.7 | 0 | 0 | 116 | F26 S30 E210 | F26-Q28 HydrophobicContact CD1-CG 4.07Å; F26-Q28 HydrophobicContact CE1-CB 4.32Å; F26-Q28 HydrophobicContact CE1-CG 3.65Å; F26-Q28 HydrophobicContact CZ-CB 4.45Å; F26-Q28 HydrophobicContact CZ-CG 4.25Å; Q28-S30 PolarHBondContact O-N 3.2Å; Q28-E210 PolarHBondContact NE2-OE1 2.94Å |
| 29 | Q | 84.9 | Confident | 88.3 | Confident | 172 Ų | 172 | 69.5 Ų | 69.5 | 80% | 0.804 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -78.7 | -2.2 | 176.6 | -64.4 | 177.3 | -7.2 | 0 | 0 | 113.1 | K27 | K27-Q29 HydrophobicContact CB-CG 4.18Å; K27-Q29 PolarHBondContact O-N 3.16Å |
| 30 | S | 84.8 | Confident | 88.4 | Confident | 39 Ų | 39 | 69.3 Ų | 69.3 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -152.9 | 164.5 | 176.1 | 64.7 | 0 | 0 | 0 | 0 | 108.7 | F26 Q28 | F26-S30 WeakPolarHBondContact CE2-O 3.41Å; F26-S30 WeakPolarHBondContact CZ-O 3.27Å; Q28-S30 PolarHBondContact O-N 3.2Å |
| 31 | R | 85.8 | Confident | 88.5 | Confident | 132 Ų | 132 | 64.6 Ų | 64.6 | 50% | 0.498 | 33% | 0.334 | S | S | . | . | trans | -53.2 | 142.3 | 168.6 | -66.6 | -171.8 | 71.9 | 170.6 | 7 | 111.8 | S33 T34 W35 E200 | R31-S33 VanDerWaalsContact C-N 3.31Å; R31-S33 PolarHBondContact O-N 3.44Å; R31-T34 WeakPolarHBondContact O-CA 3.47Å; R31-T34 VanDerWaalsContact O-CB 3.29Å; R31-T34 WeakPolarHBondContact O-CB 3.37Å; R31-T34 PolarHBondContact O-N 3.24Å; R31-W35 PolarHBondContact O-N 3.31Å; R31-W35 VanDerWaalsContact O-N 3.17Å; R31-E200 WeakPolarHBondContact CB-OE1 3.35Å; R31-E200 WeakPolarHBondContact CB-OE2 3.29Å; R31-E200 IonicContact CZ-OE2 2.76Å; R31-E200 VanDerWaalsContact NE-CD 3.31Å; R31-E200 IonicContact NE-OE1 3.33Å; R31-E200 IonicContact NE-OE2 3.35Å; R31-E200 PolarHBondContact NE-OE2 3.15Å; R31-E200 VanDerWaalsContact NH2-CG 3.28Å; R31-E200 IonicContact NH2-OE2 3.24Å; R31-E200 PolarHBondContact NH2-OE2 2.92Å; R31-E200 VanDerWaalsContact NH2-OE2 3.08Å | ||
| 32 | F | 87.3 | Confident | 88.5 | Confident | 26 Ų | 26 | 61 Ų | 61 | 11% | 0.114 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.7 | -43.4 | -179.3 | -178.7 | -108.6 | 0 | 0 | 0 | 112.9 | L23 F26 T34 W35 V36 M199 E200 D203 | L23-F32 HydrophobicContact CD1-CE2 3.6Å; L23-F32 HydrophobicContact CD1-CZ 4Å; F26-F32 HydrophobicContact CD1-CD2 4.09Å; F26-F32 HydrophobicContact CE1-CB 4.34Å; F26-F32 HydrophobicContact CE1-CD2 4.02Å; F26-F32 HydrophobicContact CG-CD2 4.49Å; F26-F32 HydrophobicContact CZ-CB 4.24Å; F26-F32 HydrophobicContact CZ-CD2 4.37Å; F32-T34 PolarHBondContact O-N 2.98Å; F32-W35 HydrophobicContact CD2-CE3 4.17Å; F32-W35 AromaticContact CE2-CE3 3.82Å; F32-W35 HydrophobicContact CE2-CE3 3.82Å; F32-W35 AromaticContact CE2-CZ3 3.85Å; F32-W35 HydrophobicContact CE2-CZ3 3.85Å; F32-W35 HydrophobicContact CZ-CZ3 4.42Å; F32-W35 WeakPolarHBondContact O-CB 3.27Å; F32-W35 PolarHBondContact O-N 3.45Å; F32-W35 VanDerWaalsContact O-N 3.1Å; F32-V36 HydrophobicContact CD1-CG2 4.18Å; F32-V36 HydrophobicContact CE1-CG2 3.74Å; F32-V36 HydrophobicContact CE2-CG2 4.19Å; F32-V36 HydrophobicContact CZ-CG2 3.74Å; F32-V36 PolarHBondContact O-N 3.38Å; F32-M199 HydrophobicContact CD1-CB 4.11Å; F32-M199 HydrophobicContact CD1-CE 4.1Å; F32-M199 HydrophobicContact CE1-CB 4.41Å; F32-M199 HydrophobicContact CE1-CE 3.93Å; F32-E200 PolarHBondContact N-OE1 3.32Å; F32-D203 HydrophobicContact CB-CB 3.6Å; F32-D203 HydrophobicContact CD1-CB 4.4Å; F32-D203 HydrophobicContact CD2-CB 4.46Å; F32-D203 HydrophobicContact CG-CB 3.93Å |
| 33 | S | 87.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.6 | -35.8 | 174.7 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | R31 V36 Y37 K196 E200 | R31-S33 VanDerWaalsContact C-N 3.31Å; R31-S33 PolarHBondContact O-N 3.44Å; S33-V36 PolarHBondContact O-N 3.16Å; S33-Y37 WeakPolarHBondContact O-CB 3.37Å; S33-Y37 WeakPolarHBondContact O-CD2 3.44Å; S33-Y37 PolarHBondContact O-N 3.24Å; S33-K196 VanDerWaalsContact OG-CE 3.32Å; S33-K196 WeakPolarHBondContact OG-CE 3.47Å; S33-E200 WeakPolarHBondContact CA-OE1 3.5Å; S33-E200 WeakPolarHBondContact CB-OE1 3.4Å; S33-E200 PolarHBondContact N-OE1 3.49Å; S33-E200 PolarHBondContact OG-OE1 2.9Å |
| 34 | T | 87 | Confident | 89 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 12% | 0.117 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68 | -39.5 | 178.2 | -56.9 | 0 | 0 | 0 | 0 | 111 | R31 F32 R38 L125 | R31-T34 WeakPolarHBondContact O-CA 3.47Å; R31-T34 VanDerWaalsContact O-CB 3.29Å; R31-T34 WeakPolarHBondContact O-CB 3.37Å; R31-T34 PolarHBondContact O-N 3.24Å; F32-T34 PolarHBondContact O-N 2.98Å; T34-R38 PolarHBondContact O-N 3.12Å; T34-L125 HydrophobicContact CG2-CD2 4.03Å; T34-L125 VanDerWaalsContact O-CD2 3.31Å; T34-L125 WeakPolarHBondContact O-CD2 3.46Å |
| 35 | W | 90.5 | Very high | 89.2 | Confident | 30 Ų | 30 | 51.7 Ų | 51.7 | 11% | 0.114 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -45.5 | 174.6 | 178.2 | 83.6 | 0 | 0 | 0 | 111.7 | I19 N22 L23 F26 R31 F32 Y37 R38 I39 | I19-W35 HydrophobicContact CG2-CZ3 4.13Å; N22-W35 HydrophobicContact CB-CH2 4.2Å; N22-W35 HydrophobicContact CB-CZ2 4.02Å; N22-W35 WeakPolarHBondContact O-CH2 3.17Å; N22-W35 VanDerWaalsContact O-CZ2 3.29Å; N22-W35 WeakPolarHBondContact O-CZ2 3.26Å; L23-W35 HydrophobicContact CD1-CZ3 4.41Å; F26-W35 HydrophobicContact CB-CD2 4.23Å; F26-W35 HydrophobicContact CB-CZ2 4.23Å; F26-W35 HydrophobicContact CD2-CB 3.71Å; F26-W35 AromaticContact CD2-CD1 3.7Å; F26-W35 AromaticContact CD2-CD2 3.81Å; F26-W35 HydrophobicContact CD2-CD2 3.81Å; F26-W35 HydrophobicContact CD2-CE3 4.41Å; F26-W35 AromaticContact CD2-CG 3.46Å; F26-W35 HydrophobicContact CD2-CG 3.46Å; F26-W35 VanDerWaalsContact CD2-CG 3.46Å; F26-W35 HydrophobicContact CE2-CB 3.65Å; F26-W35 AromaticContact CE2-CG 3.96Å; F26-W35 HydrophobicContact CE2-CG 3.96Å; F26-W35 HydrophobicContact CG-CD2 4.28Å; F26-W35 HydrophobicContact CG-CG 4.38Å; R31-W35 PolarHBondContact O-N 3.31Å; R31-W35 VanDerWaalsContact O-N 3.17Å; F32-W35 HydrophobicContact CD2-CE3 4.17Å; F32-W35 AromaticContact CE2-CE3 3.82Å; F32-W35 HydrophobicContact CE2-CE3 3.82Å; F32-W35 AromaticContact CE2-CZ3 3.85Å; F32-W35 HydrophobicContact CE2-CZ3 3.85Å; F32-W35 HydrophobicContact CZ-CZ3 4.42Å; F32-W35 WeakPolarHBondContact O-CB 3.27Å; F32-W35 PolarHBondContact O-N 3.45Å; F32-W35 VanDerWaalsContact O-N 3.1Å; W35-Y37 PolarHBondContact O-N 2.78Å; W35-R38 WeakPolarHBondContact O-CB 3.49Å; W35-R38 PolarHBondContact O-N 3.34Å; W35-R38 VanDerWaalsContact O-N 3.15Å; W35-I39 HydrophobicContact CD2-CD1 4Å; W35-I39 HydrophobicContact CE3-CD1 4.03Å; W35-I39 HydrophobicContact CH2-CD1 3.5Å; W35-I39 HydrophobicContact CZ2-CD1 3.48Å; W35-I39 VanDerWaalsContact CZ2-CD1 3.48Å; W35-I39 HydrophobicContact CZ3-CD1 3.8Å; W35-I39 PolarHBondContact O-N 2.9Å; W35-I39 VanDerWaalsContact O-N 3.12Å |
| 36 | V | 91.6 | Very high | 89.3 | Confident | 16 Ų | 16 | 52 Ų | 52 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 174.6 | 169.3 | 0 | 0 | 0 | 0 | 111.8 | I19 F32 S33 R38 I39 A40 M199 | I19-V36 HydrophobicContact CD1-CB 4.44Å; I19-V36 HydrophobicContact CD1-CG1 3.53Å; I19-V36 HydrophobicContact CD1-CG2 4.3Å; I19-V36 HydrophobicContact CG1-CG1 4.26Å; I19-V36 HydrophobicContact CG1-CG2 4.34Å; I19-V36 HydrophobicContact CG2-CG2 4.26Å; F32-V36 HydrophobicContact CD1-CG2 4.18Å; F32-V36 HydrophobicContact CE1-CG2 3.74Å; F32-V36 HydrophobicContact CE2-CG2 4.19Å; F32-V36 HydrophobicContact CZ-CG2 3.74Å; F32-V36 PolarHBondContact O-N 3.38Å; S33-V36 PolarHBondContact O-N 3.16Å; V36-R38 PolarHBondContact O-N 3.23Å; V36-I39 PolarHBondContact O-N 3.12Å; V36-I39 VanDerWaalsContact O-N 3.14Å; V36-A40 PolarHBondContact O-N 3.27Å; V36-M199 HydrophobicContact CB-CE 3.73Å; V36-M199 HydrophobicContact CG1-CE 3.69Å; V36-M199 HydrophobicContact CG2-CE 3.63Å |
| 37 | Y | 90.5 | Very high | 89.4 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.6 | -36.2 | 176.3 | -85.3 | -59.1 | 0 | 0 | 0 | 111.9 | S33 W35 A40 V41 M117 L125 K196 | S33-Y37 WeakPolarHBondContact O-CB 3.37Å; S33-Y37 WeakPolarHBondContact O-CD2 3.44Å; S33-Y37 PolarHBondContact O-N 3.24Å; W35-Y37 PolarHBondContact O-N 2.78Å; Y37-A40 PolarHBondContact O-N 3.11Å; Y37-V41 VanDerWaalsContact O-CB 3.3Å; Y37-V41 WeakPolarHBondContact O-CB 3.35Å; Y37-V41 VanDerWaalsContact O-CG2 3.26Å; Y37-V41 WeakPolarHBondContact O-CG2 3.43Å; Y37-V41 PolarHBondContact O-N 2.75Å; Y37-M117 HydrophobicContact CD1-CE 4.5Å; Y37-M117 HydrophobicContact CE1-CE 4.42Å; Y37-L125 VanDerWaalsContact CB-CD2 3.49Å; Y37-L125 HydrophobicContact CG-CD1 4.32Å; Y37-K196 HydrophobicContact CE2-CD 4.5Å |
| 38 | R | 91.6 | Very high | 89.5 | Confident | 82 Ų | 82 | 44.7 Ų | 44.7 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.7 | -43.7 | 177.5 | -176.8 | 178.7 | -72.6 | 160.2 | -0.5 | 111 | T34 W35 V36 N42 G124 L125 | T34-R38 PolarHBondContact O-N 3.12Å; W35-R38 WeakPolarHBondContact O-CB 3.49Å; W35-R38 PolarHBondContact O-N 3.34Å; W35-R38 VanDerWaalsContact O-N 3.15Å; V36-R38 PolarHBondContact O-N 3.23Å; R38-N42 VanDerWaalsContact O-CB 3.23Å; R38-N42 WeakPolarHBondContact O-CB 3.26Å; R38-N42 PolarHBondContact O-N 3.35Å; R38-N42 PolarHBondContact O-ND2 3.33Å; R38-G124 PolarHBondContact NE-O 3.35Å; R38-G124 PolarHBondContact NH2-O 2.63Å; R38-L125 HydrophobicContact CB-CD2 4.13Å |
| 39 | I | 93.4 | Very high | 89.4 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 14% | 0.138 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.7 | -49.6 | 174.2 | -66.7 | 173.6 | 0 | 0 | 0 | 110 | K18 I19 W35 V36 N42 H43 | K18-I39 HydrophobicContact CB-CG2 3.89Å; I19-I39 HydrophobicContact CG1-CD1 4.2Å; I19-I39 HydrophobicContact CG1-CG2 4.34Å; W35-I39 HydrophobicContact CD2-CD1 4Å; W35-I39 HydrophobicContact CE3-CD1 4.03Å; W35-I39 HydrophobicContact CH2-CD1 3.5Å; W35-I39 HydrophobicContact CZ2-CD1 3.48Å; W35-I39 VanDerWaalsContact CZ2-CD1 3.48Å; W35-I39 HydrophobicContact CZ3-CD1 3.8Å; W35-I39 PolarHBondContact O-N 2.9Å; W35-I39 VanDerWaalsContact O-N 3.12Å; V36-I39 PolarHBondContact O-N 3.12Å; V36-I39 VanDerWaalsContact O-N 3.14Å; I39-N42 PolarHBondContact O-N 3.01Å; I39-H43 VanDerWaalsContact O-CB 3.22Å; I39-H43 WeakPolarHBondContact O-CB 3.45Å; I39-H43 PolarHBondContact O-N 3.03Å |
| 40 | A | 94.5 | Very high | 89.3 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 16% | 0.157 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.7 | -49.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I15 V36 Y37 N42 H43 L44 | I15-A40 HydrophobicContact CD1-CB 4.02Å; I15-A40 HydrophobicContact CG2-CB 3.97Å; V36-A40 PolarHBondContact O-N 3.27Å; Y37-A40 PolarHBondContact O-N 3.11Å; A40-N42 PolarHBondContact O-N 3.42Å; A40-H43 PolarHBondContact O-N 3.33Å; A40-L44 WeakPolarHBondContact O-CB 3.24Å; A40-L44 VanDerWaalsContact O-CG 3.24Å; A40-L44 WeakPolarHBondContact O-CG 3.47Å; A40-L44 PolarHBondContact O-N 3.28Å |
| 41 | V | 93.2 | Very high | 88.7 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 179.5 | 166.3 | 0 | 0 | 0 | 0 | 111 | Y37 H43 L44 I45 L111 L125 L126 | Y37-V41 VanDerWaalsContact O-CB 3.3Å; Y37-V41 WeakPolarHBondContact O-CB 3.35Å; Y37-V41 VanDerWaalsContact O-CG2 3.26Å; Y37-V41 WeakPolarHBondContact O-CG2 3.43Å; Y37-V41 PolarHBondContact O-N 2.75Å; V41-H43 VanDerWaalsContact C-N 3.34Å; V41-H43 PolarHBondContact O-N 3.24Å; V41-L44 PolarHBondContact O-N 2.89Å; V41-I45 HydrophobicContact CG1-CD1 3.62Å; V41-I45 HydrophobicContact CG1-CG1 4.4Å; V41-I45 WeakPolarHBondContact O-CB 3.38Å; V41-I45 VanDerWaalsContact O-CG1 3.29Å; V41-I45 WeakPolarHBondContact O-CG1 3.33Å; V41-I45 PolarHBondContact O-N 3.44Å; V41-L111 HydrophobicContact CG2-CD1 4.26Å; V41-L125 HydrophobicContact CG2-CD1 4.4Å; V41-L126 HydrophobicContact CG1-CD2 3.79Å |
| 42 | N | 91.6 | Very high | 87.5 | Confident | 65 Ų | 65 | 44.1 Ų | 44.1 | 35% | 0.348 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 179.4 | -72.3 | -14.6 | 0 | 0 | 0 | 111.7 | R38 I39 A40 T46 | R38-N42 VanDerWaalsContact O-CB 3.23Å; R38-N42 WeakPolarHBondContact O-CB 3.26Å; R38-N42 PolarHBondContact O-N 3.35Å; R38-N42 PolarHBondContact O-ND2 3.33Å; I39-N42 PolarHBondContact O-N 3.01Å; A40-N42 PolarHBondContact O-N 3.42Å; N42-T46 WeakPolarHBondContact O-CB 3.49Å; N42-T46 PolarHBondContact O-N 2.96Å; N42-T46 PolarHBondContact O-OG1 2.94Å |
| 43 | H | 94.2 | Very high | 86 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.3 | -53.5 | 175.4 | 177.8 | 107.9 | 0 | 0 | 0 | 110.7 | E14 I15 K18 I39 A40 V41 I45 T46 V47 | E14-H43 VanDerWaalsContact CB-CE1 3.43Å; E14-H43 WeakPolarHBondContact CB-CE1 3.15Å; E14-H43 IonicContact OE2-CE1 3.78Å; E14-H43 PolarHBondContact OE2-CE1 3.14Å; E14-H43 IonicContact OE2-ND1 2.75Å; I15-H43 HydrophobicContact CD1-CB 4.17Å; I15-H43 HydrophobicContact CG1-CB 3.73Å; K18-H43 PolarHBondContact NZ-ND1 2.95Å; I39-H43 VanDerWaalsContact O-CB 3.22Å; I39-H43 WeakPolarHBondContact O-CB 3.45Å; I39-H43 PolarHBondContact O-N 3.03Å; A40-H43 PolarHBondContact O-N 3.33Å; V41-H43 VanDerWaalsContact C-N 3.34Å; V41-H43 PolarHBondContact O-N 3.24Å; H43-I45 PolarHBondContact O-N 3.39Å; H43-T46 WeakPolarHBondContact O-CA 3.45Å; H43-T46 WeakPolarHBondContact O-CB 3.26Å; H43-T46 PolarHBondContact O-N 3.11Å; H43-V47 WeakPolarHBondContact NE2-CG2 3.45Å; H43-V47 PolarHBondContact O-N 2.96Å |
| 44 | L | 93.6 | Very high | 84.6 | Confident | 34 Ų | 34 | 59.2 Ų | 59.2 | 18% | 0.178 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | -176.3 | -68.6 | 170.8 | 0 | 0 | 0 | 112.2 | M1 L2 A11 I15 A40 V41 T46 V47 Q48 | M1-L44 HydrophobicContact CB-CD1 4.33Å; M1-L44 HydrophobicContact CE-CB 3.99Å; M1-L44 HydrophobicContact CG-CD1 4.19Å; L2-L44 HydrophobicContact CD1-CD2 3.78Å; L2-L44 HydrophobicContact CD2-CD2 4.02Å; L2-L44 HydrophobicContact CG-CD2 3.9Å; A11-L44 HydrophobicContact CB-CD2 3.96Å; I15-L44 HydrophobicContact CD1-CD2 4.29Å; I15-L44 HydrophobicContact CD1-CG 4.1Å; A40-L44 WeakPolarHBondContact O-CB 3.24Å; A40-L44 VanDerWaalsContact O-CG 3.24Å; A40-L44 WeakPolarHBondContact O-CG 3.47Å; A40-L44 PolarHBondContact O-N 3.28Å; V41-L44 PolarHBondContact O-N 2.89Å; L44-T46 VanDerWaalsContact C-N 3.29Å; L44-T46 PolarHBondContact O-N 3.02Å; L44-V47 PolarHBondContact O-N 3.42Å; L44-Q48 WeakPolarHBondContact O-CB 3.45Å; L44-Q48 WeakPolarHBondContact O-CG 3.43Å; L44-Q48 PolarHBondContact O-N 2.98Å |
| 45 | I | 89.5 | Confident | 83.5 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 7% | 0.072 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 174.7 | -69.6 | 171.3 | 0 | 0 | 0 | 110.4 | V41 H43 Q48 R49 C107 L126 | V41-I45 HydrophobicContact CG1-CD1 3.62Å; V41-I45 HydrophobicContact CG1-CG1 4.4Å; V41-I45 WeakPolarHBondContact O-CB 3.38Å; V41-I45 VanDerWaalsContact O-CG1 3.29Å; V41-I45 WeakPolarHBondContact O-CG1 3.33Å; V41-I45 PolarHBondContact O-N 3.44Å; H43-I45 PolarHBondContact O-N 3.39Å; I45-Q48 PolarHBondContact O-N 3.5Å; I45-R49 HydrophobicContact CG2-CG 4.34Å; I45-R49 WeakPolarHBondContact O-CB 3.29Å; I45-R49 VanDerWaalsContact O-CG 3.28Å; I45-R49 WeakPolarHBondContact O-CG 3.49Å; I45-R49 PolarHBondContact O-N 3.36Å; I45-C107 HydrophobicContact CD1-CB 4.34Å; I45-C107 HydrophobicContact CG1-CB 4.41Å; I45-L126 HydrophobicContact CD1-CD2 3.97Å |
| 46 | T | 89.7 | Confident | 82.7 | Confident | 70 Ų | 70 | 71.6 Ų | 71.6 | 43% | 0.429 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 178.1 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | N42 H43 L44 Q48 R49 K50 | N42-T46 WeakPolarHBondContact O-CB 3.49Å; N42-T46 PolarHBondContact O-N 2.96Å; N42-T46 PolarHBondContact O-OG1 2.94Å; H43-T46 WeakPolarHBondContact O-CA 3.45Å; H43-T46 WeakPolarHBondContact O-CB 3.26Å; H43-T46 PolarHBondContact O-N 3.11Å; L44-T46 VanDerWaalsContact C-N 3.29Å; L44-T46 PolarHBondContact O-N 3.02Å; T46-Q48 VanDerWaalsContact C-N 3.32Å; T46-Q48 PolarHBondContact O-N 3.28Å; T46-R49 PolarHBondContact O-N 3.13Å; T46-K50 PolarHBondContact O-N 3.3Å; T46-K50 VanDerWaalsContact O-N 3.08Å |
| 47 | V | 89.2 | Confident | 82.5 | Confident | 30 Ų | 30 | 74.3 Ų | 74.3 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 175.9 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | L2 H43 L44 R49 K50 R51 | L2-V47 HydrophobicContact CD1-CG1 4.45Å; L2-V47 HydrophobicContact CD2-CB 4.19Å; L2-V47 HydrophobicContact CD2-CG1 3.82Å; H43-V47 WeakPolarHBondContact NE2-CG2 3.45Å; H43-V47 PolarHBondContact O-N 2.96Å; L44-V47 PolarHBondContact O-N 3.42Å; V47-R49 PolarHBondContact O-N 3.2Å; V47-K50 PolarHBondContact O-N 3.49Å; V47-R51 WeakPolarHBondContact O-CG 3.49Å; V47-R51 PolarHBondContact O-N 2.88Å; V47-R51 VanDerWaalsContact O-N 3.09Å |
| 48 | Q | 85.9 | Confident | 82.5 | Confident | 6 Ų | 6 | 74 Ų | 74 | 3% | 0.028 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 176.5 | -75.7 | 172.8 | -15.9 | 0 | 0 | 112.6 | M1 L2 L44 I45 T46 K50 R51 S52 P103 | M1-Q48 PolarHBondContact O-NE2 3.21Å; M1-Q48 PolarHBondContact SD-NE2 2.93Å; L2-Q48 HydrophobicContact CD2-CG 3.86Å; L44-Q48 WeakPolarHBondContact O-CB 3.45Å; L44-Q48 WeakPolarHBondContact O-CG 3.43Å; L44-Q48 PolarHBondContact O-N 2.98Å; I45-Q48 PolarHBondContact O-N 3.5Å; T46-Q48 VanDerWaalsContact C-N 3.32Å; T46-Q48 PolarHBondContact O-N 3.28Å; Q48-K50 VanDerWaalsContact C-N 3.32Å; Q48-K50 PolarHBondContact O-N 3.18Å; Q48-R51 CarbonylContact O-C 3.47Å; Q48-R51 PolarHBondContact O-N 2.89Å; Q48-S52 WeakPolarHBondContact O-CB 3.38Å; Q48-S52 PolarHBondContact O-N 3.11Å; Q48-P103 HydrophobicContact CB-CB 3.91Å; Q48-P103 HydrophobicContact CB-CG 4.07Å |
| 49 | R | 81.6 | Confident | 82.6 | Confident | 138 Ų | 138 | 70.7 Ų | 70.7 | 52% | 0.521 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 178.7 | -76.7 | 174.7 | -179.7 | 177.1 | 0.9 | 111.7 | I45 T46 V47 R51 S52 E104 | I45-R49 HydrophobicContact CG2-CG 4.34Å; I45-R49 WeakPolarHBondContact O-CB 3.29Å; I45-R49 VanDerWaalsContact O-CG 3.28Å; I45-R49 WeakPolarHBondContact O-CG 3.49Å; I45-R49 PolarHBondContact O-N 3.36Å; T46-R49 PolarHBondContact O-N 3.13Å; V47-R49 PolarHBondContact O-N 3.2Å; R49-R51 VanDerWaalsContact C-N 3.34Å; R49-S52 WeakPolarHBondContact O-CB 3.34Å; R49-S52 PolarHBondContact O-N 2.89Å; R49-E104 IonicContact NH2-OE1 3.86Å; R49-E104 PolarHBondContact NH2-OE1 3.08Å |
| 50 | K | 81.2 | Confident | 82.5 | Confident | 164 Ų | 164 | 74.6 Ų | 74.6 | 71% | 0.713 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.5 | -42.1 | 173.7 | -70.6 | -178.5 | 178.1 | -175.4 | 0 | 111.9 | T46 V47 Q48 | T46-K50 PolarHBondContact O-N 3.3Å; T46-K50 VanDerWaalsContact O-N 3.08Å; V47-K50 PolarHBondContact O-N 3.49Å; Q48-K50 VanDerWaalsContact C-N 3.32Å; Q48-K50 PolarHBondContact O-N 3.18Å |
