| 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 | 64 | Low | 91.8 | Very high | 173 Ų | 173 | 43.1 Ų | 43.1 | 85% | 0.852 | 22% | 0.224 | S | C | * | . | 0 | 129 | 0 | -172.8 | -179.9 | -69.4 | 0 | 0 | 106.4 | T5 A6 N9 | M1-T5 HydrophobicContact CG-CG2 3.75Å; M1-T5 HydrophobicContact SD-CG2 3.92Å; M1-A6 HydrophobicContact CG-CB 4.41Å; M1-A6 HydrophobicContact SD-CB 3.94Å; M1-N9 PolarHBondContact SD-ND2 3.44Å; M1-N9 VanDerWaalsContact SD-ND2 3.44Å | |||
| 2 | D | 90.5 | Very high | 92.3 | Very high | 95 Ų | 95 | 46.2 Ų | 46.2 | 51% | 0.508 | 23% | 0.231 | S | C | . | . | trans | -63.4 | 156.9 | 173.5 | 63.1 | 41.9 | 0 | 0 | 0 | 110.6 | K4 T5 A6 | D2-K4 VanDerWaalsContact C-N 3.29Å; D2-K4 PolarHBondContact O-N 3.42Å; D2-T5 PolarHBondContact O-N 3.01Å; D2-T5 WeakPolarHBondContact OD1-CA 3.49Å; D2-T5 WeakPolarHBondContact OD1-CB 3.31Å; D2-T5 PolarHBondContact OD1-N 3.43Å; D2-T5 PolarHBondContact OD1-OG1 2.79Å; D2-T5 PolarHBondContact OD2-OG1 3.43Å; D2-A6 PolarHBondContact O-N 3.16Å; D2-A6 VanDerWaalsContact O-N 3.08Å | ||
| 3 | L | 91.8 | Very high | 92.7 | Very high | 57 Ų | 57 | 47.3 Ų | 47.3 | 30% | 0.298 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.8 | -37.7 | -175.1 | -179.4 | 60.8 | 0 | 0 | 0 | 112 | A6 V7 L22 K26 L34 | L3-A6 WeakPolarHBondContact O-CB 3.43Å; L3-A6 PolarHBondContact O-N 3.23Å; L3-V7 HydrophobicContact CD1-CG2 4.4Å; L3-V7 WeakPolarHBondContact O-CG2 3.34Å; L3-V7 PolarHBondContact O-N 2.86Å; L3-L22 HydrophobicContact CD1-CB 4.14Å; L3-L22 HydrophobicContact CD1-CD2 3.91Å; L3-L22 HydrophobicContact CD1-CG 4.46Å; L3-K26 VanDerWaalsContact CD2-CE 3.46Å; L3-L34 HydrophobicContact CD2-CD1 3.7Å; L3-L34 HydrophobicContact CD2-CD2 4.18Å; L3-L34 HydrophobicContact CG-CD1 4.21Å; L3-L34 HydrophobicContact CG-CD2 4.16Å |
| 4 | K | 91.9 | Very high | 93.1 | Very high | 59 Ų | 59 | 45.4 Ų | 45.4 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.4 | -49.8 | 177.1 | 178.6 | -158.5 | -178 | 132.9 | 0 | 111.9 | D2 A6 V7 F8 E37 K38 T39 | D2-K4 VanDerWaalsContact C-N 3.29Å; D2-K4 PolarHBondContact O-N 3.42Å; K4-A6 VanDerWaalsContact C-N 3.29Å; K4-A6 PolarHBondContact O-N 2.97Å; K4-V7 PolarHBondContact O-N 2.98Å; K4-F8 WeakPolarHBondContact O-CB 3.35Å; K4-F8 PolarHBondContact O-N 3.05Å; K4-E37 WeakPolarHBondContact CD-OE2 3.4Å; K4-E37 WeakPolarHBondContact CE-OE2 3.49Å; K4-E37 HydrophobicContact CG-CB 4.31Å; K4-E37 WeakPolarHBondContact CG-OE2 3.47Å; K4-E37 IonicContact NZ-OE2 2.77Å; K4-E37 PolarHBondContact NZ-OE2 3.22Å; K4-K38 WeakPolarHBondContact CE-O 3.44Å; K4-K38 PolarHBondContact NZ-O 2.81Å; K4-T39 WeakPolarHBondContact CE-OG1 3.26Å |
| 5 | T | 94.1 | Very high | 93.4 | Very high | 35 Ų | 35 | 49.2 Ų | 49.2 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.5 | -35.2 | 178.7 | -59.6 | 0 | 0 | 0 | 0 | 110.4 | M1 D2 N9 | M1-T5 HydrophobicContact CG-CG2 3.75Å; M1-T5 HydrophobicContact SD-CG2 3.92Å; D2-T5 PolarHBondContact O-N 3.01Å; D2-T5 WeakPolarHBondContact OD1-CA 3.49Å; D2-T5 WeakPolarHBondContact OD1-CB 3.31Å; D2-T5 PolarHBondContact OD1-N 3.43Å; D2-T5 PolarHBondContact OD1-OG1 2.79Å; D2-T5 PolarHBondContact OD2-OG1 3.43Å; T5-N9 WeakPolarHBondContact CG2-ND2 3.4Å; T5-N9 VanDerWaalsContact O-CB 3.26Å; T5-N9 WeakPolarHBondContact O-CB 3.39Å; T5-N9 PolarHBondContact O-N 3.37Å; T5-N9 PolarHBondContact O-ND2 3.02Å; T5-N9 VanDerWaalsContact O-ND2 3.15Å |
| 6 | A | 95.1 | Very high | 93.6 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66 | -44.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 D2 L3 K4 N9 A10 L22 | M1-A6 HydrophobicContact CG-CB 4.41Å; M1-A6 HydrophobicContact SD-CB 3.94Å; D2-A6 PolarHBondContact O-N 3.16Å; D2-A6 VanDerWaalsContact O-N 3.08Å; L3-A6 WeakPolarHBondContact O-CB 3.43Å; L3-A6 PolarHBondContact O-N 3.23Å; K4-A6 VanDerWaalsContact C-N 3.29Å; K4-A6 PolarHBondContact O-N 2.97Å; A6-N9 PolarHBondContact O-N 3.21Å; A6-A10 VanDerWaalsContact O-CB 3.29Å; A6-A10 WeakPolarHBondContact O-CB 3.45Å; A6-A10 PolarHBondContact O-N 2.85Å; A6-L22 HydrophobicContact CB-CD1 3.8Å; A6-L22 HydrophobicContact CB-CD2 4.49Å |
| 7 | V | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.2 | -49.2 | 174.1 | 162.9 | 0 | 0 | 0 | 0 | 110.7 | L3 K4 N9 A10 A11 L19 L22 L23 P44 | L3-V7 HydrophobicContact CD1-CG2 4.4Å; L3-V7 WeakPolarHBondContact O-CG2 3.34Å; L3-V7 PolarHBondContact O-N 2.86Å; K4-V7 PolarHBondContact O-N 2.98Å; V7-N9 PolarHBondContact O-N 2.82Å; V7-A10 PolarHBondContact O-N 3.32Å; V7-A11 PolarHBondContact O-N 3.4Å; V7-L19 HydrophobicContact CB-CD1 4.09Å; V7-L19 HydrophobicContact CG1-CD1 3.71Å; V7-L19 HydrophobicContact CG2-CD1 4.03Å; V7-L22 HydrophobicContact CG2-CB 4.42Å; V7-L22 HydrophobicContact CG2-CD1 4.37Å; V7-L23 HydrophobicContact CG2-CD2 4.06Å; V7-P44 HydrophobicContact CG1-CB 4.46Å; V7-P44 HydrophobicContact CG1-CG 3.8Å |
| 8 | F | 96 | Very high | 94 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 4% | 0.039 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.5 | -49.9 | 176.5 | 174.2 | -94.5 | 0 | 0 | 0 | 112.4 | K4 A10 A11 R12 T39 A42 M47 | K4-F8 WeakPolarHBondContact O-CB 3.35Å; K4-F8 PolarHBondContact O-N 3.05Å; F8-A10 VanDerWaalsContact C-N 3.34Å; F8-A10 PolarHBondContact O-N 3.26Å; F8-A11 PolarHBondContact O-N 2.7Å; F8-R12 WeakPolarHBondContact O-CB 3.43Å; F8-R12 PolarHBondContact O-N 2.61Å; F8-T39 HydrophobicContact CB-CG2 4.34Å; F8-T39 HydrophobicContact CD1-CG2 3.89Å; F8-T39 HydrophobicContact CD2-CG2 4.35Å; F8-T39 HydrophobicContact CE1-CG2 4.25Å; F8-T39 VanDerWaalsContact CE2-O 3.26Å; F8-T39 WeakPolarHBondContact CE2-O 3.12Å; F8-T39 HydrophobicContact CG-CG2 3.94Å; F8-A42 HydrophobicContact CE2-CB 3.96Å; F8-A42 WeakPolarHBondContact CE2-O 3.37Å; F8-M47 HydrophobicContact CD2-CG 4.1Å; F8-M47 HydrophobicContact CE2-CG 3.34Å; F8-M47 HydrophobicContact CE2-SD 4.14Å; F8-M47 HydrophobicContact CZ-CG 3.65Å; F8-M47 HydrophobicContact CZ-SD 3.96Å |
| 9 | N | 96.6 | Very high | 94.1 | Very high | 28 Ų | 28 | 56.5 Ų | 56.5 | 15% | 0.15 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.5 | -37.4 | 179.5 | -74 | -29.9 | 0 | 0 | 0 | 111.8 | M1 T5 A6 V7 R12 D13 | M1-N9 PolarHBondContact SD-ND2 3.44Å; M1-N9 VanDerWaalsContact SD-ND2 3.44Å; T5-N9 WeakPolarHBondContact CG2-ND2 3.4Å; T5-N9 VanDerWaalsContact O-CB 3.26Å; T5-N9 WeakPolarHBondContact O-CB 3.39Å; T5-N9 PolarHBondContact O-N 3.37Å; T5-N9 PolarHBondContact O-ND2 3.02Å; T5-N9 VanDerWaalsContact O-ND2 3.15Å; A6-N9 PolarHBondContact O-N 3.21Å; V7-N9 PolarHBondContact O-N 2.82Å; N9-R12 PolarHBondContact O-N 3.46Å; N9-R12 PolarHBondContact OD1-NH1 3.32Å; N9-R12 VanDerWaalsContact OD1-NH1 3.13Å; N9-R12 PolarHBondContact OD1-NH2 3.4Å; N9-D13 WeakPolarHBondContact O-CB 3.3Å; N9-D13 PolarHBondContact O-N 3.45Å |
| 10 | A | 97.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A6 V7 F8 G14 K15 L18 L19 M56 | A6-A10 VanDerWaalsContact O-CB 3.29Å; A6-A10 WeakPolarHBondContact O-CB 3.45Å; A6-A10 PolarHBondContact O-N 2.85Å; V7-A10 PolarHBondContact O-N 3.32Å; F8-A10 VanDerWaalsContact C-N 3.34Å; F8-A10 PolarHBondContact O-N 3.26Å; A10-G14 PolarHBondContact O-N 3.36Å; A10-G14 VanDerWaalsContact O-N 3.11Å; A10-K15 HydrophobicContact CB-CB 4.42Å; A10-K15 PolarHBondContact O-N 3.12Å; A10-L18 HydrophobicContact CB-CB 4.48Å; A10-L18 HydrophobicContact CB-CD2 4.2Å; A10-L18 HydrophobicContact CB-CG 4.29Å; A10-L19 HydrophobicContact CB-CB 4.01Å; A10-L19 HydrophobicContact CB-CD1 4.43Å; A10-M56 WeakPolarHBondContact O-CE 3.33Å |
| 11 | A | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V7 F8 D13 G14 P44 H53 M56 L60 | V7-A11 PolarHBondContact O-N 3.4Å; F8-A11 PolarHBondContact O-N 2.7Å; A11-D13 VanDerWaalsContact C-N 3.34Å; A11-D13 PolarHBondContact O-N 3.02Å; A11-G14 PolarHBondContact O-N 3.17Å; A11-P44 HydrophobicContact CB-CB 3.6Å; A11-P44 WeakPolarHBondContact CB-O 3.38Å; A11-H53 PolarHBondContact O-CD2 3.35Å; A11-H53 VanDerWaalsContact O-CD2 3.27Å; A11-M56 HydrophobicContact CB-CG 4.25Å; A11-M56 HydrophobicContact CB-SD 4.41Å; A11-L60 HydrophobicContact CB-CD1 4.43Å |
| 12 | R | 97.3 | Very high | 95.8 | Very high | 80 Ų | 80 | 55.1 Ų | 55.1 | 30% | 0.302 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 175.4 | -172.9 | -163.8 | 65.9 | -157.5 | -6.5 | 112.7 | F8 N9 M47 Y51 H53 | F8-R12 WeakPolarHBondContact O-CB 3.43Å; F8-R12 PolarHBondContact O-N 2.61Å; N9-R12 PolarHBondContact O-N 3.46Å; N9-R12 PolarHBondContact OD1-NH1 3.32Å; N9-R12 VanDerWaalsContact OD1-NH1 3.13Å; N9-R12 PolarHBondContact OD1-NH2 3.4Å; R12-M47 HydrophobicContact CB-CB 4.02Å; R12-M47 HydrophobicContact CB-CG 4.4Å; R12-M47 HydrophobicContact CG-CB 4.39Å; R12-Y51 HydrophobicContact CG-CD2 3.75Å; R12-Y51 HydrophobicContact CG-CE2 3.45Å; R12-Y51 VanDerWaalsContact CG-CE2 3.45Å; R12-H53 PolarHBondContact O-CD2 3.06Å; R12-H53 PolarHBondContact O-NE2 3.14Å |
| 13 | D | 97.8 | Very high | 96 | Very high | 61 Ų | 61 | 51.2 Ų | 51.2 | 33% | 0.326 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1 | -175.5 | -62.2 | -3.9 | 0 | 0 | 0 | 113.2 | N9 A11 K15 | N9-D13 WeakPolarHBondContact O-CB 3.3Å; N9-D13 PolarHBondContact O-N 3.45Å; A11-D13 VanDerWaalsContact C-N 3.34Å; A11-D13 PolarHBondContact O-N 3.02Å; D13-K15 VanDerWaalsContact C-N 3.29Å; D13-K15 HydrophobicContact CB-CD 3.97Å; D13-K15 HydrophobicContact CB-CG 3.99Å; D13-K15 PolarHBondContact O-N 2.98Å; D13-K15 IonicContact OD2-NZ 3.05Å; D13-K15 PolarHBondContact OD2-NZ 3.27Å |
| 14 | G | 97.7 | Very high | 96 | Very high | 21 Ų | 21 | 52.5 Ų | 52.5 | 22% | 0.216 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 21.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A10 A11 L16 H53 | A10-G14 PolarHBondContact O-N 3.36Å; A10-G14 VanDerWaalsContact O-N 3.11Å; A11-G14 PolarHBondContact O-N 3.17Å; G14-L16 VanDerWaalsContact C-N 3.33Å; G14-L16 PolarHBondContact O-N 3.49Å; G14-H53 VanDerWaalsContact CA-CD2 3.45Å; G14-H53 WeakPolarHBondContact CA-CD2 3.35Å; G14-H53 VanDerWaalsContact CA-CG 3.43Å; G14-H53 PolarHBondContact N-CD2 3.4Å; G14-H53 VanDerWaalsContact N-CD2 3.34Å; G14-H53 PolarHBondContact N-NE2 2.89Å |
| 15 | K | 97.9 | Very high | 95.9 | Very high | 102 Ų | 102 | 54.5 Ų | 54.5 | 44% | 0.443 | 29% | 0.286 | S | S | . | . | trans | -86 | 65.7 | -176.2 | -64.3 | 173.6 | -178.6 | 150.1 | 0 | 111.9 | A10 D13 R17 L18 L19 M56 | A10-K15 HydrophobicContact CB-CB 4.42Å; A10-K15 PolarHBondContact O-N 3.12Å; D13-K15 VanDerWaalsContact C-N 3.29Å; D13-K15 HydrophobicContact CB-CD 3.97Å; D13-K15 HydrophobicContact CB-CG 3.99Å; D13-K15 PolarHBondContact O-N 2.98Å; D13-K15 IonicContact OD2-NZ 3.05Å; D13-K15 PolarHBondContact OD2-NZ 3.27Å; K15-R17 VanDerWaalsContact C-N 3.31Å; K15-R17 PolarHBondContact O-N 3.34Å; K15-L18 HydrophobicContact CB-CB 3.94Å; K15-L18 HydrophobicContact CB-CD2 4.46Å; K15-L18 HydrophobicContact CD-CD2 4.24Å; K15-L18 WeakPolarHBondContact O-CA 3.19Å; K15-L18 WeakPolarHBondContact O-CB 3.48Å; K15-L18 PolarHBondContact O-N 3.18Å; K15-L19 PolarHBondContact O-N 3.45Å; K15-M56 VanDerWaalsContact C-CE 3.49Å | ||