| 51 | R | 73.7 | Confident | 82.3 | Confident | 80 Ų | 80 | 78.1 Ų | 78.1 | 30% | 0.302 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -74.8 | -29.2 | 178 | -70.2 | 178 | -179.8 | -154.3 | -10.7 | 114.3 | L2 D7 V47 Q48 R49 F53 Q54 | L2-R51 PolarHBondContact O-NH1 3.32Å; D7-R51 VanDerWaalsContact CG-CZ 3.49Å; D7-R51 VanDerWaalsContact CG-NH1 3.26Å; D7-R51 IonicContact OD1-CZ 2.74Å; D7-R51 IonicContact OD1-NH1 3.13Å; D7-R51 IonicContact OD1-NH2 3.98Å; D7-R51 PolarHBondContact OD1-NH2 3.23Å; D7-R51 IonicContact OD2-CZ 2.9Å; D7-R51 IonicContact OD2-NH1 2.83Å; D7-R51 PolarHBondContact OD2-NH1 3.42Å; D7-R51 IonicContact OD2-NH2 3.11Å; D7-R51 PolarHBondContact OD2-NH2 3.24Å; V47-R51 WeakPolarHBondContact O-CG 3.49Å; V47-R51 PolarHBondContact O-N 2.88Å; V47-R51 VanDerWaalsContact O-N 3.09Å; Q48-R51 CarbonylContact O-C 3.47Å; Q48-R51 PolarHBondContact O-N 2.89Å; R49-R51 VanDerWaalsContact C-N 3.34Å; R51-F53 PolarHBondContact O-N 3.1Å; R51-Q54 WeakPolarHBondContact O-CA 3.5Å; R51-Q54 VanDerWaalsContact O-CB 3.3Å; R51-Q54 WeakPolarHBondContact O-CB 3.23Å; R51-Q54 PolarHBondContact O-N 3.44Å |
| 52 | S | 59.2 | Low | 82.2 | Confident | 35 Ų | 35 | 78.6 Ų | 78.6 | 25% | 0.245 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -14.6 | 179.5 | -153.2 | 0 | 0 | 0 | 0 | 112.9 | Q48 R49 Q56 | Q48-S52 WeakPolarHBondContact O-CB 3.38Å; Q48-S52 PolarHBondContact O-N 3.11Å; R49-S52 WeakPolarHBondContact O-CB 3.34Å; R49-S52 PolarHBondContact O-N 2.89Å; S52-Q56 PolarHBondContact O-NE2 3.24Å; S52-Q56 VanDerWaalsContact OG-CD 3.29Å; S52-Q56 PolarHBondContact OG-NE2 3.16Å |
| 53 | F | 56 | Low | 82.1 | Confident | 200 Ų | 200 | 78.8 Ų | 78.8 | 88% | 0.877 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17 | 170.6 | -131.7 | -87.4 | 0 | 0 | 0 | 113 | R51 | R51-F53 PolarHBondContact O-N 3.1Š|
| 54 | Q | 59.6 | Low | 82 | Confident | 144 Ų | 144 | 85.4 Ų | 85.4 | 67% | 0.673 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -90.4 | 155.4 | 169.6 | -59.8 | 174.8 | -28.9 | 0 | 0 | 109.6 | R51 Q56 | R51-Q54 WeakPolarHBondContact O-CA 3.5Å; R51-Q54 VanDerWaalsContact O-CB 3.3Å; R51-Q54 WeakPolarHBondContact O-CB 3.23Å; R51-Q54 PolarHBondContact O-N 3.44Å; Q54-Q56 PolarHBondContact O-N 3.45Å |
| 55 | E | 62.5 | Low | 81.7 | Confident | 201 Ų | 201 | 85.1 Ų | 85.1 | 94% | 0.939 | 40% | 0.401 | S | S | * | . | trans | -44.1 | 114.2 | -174.8 | -71.8 | -174.7 | 159.3 | 0 | 0 | 112.2 | ||||
| 56 | Q | 74.5 | Confident | 81.6 | Confident | 107 Ų | 107 | 85.5 Ų | 85.5 | 50% | 0.5 | 40% | 0.403 | S | S | . | . | trans | -78 | 130.8 | -177.1 | -71.1 | 171.9 | 32.8 | 0 | 0 | 109.9 | S52 Q54 T58 | S52-Q56 PolarHBondContact O-NE2 3.24Å; S52-Q56 VanDerWaalsContact OG-CD 3.29Å; S52-Q56 PolarHBondContact OG-NE2 3.16Å; Q54-Q56 PolarHBondContact O-N 3.45Å; Q56-T58 WeakPolarHBondContact O-CG2 3.22Å; Q56-T58 PolarHBondContact O-N 3.09Å | ||
| 57 | L | 86.3 | Confident | 81.5 | Confident | 74 Ų | 74 | 85.6 Ų | 85.6 | 39% | 0.387 | 40% | 0.401 | S | S | . | . | trans | -58.3 | 133.2 | 162.5 | -69.7 | 167.6 | 0 | 0 | 0 | 108.6 | L61 I96 Q99 C100 | L57-L61 HydrophobicContact CD2-CD2 4.1Å; L57-I96 HydrophobicContact CD1-CG2 4.3Å; L57-Q99 HydrophobicContact CB-CB 4.15Å; L57-Q99 HydrophobicContact CD1-CB 3.57Å; L57-Q99 HydrophobicContact CD1-CG 4.03Å; L57-Q99 HydrophobicContact CG-CB 4.46Å; L57-C100 WeakPolarHBondContact O-CA 3.42Å | ||
| 58 | T | 91.9 | Very high | 81.2 | Confident | 50 Ų | 50 | 88.5 Ų | 88.5 | 31% | 0.307 | 41% | 0.412 | S | S | . | . | trans | -126.2 | 158.7 | 177.8 | 68.4 | 0 | 0 | 0 | 0 | 110.5 | Q56 E60 L61 M62 C100 | Q56-T58 WeakPolarHBondContact O-CG2 3.22Å; Q56-T58 PolarHBondContact O-N 3.09Å; T58-E60 VanDerWaalsContact CB-OE2 3.27Å; T58-E60 WeakPolarHBondContact CB-OE2 3.38Å; T58-E60 PolarHBondContact O-N 3.08Å; T58-E60 PolarHBondContact OG1-OE2 3.46Å; T58-L61 PolarHBondContact O-N 2.93Å; T58-L61 WeakPolarHBondContact OG1-CB 3.24Å; T58-L61 PolarHBondContact OG1-N 3.32Å; T58-L61 VanDerWaalsContact OG1-N 3.09Å; T58-M62 PolarHBondContact O-N 3.06Å; T58-C100 PolarHBondContact O-SG 3.18Å | ||
| 59 | F | 92.4 | Very high | 80.6 | Confident | 12 Ų | 12 | 93.8 Ų | 93.8 | 5% | 0.053 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.5 | -31 | 175.3 | -75.6 | -71.3 | 0 | 0 | 0 | 111.3 | M62 Q63 M97 C100 L101 R143 M144 F147 | F59-M62 PolarHBondContact O-N 3Å; F59-Q63 VanDerWaalsContact O-CB 3.29Å; F59-Q63 WeakPolarHBondContact O-CB 3.46Å; F59-Q63 PolarHBondContact O-N 3.45Å; F59-M97 HydrophobicContact CE1-CB 4.45Å; F59-M97 HydrophobicContact CE1-CG 4.49Å; F59-C100 HydrophobicContact CD1-CB 3.94Å; F59-C100 HydrophobicContact CD2-CB 3.7Å; F59-C100 HydrophobicContact CE1-CB 3.93Å; F59-C100 HydrophobicContact CE2-CB 3.68Å; F59-C100 HydrophobicContact CG-CB 3.85Å; F59-C100 HydrophobicContact CZ-CB 3.81Å; F59-L101 HydrophobicContact CE2-CD2 3.98Å; F59-L101 HydrophobicContact CE2-CG 4.49Å; F59-L101 HydrophobicContact CZ-CD2 4.23Å; F59-L101 HydrophobicContact CZ-CG 4.46Å; F59-R143 HydrophobicContact CD2-CG 4.41Å; F59-R143 HydrophobicContact CE2-CG 3.97Å; F59-M144 HydrophobicContact CE1-SD 4.15Å; F59-M144 HydrophobicContact CZ-CE 4.17Å; F59-M144 HydrophobicContact CZ-SD 4.12Å; F59-F147 HydrophobicContact CB-CD2 3.96Å; F59-F147 HydrophobicContact CB-CE2 4.11Å; F59-F147 HydrophobicContact CD1-CB 3.86Å; F59-F147 AromaticContact CD1-CD1 3.85Å; F59-F147 HydrophobicContact CD1-CD1 3.85Å; F59-F147 AromaticContact CD1-CD2 3.39Å; F59-F147 HydrophobicContact CD1-CD2 3.39Å; F59-F147 HydrophobicContact CD1-CE1 4.23Å; F59-F147 AromaticContact CD1-CE2 3.81Å; F59-F147 HydrophobicContact CD1-CE2 3.81Å; F59-F147 AromaticContact CD1-CG 3.4Å; F59-F147 HydrophobicContact CD1-CG 3.4Å; F59-F147 HydrophobicContact CD1-CZ 4.21Å; F59-F147 HydrophobicContact CE1-CB 3.9Å; F59-F147 AromaticContact CE1-CD1 3.99Å; F59-F147 HydrophobicContact CE1-CD1 3.99Å; F59-F147 HydrophobicContact CE1-CD2 4.23Å; F59-F147 AromaticContact CE1-CG 3.77Å; F59-F147 HydrophobicContact CE1-CG 3.77Å; F59-F147 HydrophobicContact CG-CD2 4.04Å; F59-F147 HydrophobicContact CG-CE2 4.45Å; F59-F147 HydrophobicContact CG-CG 4.38Å; F59-F147 WeakPolarHBondContact O-CE2 3.31Å |
| 60 | E | 92.6 | Very high | 80.3 | Confident | 109 Ų | 109 | 90.1 Ų | 90.1 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 175.6 | -62.4 | 75.5 | -165.8 | 0 | 0 | 111.4 | T58 K64 | T58-E60 VanDerWaalsContact CB-OE2 3.27Å; T58-E60 WeakPolarHBondContact CB-OE2 3.38Å; T58-E60 PolarHBondContact O-N 3.08Å; T58-E60 PolarHBondContact OG1-OE2 3.46Å; E60-K64 WeakPolarHBondContact O-CG 3.47Å; E60-K64 PolarHBondContact O-N 3.47Å; E60-K64 VanDerWaalsContact O-N 3.1Å |
| 61 | L | 89.8 | Confident | 79.7 | Confident | 94 Ų | 94 | 84.8 Ų | 84.8 | 49% | 0.492 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.9 | -43.4 | 175.2 | -175.7 | 66.8 | 0 | 0 | 0 | 111.1 | L57 T58 Q63 K64 D65 | L57-L61 HydrophobicContact CD2-CD2 4.1Å; T58-L61 PolarHBondContact O-N 2.93Å; T58-L61 WeakPolarHBondContact OG1-CB 3.24Å; T58-L61 PolarHBondContact OG1-N 3.32Å; T58-L61 VanDerWaalsContact OG1-N 3.09Å; L61-Q63 VanDerWaalsContact C-N 3.34Å; L61-Q63 PolarHBondContact O-N 3.26Å; L61-K64 PolarHBondContact O-N 3.45Å; L61-D65 PolarHBondContact O-N 3.47Å; L61-D65 VanDerWaalsContact O-N 3.13Å |
| 62 | M | 90.3 | Very high | 79.1 | Confident | 16 Ų | 16 | 88 Ų | 88 | 8% | 0.079 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 177.5 | -166.8 | 173.5 | -162.6 | 0 | 0 | 111.9 | T58 F59 D65 L66 C93 I96 M97 F147 | T58-M62 PolarHBondContact O-N 3.06Å; F59-M62 PolarHBondContact O-N 3Å; M62-D65 PolarHBondContact O-N 3.45Å; M62-L66 HydrophobicContact CG-CD1 4.27Å; M62-L66 VanDerWaalsContact O-CG 3.31Å; M62-L66 WeakPolarHBondContact O-CG 3.13Å; M62-L66 PolarHBondContact O-N 3.49Å; M62-C93 HydrophobicContact CE-CB 4.2Å; M62-I96 HydrophobicContact CE-CB 4.1Å; M62-I96 HydrophobicContact CE-CG2 3.77Å; M62-I96 HydrophobicContact CG-CG2 4.5Å; M62-I96 HydrophobicContact SD-CG2 3.89Å; M62-M97 HydrophobicContact CE-CG 3.61Å; M62-M97 HydrophobicContact SD-CB 4.32Å; M62-M97 HydrophobicContact SD-CG 3.29Å; M62-M97 WeakPolarHBondContact SD-CG 3.29Å; M62-M97 HydrophobicContact SD-SD 4.48Å; M62-F147 HydrophobicContact CB-CE2 4.48Å; M62-F147 HydrophobicContact CB-CZ 3.9Å; M62-F147 HydrophobicContact CG-CE1 4.22Å; M62-F147 HydrophobicContact CG-CZ 3.74Å; M62-F147 HydrophobicContact SD-CE1 3.75Å; M62-F147 HydrophobicContact SD-CZ 3.85Å |
| 63 | Q | 91.4 | Very high | 79.2 | Confident | 69 Ų | 69 | 95 Ų | 95 | 32% | 0.322 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.8 | -50.8 | 172.4 | 168.8 | -179 | -11.2 | 0 | 0 | 110.8 | F59 L61 D65 L66 D67 F147 Y151 | F59-Q63 VanDerWaalsContact O-CB 3.29Å; F59-Q63 WeakPolarHBondContact O-CB 3.46Å; F59-Q63 PolarHBondContact O-N 3.45Å; L61-Q63 VanDerWaalsContact C-N 3.34Å; L61-Q63 PolarHBondContact O-N 3.26Å; Q63-D65 PolarHBondContact O-N 3.35Å; Q63-L66 CarbonylContact O-C 3.53Å; Q63-L66 PolarHBondContact O-N 2.79Å; Q63-D67 WeakPolarHBondContact CG-OD2 3.41Å; Q63-D67 PolarHBondContact NE2-OD2 2.74Å; Q63-D67 WeakPolarHBondContact O-CB 3.45Å; Q63-D67 VanDerWaalsContact O-CG 3.26Å; Q63-D67 PolarHBondContact O-N 3.3Å; Q63-F147 HydrophobicContact CB-CE2 4.27Å; Q63-Y151 HydrophobicContact CB-CE1 4.4Å; Q63-Y151 HydrophobicContact CG-CE1 3.72Å; Q63-Y151 HydrophobicContact CG-CE2 4.42Å; Q63-Y151 WeakPolarHBondContact CG-OH 3.21Å; Q63-Y151 PolarHBondContact NE2-OH 3.24Å; Q63-Y151 VanDerWaalsContact NE2-OH 3.08Å; Q63-Y151 PolarHBondContact OE1-OH 2.72Å |
| 64 | K | 90.1 | Very high | 79.6 | Confident | 147 Ų | 147 | 94.6 Ų | 94.6 | 64% | 0.639 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -56.7 | -37.6 | 179.8 | -74.7 | 178.7 | 179.6 | -177.1 | 0 | 112.3 | E60 L61 Q68 | E60-K64 WeakPolarHBondContact O-CG 3.47Å; E60-K64 PolarHBondContact O-N 3.47Å; E60-K64 VanDerWaalsContact O-N 3.1Å; L61-K64 PolarHBondContact O-N 3.45Å; K64-Q68 VanDerWaalsContact O-CG 3.32Å; K64-Q68 WeakPolarHBondContact O-CG 3.29Å |
| 65 | D | 88.1 | Confident | 79.9 | Confident | 27 Ų | 27 | 89.4 Ų | 89.4 | 14% | 0.144 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 174.1 | 177.3 | 76.3 | 0 | 0 | 0 | 112.7 | L61 M62 Q63 D67 Q68 R164 R173 | L61-D65 PolarHBondContact O-N 3.47Å; L61-D65 VanDerWaalsContact O-N 3.13Å; M62-D65 PolarHBondContact O-N 3.45Å; Q63-D65 PolarHBondContact O-N 3.35Å; D65-D67 VanDerWaalsContact C-N 3.27Å; D65-D67 PolarHBondContact O-N 2.9Å; D65-Q68 WeakPolarHBondContact O-CB 3.1Å; D65-Q68 PolarHBondContact O-N 2.91Å; D65-R164 PolarHBondContact O-NH2 2.91Å; D65-R164 IonicContact OD1-NH2 2.66Å; D65-R164 IonicContact OD2-NH2 3.26Å; D65-R164 PolarHBondContact OD2-NH2 3.48Å; D65-R173 VanDerWaalsContact CG-NH2 3.3Å; D65-R173 IonicContact OD1-CZ 2.57Å; D65-R173 IonicContact OD1-NH1 2.6Å; D65-R173 PolarHBondContact OD1-NH1 3.29Å; D65-R173 IonicContact OD1-NH2 3.92Å; D65-R173 PolarHBondContact OD1-NH2 2.98Å; D65-R173 IonicContact OD2-CZ 3.91Å; D65-R173 IonicContact OD2-NH1 3.33Å; D65-R173 PolarHBondContact OD2-NH1 3.25Å; D65-R173 IonicContact OD2-NH2 3.6Å; D65-R173 PolarHBondContact OD2-NH2 3.49Å |
| 66 | L | 87.4 | Confident | 80.6 | Confident | 22 Ų | 22 | 84.8 Ų | 84.8 | 12% | 0.115 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.6 | -27.8 | 178.3 | -68.6 | 175.8 | 0 | 0 | 0 | 112.7 | M62 Q63 Q68 F147 Y151 C159 R164 | M62-L66 HydrophobicContact CG-CD1 4.27Å; M62-L66 VanDerWaalsContact O-CG 3.31Å; M62-L66 WeakPolarHBondContact O-CG 3.13Å; M62-L66 PolarHBondContact O-N 3.49Å; Q63-L66 CarbonylContact O-C 3.53Å; Q63-L66 PolarHBondContact O-N 2.79Å; L66-Q68 VanDerWaalsContact C-N 3.31Å; L66-F147 HydrophobicContact CD1-CE1 3.98Å; L66-F147 HydrophobicContact CD1-CZ 3.73Å; L66-Y151 HydrophobicContact CB-CD1 4.49Å; L66-Y151 HydrophobicContact CD1-CD1 4.48Å; L66-Y151 HydrophobicContact CD1-CG 4.25Å; L66-C159 HydrophobicContact CD2-CB 4.4Å; L66-R164 PolarHBondContact O-NH1 3.29Å |
| 67 | D | 88 | Confident | 80.8 | Confident | 72 Ų | 72 | 82.7 Ų | 82.7 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -10.3 | 177.6 | -68.4 | -12.8 | 0 | 0 | 0 | 113.3 | Q63 D65 K158 | Q63-D67 WeakPolarHBondContact CG-OD2 3.41Å; Q63-D67 PolarHBondContact NE2-OD2 2.74Å; Q63-D67 WeakPolarHBondContact O-CB 3.45Å; Q63-D67 VanDerWaalsContact O-CG 3.26Å; Q63-D67 PolarHBondContact O-N 3.3Å; D65-D67 VanDerWaalsContact C-N 3.27Å; D65-D67 PolarHBondContact O-N 2.9Å; D67-K158 WeakPolarHBondContact OD1-CE 3.27Å; D67-K158 IonicContact OD1-NZ 3.22Å; D67-K158 PolarHBondContact OD1-NZ 2.91Å |
| 68 | Q | 83.7 | Confident | 80.6 | Confident | 92 Ų | 92 | 82 Ų | 82 | 43% | 0.43 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -65.5 | 138.8 | 177.6 | -62.2 | -168.1 | 11 | 0 | 0 | 111.5 | K64 D65 L66 L70 F167 | K64-Q68 VanDerWaalsContact O-CG 3.32Å; K64-Q68 WeakPolarHBondContact O-CG 3.29Å; D65-Q68 WeakPolarHBondContact O-CB 3.1Å; D65-Q68 PolarHBondContact O-N 2.91Å; L66-Q68 VanDerWaalsContact C-N 3.31Å; Q68-L70 PolarHBondContact O-N 2.95Å; Q68-F167 HydrophobicContact CB-CZ 4.34Å |
| 69 | S | 72.5 | Confident | 80.1 | Confident | 116 Ų | 116 | 85.7 Ų | 85.7 | 81% | 0.811 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 128.6 | 174.9 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 70 | L | 76.1 | Confident | 79.2 | Confident | 62 Ų | 62 | 92 Ų | 92 | 33% | 0.325 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 142.1 | 177.6 | -58.7 | 178.9 | 0 | 0 | 0 | 110.2 | Q68 T72 R163 R164 F167 | Q68-L70 PolarHBondContact O-N 2.95Å; L70-T72 PolarHBondContact O-N 3.14Å; L70-R163 HydrophobicContact CD1-CB 3.84Å; L70-R164 HydrophobicContact CD1-CG 4.05Å; L70-R164 HydrophobicContact CD2-CG 3.68Å; L70-F167 HydrophobicContact CD2-CB 4.29Å; L70-F167 HydrophobicContact CD2-CG 4.46Å |
| 71 | P | 67.5 | Low | 79 | Confident | 52 Ų | 52 | 91.1 Ų | 91.1 | 34% | 0.338 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 134.8 | 172.6 | 25.3 | -30.6 | 0 | 0 | 0 | 109.7 | K73 P166 F167 | P71-K73 PolarHBondContact O-N 3.39Å; P71-P166 HydrophobicContact CG-CB 4.41Å; P71-F167 HydrophobicContact CG-CB 4.17Å |
| 72 | T | 62 | Low | 78.9 | Confident | 147 Ų | 147 | 88.6 Ų | 88.6 | 90% | 0.902 | 48% | 0.477 | S | S | * | . | trans | -70.2 | -8.5 | 179.3 | -43.2 | 0 | 0 | 0 | 0 | 113.4 | L70 E74 | L70-T72 PolarHBondContact O-N 3.14Å; T72-E74 PolarHBondContact O-N 3.12Å | ||
| 73 | K | 60.5 | Low | 78.9 | Confident | 182 Ų | 182 | 91.2 Ų | 91.2 | 79% | 0.791 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 131.9 | -173.1 | -81.7 | -168.9 | 173.4 | -171.5 | 0 | 111.3 | P71 | P71-K73 PolarHBondContact O-N 3.39Š|
| 74 | E | 64.6 | Low | 79 | Confident | 191 Ų | 191 | 92.8 Ų | 92.8 | 89% | 0.893 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 135.1 | 163.5 | -69.9 | 168.8 | 175 | 0 | 0 | 109 | T72 | T72-E74 PolarHBondContact O-N 3.12Š|
| 75 | S | 65.9 | Low | 79.1 | Confident | 35 Ų | 35 | 86.1 Ų | 86.1 | 25% | 0.245 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 141.2 | 175.8 | 151.8 | 0 | 0 | 0 | 0 | 109 | F77 E82 | S75-F77 WeakPolarHBondContact OG-CD2 3.37Å; S75-F77 PolarHBondContact OG-N 3.15Å; S75-E82 WeakPolarHBondContact CB-OE1 3.44Å; S75-E82 PolarHBondContact OG-OE1 3.27Å |
| 76 | A | 76.3 | Confident | 79.3 | Confident | 104 Ų | 104 | 85.2 Ų | 85.2 | 86% | 0.86 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -87.4 | 5.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 77 | F | 79.9 | Confident | 79.6 | Confident | 64 Ų | 64 | 88.1 Ų | 88.1 | 28% | 0.281 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -94.5 | 154 | -177.6 | -58.2 | -72.2 | 0 | 0 | 0 | 110.4 | S75 E81 E82 L85 I169 P176 | S75-F77 WeakPolarHBondContact OG-CD2 3.37Å; S75-F77 PolarHBondContact OG-N 3.15Å; F77-E81 HydrophobicContact CB-CB 3.91Å; F77-E81 HydrophobicContact CD1-CB 4.48Å; F77-E82 HydrophobicContact CB-CG 3.99Å; F77-L85 HydrophobicContact CD1-CD1 4.07Å; F77-L85 HydrophobicContact CD2-CD1 3.81Å; F77-L85 HydrophobicContact CE1-CD1 4.18Å; F77-L85 HydrophobicContact CE2-CD1 3.94Å; F77-L85 HydrophobicContact CG-CD1 3.89Å; F77-L85 HydrophobicContact CZ-CD1 4.13Å; F77-I169 HydrophobicContact CE2-CD1 3.52Å; F77-I169 HydrophobicContact CZ-CD1 3.82Å; F77-P176 HydrophobicContact CE1-CB 4.08Å; F77-P176 HydrophobicContact CE1-CG 4.37Å; F77-P176 HydrophobicContact CZ-CB 4.07Å; F77-P176 HydrophobicContact CZ-CG 3.84Å |
| 78 | S | 82.3 | Confident | 80 | Confident | 59 Ų | 59 | 84.9 Ų | 84.9 | 41% | 0.413 | 46% | 0.462 | S | S | . | . | trans | -70.5 | 160.7 | 168.9 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | L80 E81 E82 | S78-L80 PolarHBondContact O-N 3.03Å; S78-E81 WeakPolarHBondContact CB-OE2 3.37Å; S78-E81 PolarHBondContact N-OE2 2.93Å; S78-E81 PolarHBondContact O-N 2.83Å; S78-E81 VanDerWaalsContact OG-CD 3.28Å; S78-E81 VanDerWaalsContact OG-CG 3.31Å; S78-E81 WeakPolarHBondContact OG-CG 3.32Å; S78-E81 PolarHBondContact OG-OE2 3.17Å; S78-E82 WeakPolarHBondContact O-CG 3.5Å; S78-E82 PolarHBondContact O-N 3.1Å | ||
| 79 | D | 80.2 | Confident | 80.4 | Confident | 127 Ų | 127 | 80.9 Ų | 80.9 | 68% | 0.679 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -53.9 | -38.8 | -179.7 | -70.5 | -16.1 | 0 | 0 | 0 | 113.3 | E82 D83 | D79-E82 PolarHBondContact O-N 2.92Å; D79-D83 PolarHBondContact O-N 3.31Å |
| 80 | L | 75.1 | Confident | 81.4 | Confident | 144 Ų | 144 | 77.9 Ų | 77.9 | 75% | 0.754 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -68.6 | -40.9 | 178.6 | -69.7 | 175.4 | 0 | 0 | 0 | 112.2 | S78 E82 D83 E84 | S78-L80 PolarHBondContact O-N 3.03Å; L80-E82 VanDerWaalsContact C-N 3.32Å; L80-D83 PolarHBondContact O-N 3.11Å; L80-E84 PolarHBondContact O-N 3.5Å; L80-E84 VanDerWaalsContact O-N 3.15Å |
| 81 | E | 87.2 | Confident | 82.2 | Confident | 92 Ų | 92 | 77.9 Ų | 77.9 | 43% | 0.43 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 175.6 | -70.5 | 167.7 | 138.2 | 0 | 0 | 110.7 | F77 S78 E84 L85 | F77-E81 HydrophobicContact CB-CB 3.91Å; F77-E81 HydrophobicContact CD1-CB 4.48Å; S78-E81 WeakPolarHBondContact CB-OE2 3.37Å; S78-E81 PolarHBondContact N-OE2 2.93Å; S78-E81 PolarHBondContact O-N 2.83Å; S78-E81 VanDerWaalsContact OG-CD 3.28Å; S78-E81 VanDerWaalsContact OG-CG 3.31Å; S78-E81 WeakPolarHBondContact OG-CG 3.32Å; S78-E81 PolarHBondContact OG-OE2 3.17Å; E81-E84 PolarHBondContact O-N 3.43Å; E81-L85 VanDerWaalsContact O-CB 3.32Å; E81-L85 WeakPolarHBondContact O-CB 3.42Å; E81-L85 WeakPolarHBondContact O-CG 3.49Å; E81-L85 PolarHBondContact O-N 2.76Å |
| 82 | E | 87.8 | Confident | 83.3 | Confident | 40 Ų | 40 | 76 Ų | 76 | 19% | 0.187 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 174.7 | -72 | -169.3 | 179 | 0 | 0 | 112.8 | S75 F77 S78 D79 L80 A86 | S75-E82 WeakPolarHBondContact CB-OE1 3.44Å; S75-E82 PolarHBondContact OG-OE1 3.27Å; F77-E82 HydrophobicContact CB-CG 3.99Å; S78-E82 WeakPolarHBondContact O-CG 3.5Å; S78-E82 PolarHBondContact O-N 3.1Å; D79-E82 PolarHBondContact O-N 2.92Å; L80-E82 VanDerWaalsContact C-N 3.32Å; E82-A86 WeakPolarHBondContact O-CB 3.47Å; E82-A86 PolarHBondContact O-N 3.43Å |