| 16 | L | 97.5 | Very high | 95.8 | Very high | 40 Ų | 40 | 56 Ų | 56 | 21% | 0.209 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.4 | -41.1 | -174.6 | 178.1 | 58.6 | 0 | 0 | 0 | 113.2 | G14 L18 L19 T20 D55 M56 F59 | G14-L16 VanDerWaalsContact C-N 3.33Å; G14-L16 PolarHBondContact O-N 3.49Å; L16-L18 VanDerWaalsContact C-N 3.25Å; L16-L18 PolarHBondContact O-N 2.9Å; L16-L19 PolarHBondContact O-N 3.42Å; L16-T20 HydrophobicContact CD1-CG2 4.05Å; L16-T20 HydrophobicContact CG-CG2 4.42Å; L16-T20 WeakPolarHBondContact O-CB 3.31Å; L16-T20 WeakPolarHBondContact O-CG2 3.29Å; L16-T20 PolarHBondContact O-N 3.25Å; L16-T20 PolarHBondContact O-OG1 2.98Å; L16-D55 HydrophobicContact CD2-CB 3.99Å; L16-M56 HydrophobicContact CB-CE 4.11Å; L16-M56 HydrophobicContact CB-SD 4.41Å; L16-M56 HydrophobicContact CD1-SD 4.07Å; L16-M56 VanDerWaalsContact N-CE 3.27Å; L16-F59 HydrophobicContact CD1-CB 3.6Å; L16-F59 HydrophobicContact CD1-CD1 3.56Å; L16-F59 HydrophobicContact CD1-CD2 4.02Å; L16-F59 HydrophobicContact CD1-CE1 4.24Å; L16-F59 HydrophobicContact CD1-CG 3.43Å; L16-F59 VanDerWaalsContact CD1-CG 3.43Å |
| 17 | R | 97 | Very high | 95.8 | Very high | 218 Ų | 218 | 57.5 Ų | 57.5 | 82% | 0.823 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.2 | -30.6 | 175.7 | -67.6 | -176.2 | -175.9 | 172.3 | 1.4 | 113.6 | K15 T20 K21 | K15-R17 VanDerWaalsContact C-N 3.31Å; K15-R17 PolarHBondContact O-N 3.34Å; R17-T20 VanDerWaalsContact C-OG1 3.28Å; R17-T20 VanDerWaalsContact CA-OG1 3.29Å; R17-T20 WeakPolarHBondContact CA-OG1 3.29Å; R17-T20 PolarHBondContact O-OG1 3.01Å; R17-K21 VanDerWaalsContact O-CG 3.29Å; R17-K21 WeakPolarHBondContact O-CG 3.29Å; R17-K21 PolarHBondContact O-N 3.23Å |
| 18 | L | 96.7 | Very high | 95.6 | Very high | 78 Ų | 78 | 66.1 Ų | 66.1 | 41% | 0.408 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -76.8 | -46.9 | 175.7 | 176.4 | 61.1 | 0 | 0 | 0 | 109.8 | A10 K15 L16 T20 K21 L22 | A10-L18 HydrophobicContact CB-CB 4.48Å; A10-L18 HydrophobicContact CB-CD2 4.2Å; A10-L18 HydrophobicContact CB-CG 4.29Å; K15-L18 HydrophobicContact CB-CB 3.94Å; K15-L18 HydrophobicContact CB-CD2 4.46Å; K15-L18 HydrophobicContact CD-CD2 4.24Å; K15-L18 WeakPolarHBondContact O-CA 3.19Å; K15-L18 WeakPolarHBondContact O-CB 3.48Å; K15-L18 PolarHBondContact O-N 3.18Å; L16-L18 VanDerWaalsContact C-N 3.25Å; L16-L18 PolarHBondContact O-N 2.9Å; L18-T20 PolarHBondContact O-N 3.45Å; L18-K21 WeakPolarHBondContact O-CB 3.45Å; L18-K21 PolarHBondContact O-N 3.27Å; L18-K21 VanDerWaalsContact O-N 3.17Å; L18-L22 HydrophobicContact CD1-CD1 4.32Å; L18-L22 HydrophobicContact CD1-CG 4.2Å; L18-L22 HydrophobicContact CG-CD1 4.04Å; L18-L22 HydrophobicContact CG-CG 4.36Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 2.86Å |
| 19 | L | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.2 | -49.5 | 178.9 | -178 | 67.4 | 0 | 0 | 0 | 111.5 | V7 A10 K15 L16 K21 L22 L23 M56 F59 L60 | V7-L19 HydrophobicContact CB-CD1 4.09Å; V7-L19 HydrophobicContact CG1-CD1 3.71Å; V7-L19 HydrophobicContact CG2-CD1 4.03Å; A10-L19 HydrophobicContact CB-CB 4.01Å; A10-L19 HydrophobicContact CB-CD1 4.43Å; K15-L19 PolarHBondContact O-N 3.45Å; L16-L19 PolarHBondContact O-N 3.42Å; L19-K21 VanDerWaalsContact C-N 3.3Å; L19-K21 PolarHBondContact O-N 3.25Å; L19-L22 WeakPolarHBondContact O-CB 3.41Å; L19-L22 PolarHBondContact O-N 3.29Å; L19-L23 HydrophobicContact CD1-CD1 3.93Å; L19-L23 HydrophobicContact CD1-CG 4.2Å; L19-L23 HydrophobicContact CD2-CD1 4.46Å; L19-L23 HydrophobicContact CG-CD1 3.91Å; L19-L23 HydrophobicContact CG-CG 4.42Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 3.1Å; L19-M56 HydrophobicContact CB-SD 4.2Å; L19-M56 HydrophobicContact CD2-SD 3.36Å; L19-M56 WeakPolarHBondContact CD2-SD 3.41Å; L19-M56 HydrophobicContact CG-SD 4.4Å; L19-F59 HydrophobicContact CD2-CD1 3.87Å; L19-F59 HydrophobicContact CD2-CE1 3.79Å; L19-F59 HydrophobicContact CG-CE1 4.17Å; L19-L60 HydrophobicContact CD2-CD2 3.87Å; L19-L60 HydrophobicContact CD2-CG 4.32Å |
| 20 | T | 95.9 | Very high | 95.2 | Very high | 51 Ų | 51 | 74.7 Ų | 74.7 | 31% | 0.313 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.2 | -43.4 | 176.2 | 45.6 | 0 | 0 | 0 | 0 | 112.1 | L16 R17 L18 L23 A24 F59 | L16-T20 HydrophobicContact CD1-CG2 4.05Å; L16-T20 HydrophobicContact CG-CG2 4.42Å; L16-T20 WeakPolarHBondContact O-CB 3.31Å; L16-T20 WeakPolarHBondContact O-CG2 3.29Å; L16-T20 PolarHBondContact O-N 3.25Å; L16-T20 PolarHBondContact O-OG1 2.98Å; R17-T20 VanDerWaalsContact C-OG1 3.28Å; R17-T20 VanDerWaalsContact CA-OG1 3.29Å; R17-T20 WeakPolarHBondContact CA-OG1 3.29Å; R17-T20 PolarHBondContact O-OG1 3.01Å; L18-T20 PolarHBondContact O-N 3.45Å; T20-L23 PolarHBondContact O-N 2.95Å; T20-A24 WeakPolarHBondContact O-CB 3.38Å; T20-A24 PolarHBondContact O-N 3.21Å; T20-F59 HydrophobicContact CG2-CD2 4.21Å; T20-F59 HydrophobicContact CG2-CE1 4.13Å; T20-F59 HydrophobicContact CG2-CE2 3.57Å; T20-F59 HydrophobicContact CG2-CZ 3.53Å |
| 21 | K | 95.7 | Very high | 95.1 | Very high | 164 Ų | 164 | 75.5 Ų | 75.5 | 71% | 0.713 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.1 | -40 | 174.5 | -75.8 | 178.6 | 179.8 | -173.1 | 0 | 113.2 | R17 L18 L19 L23 | R17-K21 VanDerWaalsContact O-CG 3.29Å; R17-K21 WeakPolarHBondContact O-CG 3.29Å; R17-K21 PolarHBondContact O-N 3.23Å; L18-K21 WeakPolarHBondContact O-CB 3.45Å; L18-K21 PolarHBondContact O-N 3.27Å; L18-K21 VanDerWaalsContact O-N 3.17Å; L19-K21 VanDerWaalsContact C-N 3.3Å; L19-K21 PolarHBondContact O-N 3.25Å; K21-L23 VanDerWaalsContact C-N 3.26Å; K21-L23 PolarHBondContact O-N 3.04Å |
| 22 | L | 94.8 | Very high | 94.9 | Very high | 41 Ų | 41 | 78.3 Ų | 78.3 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.1 | -30.9 | 178.5 | -69 | 173.2 | 0 | 0 | 0 | 112.2 | L3 A6 V7 L18 L19 | L3-L22 HydrophobicContact CD1-CB 4.14Å; L3-L22 HydrophobicContact CD1-CD2 3.91Å; L3-L22 HydrophobicContact CD1-CG 4.46Å; A6-L22 HydrophobicContact CB-CD1 3.8Å; A6-L22 HydrophobicContact CB-CD2 4.49Å; V7-L22 HydrophobicContact CG2-CB 4.42Å; V7-L22 HydrophobicContact CG2-CD1 4.37Å; L18-L22 HydrophobicContact CD1-CD1 4.32Å; L18-L22 HydrophobicContact CD1-CG 4.2Å; L18-L22 HydrophobicContact CG-CD1 4.04Å; L18-L22 HydrophobicContact CG-CG 4.36Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 2.86Å; L19-L22 WeakPolarHBondContact O-CB 3.41Å; L19-L22 PolarHBondContact O-N 3.29Å |
| 23 | L | 94.7 | Very high | 94.7 | Very high | 13 Ų | 13 | 77.2 Ų | 77.2 | 7% | 0.068 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -94.7 | -16.8 | -178.4 | -59.9 | 179.9 | 0 | 0 | 0 | 113.7 | V7 L19 T20 K21 S25 K26 V31 L34 F59 | V7-L23 HydrophobicContact CG2-CD2 4.06Å; L19-L23 HydrophobicContact CD1-CD1 3.93Å; L19-L23 HydrophobicContact CD1-CG 4.2Å; L19-L23 HydrophobicContact CD2-CD1 4.46Å; L19-L23 HydrophobicContact CG-CD1 3.91Å; L19-L23 HydrophobicContact CG-CG 4.42Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 3.1Å; T20-L23 PolarHBondContact O-N 2.95Å; K21-L23 VanDerWaalsContact C-N 3.26Å; K21-L23 PolarHBondContact O-N 3.04Å; L23-S25 PolarHBondContact O-N 3Å; L23-S25 VanDerWaalsContact O-N 3.11Å; L23-K26 WeakPolarHBondContact O-CB 3.36Å; L23-K26 PolarHBondContact O-N 3.36Å; L23-V31 HydrophobicContact CB-CG2 4.23Å; L23-V31 HydrophobicContact CD1-CG1 4.25Å; L23-V31 HydrophobicContact CD2-CG2 4.27Å; L23-L34 HydrophobicContact CD2-CD1 4.06Å; L23-F59 HydrophobicContact CD1-CE1 4.16Å |
| 24 | A | 91.9 | Very high | 94.5 | Very high | 84 Ų | 84 | 75.3 Ų | 75.3 | 69% | 0.694 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -30.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T20 | T20-A24 WeakPolarHBondContact O-CB 3.38Å; T20-A24 PolarHBondContact O-N 3.21Å |
| 25 | S | 89.9 | Confident | 94.3 | Very high | 102 Ų | 102 | 74.6 Ų | 74.6 | 71% | 0.713 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 13.1 | -178.7 | 75.2 | 0 | 0 | 0 | 0 | 113.5 | L23 | L23-S25 PolarHBondContact O-N 3Å; L23-S25 VanDerWaalsContact O-N 3.11Å |
| 26 | K | 93.3 | Very high | 94.1 | Very high | 66 Ų | 66 | 72.9 Ų | 72.9 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -105.5 | 145.8 | -171.5 | -60.9 | -57.8 | -176.8 | 178.7 | 0 | 111.9 | L3 L23 E30 V31 L34 | L3-K26 VanDerWaalsContact CD2-CE 3.46Å; L23-K26 WeakPolarHBondContact O-CB 3.36Å; L23-K26 PolarHBondContact O-N 3.36Å; K26-E30 VanDerWaalsContact CA-OE2 3.31Å; K26-E30 WeakPolarHBondContact CA-OE2 3.26Å; K26-E30 HydrophobicContact CB-CB 4.01Å; K26-E30 HydrophobicContact CD-CB 4.37Å; K26-E30 WeakPolarHBondContact CD-OE2 3.46Å; K26-E30 IonicContact NZ-OE1 2.88Å; K26-E30 PolarHBondContact NZ-OE1 3.01Å; K26-V31 HydrophobicContact CB-CG2 3.77Å; K26-L34 HydrophobicContact CG-CD1 4.44Å |
| 27 | S | 93.6 | Very high | 93.9 | Very high | 49 Ų | 49 | 74 Ų | 74 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | trans | -67 | 162.4 | 170.9 | 92.8 | 0 | 0 | 0 | 0 | 110.5 | E29 E30 V31 | S27-E29 WeakPolarHBondContact CB-OE2 3.45Å; S27-E29 PolarHBondContact O-N 3.24Å; S27-E29 PolarHBondContact OG-N 2.96Å; S27-E29 PolarHBondContact OG-OE2 3.06Å; S27-E30 PolarHBondContact N-OE2 3.47Å; S27-E30 PolarHBondContact O-N 3.44Å; S27-E30 PolarHBondContact OG-N 3.37Å; S27-V31 WeakPolarHBondContact O-CG2 3.4Å; S27-V31 PolarHBondContact O-N 2.91Å | ||
| 28 | K | 91.2 | Very high | 93.8 | Very high | 180 Ų | 180 | 68.3 Ų | 68.3 | 78% | 0.783 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.5 | -37.2 | 177 | -71.9 | -174.3 | 175.5 | -175.7 | 0 | 111.8 | V31 S32 | K28-V31 PolarHBondContact O-N 3.19Å; K28-S32 WeakPolarHBondContact O-CB 3.48Å; K28-S32 PolarHBondContact O-N 3.2Å |
| 29 | E | 92.2 | Very high | 93.6 | Very high | 138 Ų | 138 | 65.3 Ų | 65.3 | 65% | 0.645 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.3 | -43.3 | 177.3 | -56.5 | 72.4 | -154.9 | 0 | 0 | 111.2 | S27 S32 S33 | S27-E29 WeakPolarHBondContact CB-OE2 3.45Å; S27-E29 PolarHBondContact O-N 3.24Å; S27-E29 PolarHBondContact OG-N 2.96Å; S27-E29 PolarHBondContact OG-OE2 3.06Å; E29-S32 PolarHBondContact O-N 3.03Å; E29-S33 WeakPolarHBondContact O-CB 3.24Å; E29-S33 PolarHBondContact O-N 3.42Å |
| 30 | E | 93.9 | Very high | 93.4 | Very high | 80 Ų | 80 | 72.2 Ų | 72.2 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 174.7 | -72.2 | -177 | 111.3 | 0 | 0 | 111.7 | K26 S27 S33 L34 | K26-E30 VanDerWaalsContact CA-OE2 3.31Å; K26-E30 WeakPolarHBondContact CA-OE2 3.26Å; K26-E30 HydrophobicContact CB-CB 4.01Å; K26-E30 HydrophobicContact CD-CB 4.37Å; K26-E30 WeakPolarHBondContact CD-OE2 3.46Å; K26-E30 IonicContact NZ-OE1 2.88Å; K26-E30 PolarHBondContact NZ-OE1 3.01Å; S27-E30 PolarHBondContact N-OE2 3.47Å; S27-E30 PolarHBondContact O-N 3.44Å; S27-E30 PolarHBondContact OG-N 3.37Å; E30-S33 PolarHBondContact O-N 3.43Å; E30-L34 WeakPolarHBondContact O-CB 3.49Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.4Å; E30-L34 PolarHBondContact O-N 2.92Å |
| 31 | V | 94.1 | Very high | 93.3 | Very high | 18 Ų | 18 | 70.9 Ų | 70.9 | 11% | 0.109 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | L23 K26 S27 K28 S33 L34 I35 C64 | L23-V31 HydrophobicContact CB-CG2 4.23Å; L23-V31 HydrophobicContact CD1-CG1 4.25Å; L23-V31 HydrophobicContact CD2-CG2 4.27Å; K26-V31 HydrophobicContact CB-CG2 3.77Å; S27-V31 WeakPolarHBondContact O-CG2 3.4Å; S27-V31 PolarHBondContact O-N 2.91Å; K28-V31 PolarHBondContact O-N 3.19Å; V31-S33 VanDerWaalsContact C-N 3.29Å; V31-S33 PolarHBondContact O-N 3.29Å; V31-L34 PolarHBondContact O-N 3.34Å; V31-I35 HydrophobicContact CG1-CD1 4.48Å; V31-I35 HydrophobicContact CG1-CG2 4.36Å; V31-I35 WeakPolarHBondContact O-CG1 3.41Å; V31-I35 WeakPolarHBondContact O-CG2 3.41Å; V31-I35 PolarHBondContact O-N 3.38Å; V31-C64 HydrophobicContact CG1-CB 3.83Å |