| 83 | D | 91.2 | Very high | 84.8 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 38% | 0.38 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 175.6 | -82.4 | -31.3 | 0 | 0 | 0 | 111.4 | D79 L80 A86 E87 K162 | D79-D83 PolarHBondContact O-N 3.31Å; L80-D83 PolarHBondContact O-N 3.11Å; D83-A86 PolarHBondContact O-N 2.91Å; D83-E87 WeakPolarHBondContact O-CG 3.5Å; D83-E87 PolarHBondContact O-N 3.3Å; D83-K162 WeakPolarHBondContact OD1-CE 3.08Å; D83-K162 IonicContact OD1-NZ 3.86Å; D83-K162 PolarHBondContact OD1-NZ 3.35Å; D83-K162 IonicContact OD2-NZ 2.98Å |
| 84 | E | 92.2 | Very high | 86.3 | Confident | 103 Ų | 103 | 64.4 Ų | 64.4 | 48% | 0.481 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 178.8 | -169.1 | 174.4 | -154.1 | 0 | 0 | 111.8 | L80 E81 A86 E87 E88 L179 | L80-E84 PolarHBondContact O-N 3.5Å; L80-E84 VanDerWaalsContact O-N 3.15Å; E81-E84 PolarHBondContact O-N 3.43Å; E84-A86 VanDerWaalsContact C-N 3.35Å; E84-A86 PolarHBondContact O-N 2.95Å; E84-E87 PolarHBondContact O-N 2.94Å; E84-E88 WeakPolarHBondContact O-CB 3.49Å; E84-E88 PolarHBondContact O-N 2.96Å; E84-L179 HydrophobicContact CG-CD1 3.52Å; E84-L179 VanDerWaalsContact OE1-CD1 3.3Å; E84-L179 WeakPolarHBondContact OE1-CD1 3.44Å |
| 85 | L | 93.1 | Very high | 87.5 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.3 | -35.5 | 176.1 | -70 | 172.1 | 0 | 0 | 0 | 112.5 | F77 E81 L89 V165 L174 P176 L179 | F77-L85 HydrophobicContact CD1-CD1 4.07Å; F77-L85 HydrophobicContact CD2-CD1 3.81Å; F77-L85 HydrophobicContact CE1-CD1 4.18Å; F77-L85 HydrophobicContact CE2-CD1 3.94Å; F77-L85 HydrophobicContact CG-CD1 3.89Å; F77-L85 HydrophobicContact CZ-CD1 4.13Å; E81-L85 VanDerWaalsContact O-CB 3.32Å; E81-L85 WeakPolarHBondContact O-CB 3.42Å; E81-L85 WeakPolarHBondContact O-CG 3.49Å; E81-L85 PolarHBondContact O-N 2.76Å; L85-L89 VanDerWaalsContact O-CB 3.3Å; L85-L89 WeakPolarHBondContact O-CB 3.35Å; L85-L89 PolarHBondContact O-N 2.84Å; L85-V165 HydrophobicContact CB-CB 4.47Å; L85-V165 HydrophobicContact CB-CG1 3.73Å; L85-V165 HydrophobicContact CB-CG2 3.84Å; L85-V165 HydrophobicContact CD1-CG1 3.79Å; L85-V165 HydrophobicContact CG-CG1 4.34Å; L85-L174 HydrophobicContact CB-CD2 4.13Å; L85-L174 HydrophobicContact CD2-CD1 4.47Å; L85-L174 HydrophobicContact CD2-CD2 4.02Å; L85-L174 HydrophobicContact CD2-CG 4.26Å; L85-P176 HydrophobicContact CD2-CB 4.01Å; L85-P176 HydrophobicContact CD2-CG 4.36Å; L85-L179 HydrophobicContact CD2-CD2 3.9Å |
| 86 | A | 93 | Very high | 88.7 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.7 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E82 D83 E84 L89 K90 C161 K162 V165 | E82-A86 WeakPolarHBondContact O-CB 3.47Å; E82-A86 PolarHBondContact O-N 3.43Å; D83-A86 PolarHBondContact O-N 2.91Å; E84-A86 VanDerWaalsContact C-N 3.35Å; E84-A86 PolarHBondContact O-N 2.95Å; A86-L89 PolarHBondContact O-N 2.66Å; A86-K90 WeakPolarHBondContact O-CB 3.28Å; A86-K90 PolarHBondContact O-N 3.27Å; A86-C161 HydrophobicContact CB-CB 4.02Å; A86-K162 HydrophobicContact CB-CG 3.75Å; A86-V165 HydrophobicContact CB-CG2 4.3Å |
| 87 | E | 93.5 | Very high | 89.4 | Confident | 83 Ų | 83 | 52.1 Ų | 52.1 | 39% | 0.388 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 172.7 | -76.9 | -62.7 | 122.3 | 0 | 0 | 111.5 | D83 E84 L89 K90 L91 | D83-E87 WeakPolarHBondContact O-CG 3.5Å; D83-E87 PolarHBondContact O-N 3.3Å; E84-E87 PolarHBondContact O-N 2.94Å; E87-L89 VanDerWaalsContact C-N 3.33Å; E87-L89 PolarHBondContact O-N 3.4Å; E87-K90 WeakPolarHBondContact O-CB 3.44Å; E87-K90 PolarHBondContact O-N 3.18Å; E87-K90 VanDerWaalsContact O-N 3.15Å; E87-K90 IonicContact OE1-NZ 2.73Å; E87-K90 PolarHBondContact OE1-NZ 3.39Å; E87-K90 VanDerWaalsContact OE2-CE 3.24Å; E87-K90 WeakPolarHBondContact OE2-CE 3.3Å; E87-K90 IonicContact OE2-NZ 3.08Å; E87-K90 PolarHBondContact OE2-NZ 3.05Å; E87-L91 WeakPolarHBondContact O-CG 3.47Å; E87-L91 PolarHBondContact O-N 3.43Å |
| 88 | E | 94.8 | Very high | 90.1 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.023 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 175.4 | -175.5 | 65.8 | -165.6 | 0 | 0 | 111.5 | E84 K90 L91 S92 L174 L179 D180 Y181 S182 | E84-E88 WeakPolarHBondContact O-CB 3.49Å; E84-E88 PolarHBondContact O-N 2.96Å; E88-K90 VanDerWaalsContact C-N 3.32Å; E88-K90 PolarHBondContact O-N 3.46Å; E88-L91 PolarHBondContact O-N 2.97Å; E88-S92 WeakPolarHBondContact O-CB 3.19Å; E88-S92 PolarHBondContact O-N 3.3Å; E88-L174 HydrophobicContact CB-CD1 3.83Å; E88-L174 HydrophobicContact CG-CD1 3.33Å; E88-L179 HydrophobicContact CB-CD2 4.12Å; E88-L179 HydrophobicContact CG-CB 4.31Å; E88-L179 HydrophobicContact CG-CD2 3.88Å; E88-D180 WeakPolarHBondContact OE1-CA 3.4Å; E88-D180 PolarHBondContact OE1-N 3.1Å; E88-Y181 WeakPolarHBondContact OE1-CD2 3.29Å; E88-Y181 PolarHBondContact OE1-N 3.43Å; E88-Y181 PolarHBondContact OE2-N 2.98Å; E88-S182 VanDerWaalsContact OE2-CB 3.29Å; E88-S182 WeakPolarHBondContact OE2-CB 3.43Å; E88-S182 PolarHBondContact OE2-N 2.82Å; E88-S182 PolarHBondContact OE2-OG 3.45Å |
| 89 | L | 93.4 | Very high | 90.5 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 176.1 | -177.6 | 57.2 | 0 | 0 | 0 | 111.8 | L85 A86 E87 S92 C93 C161 R164 V165 A168 L174 | L85-L89 VanDerWaalsContact O-CB 3.3Å; L85-L89 WeakPolarHBondContact O-CB 3.35Å; L85-L89 PolarHBondContact O-N 2.84Å; A86-L89 PolarHBondContact O-N 2.66Å; E87-L89 VanDerWaalsContact C-N 3.33Å; E87-L89 PolarHBondContact O-N 3.4Å; L89-S92 PolarHBondContact O-N 2.89Å; L89-C93 WeakPolarHBondContact O-CB 3.36Å; L89-C93 PolarHBondContact O-N 3Å; L89-C93 PolarHBondContact O-SG 2.83Å; L89-C161 WeakPolarHBondContact CD2-O 3.45Å; L89-R164 HydrophobicContact CD2-CB 3.6Å; L89-V165 HydrophobicContact CD2-CG2 4.32Å; L89-A168 HydrophobicContact CD1-CB 3.62Å; L89-A168 HydrophobicContact CD2-CB 3.99Å; L89-A168 HydrophobicContact CG-CB 4.44Å; L89-L174 HydrophobicContact CB-CD2 4.39Å |
| 90 | K | 93.6 | Very high | 91.1 | Very high | 53 Ų | 53 | 42.4 Ų | 42.4 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 176.1 | -177 | -176.2 | 73.3 | -167.7 | 0 | 111.4 | A86 E87 E88 C93 T94 H154 | A86-K90 WeakPolarHBondContact O-CB 3.28Å; A86-K90 PolarHBondContact O-N 3.27Å; E87-K90 WeakPolarHBondContact O-CB 3.44Å; E87-K90 PolarHBondContact O-N 3.18Å; E87-K90 VanDerWaalsContact O-N 3.15Å; E87-K90 IonicContact OE1-NZ 2.73Å; E87-K90 PolarHBondContact OE1-NZ 3.39Å; E87-K90 VanDerWaalsContact OE2-CE 3.24Å; E87-K90 WeakPolarHBondContact OE2-CE 3.3Å; E87-K90 IonicContact OE2-NZ 3.08Å; E87-K90 PolarHBondContact OE2-NZ 3.05Å; E88-K90 VanDerWaalsContact C-N 3.32Å; E88-K90 PolarHBondContact O-N 3.46Å; K90-C93 PolarHBondContact O-N 2.83Å; K90-T94 WeakPolarHBondContact O-CB 3.29Å; K90-T94 PolarHBondContact O-N 3.36Å; K90-T94 PolarHBondContact O-OG1 3.27Å; K90-H154 VanDerWaalsContact CD-CE1 3.49Å; K90-H154 WeakPolarHBondContact CD-CE1 3.49Å; K90-H154 WeakPolarHBondContact CD-NE2 3.4Å |
| 91 | L | 92.5 | Very high | 91.9 | Very high | 63 Ų | 63 | 35.8 Ų | 35.8 | 33% | 0.33 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.9 | -45.1 | 176.7 | -66 | 171.7 | 0 | 0 | 0 | 111 | E87 E88 C93 T94 N95 Y181 | E87-L91 WeakPolarHBondContact O-CG 3.47Å; E87-L91 PolarHBondContact O-N 3.43Å; E88-L91 PolarHBondContact O-N 2.97Å; L91-C93 PolarHBondContact O-N 3.4Å; L91-T94 WeakPolarHBondContact O-CB 3.43Å; L91-T94 PolarHBondContact O-N 2.87Å; L91-N95 PolarHBondContact O-N 3.39Å; L91-Y181 HydrophobicContact CB-CD2 3.85Å; L91-Y181 HydrophobicContact CB-CG 3.9Å |
| 92 | S | 91.4 | Very high | 92 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | E88 L89 T94 N95 I96 | E88-S92 WeakPolarHBondContact O-CB 3.19Å; E88-S92 PolarHBondContact O-N 3.3Å; L89-S92 PolarHBondContact O-N 2.89Å; S92-T94 VanDerWaalsContact C-N 3.3Å; S92-T94 PolarHBondContact O-N 3.2Å; S92-N95 PolarHBondContact O-N 3.42Å; S92-N95 VanDerWaalsContact O-N 3.15Å; S92-I96 WeakPolarHBondContact O-CG1 3.26Å; S92-I96 PolarHBondContact O-N 3.42Å |
| 93 | C | 92 | Very high | 92 | Very high | 22 Ų | 22 | 36.7 Ų | 36.7 | 15% | 0.149 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.6 | -41.5 | 176.1 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | M62 L89 K90 L91 N95 I96 M97 | M62-C93 HydrophobicContact CE-CB 4.2Å; L89-C93 WeakPolarHBondContact O-CB 3.36Å; L89-C93 PolarHBondContact O-N 3Å; L89-C93 PolarHBondContact O-SG 2.83Å; K90-C93 PolarHBondContact O-N 2.83Å; L91-C93 PolarHBondContact O-N 3.4Å; C93-N95 VanDerWaalsContact C-N 3.33Å; C93-N95 PolarHBondContact O-N 3.05Å; C93-I96 PolarHBondContact O-N 2.93Å; C93-M97 WeakPolarHBondContact O-CG 3.3Å; C93-M97 PolarHBondContact O-N 3.4Å |
| 94 | T | 91.5 | Very high | 91.9 | Very high | 63 Ų | 63 | 36.7 Ų | 36.7 | 39% | 0.387 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 176.7 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | K90 L91 S92 M97 L98 | K90-T94 WeakPolarHBondContact O-CB 3.29Å; K90-T94 PolarHBondContact O-N 3.36Å; K90-T94 PolarHBondContact O-OG1 3.27Å; L91-T94 WeakPolarHBondContact O-CB 3.43Å; L91-T94 PolarHBondContact O-N 2.87Å; S92-T94 VanDerWaalsContact C-N 3.3Å; S92-T94 PolarHBondContact O-N 3.2Å; T94-M97 PolarHBondContact O-N 3.34Å; T94-L98 WeakPolarHBondContact O-CG 3.45Å; T94-L98 PolarHBondContact O-N 3Å |
| 95 | N | 90.9 | Very high | 92 | Very high | 23 Ų | 23 | 33.7 Ų | 33.7 | 12% | 0.123 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 177.5 | -173.6 | 30.4 | 0 | 0 | 0 | 112 | G3 L91 S92 C93 L98 Q99 Y181 | G3-N95 VanDerWaalsContact C-ND2 3.31Å; G3-N95 PolarHBondContact O-ND2 2.79Å; L91-N95 PolarHBondContact O-N 3.39Å; S92-N95 PolarHBondContact O-N 3.42Å; S92-N95 VanDerWaalsContact O-N 3.15Å; C93-N95 VanDerWaalsContact C-N 3.33Å; C93-N95 PolarHBondContact O-N 3.05Å; N95-L98 WeakPolarHBondContact O-CB 3.43Å; N95-L98 PolarHBondContact O-N 2.8Å; N95-Q99 WeakPolarHBondContact O-CG 3.33Å; N95-Q99 PolarHBondContact O-N 3.32Å; N95-Q99 VanDerWaalsContact O-N 3.08Å; N95-Q99 PolarHBondContact O-NE2 3.4Å; N95-Q99 PolarHBondContact OD1-NE2 2.6Å; N95-Y181 HydrophobicContact CB-CE1 4.48Å; N95-Y181 PolarHBondContact ND2-OH 2.88Å |
| 96 | I | 90.7 | Very high | 92 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 19% | 0.185 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.4 | -46 | 173.9 | -68 | 167.4 | 0 | 0 | 0 | 111.2 | L57 M62 S92 C93 L98 Q99 C100 | L57-I96 HydrophobicContact CD1-CG2 4.3Å; M62-I96 HydrophobicContact CE-CB 4.1Å; M62-I96 HydrophobicContact CE-CG2 3.77Å; M62-I96 HydrophobicContact CG-CG2 4.5Å; M62-I96 HydrophobicContact SD-CG2 3.89Å; S92-I96 WeakPolarHBondContact O-CG1 3.26Å; S92-I96 PolarHBondContact O-N 3.42Å; C93-I96 PolarHBondContact O-N 2.93Å; I96-L98 VanDerWaalsContact C-N 3.27Å; I96-L98 PolarHBondContact O-N 2.93Å; I96-Q99 VanDerWaalsContact O-CA 3.31Å; I96-Q99 WeakPolarHBondContact O-CA 3.41Å; I96-Q99 VanDerWaalsContact O-CB 3.26Å; I96-Q99 WeakPolarHBondContact O-CB 3.27Å; I96-Q99 PolarHBondContact O-N 3.06Å; I96-C100 PolarHBondContact O-N 2.84Å; I96-C100 VanDerWaalsContact O-N 3.14Å; I96-C100 PolarHBondContact O-SG 3.03Å; I96-C100 VanDerWaalsContact O-SG 3.37Å |
| 97 | M | 92.2 | Very high | 92 | Very high | 12 Ų | 12 | 34.1 Ų | 34.1 | 6% | 0.059 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 177.1 | -77.1 | -175.6 | -71.5 | 0 | 0 | 112.1 | F59 M62 C93 T94 Q99 C100 M144 F147 L148 | F59-M97 HydrophobicContact CE1-CB 4.45Å; F59-M97 HydrophobicContact CE1-CG 4.49Å; M62-M97 HydrophobicContact CE-CG 3.61Å; M62-M97 HydrophobicContact SD-CB 4.32Å; M62-M97 HydrophobicContact SD-CG 3.29Å; M62-M97 WeakPolarHBondContact SD-CG 3.29Å; M62-M97 HydrophobicContact SD-SD 4.48Å; C93-M97 WeakPolarHBondContact O-CG 3.3Å; C93-M97 PolarHBondContact O-N 3.4Å; T94-M97 PolarHBondContact O-N 3.34Å; M97-Q99 VanDerWaalsContact C-N 3.25Å; M97-Q99 PolarHBondContact O-N 3.11Å; M97-C100 WeakPolarHBondContact O-CB 3.37Å; M97-C100 PolarHBondContact O-N 3.24Å; M97-C100 VanDerWaalsContact O-N 3.14Å; M97-M144 HydrophobicContact CB-CE 4.05Å; M97-M144 HydrophobicContact CB-SD 3.8Å; M97-M144 HydrophobicContact CG-SD 4.45Å; M97-M144 HydrophobicContact SD-SD 4.24Å; M97-F147 HydrophobicContact CG-CD1 4.2Å; M97-F147 HydrophobicContact CG-CE1 4.03Å; M97-F147 HydrophobicContact SD-CD1 3.66Å; M97-F147 HydrophobicContact SD-CE1 3.78Å; M97-L148 HydrophobicContact CE-CD2 3.57Å; M97-L148 HydrophobicContact SD-CD2 3.49Å; M97-L148 WeakPolarHBondContact SD-CD2 3.35Å; M97-L148 HydrophobicContact SD-CG 4.29Å |
| 98 | L | 92.9 | Very high | 92.1 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 6% | 0.058 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62 | -37.3 | 172.1 | -69.2 | 170.6 | 0 | 0 | 0 | 110.8 | T94 N95 I96 C100 L101 R106 F109 I110 M114 M144 | T94-L98 WeakPolarHBondContact O-CG 3.45Å; T94-L98 PolarHBondContact O-N 3Å; N95-L98 WeakPolarHBondContact O-CB 3.43Å; N95-L98 PolarHBondContact O-N 2.8Å; I96-L98 VanDerWaalsContact C-N 3.27Å; I96-L98 PolarHBondContact O-N 2.93Å; L98-C100 PolarHBondContact O-N 2.61Å; L98-L101 HydrophobicContact CD2-CD1 4.48Å; L98-L101 WeakPolarHBondContact O-CB 3.01Å; L98-L101 PolarHBondContact O-N 2.9Å; L98-L101 VanDerWaalsContact O-N 3.14Å; L98-R106 HydrophobicContact CB-CG 4.28Å; L98-R106 WeakPolarHBondContact O-CD 3.39Å; L98-R106 WeakPolarHBondContact O-CG 3.47Å; L98-R106 PolarHBondContact O-NE 3.1Å; L98-F109 HydrophobicContact CD2-CD1 3.54Å; L98-F109 HydrophobicContact CD2-CE1 3.77Å; L98-I110 HydrophobicContact CD1-CD1 4.23Å; L98-I110 HydrophobicContact CD1-CG1 4.42Å; L98-I110 HydrophobicContact CD2-CD1 4.42Å; L98-I110 HydrophobicContact CD2-CG1 4.12Å; L98-M114 HydrophobicContact CD1-SD 4.47Å; L98-M144 HydrophobicContact CD2-CE 4.14Å |
| 99 | Q | 91.4 | Very high | 92.2 | Very high | 29 Ų | 29 | 31.2 Ų | 31.2 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63 | -27 | 175.1 | -56.8 | -44 | -61.6 | 0 | 0 | 113.2 | M1 G3 L57 N95 I96 M97 L101 R106 | M1-Q99 PolarHBondContact O-NE2 3.4Å; G3-Q99 VanDerWaalsContact CA-CD 3.48Å; G3-Q99 VanDerWaalsContact CA-NE2 3.33Å; L57-Q99 HydrophobicContact CB-CB 4.15Å; L57-Q99 HydrophobicContact CD1-CB 3.57Å; L57-Q99 HydrophobicContact CD1-CG 4.03Å; L57-Q99 HydrophobicContact CG-CB 4.46Å; N95-Q99 WeakPolarHBondContact O-CG 3.33Å; N95-Q99 PolarHBondContact O-N 3.32Å; N95-Q99 VanDerWaalsContact O-N 3.08Å; N95-Q99 PolarHBondContact O-NE2 3.4Å; N95-Q99 PolarHBondContact OD1-NE2 2.6Å; I96-Q99 VanDerWaalsContact O-CA 3.31Å; I96-Q99 WeakPolarHBondContact O-CA 3.41Å; I96-Q99 VanDerWaalsContact O-CB 3.26Å; I96-Q99 WeakPolarHBondContact O-CB 3.27Å; I96-Q99 PolarHBondContact O-N 3.06Å; M97-Q99 VanDerWaalsContact C-N 3.25Å; M97-Q99 PolarHBondContact O-N 3.11Å; Q99-L101 PolarHBondContact O-N 3.23Å; Q99-R106 VanDerWaalsContact CA-NH2 3.32Å; Q99-R106 PolarHBondContact O-NH2 3.39Å; Q99-R106 VanDerWaalsContact OE1-CZ 3.25Å |
| 100 | C | 92.2 | Very high | 92.2 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -13.3 | 175.5 | -57.2 | 0 | 0 | 0 | 0 | 114.5 | L57 T58 F59 I96 M97 L98 | L57-C100 WeakPolarHBondContact O-CA 3.42Å; T58-C100 PolarHBondContact O-SG 3.18Å; F59-C100 HydrophobicContact CD1-CB 3.94Å; F59-C100 HydrophobicContact CD2-CB 3.7Å; F59-C100 HydrophobicContact CE1-CB 3.93Å; F59-C100 HydrophobicContact CE2-CB 3.68Å; F59-C100 HydrophobicContact CG-CB 3.85Å; F59-C100 HydrophobicContact CZ-CB 3.81Å; I96-C100 PolarHBondContact O-N 2.84Å; I96-C100 VanDerWaalsContact O-N 3.14Å; I96-C100 PolarHBondContact O-SG 3.03Å; I96-C100 VanDerWaalsContact O-SG 3.37Å; M97-C100 WeakPolarHBondContact O-CB 3.37Å; M97-C100 PolarHBondContact O-N 3.24Å; M97-C100 VanDerWaalsContact O-N 3.14Å; L98-C100 PolarHBondContact O-N 2.61Å |
| 101 | L | 92.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -84.1 | 145.2 | 172.2 | -65.7 | 174.6 | 0 | 0 | 0 | 110.9 | F59 L98 Q99 R106 F109 M144 | F59-L101 HydrophobicContact CE2-CD2 3.98Å; F59-L101 HydrophobicContact CE2-CG 4.49Å; F59-L101 HydrophobicContact CZ-CD2 4.23Å; F59-L101 HydrophobicContact CZ-CG 4.46Å; L98-L101 HydrophobicContact CD2-CD1 4.48Å; L98-L101 WeakPolarHBondContact O-CB 3.01Å; L98-L101 PolarHBondContact O-N 2.9Å; L98-L101 VanDerWaalsContact O-N 3.14Å; Q99-L101 PolarHBondContact O-N 3.23Å; L101-R106 HydrophobicContact CB-CB 3.87Å; L101-R106 HydrophobicContact CB-CG 4.48Å; L101-R106 PolarHBondContact O-NE 3.35Å; L101-R106 PolarHBondContact O-NH2 3.46Å; L101-F109 HydrophobicContact CD1-CB 3.95Å; L101-F109 HydrophobicContact CD1-CD2 4.49Å; L101-F109 HydrophobicContact CD1-CG 4.1Å; L101-M144 HydrophobicContact CD1-CE 3.78Å; L101-M144 HydrophobicContact CG-CE 4.14Å |
| 102 | K | 89 | Confident | 92.1 | Very high | 134 Ų | 134 | 26.7 Ų | 26.7 | 58% | 0.583 | 14% | 0.137 | S | C | * | . | trans | -57.2 | 148.2 | 169.5 | -67.9 | -174.7 | 177.3 | -174.4 | 0 | 109.8 | E104 D105 R106 | K102-E104 VanDerWaalsContact C-N 3.33Å; K102-E104 PolarHBondContact O-N 3.49Å; K102-E104 VanDerWaalsContact O-N 3.17Å; K102-D105 HydrophobicContact CB-CB 4.45Å; K102-D105 PolarHBondContact O-N 2.73Å; K102-R106 WeakPolarHBondContact O-CB 3.32Å; K102-R106 PolarHBondContact O-N 3.37Å | ||
| 103 | P | 88.5 | Confident | 92.2 | Very high | 17 Ų | 17 | 28.5 Ų | 28.5 | 11% | 0.11 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -47.7 | -48.7 | -175.3 | -32.4 | 37 | 0 | 0 | 0 | 114.7 | Q48 R106 C107 | Q48-P103 HydrophobicContact CB-CB 3.91Å; Q48-P103 HydrophobicContact CB-CG 4.07Å; P103-R106 PolarHBondContact O-N 2.91Å; P103-C107 PolarHBondContact O-N 3.03Å |
| 104 | E | 89.8 | Confident | 92 | Very high | 72 Ų | 72 | 32.3 Ų | 32.3 | 34% | 0.336 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.1 | -45.8 | 178.3 | -72.7 | 179.4 | -160.6 | 0 | 0 | 112.9 | R49 K102 R106 C107 I108 K136 | R49-E104 IonicContact NH2-OE1 3.86Å; R49-E104 PolarHBondContact NH2-OE1 3.08Å; K102-E104 VanDerWaalsContact C-N 3.33Å; K102-E104 PolarHBondContact O-N 3.49Å; K102-E104 VanDerWaalsContact O-N 3.17Å; E104-R106 VanDerWaalsContact C-N 3.27Å; E104-R106 PolarHBondContact O-N 2.52Å; E104-C107 WeakPolarHBondContact O-CB 3.39Å; E104-C107 PolarHBondContact O-N 3.1Å; E104-I108 WeakPolarHBondContact O-CB 3.02Å; E104-I108 VanDerWaalsContact O-CG1 3.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.2Å; E104-I108 PolarHBondContact O-N 3.26Å; E104-K136 IonicContact OE2-NZ 2.6Å; E104-K136 PolarHBondContact OE2-NZ 3Å |