| 32 | S | 93.1 | Very high | 93.4 | Very high | 58 Ų | 58 | 63.2 Ų | 63.2 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 178 | -173.4 | 0 | 0 | 0 | 0 | 112 | K28 E29 I35 S36 | K28-S32 WeakPolarHBondContact O-CB 3.48Å; K28-S32 PolarHBondContact O-N 3.2Å; E29-S32 PolarHBondContact O-N 3.03Å; S32-I35 WeakPolarHBondContact O-CG1 3.5Å; S32-S36 WeakPolarHBondContact O-CB 3.38Å; S32-S36 PolarHBondContact O-N 2.85Å; S32-S36 VanDerWaalsContact O-N 3.16Å; S32-S36 PolarHBondContact O-OG 3.2Å |
| 33 | S | 93.1 | Very high | 93.5 | Very high | 58 Ų | 58 | 61.5 Ų | 61.5 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.9 | -54.2 | 174.8 | -169.3 | 0 | 0 | 0 | 0 | 110.5 | E29 E30 V31 I35 S36 E37 | E29-S33 WeakPolarHBondContact O-CB 3.24Å; E29-S33 PolarHBondContact O-N 3.42Å; E30-S33 PolarHBondContact O-N 3.43Å; V31-S33 VanDerWaalsContact C-N 3.29Å; V31-S33 PolarHBondContact O-N 3.29Å; S33-I35 VanDerWaalsContact C-N 3.34Å; S33-I35 PolarHBondContact O-N 3.22Å; S33-S36 PolarHBondContact O-N 3.27Å; S33-S36 VanDerWaalsContact O-N 3.12Å; S33-S36 PolarHBondContact O-OG 2.95Å; S33-E37 WeakPolarHBondContact O-CG 3.48Å; S33-E37 PolarHBondContact O-N 3.11Å; S33-E37 VanDerWaalsContact O-N 3.12Å |
| 34 | L | 94.1 | Very high | 93.7 | Very high | 20 Ų | 20 | 61 Ų | 61 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.8 | -38.1 | -175.3 | -73 | 167.4 | 0 | 0 | 0 | 113.6 | L3 L23 K26 E30 V31 | L3-L34 HydrophobicContact CD2-CD1 3.7Å; L3-L34 HydrophobicContact CD2-CD2 4.18Å; L3-L34 HydrophobicContact CG-CD1 4.21Å; L3-L34 HydrophobicContact CG-CD2 4.16Å; L23-L34 HydrophobicContact CD2-CD1 4.06Å; K26-L34 HydrophobicContact CG-CD1 4.44Å; E30-L34 WeakPolarHBondContact O-CB 3.49Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.4Å; E30-L34 PolarHBondContact O-N 2.92Å; V31-L34 PolarHBondContact O-N 3.34Å |
| 35 | I | 94.1 | Very high | 94 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -80.6 | -21.4 | 178.8 | 71 | -172.6 | 0 | 0 | 0 | 113.3 | V31 S32 S33 P44 L60 C64 A66 | V31-I35 HydrophobicContact CG1-CD1 4.48Å; V31-I35 HydrophobicContact CG1-CG2 4.36Å; V31-I35 WeakPolarHBondContact O-CG1 3.41Å; V31-I35 WeakPolarHBondContact O-CG2 3.41Å; V31-I35 PolarHBondContact O-N 3.38Å; S32-I35 WeakPolarHBondContact O-CG1 3.5Å; S33-I35 VanDerWaalsContact C-N 3.34Å; S33-I35 PolarHBondContact O-N 3.22Å; I35-P44 WeakPolarHBondContact O-CD 3.36Å; I35-L60 HydrophobicContact CB-CD2 4.49Å; I35-L60 HydrophobicContact CG2-CD2 3.89Å; I35-C64 HydrophobicContact CD1-CB 3.58Å; I35-C64 WeakPolarHBondContact CD1-O 3.08Å; I35-C64 HydrophobicContact CG2-CB 4.19Å; I35-A66 HydrophobicContact CD1-CB 3.92Å; I35-A66 HydrophobicContact CG1-CB 4.45Å |
| 36 | S | 93.7 | Very high | 94.4 | Very high | 65 Ų | 65 | 52.2 Ų | 52.2 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -84.3 | -20.7 | 178.1 | 71.1 | 0 | 0 | 0 | 0 | 112.3 | S32 S33 | S32-S36 WeakPolarHBondContact O-CB 3.38Å; S32-S36 PolarHBondContact O-N 2.85Å; S32-S36 VanDerWaalsContact O-N 3.16Å; S32-S36 PolarHBondContact O-OG 3.2Å; S33-S36 PolarHBondContact O-N 3.27Å; S33-S36 VanDerWaalsContact O-N 3.12Å; S33-S36 PolarHBondContact O-OG 2.95Å |
| 37 | E | 92.5 | Very high | 94.6 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | trans | -68.9 | 137.1 | -179.3 | -82.7 | -171.7 | -133.5 | 0 | 0 | 113.5 | K4 S33 | K4-E37 WeakPolarHBondContact CD-OE2 3.4Å; K4-E37 WeakPolarHBondContact CE-OE2 3.49Å; K4-E37 HydrophobicContact CG-CB 4.31Å; K4-E37 WeakPolarHBondContact CG-OE2 3.47Å; K4-E37 IonicContact NZ-OE2 2.77Å; K4-E37 PolarHBondContact NZ-OE2 3.22Å; S33-E37 WeakPolarHBondContact O-CG 3.48Å; S33-E37 PolarHBondContact O-N 3.11Å; S33-E37 VanDerWaalsContact O-N 3.12Å | ||
| 38 | K | 94.4 | Very high | 94.8 | Very high | 99 Ų | 99 | 47 Ų | 47 | 43% | 0.43 | 25% | 0.251 | S | S | . | . | trans | -88.7 | 127.2 | 174 | -68.4 | 175.3 | 175.7 | -177.5 | 0 | 111 | K4 G41 A42 T43 G71 | K4-K38 WeakPolarHBondContact CE-O 3.44Å; K4-K38 PolarHBondContact NZ-O 2.81Å; K38-G41 WeakPolarHBondContact CD-O 3.34Å; K38-A42 VanDerWaalsContact CA-O 3.32Å; K38-A42 WeakPolarHBondContact CA-O 3.44Å; K38-T43 HydrophobicContact CG-CG2 4.02Å; K38-G71 WeakPolarHBondContact CE-O 3.41Å; K38-G71 PolarHBondContact NZ-O 3.36Å | ||
| 39 | T | 94 | Very high | 95.2 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 9% | 0.092 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -112.5 | 127.8 | 166.1 | -58.2 | 0 | 0 | 0 | 0 | 107.4 | K4 F8 G41 A42 | K4-T39 WeakPolarHBondContact CE-OG1 3.26Å; F8-T39 HydrophobicContact CB-CG2 4.34Å; F8-T39 HydrophobicContact CD1-CG2 3.89Å; F8-T39 HydrophobicContact CD2-CG2 4.35Å; F8-T39 HydrophobicContact CE1-CG2 4.25Å; F8-T39 VanDerWaalsContact CE2-O 3.26Å; F8-T39 WeakPolarHBondContact CE2-O 3.12Å; F8-T39 HydrophobicContact CG-CG2 3.94Å; T39-G41 PolarHBondContact O-N 3.2Å; T39-A42 PolarHBondContact N-O 3.14Å; T39-A42 PolarHBondContact O-N 3.41Å |
| 40 | N | 90.4 | Very high | 95.4 | Very high | 144 Ų | 144 | 34 Ų | 34 | 77% | 0.77 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 37.6 | -171.3 | -57.8 | -22.6 | 0 | 0 | 0 | 113 | A42 | N40-A42 VanDerWaalsContact C-N 3.31Å; N40-A42 PolarHBondContact O-N 3.01Å |
| 41 | G | 94.8 | Very high | 95.7 | Very high | 24 Ų | 24 | 35 Ų | 35 | 25% | 0.247 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -4.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.9 | K38 T39 G72 S73 | K38-G41 WeakPolarHBondContact CD-O 3.34Å; T39-G41 PolarHBondContact O-N 3.2Å; G41-G72 CarbonylContact O-C 3.45Å; G41-G72 WeakPolarHBondContact O-CA 3.3Å; G41-S73 PolarHBondContact O-N 3.16Å |
| 42 | A | 97.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -120.4 | 146.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F8 K38 T39 N40 L46 M47 | F8-A42 HydrophobicContact CE2-CB 3.96Å; F8-A42 WeakPolarHBondContact CE2-O 3.37Å; K38-A42 VanDerWaalsContact CA-O 3.32Å; K38-A42 WeakPolarHBondContact CA-O 3.44Å; T39-A42 PolarHBondContact N-O 3.14Å; T39-A42 PolarHBondContact O-N 3.41Å; N40-A42 VanDerWaalsContact C-N 3.31Å; N40-A42 PolarHBondContact O-N 3.01Å; A42-L46 HydrophobicContact CB-CD2 3.93Å; A42-L46 HydrophobicContact CB-CG 4.5Å; A42-M47 HydrophobicContact CB-CE 3.39Å; A42-M47 HydrophobicContact CB-CG 4.1Å; A42-M47 HydrophobicContact CB-SD 4.03Å |