| 105 | D | 92.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 33.7 Ų | 33.7 | 21% | 0.214 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.1 | -35.1 | 179.6 | -67.7 | -27.2 | 0 | 0 | 0 | 111.2 | K102 F109 | K102-D105 HydrophobicContact CB-CB 4.45Å; K102-D105 PolarHBondContact O-N 2.73Å; D105-F109 VanDerWaalsContact O-CB 3.26Å; D105-F109 WeakPolarHBondContact O-CB 3.37Å; D105-F109 PolarHBondContact O-N 3.3Å |
| 106 | R | 93.5 | Very high | 91.5 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -47.3 | 173.8 | -170.3 | -170.6 | -54.4 | 166.2 | 3.3 | 111.1 | M1 L98 Q99 L101 K102 P103 E104 F109 I110 | M1-R106 WeakPolarHBondContact O-CD 3.49Å; M1-R106 PolarHBondContact O-NH1 3.26Å; M1-R106 HydrophobicContact SD-CG 4.07Å; L98-R106 HydrophobicContact CB-CG 4.28Å; L98-R106 WeakPolarHBondContact O-CD 3.39Å; L98-R106 WeakPolarHBondContact O-CG 3.47Å; L98-R106 PolarHBondContact O-NE 3.1Å; Q99-R106 VanDerWaalsContact CA-NH2 3.32Å; Q99-R106 PolarHBondContact O-NH2 3.39Å; Q99-R106 VanDerWaalsContact OE1-CZ 3.25Å; L101-R106 HydrophobicContact CB-CB 3.87Å; L101-R106 HydrophobicContact CB-CG 4.48Å; L101-R106 PolarHBondContact O-NE 3.35Å; L101-R106 PolarHBondContact O-NH2 3.46Å; K102-R106 WeakPolarHBondContact O-CB 3.32Å; K102-R106 PolarHBondContact O-N 3.37Å; P103-R106 PolarHBondContact O-N 2.91Å; E104-R106 VanDerWaalsContact C-N 3.27Å; E104-R106 PolarHBondContact O-N 2.52Å; R106-F109 PolarHBondContact O-N 2.9Å; R106-I110 HydrophobicContact CG-CD1 4Å; R106-I110 WeakPolarHBondContact O-CB 3.42Å; R106-I110 WeakPolarHBondContact O-CG1 3.47Å; R106-I110 PolarHBondContact O-N 3.17Å |
| 107 | C | 93.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.3 | -49.4 | 176.4 | -169.9 | 0 | 0 | 0 | 0 | 110.7 | M1 I45 P103 E104 F109 I110 L111 L126 | M1-C107 HydrophobicContact CE-CB 3.65Å; M1-C107 HydrophobicContact SD-CB 4.28Å; I45-C107 HydrophobicContact CD1-CB 4.34Å; I45-C107 HydrophobicContact CG1-CB 4.41Å; P103-C107 PolarHBondContact O-N 3.03Å; E104-C107 WeakPolarHBondContact O-CB 3.39Å; E104-C107 PolarHBondContact O-N 3.1Å; C107-F109 VanDerWaalsContact C-N 3.33Å; C107-F109 PolarHBondContact O-N 2.98Å; C107-I110 PolarHBondContact O-N 3.3Å; C107-L111 WeakPolarHBondContact O-CB 3.41Å; C107-L111 VanDerWaalsContact O-CG 3.3Å; C107-L111 WeakPolarHBondContact O-CG 2.94Å; C107-L111 PolarHBondContact O-N 3.22Å; C107-L126 HydrophobicContact CB-CD2 4.48Å |
| 108 | I | 95.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.6 | -46.3 | 176.9 | -72 | 168.1 | 0 | 0 | 0 | 111.2 | E104 I110 G112 L126 I128 Y133 K136 L137 | E104-I108 WeakPolarHBondContact O-CB 3.02Å; E104-I108 VanDerWaalsContact O-CG1 3.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.2Å; E104-I108 PolarHBondContact O-N 3.26Å; I108-I110 PolarHBondContact O-N 2.99Å; I108-G112 PolarHBondContact O-N 3.06Å; I108-L126 HydrophobicContact CD1-CD1 4.15Å; I108-L126 HydrophobicContact CG1-CD1 3.37Å; I108-I128 HydrophobicContact CD1-CD1 4.23Å; I108-Y133 HydrophobicContact CB-CE2 4.36Å; I108-Y133 HydrophobicContact CG1-CD2 4.17Å; I108-Y133 HydrophobicContact CG1-CE2 4.27Å; I108-Y133 HydrophobicContact CG2-CD2 4.07Å; I108-Y133 HydrophobicContact CG2-CE2 3.82Å; I108-K136 HydrophobicContact CD1-CB 3.64Å; I108-K136 HydrophobicContact CD1-CD 3.4Å; I108-K136 HydrophobicContact CD1-CG 4.16Å; I108-K136 HydrophobicContact CG2-CB 4.32Å; I108-L137 HydrophobicContact CG2-CB 3.69Å; I108-L137 HydrophobicContact CG2-CD1 4.09Å; I108-L137 HydrophobicContact CG2-CG 4.49Å |
| 109 | F | 96.1 | Very high | 91.2 | Very high | 26 Ų | 26 | 43.8 Ų | 43.8 | 11% | 0.114 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -46.4 | 179.1 | -178.1 | -86.8 | 0 | 0 | 0 | 111.7 | L98 L101 D105 R106 C107 T113 A140 R141 M144 | L98-F109 HydrophobicContact CD2-CD1 3.54Å; L98-F109 HydrophobicContact CD2-CE1 3.77Å; L101-F109 HydrophobicContact CD1-CB 3.95Å; L101-F109 HydrophobicContact CD1-CD2 4.49Å; L101-F109 HydrophobicContact CD1-CG 4.1Å; D105-F109 VanDerWaalsContact O-CB 3.26Å; D105-F109 WeakPolarHBondContact O-CB 3.37Å; D105-F109 PolarHBondContact O-N 3.3Å; R106-F109 PolarHBondContact O-N 2.9Å; C107-F109 VanDerWaalsContact C-N 3.33Å; C107-F109 PolarHBondContact O-N 2.98Å; F109-T113 HydrophobicContact CE1-CG2 4.46Å; F109-T113 HydrophobicContact CZ-CG2 4.13Å; F109-T113 WeakPolarHBondContact O-CA 3.19Å; F109-T113 WeakPolarHBondContact O-CB 3.4Å; F109-T113 PolarHBondContact O-N 2.75Å; F109-T113 PolarHBondContact O-OG1 3.04Å; F109-A140 HydrophobicContact CB-CB 4.24Å; F109-A140 HydrophobicContact CD2-CB 4.27Å; F109-R141 HydrophobicContact CD2-CG 4.15Å; F109-R141 HydrophobicContact CE2-CG 4.03Å; F109-M144 HydrophobicContact CE2-CB 3.83Å; F109-M144 HydrophobicContact CE2-CG 4.01Å; F109-M144 HydrophobicContact CZ-CB 4.29Å; F109-M144 HydrophobicContact CZ-CG 3.94Å |
| 110 | I | 93.5 | Very high | 91.1 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 7% | 0.067 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -66.3 | -49.6 | -179.1 | -70.8 | 171.5 | 0 | 0 | 0 | 110.7 | M1 L98 R106 C107 I108 G112 M114 F115 | M1-I110 HydrophobicContact CG-CD1 3.73Å; M1-I110 HydrophobicContact SD-CD1 3.57Å; M1-I110 VanDerWaalsContact SD-CD1 3.57Å; L98-I110 HydrophobicContact CD1-CD1 4.23Å; L98-I110 HydrophobicContact CD1-CG1 4.42Å; L98-I110 HydrophobicContact CD2-CD1 4.42Å; L98-I110 HydrophobicContact CD2-CG1 4.12Å; R106-I110 HydrophobicContact CG-CD1 4Å; R106-I110 WeakPolarHBondContact O-CB 3.42Å; R106-I110 WeakPolarHBondContact O-CG1 3.47Å; R106-I110 PolarHBondContact O-N 3.17Å; C107-I110 PolarHBondContact O-N 3.3Å; I108-I110 PolarHBondContact O-N 2.99Å; I110-G112 PolarHBondContact O-N 2.83Å; I110-M114 HydrophobicContact CB-SD 4.29Å; I110-M114 HydrophobicContact CG1-SD 3.83Å; I110-M114 HydrophobicContact CG2-CB 4.49Å; I110-M114 HydrophobicContact CG2-SD 4.12Å; I110-M114 WeakPolarHBondContact O-CA 3.5Å; I110-M114 WeakPolarHBondContact O-CB 3.28Å; I110-M114 PolarHBondContact O-N 2.82Å; I110-F115 HydrophobicContact CG2-CD2 3.73Å; I110-F115 HydrophobicContact CG2-CE2 3.59Å; I110-F115 PolarHBondContact O-N 2.63Å |
| 111 | L | 92 | Very high | 90.9 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -59.9 | -46 | 178.6 | -67 | 176.7 | 0 | 0 | 0 | 111.5 | V41 C107 F115 K116 M117 L125 L126 | V41-L111 HydrophobicContact CG2-CD1 4.26Å; C107-L111 WeakPolarHBondContact O-CB 3.41Å; C107-L111 VanDerWaalsContact O-CG 3.3Å; C107-L111 WeakPolarHBondContact O-CG 2.94Å; C107-L111 PolarHBondContact O-N 3.22Å; L111-F115 HydrophobicContact CD2-CD2 4.45Å; L111-F115 CarbonylContact O-C 3.59Å; L111-F115 WeakPolarHBondContact O-CB 3.49Å; L111-K116 PolarHBondContact O-N 2.84Å; L111-M117 HydrophobicContact CB-CB 4.38Å; L111-M117 HydrophobicContact CB-SD 4.19Å; L111-M117 HydrophobicContact CD1-SD 4.32Å; L111-M117 HydrophobicContact CD2-CE 3.75Å; L111-M117 HydrophobicContact CD2-SD 3.92Å; L111-M117 HydrophobicContact CG-SD 4.37Å; L111-M117 WeakPolarHBondContact O-CB 3.36Å; L111-M117 PolarHBondContact O-N 3.01Å; L111-L125 HydrophobicContact CD1-CD1 4.33Å; L111-L126 HydrophobicContact CD1-CD1 4.36Å |
| 112 | G | 93.3 | Very high | 90.9 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -78.8 | -34.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I108 I110 Y133 R141 | I108-G112 PolarHBondContact O-N 3.06Å; I110-G112 PolarHBondContact O-N 2.83Å; G112-Y133 WeakPolarHBondContact CA-OH 3.17Å; G112-Y133 PolarHBondContact N-OH 3.11Å; G112-R141 VanDerWaalsContact C-NH2 3.33Å; G112-R141 PolarHBondContact O-NH2 3.14Å |
| 113 | T | 92.7 | Very high | 90.9 | Very high | 51 Ų | 51 | 43.6 Ų | 43.6 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | I | π-helix | trans | -100.5 | -40.7 | -171.7 | -46.6 | 0 | 0 | 0 | 0 | 112.4 | F109 R141 | F109-T113 HydrophobicContact CE1-CG2 4.46Å; F109-T113 HydrophobicContact CZ-CG2 4.13Å; F109-T113 WeakPolarHBondContact O-CA 3.19Å; F109-T113 WeakPolarHBondContact O-CB 3.4Å; F109-T113 PolarHBondContact O-N 2.75Å; F109-T113 PolarHBondContact O-OG1 3.04Å; T113-R141 PolarHBondContact OG1-NE 3.31Å; T113-R141 PolarHBondContact OG1-NH2 3.14Å |
| 114 | M | 87.5 | Confident | 90.9 | Very high | 102 Ų | 102 | 44.1 Ų | 44.1 | 50% | 0.502 | 22% | 0.224 | S | C | . | . | I | π-helix | trans | -90.1 | -47.6 | -177.9 | -57.3 | 177.8 | 68.6 | 0 | 0 | 111.2 | L98 I110 | L98-M114 HydrophobicContact CD1-SD 4.47Å; I110-M114 HydrophobicContact CB-SD 4.29Å; I110-M114 HydrophobicContact CG1-SD 3.83Å; I110-M114 HydrophobicContact CG2-CB 4.49Å; I110-M114 HydrophobicContact CG2-SD 4.12Å; I110-M114 WeakPolarHBondContact O-CA 3.5Å; I110-M114 WeakPolarHBondContact O-CB 3.28Å; I110-M114 PolarHBondContact O-N 2.82Å |
| 115 | F | 85.1 | Confident | 90.9 | Very high | 93 Ų | 93 | 40.7 Ų | 40.7 | 41% | 0.408 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -87.2 | -2.8 | 178.5 | -68.7 | -77.8 | 0 | 0 | 0 | 114.1 | I110 L111 M117 | I110-F115 HydrophobicContact CG2-CD2 3.73Å; I110-F115 HydrophobicContact CG2-CE2 3.59Å; I110-F115 PolarHBondContact O-N 2.63Å; L111-F115 HydrophobicContact CD2-CD2 4.45Å; L111-F115 CarbonylContact O-C 3.59Å; L111-F115 WeakPolarHBondContact O-CB 3.49Å; F115-M117 PolarHBondContact O-N 2.91Å |
| 116 | K | 86.9 | Confident | 90.8 | Very high | 159 Ų | 159 | 40.1 Ų | 40.1 | 69% | 0.691 | 21% | 0.205 | S | C | * | . | trans | 48.6 | 35 | -179 | -60.7 | -177.4 | 179.8 | 176.8 | 0 | 113.4 | L111 | L111-K116 PolarHBondContact O-N 2.84Š| ||
| 117 | M | 87.1 | Confident | 90.6 | Very high | 25 Ų | 25 | 46.2 Ų | 46.2 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | trans | -72.7 | 134.6 | -174.4 | -167.8 | 176.7 | -79.9 | 0 | 0 | 111.4 | Y37 L111 F115 L121 A122 L125 Y133 | Y37-M117 HydrophobicContact CD1-CE 4.5Å; Y37-M117 HydrophobicContact CE1-CE 4.42Å; L111-M117 HydrophobicContact CB-CB 4.38Å; L111-M117 HydrophobicContact CB-SD 4.19Å; L111-M117 HydrophobicContact CD1-SD 4.32Å; L111-M117 HydrophobicContact CD2-CE 3.75Å; L111-M117 HydrophobicContact CD2-SD 3.92Å; L111-M117 HydrophobicContact CG-SD 4.37Å; L111-M117 WeakPolarHBondContact O-CB 3.36Å; L111-M117 PolarHBondContact O-N 3.01Å; F115-M117 PolarHBondContact O-N 2.91Å; M117-L121 HydrophobicContact CE-CD2 3.8Å; M117-L121 HydrophobicContact CG-CB 4.22Å; M117-L121 HydrophobicContact CG-CD2 3.8Å; M117-L121 HydrophobicContact CG-CG 4.49Å; M117-L121 HydrophobicContact SD-CD2 3.33Å; M117-L121 WeakPolarHBondContact SD-CD2 3.49Å; M117-A122 HydrophobicContact CG-CB 4.28Å; M117-A122 HydrophobicContact SD-CB 4.13Å; M117-L125 HydrophobicContact CE-CD1 3.99Å; M117-L125 HydrophobicContact SD-CD1 3.53Å; M117-L125 VanDerWaalsContact SD-CD1 3.53Å; M117-Y133 PolarHBondContact O-OH 3.01Å | ||
| 118 | N | 90.4 | Very high | 90.6 | Very high | 88 Ų | 88 | 48 Ų | 48 | 47% | 0.471 | 24% | 0.243 | S | C | . | . | trans | -69.7 | 161.2 | 179.8 | 73.6 | 47.5 | 0 | 0 | 0 | 112.4 | Q120 L121 A122 | N118-Q120 VanDerWaalsContact C-N 3.35Å; N118-Q120 PolarHBondContact O-N 3.25Å; N118-Q120 PolarHBondContact OD1-N 3.01Å; N118-Q120 VanDerWaalsContact OD1-N 3.16Å; N118-L121 WeakPolarHBondContact OD1-CB 3.35Å; N118-L121 PolarHBondContact OD1-N 3.41Å; N118-A122 WeakPolarHBondContact O-CB 3.38Å; N118-A122 PolarHBondContact O-N 3.46Å | ||
| 119 | S | 92.1 | Very high | 90.7 | Very high | 22 Ų | 22 | 51.3 Ų | 51.3 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.4 | -32.4 | -175.3 | 45.6 | 0 | 0 | 0 | 0 | 114.3 | S123 | S119-S123 WeakPolarHBondContact O-CB 3.3Å; S119-S123 PolarHBondContact O-N 3.33Å; S119-S123 PolarHBondContact O-OG 3.44Å |
| 120 | Q | 89.6 | Confident | 90.7 | Very high | 129 Ų | 129 | 51.7 Ų | 51.7 | 60% | 0.603 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -70.4 | -41.6 | -177.8 | -71.4 | 73.7 | 5.7 | 0 | 0 | 110.8 | N118 S123 G124 | N118-Q120 VanDerWaalsContact C-N 3.35Å; N118-Q120 PolarHBondContact O-N 3.25Å; N118-Q120 PolarHBondContact OD1-N 3.01Å; N118-Q120 VanDerWaalsContact OD1-N 3.16Å; Q120-S123 WeakPolarHBondContact CA-OG 3.46Å; Q120-S123 PolarHBondContact O-OG 3.4Å; Q120-G124 PolarHBondContact O-N 2.88Å |
| 121 | L | 87.8 | Confident | 90.9 | Very high | 29 Ų | 29 | 55.3 Ų | 55.3 | 15% | 0.152 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72 | -50 | 176.9 | -161.9 | 155 | 0 | 0 | 0 | 110 | M117 N118 S123 G124 L125 | M117-L121 HydrophobicContact CE-CD2 3.8Å; M117-L121 HydrophobicContact CG-CB 4.22Å; M117-L121 HydrophobicContact CG-CD2 3.8Å; M117-L121 HydrophobicContact CG-CG 4.49Å; M117-L121 HydrophobicContact SD-CD2 3.33Å; M117-L121 WeakPolarHBondContact SD-CD2 3.49Å; N118-L121 WeakPolarHBondContact OD1-CB 3.35Å; N118-L121 PolarHBondContact OD1-N 3.41Å; L121-S123 VanDerWaalsContact C-N 3.32Å; L121-S123 PolarHBondContact O-N 2.96Å; L121-G124 PolarHBondContact O-N 2.75Å; L121-G124 VanDerWaalsContact O-N 3.11Å; L121-L125 HydrophobicContact CD2-CD1 3.61Å; L121-L125 HydrophobicContact CD2-CD2 4.34Å; L121-L125 HydrophobicContact CD2-CG 3.86Å; L121-L125 WeakPolarHBondContact O-CG 3.33Å; L121-L125 PolarHBondContact O-N 2.8Å |
| 122 | A | 92 | Very high | 91.1 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.4 | -35 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M117 N118 L125 L126 Y133 | M117-A122 HydrophobicContact CG-CB 4.28Å; M117-A122 HydrophobicContact SD-CB 4.13Å; N118-A122 WeakPolarHBondContact O-CB 3.38Å; N118-A122 PolarHBondContact O-N 3.46Å; A122-L125 PolarHBondContact O-N 3.32Å; A122-L126 WeakPolarHBondContact O-CB 3.36Å; A122-L126 WeakPolarHBondContact O-CG 2.91Å; A122-L126 PolarHBondContact O-N 3.25Å; A122-Y133 HydrophobicContact CB-CD1 4.15Å; A122-Y133 HydrophobicContact CB-CD2 3.77Å; A122-Y133 HydrophobicContact CB-CE1 3.75Å; A122-Y133 HydrophobicContact CB-CE2 3.36Å; A122-Y133 HydrophobicContact CB-CG 4.13Å |
| 123 | S | 89.4 | Confident | 91.3 | Very high | 12 Ų | 12 | 57.4 Ų | 57.4 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 172.2 | 45.4 | 0 | 0 | 0 | 0 | 112.2 | S119 Q120 L121 L125 L126 Q127 I128 | S119-S123 WeakPolarHBondContact O-CB 3.3Å; S119-S123 PolarHBondContact O-N 3.33Å; S119-S123 PolarHBondContact O-OG 3.44Å; Q120-S123 WeakPolarHBondContact CA-OG 3.46Å; Q120-S123 PolarHBondContact O-OG 3.4Å; L121-S123 VanDerWaalsContact C-N 3.32Å; L121-S123 PolarHBondContact O-N 2.96Å; S123-L125 VanDerWaalsContact C-N 3.31Å; S123-L125 PolarHBondContact O-N 3.06Å; S123-L126 PolarHBondContact O-N 2.81Å; S123-Q127 WeakPolarHBondContact O-CA 3.4Å; S123-Q127 PolarHBondContact O-N 2.76Å; S123-I128 WeakPolarHBondContact CA-O 3.29Å; S123-I128 WeakPolarHBondContact CB-O 3.36Å; S123-I128 PolarHBondContact O-N 3.46Å |
| 124 | G | 87.7 | Confident | 91.5 | Very high | 27 Ų | 27 | 61.3 Ų | 61.3 | 28% | 0.278 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.4 | -33.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R38 Q120 L121 | R38-G124 PolarHBondContact NE-O 3.35Å; R38-G124 PolarHBondContact NH2-O 2.63Å; Q120-G124 PolarHBondContact O-N 2.88Å; L121-G124 PolarHBondContact O-N 2.75Å; L121-G124 VanDerWaalsContact O-N 3.11Å |
| 125 | L | 89.6 | Confident | 92 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.3 | -45 | 175.8 | -62.1 | -176.4 | 0 | 0 | 0 | 112.2 | T34 Y37 R38 V41 L111 M117 L121 A122 S123 | T34-L125 HydrophobicContact CG2-CD2 4.03Å; T34-L125 VanDerWaalsContact O-CD2 3.31Å; T34-L125 WeakPolarHBondContact O-CD2 3.46Å; Y37-L125 VanDerWaalsContact CB-CD2 3.49Å; Y37-L125 HydrophobicContact CG-CD1 4.32Å; R38-L125 HydrophobicContact CB-CD2 4.13Å; V41-L125 HydrophobicContact CG2-CD1 4.4Å; L111-L125 HydrophobicContact CD1-CD1 4.33Å; M117-L125 HydrophobicContact CE-CD1 3.99Å; M117-L125 HydrophobicContact SD-CD1 3.53Å; M117-L125 VanDerWaalsContact SD-CD1 3.53Å; L121-L125 HydrophobicContact CD2-CD1 3.61Å; L121-L125 HydrophobicContact CD2-CD2 4.34Å; L121-L125 HydrophobicContact CD2-CG 3.86Å; L121-L125 WeakPolarHBondContact O-CG 3.33Å; L121-L125 PolarHBondContact O-N 2.8Å; A122-L125 PolarHBondContact O-N 3.32Å; S123-L125 VanDerWaalsContact C-N 3.31Å; S123-L125 PolarHBondContact O-N 3.06Å |
| 126 | L | 91 | Very high | 92.5 | Very high | 28 Ų | 28 | 61.4 Ų | 61.4 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -91.6 | -2.7 | -172.7 | -67.4 | 167.8 | 0 | 0 | 0 | 114 | V41 I45 C107 I108 L111 A122 S123 I128 Y133 | V41-L126 HydrophobicContact CG1-CD2 3.79Å; I45-L126 HydrophobicContact CD1-CD2 3.97Å; C107-L126 HydrophobicContact CB-CD2 4.48Å; I108-L126 HydrophobicContact CD1-CD1 4.15Å; I108-L126 HydrophobicContact CG1-CD1 3.37Å; L111-L126 HydrophobicContact CD1-CD1 4.36Å; A122-L126 WeakPolarHBondContact O-CB 3.36Å; A122-L126 WeakPolarHBondContact O-CG 2.91Å; A122-L126 PolarHBondContact O-N 3.25Å; S123-L126 PolarHBondContact O-N 2.81Å; L126-I128 VanDerWaalsContact C-N 3.29Å; L126-I128 HydrophobicContact CB-CD1 4.06Å; L126-I128 HydrophobicContact CB-CG1 3.91Å; L126-I128 HydrophobicContact CD1-CD1 4.18Å; L126-I128 PolarHBondContact O-N 2.91Å; L126-Y133 HydrophobicContact CD1-CD2 3.97Å; L126-Y133 HydrophobicContact CD1-CE2 4.22Å |
| 127 | Q | 90.1 | Very high | 93.1 | Very high | 147 Ų | 147 | 54.6 Ų | 54.6 | 69% | 0.687 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 43.3 | -176.9 | -55.4 | -177.2 | 14.1 | 0 | 0 | 113.2 | S123 | S123-Q127 WeakPolarHBondContact O-CA 3.4Å; S123-Q127 PolarHBondContact O-N 2.76Å |
| 128 | I | 94.3 | Very high | 93.5 | Very high | 40 Ų | 40 | 57 Ų | 57 | 21% | 0.205 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -128.4 | 161.8 | 175.9 | 59.7 | 179 | 0 | 0 | 0 | 109.8 | I108 S123 L126 T132 Y133 K136 | I108-I128 HydrophobicContact CD1-CD1 4.23Å; S123-I128 WeakPolarHBondContact CA-O 3.29Å; S123-I128 WeakPolarHBondContact CB-O 3.36Å; S123-I128 PolarHBondContact O-N 3.46Å; L126-I128 VanDerWaalsContact C-N 3.29Å; L126-I128 HydrophobicContact CB-CD1 4.06Å; L126-I128 HydrophobicContact CB-CG1 3.91Å; L126-I128 HydrophobicContact CD1-CD1 4.18Å; L126-I128 PolarHBondContact O-N 2.91Å; I128-T132 HydrophobicContact CB-CG2 4.25Å; I128-T132 HydrophobicContact CD1-CG2 4.37Å; I128-Y133 HydrophobicContact CD1-CD2 4.41Å; I128-K136 HydrophobicContact CD1-CD 4.48Å |
| 129 | T | 96.1 | Very high | 93.9 | Very high | 72 Ų | 72 | 61.6 Ų | 61.6 | 44% | 0.442 | 31% | 0.305 | S | S | . | . | trans | -67.7 | 150.1 | 176.3 | 68 | 0 | 0 | 0 | 0 | 112.1 | E131 T132 Y133 | T129-E131 PolarHBondContact O-N 2.87Å; T129-T132 WeakPolarHBondContact O-CB 3.41Å; T129-T132 PolarHBondContact O-N 2.91Å; T129-T132 WeakPolarHBondContact OG1-CB 3.42Å; T129-T132 PolarHBondContact OG1-N 3.49Å; T129-T132 PolarHBondContact OG1-OG1 3.46Å; T129-Y133 PolarHBondContact O-N 3.27Å | ||
| 130 | P | 96.6 | Very high | 94.1 | Very high | 35 Ų | 35 | 60.8 Ų | 60.8 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -52.9 | -36 | 174.2 | -25.5 | 32.7 | 0 | 0 | 0 | 113.2 | Y133 R134 | P130-Y133 PolarHBondContact O-N 3.29Å; P130-R134 WeakPolarHBondContact O-CG 3.5Å; P130-R134 PolarHBondContact O-N 2.74Å; P130-R134 PolarHBondContact O-NE 3.03Å |
| 131 | E | 96.8 | Very high | 94.4 | Very high | 89 Ų | 89 | 59.8 Ų | 59.8 | 42% | 0.416 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.1 | -46.1 | 176.4 | -65.8 | 56.7 | -120 | 0 | 0 | 110.6 | T129 Y133 R134 K135 | T129-E131 PolarHBondContact O-N 2.87Å; E131-Y133 VanDerWaalsContact C-N 3.34Å; E131-R134 PolarHBondContact O-N 3.44Å; E131-R134 IonicContact OE1-CZ 2.85Å; E131-R134 IonicContact OE1-NH2 2.63Å; E131-R134 PolarHBondContact OE1-NH2 3.36Å; E131-K135 WeakPolarHBondContact O-CG 3.35Å; E131-K135 PolarHBondContact O-N 3.19Å |
| 132 | T | 97.1 | Very high | 94.9 | Very high | 54 Ų | 54 | 66.4 Ų | 66.4 | 33% | 0.331 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 178 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | I128 T129 K135 K136 | I128-T132 HydrophobicContact CB-CG2 4.25Å; I128-T132 HydrophobicContact CD1-CG2 4.37Å; T129-T132 WeakPolarHBondContact O-CB 3.41Å; T129-T132 PolarHBondContact O-N 2.91Å; T129-T132 WeakPolarHBondContact OG1-CB 3.42Å; T129-T132 PolarHBondContact OG1-N 3.49Å; T129-T132 PolarHBondContact OG1-OG1 3.46Å; T132-K135 PolarHBondContact O-N 2.8Å; T132-K136 HydrophobicContact CG2-CD 4.39Å; T132-K136 HydrophobicContact CG2-CG 4.41Å; T132-K136 WeakPolarHBondContact O-CB 3.5Å; T132-K136 WeakPolarHBondContact O-CG 3.44Å; T132-K136 PolarHBondContact O-N 2.66Å |
| 133 | Y | 96.8 | Very high | 95 | Very high | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.4 | -51.5 | 174.6 | 172 | -102.6 | 0 | 0 | 0 | 111.5 | I108 G112 M117 A122 L126 I128 T129 P130 E131 K135 K136 L137 | I108-Y133 HydrophobicContact CB-CE2 4.36Å; I108-Y133 HydrophobicContact CG1-CD2 4.17Å; I108-Y133 HydrophobicContact CG1-CE2 4.27Å; I108-Y133 HydrophobicContact CG2-CD2 4.07Å; I108-Y133 HydrophobicContact CG2-CE2 3.82Å; G112-Y133 WeakPolarHBondContact CA-OH 3.17Å; G112-Y133 PolarHBondContact N-OH 3.11Å; M117-Y133 PolarHBondContact O-OH 3.01Å; A122-Y133 HydrophobicContact CB-CD1 4.15Å; A122-Y133 HydrophobicContact CB-CD2 3.77Å; A122-Y133 HydrophobicContact CB-CE1 3.75Å; A122-Y133 HydrophobicContact CB-CE2 3.36Å; A122-Y133 HydrophobicContact CB-CG 4.13Å; L126-Y133 HydrophobicContact CD1-CD2 3.97Å; L126-Y133 HydrophobicContact CD1-CE2 4.22Å; I128-Y133 HydrophobicContact CD1-CD2 4.41Å; T129-Y133 PolarHBondContact O-N 3.27Å; P130-Y133 PolarHBondContact O-N 3.29Å; E131-Y133 VanDerWaalsContact C-N 3.34Å; Y133-K135 VanDerWaalsContact C-N 3.32Å; Y133-K135 PolarHBondContact O-N 2.76Å; Y133-K136 PolarHBondContact O-N 3.49Å; Y133-L137 HydrophobicContact CE1-CD2 4.08Å; Y133-L137 WeakPolarHBondContact O-CB 3.2Å; Y133-L137 PolarHBondContact O-N 2.85Å |
| 134 | R | 97.1 | Very high | 95.3 | Very high | 133 Ų | 133 | 70.9 Ų | 70.9 | 50% | 0.502 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 178.9 | -74.6 | -178.5 | -73.2 | 141.5 | -11 | 112.1 | P130 E131 S138 | P130-R134 WeakPolarHBondContact O-CG 3.5Å; P130-R134 PolarHBondContact O-N 2.74Å; P130-R134 PolarHBondContact O-NE 3.03Å; E131-R134 PolarHBondContact O-N 3.44Å; E131-R134 IonicContact OE1-CZ 2.85Å; E131-R134 IonicContact OE1-NH2 2.63Å; E131-R134 PolarHBondContact OE1-NH2 3.36Å; R134-S138 WeakPolarHBondContact O-CB 3.42Å; R134-S138 PolarHBondContact O-N 3.36Å |
| 135 | K | 97.7 | Very high | 95.7 | Very high | 143 Ų | 143 | 71.2 Ų | 71.2 | 62% | 0.622 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.8 | -48 | 176.8 | -73.7 | 179.5 | -179.8 | 179.1 | 0 | 111.9 | E131 T132 Y133 S138 R139 | E131-K135 WeakPolarHBondContact O-CG 3.35Å; E131-K135 PolarHBondContact O-N 3.19Å; T132-K135 PolarHBondContact O-N 2.8Å; Y133-K135 VanDerWaalsContact C-N 3.32Å; Y133-K135 PolarHBondContact O-N 2.76Å; K135-S138 PolarHBondContact O-N 2.75Å; K135-R139 WeakPolarHBondContact O-CG 3.49Å; K135-R139 PolarHBondContact O-N 3.35Å |
| 136 | K | 97.3 | Very high | 96 | Very high | 53 Ų | 53 | 78.2 Ų | 78.2 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 177.5 | -76.2 | -169.4 | 174.2 | -172.4 | 0 | 111.4 | E104 I108 I128 T132 Y133 S138 R139 A140 | E104-K136 IonicContact OE2-NZ 2.6Å; E104-K136 PolarHBondContact OE2-NZ 3Å; I108-K136 HydrophobicContact CD1-CB 3.64Å; I108-K136 HydrophobicContact CD1-CD 3.4Å; I108-K136 HydrophobicContact CD1-CG 4.16Å; I108-K136 HydrophobicContact CG2-CB 4.32Å; I128-K136 HydrophobicContact CD1-CD 4.48Å; T132-K136 HydrophobicContact CG2-CD 4.39Å; T132-K136 HydrophobicContact CG2-CG 4.41Å; T132-K136 WeakPolarHBondContact O-CB 3.5Å; T132-K136 WeakPolarHBondContact O-CG 3.44Å; T132-K136 PolarHBondContact O-N 2.66Å; Y133-K136 PolarHBondContact O-N 3.49Å; K136-S138 PolarHBondContact O-N 3.18Å; K136-R139 PolarHBondContact O-N 3.02Å; K136-A140 WeakPolarHBondContact O-CB 3.35Å; K136-A140 PolarHBondContact O-N 3.49Å |
| 137 | L | 97.7 | Very high | 96.1 | Very high | 16 Ų | 16 | 77.6 Ų | 77.6 | 8% | 0.084 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 177.2 | 178.7 | 59.6 | 0 | 0 | 0 | 112.1 | I108 Y133 R139 A140 R141 | I108-L137 HydrophobicContact CG2-CB 3.69Å; I108-L137 HydrophobicContact CG2-CD1 4.09Å; I108-L137 HydrophobicContact CG2-CG 4.49Å; Y133-L137 HydrophobicContact CE1-CD2 4.08Å; Y133-L137 WeakPolarHBondContact O-CB 3.2Å; Y133-L137 PolarHBondContact O-N 2.85Å; L137-R139 VanDerWaalsContact C-N 3.33Å; L137-R139 PolarHBondContact O-N 2.88Å; L137-A140 PolarHBondContact O-N 2.91Å; L137-R141 HydrophobicContact CD1-CG 4.23Å; L137-R141 WeakPolarHBondContact O-CB 3.4Å; L137-R141 WeakPolarHBondContact O-CG 3.27Å; L137-R141 PolarHBondContact O-N 3.4Å |
| 138 | S | 97.5 | Very high | 96.3 | Very high | 76 Ų | 76 | 72.8 Ų | 72.8 | 53% | 0.531 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 175.7 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | R134 K135 K136 R141 K142 | R134-S138 WeakPolarHBondContact O-CB 3.42Å; R134-S138 PolarHBondContact O-N 3.36Å; K135-S138 PolarHBondContact O-N 2.75Å; K136-S138 PolarHBondContact O-N 3.18Å; S138-R141 PolarHBondContact O-N 2.83Å; S138-K142 WeakPolarHBondContact O-CB 3.49Å; S138-K142 PolarHBondContact O-N 3.24Å |
| 139 | R | 97.2 | Very high | 96.3 | Very high | 185 Ų | 185 | 77 Ų | 77 | 70% | 0.698 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.2 | -45.5 | 177.1 | -70.6 | 173.6 | -178.4 | -166.4 | -0.6 | 112.3 | K135 K136 L137 K142 R143 | K135-R139 WeakPolarHBondContact O-CG 3.49Å; K135-R139 PolarHBondContact O-N 3.35Å; K136-R139 PolarHBondContact O-N 3.02Å; L137-R139 VanDerWaalsContact C-N 3.33Å; L137-R139 PolarHBondContact O-N 2.88Å; R139-K142 PolarHBondContact O-N 3.36Å; R139-R143 WeakPolarHBondContact O-CB 3.33Å; R139-R143 PolarHBondContact O-N 3Å |
| 140 | A | 96.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 77.4 Ų | 77.4 | 3% | 0.033 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F109 K136 L137 R143 M144 | F109-A140 HydrophobicContact CB-CB 4.24Å; F109-A140 HydrophobicContact CD2-CB 4.27Å; K136-A140 WeakPolarHBondContact O-CB 3.35Å; K136-A140 PolarHBondContact O-N 3.49Å; L137-A140 PolarHBondContact O-N 2.91Å; A140-R143 PolarHBondContact O-N 3.42Å; A140-M144 WeakPolarHBondContact O-CB 3.33Å; A140-M144 PolarHBondContact O-N 3.19Å |
| 141 | R | 97 | Very high | 96 | Very high | 109 Ų | 109 | 77.3 Ų | 77.3 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 174.2 | -75.3 | 179 | 177.7 | 167.2 | 0.6 | 112.4 | F109 G112 T113 L137 S138 R143 M144 G145 | F109-R141 HydrophobicContact CD2-CG 4.15Å; F109-R141 HydrophobicContact CE2-CG 4.03Å; G112-R141 VanDerWaalsContact C-NH2 3.33Å; G112-R141 PolarHBondContact O-NH2 3.14Å; T113-R141 PolarHBondContact OG1-NE 3.31Å; T113-R141 PolarHBondContact OG1-NH2 3.14Å; L137-R141 HydrophobicContact CD1-CG 4.23Å; L137-R141 WeakPolarHBondContact O-CB 3.4Å; L137-R141 WeakPolarHBondContact O-CG 3.27Å; L137-R141 PolarHBondContact O-N 3.4Å; S138-R141 PolarHBondContact O-N 2.83Å; R141-R143 VanDerWaalsContact C-N 3.33Å; R141-R143 PolarHBondContact O-N 3.14Å; R141-M144 PolarHBondContact O-N 3.32Å; R141-G145 PolarHBondContact O-N 2.84Å |
| 142 | K | 96.9 | Very high | 95.8 | Very high | 167 Ų | 167 | 74.2 Ų | 74.2 | 73% | 0.726 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63 | -40.8 | 177.8 | -170.6 | 174.3 | -176.6 | 175.8 | 0 | 111.7 | S138 R139 K146 | S138-K142 WeakPolarHBondContact O-CB 3.49Å; S138-K142 PolarHBondContact O-N 3.24Å; R139-K142 PolarHBondContact O-N 3.36Å; K142-K146 WeakPolarHBondContact O-CB 3.47Å; K142-K146 PolarHBondContact O-N 2.93Å |
| 143 | R | 95.7 | Very high | 95.5 | Very high | 98 Ų | 98 | 73.4 Ų | 73.4 | 37% | 0.37 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 176.8 | -173.1 | 176.9 | -175.5 | -167.3 | -1 | 111.4 | F59 R139 A140 R141 F147 | F59-R143 HydrophobicContact CD2-CG 4.41Å; F59-R143 HydrophobicContact CE2-CG 3.97Å; R139-R143 WeakPolarHBondContact O-CB 3.33Å; R139-R143 PolarHBondContact O-N 3Å; A140-R143 PolarHBondContact O-N 3.42Å; R141-R143 VanDerWaalsContact C-N 3.33Å; R141-R143 PolarHBondContact O-N 3.14Å; R143-F147 PolarHBondContact O-N 3.45Å |
| 144 | M | 95.6 | Very high | 95.2 | Very high | 9 Ų | 9 | 78.7 Ų | 78.7 | 4% | 0.044 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 177.2 | -171.8 | 64.8 | 75 | 0 | 0 | 111.3 | F59 M97 L98 L101 F109 A140 R141 K146 F147 L148 | F59-M144 HydrophobicContact CE1-SD 4.15Å; F59-M144 HydrophobicContact CZ-CE 4.17Å; F59-M144 HydrophobicContact CZ-SD 4.12Å; M97-M144 HydrophobicContact CB-CE 4.05Å; M97-M144 HydrophobicContact CB-SD 3.8Å; M97-M144 HydrophobicContact CG-SD 4.45Å; M97-M144 HydrophobicContact SD-SD 4.24Å; L98-M144 HydrophobicContact CD2-CE 4.14Å; L101-M144 HydrophobicContact CD1-CE 3.78Å; L101-M144 HydrophobicContact CG-CE 4.14Å; F109-M144 HydrophobicContact CE2-CB 3.83Å; F109-M144 HydrophobicContact CE2-CG 4.01Å; F109-M144 HydrophobicContact CZ-CB 4.29Å; F109-M144 HydrophobicContact CZ-CG 3.94Å; A140-M144 WeakPolarHBondContact O-CB 3.33Å; A140-M144 PolarHBondContact O-N 3.19Å; R141-M144 PolarHBondContact O-N 3.32Å; M144-K146 PolarHBondContact O-N 3.49Å; M144-F147 PolarHBondContact O-N 3.3Å; M144-F147 VanDerWaalsContact O-N 3.13Å; M144-L148 HydrophobicContact CG-CD1 3.89Å; M144-L148 HydrophobicContact CG-CG 4.35Å; M144-L148 WeakPolarHBondContact O-CG 3.37Å; M144-L148 PolarHBondContact O-N 3.49Å |
| 145 | G | 95.3 | Very high | 94.8 | Very high | 33 Ų | 33 | 74.8 Ų | 74.8 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R141 F147 L148 E149 | R141-G145 PolarHBondContact O-N 2.84Å; G145-F147 VanDerWaalsContact C-N 3.26Å; G145-F147 PolarHBondContact O-N 3.41Å; G145-L148 PolarHBondContact O-N 3.32Å; G145-E149 WeakPolarHBondContact O-CB 3.47Å; G145-E149 PolarHBondContact O-N 3.39Å |
| 146 | K | 95.1 | Very high | 94.4 | Very high | 147 Ų | 147 | 71.4 Ų | 71.4 | 64% | 0.639 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -58.4 | -39.1 | 175.7 | -176 | 178.7 | 179.8 | -177 | 0 | 112 | K142 M144 N150 | K142-K146 WeakPolarHBondContact O-CB 3.47Å; K142-K146 PolarHBondContact O-N 2.93Å; M144-K146 PolarHBondContact O-N 3.49Å; K146-N150 PolarHBondContact O-ND2 3.29Å |
| 147 | F | 94.7 | Very high | 94 | Very high | 15 Ų | 15 | 69.7 Ų | 69.7 | 7% | 0.066 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.6 | -47 | 177.3 | -173.3 | -93.9 | 0 | 0 | 0 | 111.3 | F59 M62 Q63 L66 M97 R143 M144 G145 E149 N150 Y151 | F59-F147 HydrophobicContact CB-CD2 3.96Å; F59-F147 HydrophobicContact CB-CE2 4.11Å; F59-F147 HydrophobicContact CD1-CB 3.86Å; F59-F147 AromaticContact CD1-CD1 3.85Å; F59-F147 HydrophobicContact CD1-CD1 3.85Å; F59-F147 AromaticContact CD1-CD2 3.39Å; F59-F147 HydrophobicContact CD1-CD2 3.39Å; F59-F147 HydrophobicContact CD1-CE1 4.23Å; F59-F147 AromaticContact CD1-CE2 3.81Å; F59-F147 HydrophobicContact CD1-CE2 3.81Å; F59-F147 AromaticContact CD1-CG 3.4Å; F59-F147 HydrophobicContact CD1-CG 3.4Å; F59-F147 HydrophobicContact CD1-CZ 4.21Å; F59-F147 HydrophobicContact CE1-CB 3.9Å; F59-F147 AromaticContact CE1-CD1 3.99Å; F59-F147 HydrophobicContact CE1-CD1 3.99Å; F59-F147 HydrophobicContact CE1-CD2 4.23Å; F59-F147 AromaticContact CE1-CG 3.77Å; F59-F147 HydrophobicContact CE1-CG 3.77Å; F59-F147 HydrophobicContact CG-CD2 4.04Å; F59-F147 HydrophobicContact CG-CE2 4.45Å; F59-F147 HydrophobicContact CG-CG 4.38Å; F59-F147 WeakPolarHBondContact O-CE2 3.31Å; M62-F147 HydrophobicContact CB-CE2 4.48Å; M62-F147 HydrophobicContact CB-CZ 3.9Å; M62-F147 HydrophobicContact CG-CE1 4.22Å; M62-F147 HydrophobicContact CG-CZ 3.74Å; M62-F147 HydrophobicContact SD-CE1 3.75Å; M62-F147 HydrophobicContact SD-CZ 3.85Å; Q63-F147 HydrophobicContact CB-CE2 4.27Å; L66-F147 HydrophobicContact CD1-CE1 3.98Å; L66-F147 HydrophobicContact CD1-CZ 3.73Å; M97-F147 HydrophobicContact CG-CD1 4.2Å; M97-F147 HydrophobicContact CG-CE1 4.03Å; M97-F147 HydrophobicContact SD-CD1 3.66Å; M97-F147 HydrophobicContact SD-CE1 3.78Å; R143-F147 PolarHBondContact O-N 3.45Å; M144-F147 PolarHBondContact O-N 3.3Å; M144-F147 VanDerWaalsContact O-N 3.13Å; G145-F147 VanDerWaalsContact C-N 3.26Å; G145-F147 PolarHBondContact O-N 3.41Å; F147-E149 PolarHBondContact O-N 3.16Å; F147-N150 PolarHBondContact O-N 3.08Å; F147-Y151 HydrophobicContact CD1-CD2 4.46Å; F147-Y151 AromaticContact CD2-CD2 3.62Å; F147-Y151 HydrophobicContact CD2-CD2 3.62Å; F147-Y151 AromaticContact CD2-CE2 4Å; F147-Y151 HydrophobicContact CD2-CE2 4Å; F147-Y151 HydrophobicContact CE1-CD2 4.45Å; F147-Y151 AromaticContact CE2-CD2 3.62Å; F147-Y151 HydrophobicContact CE2-CD2 3.62Å; F147-Y151 HydrophobicContact CE2-CE2 4.02Å; F147-Y151 HydrophobicContact CE2-CG 4.27Å; F147-Y151 HydrophobicContact CG-CD2 4.08Å; F147-Y151 HydrophobicContact CZ-CD2 4.06Å; F147-Y151 HydrophobicContact CZ-CG 4.3Å; F147-Y151 WeakPolarHBondContact O-CB 3.26Å; F147-Y151 VanDerWaalsContact O-CD2 3.28Å; F147-Y151 WeakPolarHBondContact O-CD2 3.44Å; F147-Y151 PolarHBondContact O-N 3.05Å |
| 148 | L | 94.5 | Very high | 93.5 | Very high | 47 Ų | 47 | 75.1 Ų | 75.1 | 25% | 0.246 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 179.2 | -71.3 | 172.2 | 0 | 0 | 0 | 112.3 | M97 M144 G145 N150 Y151 C152 A155 | M97-L148 HydrophobicContact CE-CD2 3.57Å; M97-L148 HydrophobicContact SD-CD2 3.49Å; M97-L148 WeakPolarHBondContact SD-CD2 3.35Å; M97-L148 HydrophobicContact SD-CG 4.29Å; M144-L148 HydrophobicContact CG-CD1 3.89Å; M144-L148 HydrophobicContact CG-CG 4.35Å; M144-L148 WeakPolarHBondContact O-CG 3.37Å; M144-L148 PolarHBondContact O-N 3.49Å; G145-L148 PolarHBondContact O-N 3.32Å; L148-N150 VanDerWaalsContact C-N 3.29Å; L148-N150 PolarHBondContact O-N 3.44Å; L148-Y151 PolarHBondContact O-N 2.96Å; L148-C152 HydrophobicContact CB-CB 4.34Å; L148-C152 HydrophobicContact CD2-CB 3.66Å; L148-C152 WeakPolarHBondContact O-CA 3.26Å; L148-C152 WeakPolarHBondContact O-CB 3.12Å; L148-C152 PolarHBondContact O-N 2.91Å; L148-A155 HydrophobicContact CB-CB 3.88Å |
| 149 | E | 93.9 | Very high | 93.2 | Very high | 127 Ų | 127 | 72.6 Ų | 72.6 | 59% | 0.593 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -57.6 | -39.8 | 180 | -177.4 | 179.5 | -167.7 | 0 | 0 | 112.6 | G145 F147 G157 | G145-E149 WeakPolarHBondContact O-CB 3.47Å; G145-E149 PolarHBondContact O-N 3.39Å; F147-E149 PolarHBondContact O-N 3.16Å; E149-G157 WeakPolarHBondContact O-CA 3.48Å; E149-G157 PolarHBondContact O-N 2.88Å |
| 150 | N | 92.7 | Very high | 92.8 | Very high | 81 Ų | 81 | 66.8 Ų | 66.8 | 43% | 0.433 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -81.4 | -34.6 | -178.6 | -71.3 | -58.6 | 0 | 0 | 0 | 112.7 | K146 F147 L148 K158 | K146-N150 PolarHBondContact O-ND2 3.29Å; F147-N150 PolarHBondContact O-N 3.08Å; L148-N150 VanDerWaalsContact C-N 3.29Å; L148-N150 PolarHBondContact O-N 3.44Å; N150-K158 PolarHBondContact O-N 3.32Å |
| 151 | Y | 92.7 | Very high | 92.6 | Very high | 34 Ų | 34 | 67.2 Ų | 67.2 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -117.8 | -27.1 | -164.7 | -62.4 | -75.5 | 0 | 0 | 0 | 114.9 | Q63 L66 F147 L148 C159 | Q63-Y151 HydrophobicContact CB-CE1 4.4Å; Q63-Y151 HydrophobicContact CG-CE1 3.72Å; Q63-Y151 HydrophobicContact CG-CE2 4.42Å; Q63-Y151 WeakPolarHBondContact CG-OH 3.21Å; Q63-Y151 PolarHBondContact NE2-OH 3.24Å; Q63-Y151 VanDerWaalsContact NE2-OH 3.08Å; Q63-Y151 PolarHBondContact OE1-OH 2.72Å; L66-Y151 HydrophobicContact CB-CD1 4.49Å; L66-Y151 HydrophobicContact CD1-CD1 4.48Å; L66-Y151 HydrophobicContact CD1-CG 4.25Å; F147-Y151 HydrophobicContact CD1-CD2 4.46Å; F147-Y151 AromaticContact CD2-CD2 3.62Å; F147-Y151 HydrophobicContact CD2-CD2 3.62Å; F147-Y151 AromaticContact CD2-CE2 4Å; F147-Y151 HydrophobicContact CD2-CE2 4Å; F147-Y151 HydrophobicContact CE1-CD2 4.45Å; F147-Y151 AromaticContact CE2-CD2 3.62Å; F147-Y151 HydrophobicContact CE2-CD2 3.62Å; F147-Y151 HydrophobicContact CE2-CE2 4.02Å; F147-Y151 HydrophobicContact CE2-CG 4.27Å; F147-Y151 HydrophobicContact CG-CD2 4.08Å; F147-Y151 HydrophobicContact CZ-CD2 4.06Å; F147-Y151 HydrophobicContact CZ-CG 4.3Å; F147-Y151 WeakPolarHBondContact O-CB 3.26Å; F147-Y151 VanDerWaalsContact O-CD2 3.28Å; F147-Y151 WeakPolarHBondContact O-CD2 3.44Å; F147-Y151 PolarHBondContact O-N 3.05Å; L148-Y151 PolarHBondContact O-N 2.96Å; Y151-C159 WeakPolarHBondContact O-CA 3.31Å; Y151-C159 WeakPolarHBondContact O-CB 3.42Å; Y151-C159 PolarHBondContact O-N 3.43Å |
| 152 | C | 92.6 | Very high | 92.2 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 16% | 0.162 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -99.1 | 121.2 | -174.5 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | L148 H154 A155 G156 G157 | L148-C152 HydrophobicContact CB-CB 4.34Å; L148-C152 HydrophobicContact CD2-CB 3.66Å; L148-C152 WeakPolarHBondContact O-CA 3.26Å; L148-C152 WeakPolarHBondContact O-CB 3.12Å; L148-C152 PolarHBondContact O-N 2.91Å; C152-H154 PolarHBondContact O-N 3.12Å; C152-A155 CarbonylContact O-C 3.53Å; C152-A155 WeakPolarHBondContact O-CA 3.38Å; C152-A155 PolarHBondContact O-N 3.06Å; C152-G156 PolarHBondContact O-N 2.94Å; C152-G157 WeakPolarHBondContact O-CA 3.2Å; C152-G157 PolarHBondContact O-N 2.97Å |
| 153 | G | 91.5 | Very high | 91.8 | Very high | 36 Ų | 36 | 66.7 Ų | 66.7 | 37% | 0.371 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -58.4 | -30.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | A155 G156 G157 C159 | G153-A155 PolarHBondContact O-N 2.83Å; G153-A155 VanDerWaalsContact O-N 3.14Å; G153-G156 PolarHBondContact O-N 3.05Å; G153-G156 VanDerWaalsContact O-N 3.08Å; G153-G157 WeakPolarHBondContact CA-O 3.33Å; G153-C159 WeakPolarHBondContact CA-O 3.32Å; G153-C159 PolarHBondContact N-O 3.31Å |
| 154 | H | 89.5 | Confident | 91.5 | Very high | 116 Ų | 116 | 62.4 Ų | 62.4 | 54% | 0.537 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -65.1 | -15.9 | 174.5 | -63.2 | 86.3 | 0 | 0 | 0 | 113.7 | K90 C152 | K90-H154 VanDerWaalsContact CD-CE1 3.49Å; K90-H154 WeakPolarHBondContact CD-CE1 3.49Å; K90-H154 WeakPolarHBondContact CD-NE2 3.4Å; C152-H154 PolarHBondContact O-N 3.12Å |