| 43 | T | 97.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | trans | -84.4 | 158.7 | 172.4 | 62 | 0 | 0 | 0 | 0 | 111.2 | K38 L45 L46 M47 V70 | K38-T43 HydrophobicContact CG-CG2 4.02Å; T43-L45 VanDerWaalsContact C-N 3.29Å; T43-L45 PolarHBondContact O-N 3.32Å; T43-L46 PolarHBondContact O-N 3.19Å; T43-L46 WeakPolarHBondContact OG1-CB 3.47Å; T43-L46 PolarHBondContact OG1-N 3.39Å; T43-M47 PolarHBondContact O-N 3.48Å; T43-M47 VanDerWaalsContact O-N 3.08Å; T43-V70 HydrophobicContact CG2-CB 4.28Å; T43-V70 HydrophobicContact CG2-CG1 3.7Å | ||
| 44 | P | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -51.2 | -44 | 169.9 | -31.6 | 38.8 | 0 | 0 | 0 | 113.8 | V7 A11 I35 M47 A48 L60 | V7-P44 HydrophobicContact CG1-CB 4.46Å; V7-P44 HydrophobicContact CG1-CG 3.8Å; A11-P44 HydrophobicContact CB-CB 3.6Å; A11-P44 WeakPolarHBondContact CB-O 3.38Å; I35-P44 WeakPolarHBondContact O-CD 3.36Å; P44-M47 PolarHBondContact O-N 3.38Å; P44-A48 WeakPolarHBondContact O-CB 3.49Å; P44-A48 PolarHBondContact O-N 3.06Å; P44-L60 HydrophobicContact CB-CD1 4.11Å; P44-L60 HydrophobicContact CB-CD2 4.41Å |
| 45 | L | 98.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 178.7 | 178.8 | 62.9 | 0 | 0 | 0 | 111.8 | T43 M47 A48 A49 V57 L60 L61 A66 P86 L102 | T43-L45 VanDerWaalsContact C-N 3.29Å; T43-L45 PolarHBondContact O-N 3.32Å; L45-M47 VanDerWaalsContact C-N 3.33Å; L45-M47 PolarHBondContact O-N 2.89Å; L45-A48 PolarHBondContact O-N 2.97Å; L45-A49 VanDerWaalsContact O-CB 3.3Å; L45-A49 WeakPolarHBondContact O-CB 3.5Å; L45-A49 PolarHBondContact O-N 3.28Å; L45-V57 HydrophobicContact CD1-CB 4.42Å; L45-V57 HydrophobicContact CD1-CG1 4.05Å; L45-V57 HydrophobicContact CD1-CG2 4.33Å; L45-L60 HydrophobicContact CB-CD1 4.23Å; L45-L60 HydrophobicContact CD1-CB 4.26Å; L45-L60 HydrophobicContact CD1-CD1 4.45Å; L45-L61 HydrophobicContact CD1-CD1 4.49Å; L45-L61 HydrophobicContact CD1-CD2 4.22Å; L45-L61 HydrophobicContact CD1-CG 4.09Å; L45-L61 HydrophobicContact CD2-CD2 3.73Å; L45-L61 HydrophobicContact CD2-CG 4.5Å; L45-A66 HydrophobicContact CB-CB 4.34Å; L45-A66 HydrophobicContact CD2-CB 4.1Å; L45-P86 HydrophobicContact CD2-CB 4.44Å; L45-P86 HydrophobicContact CD2-CG 3.9Å; L45-P86 HydrophobicContact CG-CB 4.17Å; L45-P86 HydrophobicContact CG-CG 3.88Å; L45-L102 HydrophobicContact CD1-CD2 4.49Å |
| 46 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 177.3 | 179.8 | 58.9 | 0 | 0 | 0 | 112 | A42 T43 R50 G72 V74 A84 A89 | A42-L46 HydrophobicContact CB-CD2 3.93Å; A42-L46 HydrophobicContact CB-CG 4.5Å; T43-L46 PolarHBondContact O-N 3.19Å; T43-L46 WeakPolarHBondContact OG1-CB 3.47Å; T43-L46 PolarHBondContact OG1-N 3.39Å; L46-R50 VanDerWaalsContact O-CB 3.31Å; L46-R50 WeakPolarHBondContact O-CB 3.44Å; L46-R50 PolarHBondContact O-N 3.01Å; L46-G72 VanDerWaalsContact CD2-CA 3.43Å; L46-V74 HydrophobicContact CD1-CG1 3.79Å; L46-V74 HydrophobicContact CD2-CG1 3.7Å; L46-V74 HydrophobicContact CG-CG1 3.65Å; L46-A84 VanDerWaalsContact CD1-O 3.32Å; L46-A84 WeakPolarHBondContact CD1-O 3.32Å; L46-A89 HydrophobicContact CD1-CB 3.64Å |
| 47 | M | 97.9 | Very high | 97 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.03 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.8 | -44.1 | 176.2 | -68.1 | -59.2 | 89.1 | 0 | 0 | 112 | F8 R12 A42 T43 P44 L45 A49 R50 Y51 V74 | F8-M47 HydrophobicContact CD2-CG 4.1Å; F8-M47 HydrophobicContact CE2-CG 3.34Å; F8-M47 HydrophobicContact CE2-SD 4.14Å; F8-M47 HydrophobicContact CZ-CG 3.65Å; F8-M47 HydrophobicContact CZ-SD 3.96Å; R12-M47 HydrophobicContact CB-CB 4.02Å; R12-M47 HydrophobicContact CB-CG 4.4Å; R12-M47 HydrophobicContact CG-CB 4.39Å; A42-M47 HydrophobicContact CB-CE 3.39Å; A42-M47 HydrophobicContact CB-CG 4.1Å; A42-M47 HydrophobicContact CB-SD 4.03Å; T43-M47 PolarHBondContact O-N 3.48Å; T43-M47 VanDerWaalsContact O-N 3.08Å; P44-M47 PolarHBondContact O-N 3.38Å; L45-M47 VanDerWaalsContact C-N 3.33Å; L45-M47 PolarHBondContact O-N 2.89Å; M47-A49 VanDerWaalsContact C-N 3.26Å; M47-A49 PolarHBondContact O-N 3.4Å; M47-R50 PolarHBondContact O-N 3.14Å; M47-Y51 VanDerWaalsContact O-CD2 3.28Å; M47-Y51 WeakPolarHBondContact O-CD2 3.34Å; M47-Y51 PolarHBondContact O-N 3.07Å; M47-Y51 HydrophobicContact SD-CE2 4.24Å; M47-V74 HydrophobicContact CE-CG1 3.75Å |
| 48 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.9 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P44 L45 G52 H53 M56 V57 L60 | P44-A48 WeakPolarHBondContact O-CB 3.49Å; P44-A48 PolarHBondContact O-N 3.06Å; L45-A48 PolarHBondContact O-N 2.97Å; A48-G52 PolarHBondContact O-N 3.36Å; A48-H53 PolarHBondContact O-N 2.81Å; A48-M56 HydrophobicContact CB-CB 4.02Å; A48-M56 HydrophobicContact CB-CG 3.7Å; A48-V57 HydrophobicContact CB-CG2 3.74Å; A48-L60 HydrophobicContact CB-CD1 4.16Å |
| 49 | A | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.9 | -45.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | L45 M47 Y51 G52 V57 P86 A90 H95 V98 L102 | L45-A49 VanDerWaalsContact O-CB 3.3Å; L45-A49 WeakPolarHBondContact O-CB 3.5Å; L45-A49 PolarHBondContact O-N 3.28Å; M47-A49 VanDerWaalsContact C-N 3.26Å; M47-A49 PolarHBondContact O-N 3.4Å; A49-Y51 VanDerWaalsContact C-N 3.31Å; A49-Y51 PolarHBondContact O-N 2.9Å; A49-G52 PolarHBondContact O-N 3.3Å; A49-V57 HydrophobicContact CB-CG2 4.32Å; A49-P86 HydrophobicContact CB-CB 3.86Å; A49-A90 HydrophobicContact CB-CB 4.29Å; A49-H95 PolarHBondContact O-CD2 2.96Å; A49-V98 HydrophobicContact CB-CG1 4.03Å; A49-L102 HydrophobicContact CB-CD1 4.15Å |