| 155 | A | 89.4 | Confident | 91.3 | Very high | 51 Ų | 51 | 62.1 Ų | 62.1 | 42% | 0.421 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -115.6 | 14.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L148 C152 G153 | L148-A155 HydrophobicContact CB-CB 3.88Å; C152-A155 CarbonylContact O-C 3.53Å; C152-A155 WeakPolarHBondContact O-CA 3.38Å; C152-A155 PolarHBondContact O-N 3.06Å; G153-A155 PolarHBondContact O-N 2.83Å; G153-A155 VanDerWaalsContact O-N 3.14Å |
| 156 | G | 88.4 | Confident | 91 | Very high | 72 Ų | 72 | 62.2 Ų | 62.2 | 74% | 0.742 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | 4.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | C152 G153 | C152-G156 PolarHBondContact O-N 2.94Å; G153-G156 PolarHBondContact O-N 3.05Å; G153-G156 VanDerWaalsContact O-N 3.08Å |
| 157 | G | 88.9 | Confident | 90.6 | Very high | 17 Ų | 17 | 55.8 Ų | 55.8 | 18% | 0.175 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -78.7 | -174.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E149 C152 G153 | E149-G157 WeakPolarHBondContact O-CA 3.48Å; E149-G157 PolarHBondContact O-N 2.88Å; C152-G157 WeakPolarHBondContact O-CA 3.2Å; C152-G157 PolarHBondContact O-N 2.97Å; G153-G157 WeakPolarHBondContact CA-O 3.33Å |
| 158 | K | 88.1 | Confident | 90.4 | Very high | 130 Ų | 130 | 55.2 Ų | 55.2 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -85.4 | -17.8 | -170.5 | 65.4 | -178.2 | 176 | -176.2 | 0 | 117.1 | D67 N150 | D67-K158 WeakPolarHBondContact OD1-CE 3.27Å; D67-K158 IonicContact OD1-NZ 3.22Å; D67-K158 PolarHBondContact OD1-NZ 2.91Å; N150-K158 PolarHBondContact O-N 3.32Å |
| 159 | C | 90.5 | Very high | 90.2 | Very high | 23 Ų | 23 | 55 Ų | 55 | 16% | 0.155 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -75.1 | 136.3 | -177.3 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | L66 Y151 G153 R164 | L66-C159 HydrophobicContact CD2-CB 4.4Å; Y151-C159 WeakPolarHBondContact O-CA 3.31Å; Y151-C159 WeakPolarHBondContact O-CB 3.42Å; Y151-C159 PolarHBondContact O-N 3.43Å; G153-C159 WeakPolarHBondContact CA-O 3.32Å; G153-C159 PolarHBondContact N-O 3.31Å; C159-R164 WeakPolarHBondContact SG-CD 3.14Å |
| 160 | D | 90.2 | Very high | 89.9 | Confident | 62 Ų | 62 | 56.3 Ų | 56.3 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | trans | -115.2 | 119.3 | 168.5 | 179.4 | -17.8 | 0 | 0 | 0 | 108.7 | K162 R163 R164 | D160-K162 PolarHBondContact O-N 3.15Å; D160-K162 PolarHBondContact OD1-N 3.48Å; D160-R163 HydrophobicContact CB-CB 4.09Å; D160-R163 HydrophobicContact CB-CG 4.08Å; D160-R163 PolarHBondContact O-N 3.45Å; D160-R163 WeakPolarHBondContact OD2-CD 3.36Å; D160-R163 WeakPolarHBondContact OD2-CG 3.44Å; D160-R163 IonicContact OD2-NE 3.01Å; D160-R163 PolarHBondContact OD2-NE 2.93Å; D160-R164 WeakPolarHBondContact O-CG 3.42Å; D160-R164 PolarHBondContact O-N 3.32Å; D160-R164 VanDerWaalsContact O-N 3.15Å | ||
| 161 | C | 90.8 | Very high | 89.6 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 9% | 0.088 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.8 | -44.4 | -178.6 | -73.2 | 0 | 0 | 0 | 0 | 111.7 | A86 L89 R163 R164 V165 | A86-C161 HydrophobicContact CB-CB 4.02Å; L89-C161 WeakPolarHBondContact CD2-O 3.45Å; C161-R163 PolarHBondContact O-N 2.96Å; C161-R164 PolarHBondContact O-N 3.27Å; C161-V165 PolarHBondContact O-N 2.93Å; C161-V165 VanDerWaalsContact O-N 3.16Å |
| 162 | K | 89.9 | Confident | 89.3 | Confident | 87 Ų | 87 | 63.7 Ų | 63.7 | 38% | 0.378 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.9 | -48.2 | -178.8 | -67.9 | -170.4 | 176.3 | -156.6 | 0 | 111 | D83 A86 D160 R164 V165 | D83-K162 WeakPolarHBondContact OD1-CE 3.08Å; D83-K162 IonicContact OD1-NZ 3.86Å; D83-K162 PolarHBondContact OD1-NZ 3.35Å; D83-K162 IonicContact OD2-NZ 2.98Å; A86-K162 HydrophobicContact CB-CG 3.75Å; D160-K162 PolarHBondContact O-N 3.15Å; D160-K162 PolarHBondContact OD1-N 3.48Å; K162-R164 PolarHBondContact O-N 3.35Å; K162-V165 WeakPolarHBondContact O-CB 3.47Å; K162-V165 PolarHBondContact O-N 3.04Å; K162-V165 VanDerWaalsContact O-N 3.16Å |
| 163 | R | 88.2 | Confident | 89 | Confident | 178 Ų | 178 | 66.5 Ų | 66.5 | 67% | 0.672 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.4 | -23 | 178.2 | -64.2 | -180 | -176.7 | -171.2 | -3.4 | 113.4 | L70 D160 C161 | L70-R163 HydrophobicContact CD1-CB 3.84Å; D160-R163 HydrophobicContact CB-CB 4.09Å; D160-R163 HydrophobicContact CB-CG 4.08Å; D160-R163 PolarHBondContact O-N 3.45Å; D160-R163 WeakPolarHBondContact OD2-CD 3.36Å; D160-R163 WeakPolarHBondContact OD2-CG 3.44Å; D160-R163 IonicContact OD2-NE 3.01Å; D160-R163 PolarHBondContact OD2-NE 2.93Å; C161-R163 PolarHBondContact O-N 2.96Å |
| 164 | R | 89.8 | Confident | 88.9 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 3% | 0.034 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -88.8 | -13.8 | 178.5 | -73.7 | -167.6 | 77.9 | 89.2 | -4.1 | 114 | D65 L66 L70 L89 C159 D160 C161 K162 F167 A168 | D65-R164 PolarHBondContact O-NH2 2.91Å; D65-R164 IonicContact OD1-NH2 2.66Å; D65-R164 IonicContact OD2-NH2 3.26Å; D65-R164 PolarHBondContact OD2-NH2 3.48Å; L66-R164 PolarHBondContact O-NH1 3.29Å; L70-R164 HydrophobicContact CD1-CG 4.05Å; L70-R164 HydrophobicContact CD2-CG 3.68Å; L89-R164 HydrophobicContact CD2-CB 3.6Å; C159-R164 WeakPolarHBondContact SG-CD 3.14Å; D160-R164 WeakPolarHBondContact O-CG 3.42Å; D160-R164 PolarHBondContact O-N 3.32Å; D160-R164 VanDerWaalsContact O-N 3.15Å; C161-R164 PolarHBondContact O-N 3.27Å; K162-R164 PolarHBondContact O-N 3.35Å; R164-F167 WeakPolarHBondContact O-CB 3.29Å; R164-F167 PolarHBondContact O-N 3.05Å; R164-F167 VanDerWaalsContact O-N 3.14Å; R164-A168 WeakPolarHBondContact O-CB 3.32Å; R164-A168 PolarHBondContact O-N 2.83Å |
| 165 | V | 90.7 | Very high | 89 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -52.5 | -52.2 | -179.4 | 165.9 | 0 | 0 | 0 | 0 | 112 | L85 A86 L89 C161 K162 F167 A168 I169 L174 | L85-V165 HydrophobicContact CB-CB 4.47Å; L85-V165 HydrophobicContact CB-CG1 3.73Å; L85-V165 HydrophobicContact CB-CG2 3.84Å; L85-V165 HydrophobicContact CD1-CG1 3.79Å; L85-V165 HydrophobicContact CG-CG1 4.34Å; A86-V165 HydrophobicContact CB-CG2 4.3Å; L89-V165 HydrophobicContact CD2-CG2 4.32Å; C161-V165 PolarHBondContact O-N 2.93Å; C161-V165 VanDerWaalsContact O-N 3.16Å; K162-V165 WeakPolarHBondContact O-CB 3.47Å; K162-V165 PolarHBondContact O-N 3.04Å; K162-V165 VanDerWaalsContact O-N 3.16Å; V165-F167 VanDerWaalsContact C-N 3.26Å; V165-F167 PolarHBondContact O-N 3.16Å; V165-A168 PolarHBondContact O-N 3.33Å; V165-A168 VanDerWaalsContact O-N 3.12Å; V165-I169 HydrophobicContact CG1-CD1 3.66Å; V165-I169 HydrophobicContact CG1-CG1 4.42Å; V165-I169 WeakPolarHBondContact O-CG1 3.34Å; V165-I169 PolarHBondContact O-N 2.86Å; V165-L174 HydrophobicContact CG1-CD2 4.05Å; V165-L174 HydrophobicContact CG2-CD2 4.31Å |
| 166 | P | 88.8 | Confident | 89 | Confident | 35 Ų | 35 | 63 Ų | 63 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -37.3 | -179.4 | -24.2 | 34.8 | 0 | 0 | 0 | 113 | P71 K170 | P71-P166 HydrophobicContact CG-CB 4.41Å; P166-K170 WeakPolarHBondContact O-CB 3.3Å; P166-K170 PolarHBondContact O-N 3.31Å; P166-K170 VanDerWaalsContact O-N 3.08Å |
| 167 | F | 88.1 | Confident | 89 | Confident | 13 Ų | 13 | 67 Ų | 67 | 6% | 0.057 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.1 | -42 | 177.1 | -179.1 | -106.8 | 0 | 0 | 0 | 112.1 | Q68 L70 P71 R164 V165 I169 K170 Q171 | Q68-F167 HydrophobicContact CB-CZ 4.34Å; L70-F167 HydrophobicContact CD2-CB 4.29Å; L70-F167 HydrophobicContact CD2-CG 4.46Å; P71-F167 HydrophobicContact CG-CB 4.17Å; R164-F167 WeakPolarHBondContact O-CB 3.29Å; R164-F167 PolarHBondContact O-N 3.05Å; R164-F167 VanDerWaalsContact O-N 3.14Å; V165-F167 VanDerWaalsContact C-N 3.26Å; V165-F167 PolarHBondContact O-N 3.16Å; F167-I169 VanDerWaalsContact C-N 3.33Å; F167-I169 PolarHBondContact O-N 2.68Å; F167-K170 PolarHBondContact O-N 2.86Å; F167-Q171 HydrophobicContact CD1-CG 4.4Å; F167-Q171 HydrophobicContact CD2-CG 4.41Å; F167-Q171 HydrophobicContact CE1-CG 3.98Å; F167-Q171 HydrophobicContact CE2-CG 3.96Å; F167-Q171 HydrophobicContact CZ-CG 3.69Å; F167-Q171 VanDerWaalsContact O-CG 3.3Å; F167-Q171 WeakPolarHBondContact O-CG 3.46Å; F167-Q171 PolarHBondContact O-N 3.33Å |
| 168 | A | 90.1 | Very high | 89 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 2% | 0.017 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64 | -38.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L89 R164 V165 Q171 H172 R173 L174 | L89-A168 HydrophobicContact CD1-CB 3.62Å; L89-A168 HydrophobicContact CD2-CB 3.99Å; L89-A168 HydrophobicContact CG-CB 4.44Å; R164-A168 WeakPolarHBondContact O-CB 3.32Å; R164-A168 PolarHBondContact O-N 2.83Å; V165-A168 PolarHBondContact O-N 3.33Å; V165-A168 VanDerWaalsContact O-N 3.12Å; A168-Q171 PolarHBondContact O-N 3.43Å; A168-H172 PolarHBondContact O-N 2.86Å; A168-R173 PolarHBondContact O-N 2.91Å; A168-L174 HydrophobicContact CB-CB 3.89Å; A168-L174 HydrophobicContact CB-CD2 4.41Å; A168-L174 PolarHBondContact O-N 3.06Å |
| 169 | I | 89.9 | Confident | 89.2 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 174.5 | -64.3 | 164.5 | 0 | 0 | 0 | 110.5 | F77 V165 F167 Q171 H172 L174 P176 | F77-I169 HydrophobicContact CE2-CD1 3.52Å; F77-I169 HydrophobicContact CZ-CD1 3.82Å; V165-I169 HydrophobicContact CG1-CD1 3.66Å; V165-I169 HydrophobicContact CG1-CG1 4.42Å; V165-I169 WeakPolarHBondContact O-CG1 3.34Å; V165-I169 PolarHBondContact O-N 2.86Å; F167-I169 VanDerWaalsContact C-N 3.33Å; F167-I169 PolarHBondContact O-N 2.68Å; I169-Q171 PolarHBondContact O-N 3.15Å; I169-H172 PolarHBondContact O-N 3.33Å; I169-L174 WeakPolarHBondContact CA-O 3.47Å; I169-L174 HydrophobicContact CG1-CB 4.19Å; I169-L174 HydrophobicContact CG1-CD2 4.07Å; I169-L174 HydrophobicContact CG1-CG 4.23Å; I169-P176 HydrophobicContact CD1-CG 3.51Å; I169-P176 HydrophobicContact CG1-CG 3.76Å; I169-P176 HydrophobicContact CG2-CG 4.17Å |
| 170 | K | 87.7 | Confident | 89.1 | Confident | 156 Ų | 156 | 69.4 Ų | 69.4 | 68% | 0.678 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.3 | -34.7 | 177.7 | -175.7 | -179.6 | 177.1 | -175.6 | 0 | 112.7 | P166 F167 H172 | P166-K170 WeakPolarHBondContact O-CB 3.3Å; P166-K170 PolarHBondContact O-N 3.31Å; P166-K170 VanDerWaalsContact O-N 3.08Å; F167-K170 PolarHBondContact O-N 2.86Å; K170-H172 PolarHBondContact O-N 3.3Å |
| 171 | Q | 86.8 | Confident | 89.2 | Confident | 89 Ų | 89 | 68.8 Ų | 68.8 | 42% | 0.416 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 7.2 | 176.8 | -64.5 | -66.6 | -7 | 0 | 0 | 113.3 | F167 A168 I169 R173 | F167-Q171 HydrophobicContact CD1-CG 4.4Å; F167-Q171 HydrophobicContact CD2-CG 4.41Å; F167-Q171 HydrophobicContact CE1-CG 3.98Å; F167-Q171 HydrophobicContact CE2-CG 3.96Å; F167-Q171 HydrophobicContact CZ-CG 3.69Å; F167-Q171 VanDerWaalsContact O-CG 3.3Å; F167-Q171 WeakPolarHBondContact O-CG 3.46Å; F167-Q171 PolarHBondContact O-N 3.33Å; A168-Q171 PolarHBondContact O-N 3.43Å; I169-Q171 PolarHBondContact O-N 3.15Å; Q171-R173 HydrophobicContact CB-CG 4.26Å; Q171-R173 PolarHBondContact O-N 3.09Å; Q171-R173 VanDerWaalsContact O-N 3.12Å |
| 172 | H | 86.6 | Confident | 89 | Confident | 180 Ų | 180 | 69.6 Ų | 69.6 | 83% | 0.833 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 26.5 | -176.8 | -56.6 | -70.3 | 0 | 0 | 0 | 114.4 | A168 I169 K170 | A168-H172 PolarHBondContact O-N 2.86Å; I169-H172 PolarHBondContact O-N 3.33Å; K170-H172 PolarHBondContact O-N 3.3Å |
| 173 | R | 85.9 | Confident | 88.9 | Confident | 84 Ų | 84 | 69.7 Ų | 69.7 | 32% | 0.317 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -93.5 | -13.2 | 176.3 | -68.7 | -173.7 | -68.6 | 177.4 | -10.3 | 113.3 | D65 A168 Q171 | D65-R173 VanDerWaalsContact CG-NH2 3.3Å; D65-R173 IonicContact OD1-CZ 2.57Å; D65-R173 IonicContact OD1-NH1 2.6Å; D65-R173 PolarHBondContact OD1-NH1 3.29Å; D65-R173 IonicContact OD1-NH2 3.92Å; D65-R173 PolarHBondContact OD1-NH2 2.98Å; D65-R173 IonicContact OD2-CZ 3.91Å; D65-R173 IonicContact OD2-NH1 3.33Å; D65-R173 PolarHBondContact OD2-NH1 3.25Å; D65-R173 IonicContact OD2-NH2 3.6Å; D65-R173 PolarHBondContact OD2-NH2 3.49Å; A168-R173 PolarHBondContact O-N 2.91Å; Q171-R173 HydrophobicContact CB-CG 4.26Å; Q171-R173 PolarHBondContact O-N 3.09Å; Q171-R173 VanDerWaalsContact O-N 3.12Å |
| 174 | L | 89.3 | Confident | 89 | Confident | 10 Ų | 10 | 65 Ų | 65 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | trans | -136.1 | 125.9 | 177 | -177.9 | 65.3 | 0 | 0 | 0 | 107.7 | L85 E88 L89 V165 A168 I169 | L85-L174 HydrophobicContact CB-CD2 4.13Å; L85-L174 HydrophobicContact CD2-CD1 4.47Å; L85-L174 HydrophobicContact CD2-CD2 4.02Å; L85-L174 HydrophobicContact CD2-CG 4.26Å; E88-L174 HydrophobicContact CB-CD1 3.83Å; E88-L174 HydrophobicContact CG-CD1 3.33Å; L89-L174 HydrophobicContact CB-CD2 4.39Å; V165-L174 HydrophobicContact CG1-CD2 4.05Å; V165-L174 HydrophobicContact CG2-CD2 4.31Å; A168-L174 HydrophobicContact CB-CB 3.89Å; A168-L174 HydrophobicContact CB-CD2 4.41Å; A168-L174 PolarHBondContact O-N 3.06Å; I169-L174 WeakPolarHBondContact CA-O 3.47Å; I169-L174 HydrophobicContact CG1-CB 4.19Å; I169-L174 HydrophobicContact CG1-CD2 4.07Å; I169-L174 HydrophobicContact CG1-CG 4.23Å | ||
| 175 | N | 90.8 | Very high | 88.8 | Confident | 80 Ų | 80 | 71.1 Ų | 71.1 | 43% | 0.428 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -108.2 | 110.6 | 174.7 | -175.9 | -10.6 | 0 | 0 | 0 | 108.9 | N177 R178 | N175-N177 PolarHBondContact O-N 3.44Å; N175-N177 VanDerWaalsContact O-N 3.16Å; N175-N177 PolarHBondContact OD1-N 2.97Å; N175-R178 HydrophobicContact CB-CB 4.3Å; N175-R178 CarbonylContact O-C 3.6Å; N175-R178 VanDerWaalsContact O-C 3.24Å; N175-R178 PolarHBondContact O-N 3.44Å |
| 176 | P | 88.7 | Confident | 88.6 | Confident | 38 Ų | 38 | 79.2 Ų | 79.2 | 25% | 0.247 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26.4 | -179.1 | -24.6 | 35.2 | 0 | 0 | 0 | 114 | F77 L85 I169 R178 | F77-P176 HydrophobicContact CE1-CB 4.08Å; F77-P176 HydrophobicContact CE1-CG 4.37Å; F77-P176 HydrophobicContact CZ-CB 4.07Å; F77-P176 HydrophobicContact CZ-CG 3.84Å; L85-P176 HydrophobicContact CD2-CB 4.01Å; L85-P176 HydrophobicContact CD2-CG 4.36Å; I169-P176 HydrophobicContact CD1-CG 3.51Å; I169-P176 HydrophobicContact CG1-CG 3.76Å; I169-P176 HydrophobicContact CG2-CG 4.17Å; P176-R178 VanDerWaalsContact C-N 3.34Å |
| 177 | N | 89.3 | Confident | 88.2 | Confident | 156 Ų | 156 | 82.8 Ų | 82.8 | 83% | 0.834 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -3.9 | -179.3 | -60.1 | -31.4 | 0 | 0 | 0 | 112.9 | N175 | N175-N177 PolarHBondContact O-N 3.44Å; N175-N177 VanDerWaalsContact O-N 3.16Å; N175-N177 PolarHBondContact OD1-N 2.97Å |
| 178 | R | 90 | Very high | 88.1 | Confident | 132 Ų | 132 | 86.8 Ų | 86.8 | 50% | 0.498 | 42% | 0.419 | S | S | . | . | B | Isolated β-bridge | trans | -151.8 | 93.8 | -177.7 | -176.7 | -175 | 167.6 | 141.8 | 13.4 | 109.7 | N175 P176 D180 | N175-R178 HydrophobicContact CB-CB 4.3Å; N175-R178 CarbonylContact O-C 3.6Å; N175-R178 VanDerWaalsContact O-C 3.24Å; N175-R178 PolarHBondContact O-N 3.44Å; P176-R178 VanDerWaalsContact C-N 3.34Å; R178-D180 IonicContact NE-OD1 3.73Å; R178-D180 PolarHBondContact NE-OD1 3.13Å; R178-D180 PolarHBondContact O-N 3.26Å |
| 179 | L | 90.8 | Very high | 87.6 | Confident | 26 Ų | 26 | 91 Ų | 91 | 14% | 0.136 | 44% | 0.441 | C | S | . | . | trans | -81.7 | 115.2 | 173.5 | -51 | -179.1 | 0 | 0 | 0 | 108.5 | E84 L85 E88 S183 | E84-L179 HydrophobicContact CG-CD1 3.52Å; E84-L179 VanDerWaalsContact OE1-CD1 3.3Å; E84-L179 WeakPolarHBondContact OE1-CD1 3.44Å; L85-L179 HydrophobicContact CD2-CD2 3.9Å; E88-L179 HydrophobicContact CB-CD2 4.12Å; E88-L179 HydrophobicContact CG-CB 4.31Å; E88-L179 HydrophobicContact CG-CD2 3.88Å; L179-S183 WeakPolarHBondContact O-CB 3.33Å; L179-S183 PolarHBondContact O-OG 3.49Å | ||
| 180 | D | 89.1 | Confident | 87.3 | Confident | 63 Ų | 63 | 92.4 Ų | 92.4 | 34% | 0.337 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -76.6 | -42.8 | -174.3 | -77.4 | -29.5 | 0 | 0 | 0 | 110.5 | I5 E88 R178 L184 | I5-D180 VanDerWaalsContact CD1-C 3.44Å; I5-D180 HydrophobicContact CD1-CB 3.67Å; I5-D180 WeakPolarHBondContact CD1-O 3.49Å; E88-D180 WeakPolarHBondContact OE1-CA 3.4Å; E88-D180 PolarHBondContact OE1-N 3.1Å; R178-D180 IonicContact NE-OD1 3.73Å; R178-D180 PolarHBondContact NE-OD1 3.13Å; R178-D180 PolarHBondContact O-N 3.26Å; D180-L184 WeakPolarHBondContact O-CG 3.42Å |
| 181 | Y | 91.2 | Very high | 87.2 | Confident | 49 Ų | 49 | 87.9 Ų | 87.9 | 19% | 0.192 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -94.8 | -43.6 | -173.7 | -52.6 | -74.3 | 0 | 0 | 0 | 113.5 | I5 E88 L91 N95 S183 L184 | I5-Y181 HydrophobicContact CD1-CD1 4.42Å; I5-Y181 HydrophobicContact CG1-CE1 4.49Å; E88-Y181 WeakPolarHBondContact OE1-CD2 3.29Å; E88-Y181 PolarHBondContact OE1-N 3.43Å; E88-Y181 PolarHBondContact OE2-N 2.98Å; L91-Y181 HydrophobicContact CB-CD2 3.85Å; L91-Y181 HydrophobicContact CB-CG 3.9Å; N95-Y181 HydrophobicContact CB-CE1 4.48Å; N95-Y181 PolarHBondContact ND2-OH 2.88Å; Y181-S183 PolarHBondContact O-N 3.25Å; Y181-L184 WeakPolarHBondContact O-CB 3.35Å; Y181-L184 PolarHBondContact O-N 3.36Å; Y181-L184 VanDerWaalsContact O-N 3.15Å |
| 182 | S | 88.3 | Confident | 87.1 | Confident | 30 Ų | 30 | 86.4 Ų | 86.4 | 21% | 0.21 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -23.8 | -172.8 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | E88 L184 | E88-S182 VanDerWaalsContact OE2-CB 3.29Å; E88-S182 WeakPolarHBondContact OE2-CB 3.43Å; E88-S182 PolarHBondContact OE2-N 2.82Å; E88-S182 PolarHBondContact OE2-OG 3.45Å; S182-L184 VanDerWaalsContact C-N 3.33Å |
| 183 | S | 87.7 | Confident | 86.9 | Confident | 89 Ų | 89 | 81.9 Ų | 81.9 | 62% | 0.622 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -14.9 | 175.5 | 63.4 | 0 | 0 | 0 | 0 | 114 | L179 Y181 | L179-S183 WeakPolarHBondContact O-CB 3.33Å; L179-S183 PolarHBondContact O-OG 3.49Å; Y181-S183 PolarHBondContact O-N 3.25Å |
| 184 | L | 88.8 | Confident | 87 | Confident | 80 Ų | 80 | 82.3 Ų | 82.3 | 42% | 0.419 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -73.1 | 143.4 | -178.6 | -60.9 | 175.1 | 0 | 0 | 0 | 111.3 | I5 D180 Y181 S182 K186 | I5-L184 HydrophobicContact CD1-CD1 3.89Å; I5-L184 HydrophobicContact CD1-CD2 4.39Å; I5-L184 HydrophobicContact CD1-CG 4.39Å; I5-L184 HydrophobicContact CG1-CD1 4.31Å; D180-L184 WeakPolarHBondContact O-CG 3.42Å; Y181-L184 WeakPolarHBondContact O-CB 3.35Å; Y181-L184 PolarHBondContact O-N 3.36Å; Y181-L184 VanDerWaalsContact O-N 3.15Å; S182-L184 VanDerWaalsContact C-N 3.33Å; L184-K186 PolarHBondContact O-N 3.37Å; L184-K186 VanDerWaalsContact O-N 3.11Å |
| 185 | K | 86.9 | Confident | 86.9 | Confident | 137 Ų | 137 | 86.6 Ų | 86.6 | 60% | 0.596 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 119.1 | 171.3 | -174.3 | -173.5 | 172.5 | -151.6 | 0 | 109.2 | F187 E191 | K185-F187 HydrophobicContact CB-CE2 4.2Å; K185-F187 HydrophobicContact CD-CE1 4.31Å; K185-F187 HydrophobicContact CD-CE2 3.86Å; K185-F187 HydrophobicContact CD-CZ 3.7Å; K185-F187 HydrophobicContact CG-CD2 4.5Å; K185-F187 HydrophobicContact CG-CE2 4.1Å; K185-F187 HydrophobicContact CG-CZ 4.43Å; K185-F187 VanDerWaalsContact NZ-CE1 3.31Å; K185-F187 WeakPolarHBondContact O-CD2 3.5Å; K185-E191 IonicContact NZ-OE1 2.72Å; K185-E191 PolarHBondContact NZ-OE1 3.36Å; K185-E191 IonicContact NZ-OE2 3.05Å |
| 186 | K | 85.3 | Confident | 86.6 | Confident | 172 Ų | 172 | 84.4 Ų | 84.4 | 75% | 0.748 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 123.9 | 173.4 | -63.7 | 177.2 | -175 | 172.5 | 0 | 108.8 | L184 | L184-K186 PolarHBondContact O-N 3.37Å; L184-K186 VanDerWaalsContact O-N 3.11Å |
| 187 | F | 81.5 | Confident | 86.5 | Confident | 111 Ų | 111 | 86.8 Ų | 86.8 | 49% | 0.487 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -100.5 | 134.2 | 168.8 | -71.6 | -95.3 | 0 | 0 | 0 | 108.3 | K185 E191 I192 | K185-F187 HydrophobicContact CB-CE2 4.2Å; K185-F187 HydrophobicContact CD-CE1 4.31Å; K185-F187 HydrophobicContact CD-CE2 3.86Å; K185-F187 HydrophobicContact CD-CZ 3.7Å; K185-F187 HydrophobicContact CG-CD2 4.5Å; K185-F187 HydrophobicContact CG-CE2 4.1Å; K185-F187 HydrophobicContact CG-CZ 4.43Å; K185-F187 VanDerWaalsContact NZ-CE1 3.31Å; K185-F187 WeakPolarHBondContact O-CD2 3.5Å; F187-E191 HydrophobicContact CD1-CB 4.37Å; F187-E191 HydrophobicContact CD1-CG 3.87Å; F187-E191 WeakPolarHBondContact CD1-OE1 3.41Å; F187-E191 WeakPolarHBondContact CD1-OE2 3.45Å; F187-E191 HydrophobicContact CE1-CG 4.34Å; F187-E191 WeakPolarHBondContact CE1-OE1 3.29Å; F187-I192 HydrophobicContact CB-CD1 4.39Å; F187-I192 HydrophobicContact CB-CG1 4.2Å |
| 188 | D | 84.8 | Confident | 86.4 | Confident | 97 Ų | 97 | 82.2 Ų | 82.2 | 52% | 0.519 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 168.3 | 169.3 | 71.5 | 36.1 | 0 | 0 | 0 | 111.1 | A190 E191 I192 | D188-A190 PolarHBondContact O-N 2.92Å; D188-A190 WeakPolarHBondContact OD1-CA 3.49Å; D188-A190 WeakPolarHBondContact OD1-CB 3.39Å; D188-A190 PolarHBondContact OD1-N 2.98Å; D188-E191 PolarHBondContact O-N 2.76Å; D188-E191 PolarHBondContact OD1-N 3.24Å; D188-I192 WeakPolarHBondContact O-CG1 3.34Å; D188-I192 PolarHBondContact O-N 3.45Å |
| 189 | L | 79.5 | Confident | 86.1 | Confident | 91 Ų | 91 | 78.8 Ų | 78.8 | 48% | 0.476 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.6 | -24.1 | 179.9 | -72.5 | 174.1 | 0 | 0 | 0 | 112.8 | Q193 | L189-Q193 VanDerWaalsContact O-CB 3.29Å; L189-Q193 WeakPolarHBondContact O-CB 3.46Å; L189-Q193 PolarHBondContact O-N 3.05Å |
| 190 | A | 85 | Confident | 85.9 | Confident | 70 Ų | 70 | 78.3 Ų | 78.3 | 58% | 0.579 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -74.7 | -43 | -180 | 0 | 0 | 0 | 0 | 0 | 110.7 | D188 I192 Q193 Q194 | D188-A190 PolarHBondContact O-N 2.92Å; D188-A190 WeakPolarHBondContact OD1-CA 3.49Å; D188-A190 WeakPolarHBondContact OD1-CB 3.39Å; D188-A190 PolarHBondContact OD1-N 2.98Å; A190-I192 VanDerWaalsContact C-N 3.33Å; A190-I192 PolarHBondContact O-N 2.84Å; A190-Q193 PolarHBondContact O-N 2.72Å; A190-Q194 WeakPolarHBondContact O-CB 3.3Å; A190-Q194 PolarHBondContact O-N 3.35Å |
| 191 | E | 86 | Confident | 85.7 | Confident | 61 Ų | 61 | 81.2 Ų | 81.2 | 29% | 0.285 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 174.6 | -164.6 | 176.3 | 176.6 | 0 | 0 | 110.3 | K185 F187 D188 Q193 Q194 Q195 | K185-E191 IonicContact NZ-OE1 2.72Å; K185-E191 PolarHBondContact NZ-OE1 3.36Å; K185-E191 IonicContact NZ-OE2 3.05Å; F187-E191 HydrophobicContact CD1-CB 4.37Å; F187-E191 HydrophobicContact CD1-CG 3.87Å; F187-E191 WeakPolarHBondContact CD1-OE1 3.41Å; F187-E191 WeakPolarHBondContact CD1-OE2 3.45Å; F187-E191 HydrophobicContact CE1-CG 4.34Å; F187-E191 WeakPolarHBondContact CE1-OE1 3.29Å; D188-E191 PolarHBondContact O-N 2.76Å; D188-E191 PolarHBondContact OD1-N 3.24Å; E191-Q193 VanDerWaalsContact C-N 3.34Å; E191-Q193 PolarHBondContact O-N 2.85Å; E191-Q194 PolarHBondContact O-N 2.86Å; E191-Q195 WeakPolarHBondContact O-CG 3.43Å; E191-Q195 PolarHBondContact O-N 2.95Å |
| 192 | I | 83.1 | Confident | 85.2 | Confident | 58 Ų | 58 | 85.2 Ų | 85.2 | 30% | 0.297 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 175.1 | -65.1 | 168.9 | 0 | 0 | 0 | 111.3 | F187 D188 A190 Q195 K196 | F187-I192 HydrophobicContact CB-CD1 4.39Å; F187-I192 HydrophobicContact CB-CG1 4.2Å; D188-I192 WeakPolarHBondContact O-CG1 3.34Å; D188-I192 PolarHBondContact O-N 3.45Å; A190-I192 VanDerWaalsContact C-N 3.33Å; A190-I192 PolarHBondContact O-N 2.84Å; I192-Q195 PolarHBondContact O-N 2.96Å; I192-K196 PolarHBondContact O-N 2.82Å; I192-K196 VanDerWaalsContact O-N 3.1Å |
| 193 | Q | 83.8 | Confident | 84.8 | Confident | 85 Ų | 85 | 84.9 Ų | 84.9 | 40% | 0.397 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 178.8 | 179.9 | 57.9 | 32.1 | 0 | 0 | 111.6 | L189 A190 E191 K196 E197 | L189-Q193 VanDerWaalsContact O-CB 3.29Å; L189-Q193 WeakPolarHBondContact O-CB 3.46Å; L189-Q193 PolarHBondContact O-N 3.05Å; A190-Q193 PolarHBondContact O-N 2.72Å; E191-Q193 VanDerWaalsContact C-N 3.34Å; E191-Q193 PolarHBondContact O-N 2.85Å; Q193-K196 WeakPolarHBondContact O-CB 3.47Å; Q193-K196 PolarHBondContact O-N 3.5Å; Q193-E197 PolarHBondContact NE2-OE1 3.13Å; Q193-E197 PolarHBondContact O-N 3.02Å |
| 194 | Q | 87.5 | Confident | 84.5 | Confident | 93 Ų | 93 | 84.9 Ų | 84.9 | 44% | 0.435 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 174.5 | -175.1 | 61.2 | 60.7 | 0 | 0 | 111.6 | A190 E191 K196 E197 N198 | A190-Q194 WeakPolarHBondContact O-CB 3.3Å; A190-Q194 PolarHBondContact O-N 3.35Å; E191-Q194 PolarHBondContact O-N 2.86Å; Q194-K196 VanDerWaalsContact C-N 3.29Å; Q194-K196 PolarHBondContact O-N 2.81Å; Q194-E197 WeakPolarHBondContact O-CB 3.3Å; Q194-E197 PolarHBondContact O-N 3.39Å; Q194-E197 VanDerWaalsContact O-N 3.1Å; Q194-N198 PolarHBondContact NE2-OD1 3.12Å; Q194-N198 PolarHBondContact O-N 3.08Å; Q194-N198 PolarHBondContact O-OD1 2.83Å |
| 195 | Q | 86.5 | Confident | 84 | Confident | 100 Ų | 100 | 85.2 Ų | 85.2 | 47% | 0.467 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 176.9 | -65.1 | -50.4 | -31.1 | 0 | 0 | 112 | E191 I192 E197 N198 M199 | E191-Q195 WeakPolarHBondContact O-CG 3.43Å; E191-Q195 PolarHBondContact O-N 2.95Å; I192-Q195 PolarHBondContact O-N 2.96Å; Q195-E197 VanDerWaalsContact C-N 3.31Å; Q195-E197 PolarHBondContact O-N 3.33Å; Q195-N198 PolarHBondContact O-N 3.21Å; Q195-N198 PolarHBondContact OE1-ND2 3.48Å; Q195-M199 WeakPolarHBondContact O-CG 3.46Å; Q195-M199 PolarHBondContact O-N 2.89Å |
| 196 | K | 85 | Confident | 83.5 | Confident | 35 Ų | 35 | 82.3 Ų | 82.3 | 15% | 0.152 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 172.6 | -177.8 | -174 | 172.5 | -174.9 | 0 | 111.6 | S33 Y37 I192 Q193 Q194 M199 E200 | S33-K196 VanDerWaalsContact OG-CE 3.32Å; S33-K196 WeakPolarHBondContact OG-CE 3.47Å; Y37-K196 HydrophobicContact CE2-CD 4.5Å; I192-K196 PolarHBondContact O-N 2.82Å; I192-K196 VanDerWaalsContact O-N 3.1Å; Q193-K196 WeakPolarHBondContact O-CB 3.47Å; Q193-K196 PolarHBondContact O-N 3.5Å; Q194-K196 VanDerWaalsContact C-N 3.29Å; Q194-K196 PolarHBondContact O-N 2.81Å; K196-M199 WeakPolarHBondContact O-CB 3.32Å; K196-M199 PolarHBondContact O-N 3.44Å; K196-E200 WeakPolarHBondContact O-CG 3.31Å; K196-E200 PolarHBondContact O-N 2.9Å |
| 197 | E | 87.5 | Confident | 82.9 | Confident | 87 Ų | 87 | 77.2 Ų | 77.2 | 41% | 0.407 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 177.1 | -73 | 168 | -162.7 | 0 | 0 | 112.1 | Q193 Q194 Q195 M199 E200 F201 | Q193-E197 PolarHBondContact NE2-OE1 3.13Å; Q193-E197 PolarHBondContact O-N 3.02Å; Q194-E197 WeakPolarHBondContact O-CB 3.3Å; Q194-E197 PolarHBondContact O-N 3.39Å; Q194-E197 VanDerWaalsContact O-N 3.1Å; Q195-E197 VanDerWaalsContact C-N 3.31Å; Q195-E197 PolarHBondContact O-N 3.33Å; E197-M199 VanDerWaalsContact C-N 3.33Å; E197-M199 PolarHBondContact O-N 3.43Å; E197-E200 WeakPolarHBondContact O-CB 3.16Å; E197-E200 PolarHBondContact O-N 3.27Å; E197-F201 PolarHBondContact O-N 3.34Å |
| 198 | N | 87 | Confident | 82.5 | Confident | 61 Ų | 61 | 77.1 Ų | 77.1 | 33% | 0.326 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 174.2 | -63.9 | -14.5 | 0 | 0 | 0 | 111.8 | Q194 Q195 E200 F201 M202 | Q194-N198 PolarHBondContact NE2-OD1 3.12Å; Q194-N198 PolarHBondContact O-N 3.08Å; Q194-N198 PolarHBondContact O-OD1 2.83Å; Q195-N198 PolarHBondContact O-N 3.21Å; Q195-N198 PolarHBondContact OE1-ND2 3.48Å; N198-E200 VanDerWaalsContact C-N 3.29Å; N198-E200 PolarHBondContact O-N 2.99Å; N198-F201 WeakPolarHBondContact O-CB 3.38Å; N198-F201 PolarHBondContact O-N 3.48Å; N198-M202 WeakPolarHBondContact O-CG 3.32Å; N198-M202 PolarHBondContact O-N 2.99Å |
| 199 | M | 83.5 | Confident | 81.7 | Confident | 59 Ų | 59 | 79.4 Ų | 79.4 | 29% | 0.291 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 175.8 | -69.5 | 173 | 66.1 | 0 | 0 | 112.2 | F32 V36 Q195 K196 E197 M202 D203 | F32-M199 HydrophobicContact CD1-CB 4.11Å; F32-M199 HydrophobicContact CD1-CE 4.1Å; F32-M199 HydrophobicContact CE1-CB 4.41Å; F32-M199 HydrophobicContact CE1-CE 3.93Å; V36-M199 HydrophobicContact CB-CE 3.73Å; V36-M199 HydrophobicContact CG1-CE 3.69Å; V36-M199 HydrophobicContact CG2-CE 3.63Å; Q195-M199 WeakPolarHBondContact O-CG 3.46Å; Q195-M199 PolarHBondContact O-N 2.89Å; K196-M199 WeakPolarHBondContact O-CB 3.32Å; K196-M199 PolarHBondContact O-N 3.44Å; E197-M199 VanDerWaalsContact C-N 3.33Å; E197-M199 PolarHBondContact O-N 3.43Å; M199-M202 PolarHBondContact O-N 3.4Å; M199-D203 PolarHBondContact O-N 3.48Å; M199-D203 VanDerWaalsContact O-N 3.16Å |
| 200 | E | 85.1 | Confident | 81.2 | Confident | 16 Ų | 16 | 80.6 Ų | 80.6 | 8% | 0.075 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -72.1 | -36.3 | 179.9 | -61.9 | -82.2 | 151.2 | 0 | 0 | 111.4 | R31 F32 S33 K196 E197 N198 D203 N204 | R31-E200 WeakPolarHBondContact CB-OE1 3.35Å; R31-E200 WeakPolarHBondContact CB-OE2 3.29Å; R31-E200 IonicContact CZ-OE2 2.76Å; R31-E200 VanDerWaalsContact NE-CD 3.31Å; R31-E200 IonicContact NE-OE1 3.33Å; R31-E200 IonicContact NE-OE2 3.35Å; R31-E200 PolarHBondContact NE-OE2 3.15Å; R31-E200 VanDerWaalsContact NH2-CG 3.28Å; R31-E200 IonicContact NH2-OE2 3.24Å; R31-E200 PolarHBondContact NH2-OE2 2.92Å; R31-E200 VanDerWaalsContact NH2-OE2 3.08Å; F32-E200 PolarHBondContact N-OE1 3.32Å; S33-E200 WeakPolarHBondContact CA-OE1 3.5Å; S33-E200 WeakPolarHBondContact CB-OE1 3.4Å; S33-E200 PolarHBondContact N-OE1 3.49Å; S33-E200 PolarHBondContact OG-OE1 2.9Å; K196-E200 WeakPolarHBondContact O-CG 3.31Å; K196-E200 PolarHBondContact O-N 2.9Å; E197-E200 WeakPolarHBondContact O-CB 3.16Å; E197-E200 PolarHBondContact O-N 3.27Å; N198-E200 VanDerWaalsContact C-N 3.29Å; N198-E200 PolarHBondContact O-N 2.99Å; E200-D203 PolarHBondContact O-N 2.91Å; E200-N204 PolarHBondContact O-N 3.45Å; E200-N204 VanDerWaalsContact O-N 3.1Å; E200-N204 PolarHBondContact O-ND2 3.42Å |
| 201 | F | 86 | Confident | 80.6 | Confident | 125 Ų | 125 | 81.5 Ų | 81.5 | 55% | 0.548 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 172.2 | 175.3 | -97.7 | 0 | 0 | 0 | 111.6 | E197 N198 D203 N204 Q205 | E197-F201 PolarHBondContact O-N 3.34Å; N198-F201 WeakPolarHBondContact O-CB 3.38Å; N198-F201 PolarHBondContact O-N 3.48Å; F201-D203 VanDerWaalsContact C-N 3.34Å; F201-D203 PolarHBondContact O-N 2.91Å; F201-N204 PolarHBondContact O-N 3.19Å; F201-Q205 HydrophobicContact CD1-CG 4.39Å; F201-Q205 HydrophobicContact CE1-CG 3.91Å; F201-Q205 HydrophobicContact CZ-CG 3.98Å; F201-Q205 WeakPolarHBondContact O-CG 3.44Å; F201-Q205 PolarHBondContact O-N 3.13Å; F201-Q205 VanDerWaalsContact O-N 3.11Å |
| 202 | M | 80.6 | Confident | 80 | Confident | 132 Ų | 132 | 83.2 Ų | 83.2 | 65% | 0.65 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.9 | -40.8 | 177.5 | -72.7 | -177.2 | 66.7 | 0 | 0 | 112.7 | N198 M199 Q205 T206 | N198-M202 WeakPolarHBondContact O-CG 3.32Å; N198-M202 PolarHBondContact O-N 2.99Å; M199-M202 PolarHBondContact O-N 3.4Å; M202-Q205 PolarHBondContact O-N 3.29Å; M202-T206 PolarHBondContact O-N 2.77Å; M202-T206 PolarHBondContact O-OG1 3.44Å |
| 203 | D | 80.2 | Confident | 79.8 | Confident | 24 Ų | 24 | 84.3 Ų | 84.3 | 13% | 0.128 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 174.9 | -174.9 | 54.5 | 0 | 0 | 0 | 111.4 | F26 F32 M199 E200 F201 Q205 T206 | F26-D203 WeakPolarHBondContact CE1-OD1 3.41Å; F32-D203 HydrophobicContact CB-CB 3.6Å; F32-D203 HydrophobicContact CD1-CB 4.4Å; F32-D203 HydrophobicContact CD2-CB 4.46Å; F32-D203 HydrophobicContact CG-CB 3.93Å; M199-D203 PolarHBondContact O-N 3.48Å; M199-D203 VanDerWaalsContact O-N 3.16Å; E200-D203 PolarHBondContact O-N 2.91Å; F201-D203 VanDerWaalsContact C-N 3.34Å; F201-D203 PolarHBondContact O-N 2.91Å; D203-Q205 PolarHBondContact O-N 3.3Å; D203-T206 WeakPolarHBondContact O-CA 3.38Å; D203-T206 VanDerWaalsContact O-CB 3.24Å; D203-T206 WeakPolarHBondContact O-CB 3.34Å; D203-T206 PolarHBondContact O-N 2.92Å |
| 204 | N | 81.2 | Confident | 79.3 | Confident | 89 Ų | 89 | 88.6 Ų | 88.6 | 48% | 0.476 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.7 | -33.3 | 176.6 | -70.2 | -32.6 | 0 | 0 | 0 | 113.1 | E200 F201 T206 L207 | E200-N204 PolarHBondContact O-N 3.45Å; E200-N204 VanDerWaalsContact O-N 3.1Å; E200-N204 PolarHBondContact O-ND2 3.42Å; F201-N204 PolarHBondContact O-N 3.19Å; N204-T206 PolarHBondContact O-N 3.41Å; N204-L207 WeakPolarHBondContact O-CB 3.32Å; N204-L207 PolarHBondContact O-N 2.88Å |
| 205 | Q | 79.1 | Confident | 78.7 | Confident | 87 Ų | 87 | 93.7 Ų | 93.7 | 41% | 0.407 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.1 | -25.2 | 174.5 | -64.3 | -54.7 | -61.3 | 0 | 0 | 112.4 | F201 M202 D203 L207 L208 | F201-Q205 HydrophobicContact CD1-CG 4.39Å; F201-Q205 HydrophobicContact CE1-CG 3.91Å; F201-Q205 HydrophobicContact CZ-CG 3.98Å; F201-Q205 WeakPolarHBondContact O-CG 3.44Å; F201-Q205 PolarHBondContact O-N 3.13Å; F201-Q205 VanDerWaalsContact O-N 3.11Å; M202-Q205 PolarHBondContact O-N 3.29Å; D203-Q205 PolarHBondContact O-N 3.3Å; Q205-L207 VanDerWaalsContact C-N 3.28Å; Q205-L207 PolarHBondContact O-N 3.45Å; Q205-L208 WeakPolarHBondContact O-CB 3.41Å; Q205-L208 PolarHBondContact O-N 2.94Å |
| 206 | T | 74.4 | Confident | 78.1 | Confident | 76 Ų | 76 | 97.8 Ų | 97.8 | 47% | 0.466 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.1 | -28.8 | 178.5 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | M202 D203 N204 L208 F209 | M202-T206 PolarHBondContact O-N 2.77Å; M202-T206 PolarHBondContact O-OG1 3.44Å; D203-T206 WeakPolarHBondContact O-CA 3.38Å; D203-T206 VanDerWaalsContact O-CB 3.24Å; D203-T206 WeakPolarHBondContact O-CB 3.34Å; D203-T206 PolarHBondContact O-N 2.92Å; N204-T206 PolarHBondContact O-N 3.41Å; T206-L208 PolarHBondContact O-N 3.47Å; T206-L208 VanDerWaalsContact O-N 3.14Å; T206-F209 WeakPolarHBondContact O-CB 3.5Å; T206-F209 PolarHBondContact O-N 3.31Å |
| 207 | L | 73.1 | Confident | 77.8 | Confident | 64 Ų | 64 | 99.9 Ų | 99.9 | 34% | 0.335 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -24 | 175.4 | -59 | 176.8 | 0 | 0 | 0 | 113.1 | N204 Q205 F209 E210 | N204-L207 WeakPolarHBondContact O-CB 3.32Å; N204-L207 PolarHBondContact O-N 2.88Å; Q205-L207 VanDerWaalsContact C-N 3.28Å; Q205-L207 PolarHBondContact O-N 3.45Å; L207-F209 PolarHBondContact O-N 3Å; L207-E210 WeakPolarHBondContact O-CB 3.31Å; L207-E210 PolarHBondContact O-N 2.82Å; L207-E210 VanDerWaalsContact O-N 3.16Å |
| 208 | L | 72.8 | Confident | 77.6 | Confident | 110 Ų | 110 | 102 Ų | 102 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.5 | -32.6 | 173.6 | -65.9 | 173.2 | 0 | 0 | 0 | 111.8 | Q205 T206 E210 A211 | Q205-L208 WeakPolarHBondContact O-CB 3.41Å; Q205-L208 PolarHBondContact O-N 2.94Å; T206-L208 PolarHBondContact O-N 3.47Å; T206-L208 VanDerWaalsContact O-N 3.14Å; L208-E210 VanDerWaalsContact C-N 3.34Å; L208-A211 PolarHBondContact O-N 3.23Å |
| 209 | F | 68.2 | Low | 77.5 | Confident | 145 Ų | 145 | 104.2 Ų | 104.2 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -72.8 | -26.4 | 177.8 | -67.6 | -85.7 | 0 | 0 | 0 | 112.6 | T206 L207 A211 L212 | T206-F209 WeakPolarHBondContact O-CB 3.5Å; T206-F209 PolarHBondContact O-N 3.31Å; L207-F209 PolarHBondContact O-N 3Å; F209-A211 VanDerWaalsContact C-N 3.27Å; F209-A211 PolarHBondContact O-N 3.28Å; F209-L212 HydrophobicContact CB-CD1 4.34Å; F209-L212 HydrophobicContact CD1-CD1 3.55Å; F209-L212 HydrophobicContact CE1-CD1 4.26Å; F209-L212 HydrophobicContact CG-CD1 4.28Å; F209-L212 WeakPolarHBondContact O-CB 3.48Å; F209-L212 PolarHBondContact O-N 2.96Å |
| 210 | E | 69.3 | Low | 77.6 | Confident | 116 Ų | 116 | 105.3 Ų | 105.3 | 54% | 0.542 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.5 | -28.4 | 174.7 | -64 | -174.2 | 173 | 0 | 0 | 112.2 | Q28 L207 L208 L212 | Q28-E210 PolarHBondContact NE2-OE1 2.94Å; L207-E210 WeakPolarHBondContact O-CB 3.31Å; L207-E210 PolarHBondContact O-N 2.82Å; L207-E210 VanDerWaalsContact O-N 3.16Å; L208-E210 VanDerWaalsContact C-N 3.34Å; E210-L212 VanDerWaalsContact C-N 3.29Å |
| 211 | A | 73.6 | Confident | 77.6 | Confident | 88 Ų | 88 | 107.7 Ų | 107.7 | 73% | 0.727 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -10 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L208 F209 | L208-A211 PolarHBondContact O-N 3.23Å; F209-A211 VanDerWaalsContact C-N 3.27Å; F209-A211 PolarHBondContact O-N 3.28Å |
| 212 | L | 72.5 | Confident | 77.6 | Confident | 98 Ų | 98 | 106.1 Ų | 106.1 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -71.8 | 138.2 | 176.1 | -62.5 | 176 | 0 | 0 | 0 | 109.9 | F209 E210 H214 | F209-L212 HydrophobicContact CB-CD1 4.34Å; F209-L212 HydrophobicContact CD1-CD1 3.55Å; F209-L212 HydrophobicContact CE1-CD1 4.26Å; F209-L212 HydrophobicContact CG-CD1 4.28Å; F209-L212 WeakPolarHBondContact O-CB 3.48Å; F209-L212 PolarHBondContact O-N 2.96Å; E210-L212 VanDerWaalsContact C-N 3.29Å; L212-H214 PolarHBondContact O-N 3.23Å |
| 213 | S | 79 | Confident | 78 | Confident | 81 Ų | 81 | 105.2 Ų | 105.2 | 57% | 0.566 | 56% | 0.559 | S | S | * | * | trans | -54.4 | 132 | 176.4 | -53.1 | 0 | 0 | 0 | 0 | 110.7 | Y215 | S213-Y215 WeakPolarHBondContact O-CD2 3.18Å; S213-Y215 WeakPolarHBondContact O-CE2 3.49Å; S213-Y215 PolarHBondContact O-N 3.14Å | ||