| 50 | R | 98 | Very high | 97.7 | Very high | 43 Ų | 43 | 30.1 Ų | 30.1 | 16% | 0.162 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -37.9 | 177 | 177.1 | 176 | 171 | -160.2 | -11.6 | 113.3 | L46 M47 N75 F76 A89 A93 H95 | L46-R50 VanDerWaalsContact O-CB 3.31Å; L46-R50 WeakPolarHBondContact O-CB 3.44Å; L46-R50 PolarHBondContact O-N 3.01Å; M47-R50 PolarHBondContact O-N 3.14Å; R50-N75 PolarHBondContact NE-O 3.45Å; R50-N75 VanDerWaalsContact NH1-N 3.18Å; R50-N75 PolarHBondContact NH2-O 3.29Å; R50-F76 HydrophobicContact CG-CE2 4.44Å; R50-F76 HydrophobicContact CG-CZ 4.14Å; R50-A89 HydrophobicContact CB-CB 4.05Å; R50-A93 VanDerWaalsContact O-CB 3.23Å; R50-A93 WeakPolarHBondContact O-CB 3.47Å; R50-H95 PolarHBondContact O-CD2 2.89Å; R50-H95 PolarHBondContact O-NE2 3.3Å |
| 51 | Y | 98.2 | Very high | 98 | Very high | 102 Ų | 102 | 24.1 Ų | 24.1 | 40% | 0.4 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -97.5 | 2.2 | -176.6 | -72.2 | -74.1 | 0 | 0 | 0 | 113.7 | R12 M47 A49 H53 H95 | R12-Y51 HydrophobicContact CG-CD2 3.75Å; R12-Y51 HydrophobicContact CG-CE2 3.45Å; R12-Y51 VanDerWaalsContact CG-CE2 3.45Å; M47-Y51 VanDerWaalsContact O-CD2 3.28Å; M47-Y51 WeakPolarHBondContact O-CD2 3.34Å; M47-Y51 PolarHBondContact O-N 3.07Å; M47-Y51 HydrophobicContact SD-CE2 4.24Å; A49-Y51 VanDerWaalsContact C-N 3.31Å; A49-Y51 PolarHBondContact O-N 2.9Å; Y51-H53 WeakPolarHBondContact CB-NE2 3.44Å; Y51-H95 VanDerWaalsContact C-NE2 3.33Å |
| 52 | G | 98.4 | Very high | 98.1 | Very high | 24 Ų | 24 | 28 Ų | 28 | 25% | 0.247 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 19.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A48 A49 L54 H95 | A48-G52 PolarHBondContact O-N 3.36Å; A49-G52 PolarHBondContact O-N 3.3Å; G52-L54 PolarHBondContact O-N 2.97Å; G52-H95 WeakPolarHBondContact CA-CD2 3.43Å; G52-H95 VanDerWaalsContact CA-CG 3.41Å; G52-H95 WeakPolarHBondContact CA-NE2 3.33Å; G52-H95 PolarHBondContact N-CD2 3.31Å; G52-H95 PolarHBondContact N-NE2 3.46Å |
| 53 | H | 98.6 | Very high | 98 | Very high | 47 Ų | 47 | 34.3 Ų | 34.3 | 22% | 0.218 | 17% | 0.165 | C | C | . | . | trans | -81.3 | 80.9 | -178.2 | -56.9 | -49.4 | 0 | 0 | 0 | 110.5 | A11 R12 G14 A48 Y51 D55 M56 V57 | A11-H53 PolarHBondContact O-CD2 3.35Å; A11-H53 VanDerWaalsContact O-CD2 3.27Å; R12-H53 PolarHBondContact O-CD2 3.06Å; R12-H53 PolarHBondContact O-NE2 3.14Å; G14-H53 VanDerWaalsContact CA-CD2 3.45Å; G14-H53 WeakPolarHBondContact CA-CD2 3.35Å; G14-H53 VanDerWaalsContact CA-CG 3.43Å; G14-H53 PolarHBondContact N-CD2 3.4Å; G14-H53 VanDerWaalsContact N-CD2 3.34Å; G14-H53 PolarHBondContact N-NE2 2.89Å; A48-H53 PolarHBondContact O-N 2.81Å; Y51-H53 WeakPolarHBondContact CB-NE2 3.44Å; H53-D55 PolarHBondContact O-N 2.83Å; H53-M56 HydrophobicContact CB-CB 3.64Å; H53-M56 WeakPolarHBondContact O-CB 3.31Å; H53-M56 PolarHBondContact O-N 3.18Å; H53-M56 VanDerWaalsContact O-N 3.17Å; H53-V57 WeakPolarHBondContact O-CG2 3.5Å; H53-V57 PolarHBondContact O-N 3.4Å | ||
| 54 | L | 98.7 | Very high | 97.9 | Very high | 48 Ų | 48 | 34.5 Ų | 34.5 | 25% | 0.251 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -55.3 | -48 | -175.2 | 178 | 64.7 | 0 | 0 | 0 | 113.1 | G52 M56 V57 E58 K97 V98 | G52-L54 PolarHBondContact O-N 2.97Å; L54-M56 VanDerWaalsContact C-N 3.27Å; L54-M56 PolarHBondContact O-N 3.39Å; L54-V57 WeakPolarHBondContact O-CB 3.3Å; L54-V57 PolarHBondContact O-N 2.93Å; L54-V57 VanDerWaalsContact O-N 3.12Å; L54-E58 HydrophobicContact CD1-CG 4.2Å; L54-E58 WeakPolarHBondContact CD1-OE1 3.46Å; L54-E58 HydrophobicContact CG-CG 4.5Å; L54-E58 WeakPolarHBondContact O-CG 3.08Å; L54-E58 PolarHBondContact O-N 3.02Å; L54-K97 HydrophobicContact CD1-CB 4.45Å; L54-K97 HydrophobicContact CD2-CB 4.01Å; L54-K97 HydrophobicContact CD2-CD 4.27Å; L54-V98 HydrophobicContact CB-CG2 4.23Å; L54-V98 HydrophobicContact CD1-CG2 4.32Å |
| 55 | D | 98.2 | Very high | 97.7 | Very high | 76 Ų | 76 | 39 Ų | 39 | 41% | 0.406 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.1 | -37.5 | 179.3 | 62.9 | -23.6 | 0 | 0 | 0 | 112.1 | L16 H53 F59 | L16-D55 HydrophobicContact CD2-CB 3.99Å; H53-D55 PolarHBondContact O-N 2.83Å; D55-F59 WeakPolarHBondContact O-CB 3.49Å; D55-F59 PolarHBondContact O-N 3.42Å |
| 56 | M | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.2 | -41.8 | 174 | -168.8 | 77.4 | 70.5 | 0 | 0 | 111.9 | A10 A11 K15 L16 L19 A48 H53 L54 L60 | A10-M56 WeakPolarHBondContact O-CE 3.33Å; A11-M56 HydrophobicContact CB-CG 4.25Å; A11-M56 HydrophobicContact CB-SD 4.41Å; K15-M56 VanDerWaalsContact C-CE 3.49Å; L16-M56 HydrophobicContact CB-CE 4.11Å; L16-M56 HydrophobicContact CB-SD 4.41Å; L16-M56 HydrophobicContact CD1-SD 4.07Å; L16-M56 VanDerWaalsContact N-CE 3.27Å; L19-M56 HydrophobicContact CB-SD 4.2Å; L19-M56 HydrophobicContact CD2-SD 3.36Å; L19-M56 WeakPolarHBondContact CD2-SD 3.41Å; L19-M56 HydrophobicContact CG-SD 4.4Å; A48-M56 HydrophobicContact CB-CB 4.02Å; A48-M56 HydrophobicContact CB-CG 3.7Å; H53-M56 HydrophobicContact CB-CB 3.64Å; H53-M56 WeakPolarHBondContact O-CB 3.31Å; H53-M56 PolarHBondContact O-N 3.18Å; H53-M56 VanDerWaalsContact O-N 3.17Å; L54-M56 VanDerWaalsContact C-N 3.27Å; L54-M56 PolarHBondContact O-N 3.39Å; M56-L60 HydrophobicContact CG-CD1 4.07Å; M56-L60 WeakPolarHBondContact O-CB 3.5Å; M56-L60 WeakPolarHBondContact O-CG 3.35Å; M56-L60 PolarHBondContact O-N 3.23Å |