| 214 | H | 74.4 | Confident | 78.5 | Confident | 175 Ų | 175 | 108.4 Ų | 108.4 | 81% | 0.81 | 57% | 0.572 | S | S | * | * | trans | -73.4 | 93.8 | 173.1 | -55.7 | -36.1 | 0 | 0 | 0 | 108.7 | L212 | L212-H214 PolarHBondContact O-N 3.23Š| ||
| 215 | Y | 73.2 | Confident | 78.9 | Confident | 200 Ų | 200 | 108.6 Ų | 108.6 | 78% | 0.784 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 126.2 | 174.3 | -64.3 | -82.8 | 0 | 0 | 0 | 109.4 | S213 | S213-Y215 WeakPolarHBondContact O-CD2 3.18Å; S213-Y215 WeakPolarHBondContact O-CE2 3.49Å; S213-Y215 PolarHBondContact O-N 3.14Å |
| 216 | Q | 74.8 | Confident | 79.4 | Confident | 185 Ų | 185 | 106.8 Ų | 106.8 | 86% | 0.864 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 139.9 | 167.9 | -171.4 | 175.6 | -0.8 | 0 | 0 | 108.9 | S218 | Q216-S218 PolarHBondContact O-N 3.16Š|
| 217 | S | 77.6 | Confident | 80.3 | Confident | 79 Ų | 79 | 108.2 Ų | 108.2 | 55% | 0.552 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 138.4 | 170.9 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | F219 | S217-F219 PolarHBondContact O-N 3.16Å; S217-F219 WeakPolarHBondContact OG-CB 3.36Å; S217-F219 PolarHBondContact OG-N 3.18Å |
| 218 | S | 83.6 | Confident | 81.1 | Confident | 133 Ų | 133 | 108.6 Ų | 108.6 | 93% | 0.93 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -67.9 | -17.3 | 170.6 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | Q216 | Q216-S218 PolarHBondContact O-N 3.16Š|
| 219 | F | 85.2 | Confident | 81.8 | Confident | 106 Ų | 106 | 108.6 Ų | 108.6 | 47% | 0.465 | 57% | 0.572 | S | S | . | * | trans | -76.4 | 125.6 | 170.1 | -176.8 | -114.3 | 0 | 0 | 0 | 109 | S217 P221 F224 | S217-F219 PolarHBondContact O-N 3.16Å; S217-F219 WeakPolarHBondContact OG-CB 3.36Å; S217-F219 PolarHBondContact OG-N 3.18Å; F219-P221 HydrophobicContact CD1-CB 4.47Å; F219-P221 HydrophobicContact CD1-CG 3.9Å; F219-P221 HydrophobicContact CE1-CB 4.09Å; F219-P221 HydrophobicContact CE1-CG 4Å; F219-P221 VanDerWaalsContact O-CD 3.26Å; F219-P221 WeakPolarHBondContact O-CD 3.49Å; F219-F224 HydrophobicContact CE2-CB 3.67Å; F219-F224 HydrophobicContact CE2-CD1 4.41Å; F219-F224 AromaticContact CE2-CD2 3.91Å; F219-F224 HydrophobicContact CE2-CD2 3.91Å; F219-F224 AromaticContact CE2-CG 3.73Å; F219-F224 HydrophobicContact CE2-CG 3.73Å; F219-F224 HydrophobicContact CZ-CB 3.58Å; F219-F224 AromaticContact CZ-CD1 3.73Å; F219-F224 HydrophobicContact CZ-CD1 3.73Å; F219-F224 HydrophobicContact CZ-CD2 4.04Å; F219-F224 HydrophobicContact CZ-CE1 4.43Å; F219-F224 AromaticContact CZ-CG 3.49Å; F219-F224 HydrophobicContact CZ-CG 3.49Å; F219-F224 VanDerWaalsContact CZ-CG 3.49Å | ||
| 220 | D | 86.1 | Confident | 82.8 | Confident | 83 Ų | 83 | 108.8 Ų | 108.8 | 44% | 0.444 | 58% | 0.575 | S | S | . | * | trans | -102.5 | 94.1 | 176.8 | -179.6 | -12.6 | 0 | 0 | 0 | 108.1 | P222 K223 F224 | D220-P222 WeakPolarHBondContact OD1-CD 3.49Å; D220-K223 HydrophobicContact CB-CB 3.91Å; D220-K223 VanDerWaalsContact CG-CB 3.44Å; D220-K223 PolarHBondContact O-N 3.43Å; D220-K223 PolarHBondContact OD1-N 2.63Å; D220-K223 VanDerWaalsContact OD1-N 3.16Å; D220-K223 WeakPolarHBondContact OD2-CB 3.4Å; D220-F224 PolarHBondContact O-N 2.83Å | ||
| 221 | P | 85 | Confident | 83.8 | Confident | 65 Ų | 65 | 104.5 Ų | 104.5 | 42% | 0.422 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.6 | -41.3 | -176.1 | -17.4 | 28.8 | 0 | 0 | 0 | 113.3 | F219 K223 F224 L225 | F219-P221 HydrophobicContact CD1-CB 4.47Å; F219-P221 HydrophobicContact CD1-CG 3.9Å; F219-P221 HydrophobicContact CE1-CB 4.09Å; F219-P221 HydrophobicContact CE1-CG 4Å; F219-P221 VanDerWaalsContact O-CD 3.26Å; F219-P221 WeakPolarHBondContact O-CD 3.49Å; P221-K223 VanDerWaalsContact C-N 3.34Å; P221-K223 PolarHBondContact O-N 2.66Å; P221-F224 PolarHBondContact O-N 3.34Å; P221-L225 WeakPolarHBondContact O-CB 3.24Å; P221-L225 VanDerWaalsContact O-CG 3.27Å; P221-L225 WeakPolarHBondContact O-CG 3.4Å; P221-L225 PolarHBondContact O-N 2.94Å |
| 222 | P | 86.9 | Confident | 84.6 | Confident | 92 Ų | 92 | 107.9 Ų | 107.9 | 60% | 0.597 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -52.7 | -48.8 | 171.5 | -28.8 | 33.8 | 0 | 0 | 0 | 113.2 | D220 L225 S226 | D220-P222 WeakPolarHBondContact OD1-CD 3.49Å; P222-L225 PolarHBondContact O-N 3.15Å; P222-S226 PolarHBondContact O-N 3.06Å; P222-S226 PolarHBondContact O-OG 3.06Å |
| 223 | K | 88.6 | Confident | 85.4 | Confident | 113 Ų | 113 | 109.5 Ų | 109.5 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.4 | -46.8 | 178.4 | -178.2 | 176.9 | 171 | 179.7 | 0 | 112.1 | D220 P221 L225 S226 E227 | D220-K223 HydrophobicContact CB-CB 3.91Å; D220-K223 VanDerWaalsContact CG-CB 3.44Å; D220-K223 PolarHBondContact O-N 3.43Å; D220-K223 PolarHBondContact OD1-N 2.63Å; D220-K223 VanDerWaalsContact OD1-N 3.16Å; D220-K223 WeakPolarHBondContact OD2-CB 3.4Å; P221-K223 VanDerWaalsContact C-N 3.34Å; P221-K223 PolarHBondContact O-N 2.66Å; K223-L225 VanDerWaalsContact C-N 3.31Å; K223-L225 PolarHBondContact O-N 3.21Å; K223-S226 VanDerWaalsContact CA-OG 3.31Å; K223-S226 WeakPolarHBondContact CA-OG 3.46Å; K223-S226 PolarHBondContact O-N 3.41Å; K223-S226 PolarHBondContact O-OG 3.15Å; K223-E227 WeakPolarHBondContact CE-OE1 3.37Å; K223-E227 HydrophobicContact CG-CG 4.44Å; K223-E227 IonicContact NZ-OE1 3.93Å; K223-E227 WeakPolarHBondContact O-CG 3.14Å; K223-E227 PolarHBondContact O-N 2.8Å |
| 224 | F | 90.3 | Very high | 85.7 | Confident | 92 Ų | 92 | 107.8 Ų | 107.8 | 40% | 0.404 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.3 | -43.7 | 176.3 | 170.7 | -97.8 | 0 | 0 | 0 | 111.8 | F219 D220 P221 E227 L228 | F219-F224 HydrophobicContact CE2-CB 3.67Å; F219-F224 HydrophobicContact CE2-CD1 4.41Å; F219-F224 AromaticContact CE2-CD2 3.91Å; F219-F224 HydrophobicContact CE2-CD2 3.91Å; F219-F224 AromaticContact CE2-CG 3.73Å; F219-F224 HydrophobicContact CE2-CG 3.73Å; F219-F224 HydrophobicContact CZ-CB 3.58Å; F219-F224 AromaticContact CZ-CD1 3.73Å; F219-F224 HydrophobicContact CZ-CD1 3.73Å; F219-F224 HydrophobicContact CZ-CD2 4.04Å; F219-F224 HydrophobicContact CZ-CE1 4.43Å; F219-F224 AromaticContact CZ-CG 3.49Å; F219-F224 HydrophobicContact CZ-CG 3.49Å; F219-F224 VanDerWaalsContact CZ-CG 3.49Å; D220-F224 PolarHBondContact O-N 2.83Å; P221-F224 PolarHBondContact O-N 3.34Å; F224-E227 PolarHBondContact O-N 2.75Å; F224-L228 HydrophobicContact CE1-CD2 4.12Å; F224-L228 HydrophobicContact CZ-CD2 4.32Å; F224-L228 VanDerWaalsContact O-CB 3.26Å; F224-L228 WeakPolarHBondContact O-CB 3.4Å; F224-L228 PolarHBondContact O-N 3.06Å |
| 225 | L | 89 | Confident | 86.2 | Confident | 93 Ų | 93 | 103 Ų | 103 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -42 | 177.4 | -74.2 | 171.3 | 0 | 0 | 0 | 111.4 | P221 P222 K223 L228 L229 | P221-L225 WeakPolarHBondContact O-CB 3.24Å; P221-L225 VanDerWaalsContact O-CG 3.27Å; P221-L225 WeakPolarHBondContact O-CG 3.4Å; P221-L225 PolarHBondContact O-N 2.94Å; P222-L225 PolarHBondContact O-N 3.15Å; K223-L225 VanDerWaalsContact C-N 3.31Å; K223-L225 PolarHBondContact O-N 3.21Å; L225-L228 PolarHBondContact O-N 2.63Å; L225-L229 VanDerWaalsContact O-CB 3.31Å; L225-L229 WeakPolarHBondContact O-CB 3.49Å; L225-L229 WeakPolarHBondContact O-CG 3.39Å; L225-L229 PolarHBondContact O-N 3.4Å |
| 226 | S | 89.5 | Confident | 86.8 | Confident | 48 Ų | 48 | 99.1 Ų | 99.1 | 34% | 0.336 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 174.2 | 47.7 | 0 | 0 | 0 | 0 | 112.3 | P222 K223 L228 L229 E230 | P222-S226 PolarHBondContact O-N 3.06Å; P222-S226 PolarHBondContact O-OG 3.06Å; K223-S226 VanDerWaalsContact CA-OG 3.31Å; K223-S226 WeakPolarHBondContact CA-OG 3.46Å; K223-S226 PolarHBondContact O-N 3.41Å; K223-S226 PolarHBondContact O-OG 3.15Å; S226-L228 VanDerWaalsContact C-N 3.32Å; S226-L228 PolarHBondContact O-N 2.91Å; S226-L229 PolarHBondContact O-N 3.39Å; S226-E230 WeakPolarHBondContact O-CB 2.93Å; S226-E230 VanDerWaalsContact O-CG 3.31Å; S226-E230 WeakPolarHBondContact O-CG 3.41Å; S226-E230 PolarHBondContact O-N 3.17Å |
| 227 | E | 93.5 | Very high | 87.2 | Confident | 107 Ų | 107 | 95 Ų | 95 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -37 | 178.5 | -72.1 | 176.5 | 171.3 | 0 | 0 | 111.9 | K223 F224 S231 | K223-E227 WeakPolarHBondContact CE-OE1 3.37Å; K223-E227 HydrophobicContact CG-CG 4.44Å; K223-E227 IonicContact NZ-OE1 3.93Å; K223-E227 WeakPolarHBondContact O-CG 3.14Å; K223-E227 PolarHBondContact O-N 2.8Å; F224-E227 PolarHBondContact O-N 2.75Å; E227-S231 WeakPolarHBondContact O-CB 3.28Å; E227-S231 PolarHBondContact O-N 3.08Å |
| 228 | L | 89.7 | Confident | 87.4 | Confident | 71 Ų | 71 | 95.9 Ų | 95.9 | 37% | 0.372 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.1 | -46.2 | 175 | -177 | 66.6 | 0 | 0 | 0 | 111.3 | F224 L225 S226 E230 S231 L234 | F224-L228 HydrophobicContact CE1-CD2 4.12Å; F224-L228 HydrophobicContact CZ-CD2 4.32Å; F224-L228 VanDerWaalsContact O-CB 3.26Å; F224-L228 WeakPolarHBondContact O-CB 3.4Å; F224-L228 PolarHBondContact O-N 3.06Å; L225-L228 PolarHBondContact O-N 2.63Å; S226-L228 VanDerWaalsContact C-N 3.32Å; S226-L228 PolarHBondContact O-N 2.91Å; L228-E230 VanDerWaalsContact C-N 3.27Å; L228-E230 PolarHBondContact O-N 3.46Å; L228-S231 VanDerWaalsContact O-CB 3.32Å; L228-S231 WeakPolarHBondContact O-CB 3.35Å; L228-S231 PolarHBondContact O-N 2.75Å; L228-S231 VanDerWaalsContact O-N 3.14Å; L228-S231 PolarHBondContact O-OG 2.88Å; L228-L234 HydrophobicContact CG-CD2 4.49Å; L228-L234 WeakPolarHBondContact O-CB 3.17Å; L228-L234 WeakPolarHBondContact O-CD2 3.48Å |
| 229 | L | 87.4 | Confident | 86.9 | Confident | 110 Ų | 110 | 96.5 Ų | 96.5 | 58% | 0.576 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.4 | -31.9 | 178.4 | -72.5 | 171.4 | 0 | 0 | 0 | 112.6 | L225 S226 L234 | L225-L229 VanDerWaalsContact O-CB 3.31Å; L225-L229 WeakPolarHBondContact O-CB 3.49Å; L225-L229 WeakPolarHBondContact O-CG 3.39Å; L225-L229 PolarHBondContact O-N 3.4Å; S226-L229 PolarHBondContact O-N 3.39Å; L229-L234 HydrophobicContact CD2-CD2 3.92Å |
| 230 | E | 90.3 | Very high | 85.9 | Confident | 150 Ų | 150 | 97.2 Ų | 97.2 | 70% | 0.701 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -6.6 | 175.9 | -67.9 | 176.8 | -173.7 | 0 | 0 | 113.4 | S226 L228 | S226-E230 WeakPolarHBondContact O-CB 2.93Å; S226-E230 VanDerWaalsContact O-CG 3.31Å; S226-E230 WeakPolarHBondContact O-CG 3.41Å; S226-E230 PolarHBondContact O-N 3.17Å; L228-E230 VanDerWaalsContact C-N 3.27Å; L228-E230 PolarHBondContact O-N 3.46Å |
| 231 | S | 90.6 | Very high | 84.6 | Confident | 25 Ų | 25 | 99 Ų | 99 | 18% | 0.175 | 50% | 0.496 | C | S | . | . | trans | -66.4 | 138.9 | -177.3 | 73.8 | 0 | 0 | 0 | 0 | 111.4 | E227 L228 Q233 L234 L235 | E227-S231 WeakPolarHBondContact O-CB 3.28Å; E227-S231 PolarHBondContact O-N 3.08Å; L228-S231 VanDerWaalsContact O-CB 3.32Å; L228-S231 WeakPolarHBondContact O-CB 3.35Å; L228-S231 PolarHBondContact O-N 2.75Å; L228-S231 VanDerWaalsContact O-N 3.14Å; L228-S231 PolarHBondContact O-OG 2.88Å; S231-Q233 PolarHBondContact O-N 3.21Å; S231-L234 PolarHBondContact O-N 2.57Å; S231-L234 WeakPolarHBondContact OG-CB 2.78Å; S231-L234 PolarHBondContact OG-N 3.26Å; S231-L235 WeakPolarHBondContact O-CG 3.35Å; S231-L235 PolarHBondContact O-N 3.01Å | ||
| 232 | K | 88.8 | Confident | 83.3 | Confident | 160 Ų | 160 | 99.2 Ų | 99.2 | 70% | 0.696 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.8 | -39.6 | 178.1 | -72.4 | -172.7 | 178.2 | -176.6 | 0 | 111.9 | L234 L235 E236 | K232-L234 PolarHBondContact O-N 2.89Å; K232-L235 PolarHBondContact O-N 3.44Å; K232-E236 WeakPolarHBondContact O-CB 3.46Å; K232-E236 WeakPolarHBondContact O-CG 3.08Å; K232-E236 PolarHBondContact O-N 3.32Å |
| 233 | Q | 89.4 | Confident | 81.8 | Confident | 131 Ų | 131 | 99.8 Ų | 99.8 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.3 | -44.8 | -179.8 | -62.5 | 87.9 | -15 | 0 | 0 | 111.6 | S231 E236 L237 | S231-Q233 PolarHBondContact O-N 3.21Å; Q233-E236 PolarHBondContact O-N 3.33Å; Q233-L237 WeakPolarHBondContact O-CG 3.35Å; Q233-L237 PolarHBondContact O-N 3.45Å; Q233-L237 VanDerWaalsContact O-N 3.07Å |
| 234 | L | 85 | Confident | 80.1 | Confident | 45 Ų | 45 | 103.7 Ų | 103.7 | 24% | 0.236 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 177.6 | -166.2 | 78.6 | 0 | 0 | 0 | 111.2 | L228 L229 S231 K232 E236 L237 I238 | L228-L234 HydrophobicContact CG-CD2 4.49Å; L228-L234 WeakPolarHBondContact O-CB 3.17Å; L228-L234 WeakPolarHBondContact O-CD2 3.48Å; L229-L234 HydrophobicContact CD2-CD2 3.92Å; S231-L234 PolarHBondContact O-N 2.57Å; S231-L234 WeakPolarHBondContact OG-CB 2.78Å; S231-L234 PolarHBondContact OG-N 3.26Å; K232-L234 PolarHBondContact O-N 2.89Å; L234-E236 VanDerWaalsContact C-N 3.27Å; L234-E236 PolarHBondContact O-N 2.79Å; L234-L237 PolarHBondContact O-N 3.32Å; L234-I238 HydrophobicContact CD2-CD1 4.14Å; L234-I238 HydrophobicContact CG-CD1 3.97Å; L234-I238 HydrophobicContact CG-CG1 4.49Å; L234-I238 VanDerWaalsContact O-CG1 3.26Å; L234-I238 WeakPolarHBondContact O-CG1 3.43Å; L234-I238 PolarHBondContact O-N 3.34Å |
| 235 | L | 86 | Confident | 78.1 | Confident | 75 Ų | 75 | 106.3 Ų | 106.3 | 39% | 0.393 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.1 | -31.7 | 176.9 | -70.5 | 171.5 | 0 | 0 | 0 | 112.7 | S231 K232 K239 | S231-L235 WeakPolarHBondContact O-CG 3.35Å; S231-L235 PolarHBondContact O-N 3.01Å; K232-L235 PolarHBondContact O-N 3.44Å; L235-K239 WeakPolarHBondContact O-CB 3.49Å; L235-K239 WeakPolarHBondContact O-CD 3.19Å; L235-K239 WeakPolarHBondContact O-CG 2.84Å; L235-K239 PolarHBondContact O-N 3.19Å |
| 236 | E | 86.5 | Confident | 75.9 | Confident | 119 Ų | 119 | 113 Ų | 113 | 56% | 0.556 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.6 | -45.7 | 173.1 | -78.9 | 171 | -174.6 | 0 | 0 | 111.2 | K232 Q233 L234 I238 K239 E240 | K232-E236 WeakPolarHBondContact O-CB 3.46Å; K232-E236 WeakPolarHBondContact O-CG 3.08Å; K232-E236 PolarHBondContact O-N 3.32Å; Q233-E236 PolarHBondContact O-N 3.33Å; L234-E236 VanDerWaalsContact C-N 3.27Å; L234-E236 PolarHBondContact O-N 2.79Å; E236-I238 PolarHBondContact O-N 2.91Å; E236-K239 CarbonylContact O-C 3.24Å; E236-K239 WeakPolarHBondContact O-CB 3.39Å; E236-K239 PolarHBondContact O-N 3.08Å; E236-E240 PolarHBondContact O-N 2.84Å |
| 237 | L | 81.6 | Confident | 75.3 | Confident | 98 Ų | 98 | 116.3 Ų | 116.3 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -58.3 | -45.5 | 174.5 | -77.7 | 163.2 | 0 | 0 | 0 | 112.3 | Q233 L234 K239 E240 D241 | Q233-L237 WeakPolarHBondContact O-CG 3.35Å; Q233-L237 PolarHBondContact O-N 3.45Å; Q233-L237 VanDerWaalsContact O-N 3.07Å; L234-L237 PolarHBondContact O-N 3.32Å; L237-K239 PolarHBondContact O-N 3.14Å; L237-E240 PolarHBondContact O-N 3.34Å; L237-D241 PolarHBondContact O-N 2.9Å; L237-D241 VanDerWaalsContact O-N 3.08Å |
| 238 | I | 81.5 | Confident | 74.3 | Confident | 98 Ų | 98 | 116.7 Ų | 116.7 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.5 | -32.1 | 177 | -66.8 | 166.2 | 0 | 0 | 0 | 111.2 | L234 E236 A242 | L234-I238 HydrophobicContact CD2-CD1 4.14Å; L234-I238 HydrophobicContact CG-CD1 3.97Å; L234-I238 HydrophobicContact CG-CG1 4.49Å; L234-I238 VanDerWaalsContact O-CG1 3.26Å; L234-I238 WeakPolarHBondContact O-CG1 3.43Å; L234-I238 PolarHBondContact O-N 3.34Å; E236-I238 PolarHBondContact O-N 2.91Å; I238-A242 PolarHBondContact O-N 3.43Å |
| 239 | K | 75 | Confident | 73.4 | Confident | 146 Ų | 146 | 119.3 Ų | 119.3 | 64% | 0.635 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -78.9 | -36.6 | 177.4 | -76.8 | 174.1 | -177.1 | -180 | 0 | 113 | L235 E236 L237 A242 T243 | L235-K239 WeakPolarHBondContact O-CB 3.49Å; L235-K239 WeakPolarHBondContact O-CD 3.19Å; L235-K239 WeakPolarHBondContact O-CG 2.84Å; L235-K239 PolarHBondContact O-N 3.19Å; E236-K239 CarbonylContact O-C 3.24Å; E236-K239 WeakPolarHBondContact O-CB 3.39Å; E236-K239 PolarHBondContact O-N 3.08Å; L237-K239 PolarHBondContact O-N 3.14Å; K239-A242 PolarHBondContact O-N 3.22Å; K239-T243 PolarHBondContact O-N 2.94Å; K239-T243 PolarHBondContact O-OG1 2.6Å |
| 240 | E | 63.9 | Low | 72.6 | Confident | 120 Ų | 120 | 119.8 Ų | 119.8 | 56% | 0.561 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.5 | -40.2 | 176.3 | -76.2 | -175.4 | 166.4 | 0 | 0 | 111.2 | E236 L237 A242 T243 Y244 | E236-E240 PolarHBondContact O-N 2.84Å; L237-E240 PolarHBondContact O-N 3.34Å; E240-A242 VanDerWaalsContact C-N 3.32Å; E240-A242 PolarHBondContact O-N 3.45Å; E240-T243 WeakPolarHBondContact CA-OG1 3.37Å; E240-T243 PolarHBondContact O-N 3.47Å; E240-T243 VanDerWaalsContact O-N 3.14Å; E240-T243 PolarHBondContact O-OG1 3.3Å; E240-Y244 WeakPolarHBondContact O-CD2 3.36Å |
| 241 | D | 57.8 | Low | 71.5 | Confident | 121 Ų | 121 | 117.9 Ų | 117.9 | 65% | 0.647 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.5 | -35.5 | 174.5 | -78.1 | -20.8 | 0 | 0 | 0 | 112 | L237 T243 Y244 | L237-D241 PolarHBondContact O-N 2.9Å; L237-D241 VanDerWaalsContact O-N 3.08Å; D241-T243 PolarHBondContact O-N 3.38Å; D241-Y244 PolarHBondContact O-N 3.26Å |
| 242 | A | 57.5 | Low | 70.3 | Confident | 70 Ų | 70 | 124.1 Ų | 124.1 | 58% | 0.579 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69 | -14.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I238 K239 E240 | I238-A242 PolarHBondContact O-N 3.43Å; K239-A242 PolarHBondContact O-N 3.22Å; E240-A242 VanDerWaalsContact C-N 3.32Å; E240-A242 PolarHBondContact O-N 3.45Å |
| 243 | T | 55.8 | Low | 68.9 | Low | 103 Ų | 103 | 121.6 Ų | 121.6 | 63% | 0.632 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -6.7 | 176.6 | 41.9 | 0 | 0 | 0 | 0 | 114.8 | K239 E240 D241 | K239-T243 PolarHBondContact O-N 2.94Å; K239-T243 PolarHBondContact O-OG1 2.6Å; E240-T243 WeakPolarHBondContact CA-OG1 3.37Å; E240-T243 PolarHBondContact O-N 3.47Å; E240-T243 VanDerWaalsContact O-N 3.14Å; E240-T243 PolarHBondContact O-OG1 3.3Å; D241-T243 PolarHBondContact O-N 3.38Å |
| 244 | Y | 53.5 | Low | 67.4 | Low | 195 Ų | 195 | 120.8 Ų | 120.8 | 77% | 0.765 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 4.3 | 176.2 | -80.4 | -80.2 | 0 | 0 | 0 | 114.9 | E240 D241 | E240-Y244 WeakPolarHBondContact O-CD2 3.36Å; D241-Y244 PolarHBondContact O-N 3.26Å |
| 245 | D | 48.9 | Very low | 65.9 | Low | 148 Ų | 148 | 127.2 Ų | 127.2 | 79% | 0.791 | 65% | 0.649 | S | S | * | * | trans | -102.8 | 31 | 178.4 | -83.6 | -17.5 | 0 | 0 | 0 | 114.4 | ||||
| 246 | L | 42.7 | Very low | 64.1 | Low | 233 Ų | 233 | 131.9 Ų | 131.9 | 100% | 1.22 | 67% | 0.673 | S | S | * | * | trans | -132.7 | 0 | 168.4 | -76.3 | 170.4 | 0 | 0 | 0 | 111.4 |
Retrieved 246 of 246 residues in 167.6 ms
(Link to these results)