| 57 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -51.4 | 177.3 | 167.8 | 0 | 0 | 0 | 0 | 110.2 | L45 A48 A49 H53 L54 F59 L60 L61 V98 L102 | L45-V57 HydrophobicContact CD1-CB 4.42Å; L45-V57 HydrophobicContact CD1-CG1 4.05Å; L45-V57 HydrophobicContact CD1-CG2 4.33Å; A48-V57 HydrophobicContact CB-CG2 3.74Å; A49-V57 HydrophobicContact CB-CG2 4.32Å; H53-V57 WeakPolarHBondContact O-CG2 3.5Å; H53-V57 PolarHBondContact O-N 3.4Å; L54-V57 WeakPolarHBondContact O-CB 3.3Å; L54-V57 PolarHBondContact O-N 2.93Å; L54-V57 VanDerWaalsContact O-N 3.12Å; V57-F59 PolarHBondContact O-N 3.16Å; V57-L60 PolarHBondContact O-N 3.01Å; V57-L61 HydrophobicContact CG1-CD1 3.72Å; V57-L61 VanDerWaalsContact O-CG 3.29Å; V57-L61 WeakPolarHBondContact O-CG 3.3Å; V57-L61 PolarHBondContact O-N 3.24Å; V57-V98 HydrophobicContact CG1-CG1 4.47Å; V57-V98 HydrophobicContact CG2-CG1 4.06Å; V57-L102 HydrophobicContact CG1-CD2 4.03Å; V57-L102 HydrophobicContact CG1-CG 4.24Å |
| 58 | E | 98.5 | Very high | 97.5 | Very high | 67 Ų | 67 | 43.8 Ų | 43.8 | 31% | 0.313 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.7 | -46.7 | 177.7 | -71 | 172.2 | 170.1 | 0 | 0 | 110.9 | L54 L60 L61 E62 S101 | L54-E58 HydrophobicContact CD1-CG 4.2Å; L54-E58 WeakPolarHBondContact CD1-OE1 3.46Å; L54-E58 HydrophobicContact CG-CG 4.5Å; L54-E58 WeakPolarHBondContact O-CG 3.08Å; L54-E58 PolarHBondContact O-N 3.02Å; E58-L60 PolarHBondContact O-N 3.41Å; E58-L61 PolarHBondContact O-N 2.97Å; E58-E62 VanDerWaalsContact O-CB 3.28Å; E58-E62 WeakPolarHBondContact O-CB 3.45Å; E58-E62 VanDerWaalsContact O-CG 3.31Å; E58-E62 WeakPolarHBondContact O-CG 3.47Å; E58-E62 PolarHBondContact O-N 3.48Å; E58-S101 WeakPolarHBondContact CG-OG 3.37Å |
| 59 | F | 98 | Very high | 97.4 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 17% | 0.171 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | 176 | 175.2 | -100 | 0 | 0 | 0 | 112.9 | L16 L19 T20 L23 D55 V57 L61 Q63 C64 | L16-F59 HydrophobicContact CD1-CB 3.6Å; L16-F59 HydrophobicContact CD1-CD1 3.56Å; L16-F59 HydrophobicContact CD1-CD2 4.02Å; L16-F59 HydrophobicContact CD1-CE1 4.24Å; L16-F59 HydrophobicContact CD1-CG 3.43Å; L16-F59 VanDerWaalsContact CD1-CG 3.43Å; L19-F59 HydrophobicContact CD2-CD1 3.87Å; L19-F59 HydrophobicContact CD2-CE1 3.79Å; L19-F59 HydrophobicContact CG-CE1 4.17Å; T20-F59 HydrophobicContact CG2-CD2 4.21Å; T20-F59 HydrophobicContact CG2-CE1 4.13Å; T20-F59 HydrophobicContact CG2-CE2 3.57Å; T20-F59 HydrophobicContact CG2-CZ 3.53Å; L23-F59 HydrophobicContact CD1-CE1 4.16Å; D55-F59 WeakPolarHBondContact O-CB 3.49Å; D55-F59 PolarHBondContact O-N 3.42Å; V57-F59 PolarHBondContact O-N 3.16Å; F59-L61 VanDerWaalsContact C-N 3.33Å; F59-L61 PolarHBondContact O-N 3.19Å; F59-Q63 HydrophobicContact CD2-CB 3.79Å; F59-Q63 HydrophobicContact CD2-CG 3.7Å; F59-Q63 HydrophobicContact CE2-CB 3.69Å; F59-Q63 HydrophobicContact CE2-CG 3.94Å; F59-Q63 HydrophobicContact CG-CB 4.5Å; F59-Q63 HydrophobicContact CZ-CB 4.35Å; F59-Q63 WeakPolarHBondContact O-CA 3.49Å; F59-Q63 VanDerWaalsContact O-CB 3.32Å; F59-Q63 WeakPolarHBondContact O-CB 3.35Å; F59-Q63 PolarHBondContact O-N 2.73Å; F59-C64 WeakPolarHBondContact CE1-SG 3.42Å; F59-C64 PolarHBondContact O-N 3.3Å |
| 60 | L | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.7 | -37.4 | -180 | -75.6 | 170.3 | 0 | 0 | 0 | 112 | A11 L19 I35 P44 L45 A48 M56 V57 E58 C64 S65 A66 | A11-L60 HydrophobicContact CB-CD1 4.43Å; L19-L60 HydrophobicContact CD2-CD2 3.87Å; L19-L60 HydrophobicContact CD2-CG 4.32Å; I35-L60 HydrophobicContact CB-CD2 4.49Å; I35-L60 HydrophobicContact CG2-CD2 3.89Å; P44-L60 HydrophobicContact CB-CD1 4.11Å; P44-L60 HydrophobicContact CB-CD2 4.41Å; L45-L60 HydrophobicContact CB-CD1 4.23Å; L45-L60 HydrophobicContact CD1-CB 4.26Å; L45-L60 HydrophobicContact CD1-CD1 4.45Å; A48-L60 HydrophobicContact CB-CD1 4.16Å; M56-L60 HydrophobicContact CG-CD1 4.07Å; M56-L60 WeakPolarHBondContact O-CB 3.5Å; M56-L60 WeakPolarHBondContact O-CG 3.35Å; M56-L60 PolarHBondContact O-N 3.23Å; V57-L60 PolarHBondContact O-N 3.01Å; E58-L60 PolarHBondContact O-N 3.41Å; L60-C64 HydrophobicContact CD2-CB 4.44Å; L60-C64 CarbonylContact O-C 3.51Å; L60-C64 WeakPolarHBondContact O-CB 3.37Å; L60-S65 PolarHBondContact O-N 3.38Å; L60-A66 HydrophobicContact CB-CB 4.08Å; L60-A66 WeakPolarHBondContact O-CB 3.2Å; L60-A66 PolarHBondContact O-N 3.19Å |
| 61 | L | 97.6 | Very high | 97 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 10% | 0.099 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -75.3 | -49.9 | 179.3 | -67.7 | 168.7 | 0 | 0 | 0 | 111.8 | L45 V57 E58 F59 S65 I68 L102 H105 | L45-L61 HydrophobicContact CD1-CD1 4.49Å; L45-L61 HydrophobicContact CD1-CD2 4.22Å; L45-L61 HydrophobicContact CD1-CG 4.09Å; L45-L61 HydrophobicContact CD2-CD2 3.73Å; L45-L61 HydrophobicContact CD2-CG 4.5Å; V57-L61 HydrophobicContact CG1-CD1 3.72Å; V57-L61 VanDerWaalsContact O-CG 3.29Å; V57-L61 WeakPolarHBondContact O-CG 3.3Å; V57-L61 PolarHBondContact O-N 3.24Å; E58-L61 PolarHBondContact O-N 2.97Å; F59-L61 VanDerWaalsContact C-N 3.33Å; F59-L61 PolarHBondContact O-N 3.19Å; L61-S65 WeakPolarHBondContact O-CA 3.34Å; L61-S65 PolarHBondContact O-N 3.49Å; L61-I68 HydrophobicContact CD1-CD1 4.37Å; L61-I68 HydrophobicContact CD2-CB 4.06Å; L61-I68 HydrophobicContact CD2-CD1 3.97Å; L61-I68 HydrophobicContact CD2-CG1 4.03Å; L61-L102 HydrophobicContact CD1-CD2 4.05Å; L61-H105 HydrophobicContact CD1-CB 3.88Å |
| 62 | E | 96.6 | Very high | 96.9 | Very high | 106 Ų | 106 | 42.6 Ų | 42.6 | 50% | 0.495 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -82.4 | -40.1 | -170.3 | -63 | 174.3 | -176.2 | 0 | 0 | 113.1 | E58 H105 | E58-E62 VanDerWaalsContact O-CB 3.28Å; E58-E62 WeakPolarHBondContact O-CB 3.45Å; E58-E62 VanDerWaalsContact O-CG 3.31Å; E58-E62 WeakPolarHBondContact O-CG 3.47Å; E58-E62 PolarHBondContact O-N 3.48Å; E62-H105 VanDerWaalsContact CG-NE2 3.32Å; E62-H105 WeakPolarHBondContact CG-NE2 3.22Å; E62-H105 IonicContact OE1-CE1 2.61Å; E62-H105 IonicContact OE1-NE2 2.7Å; E62-H105 PolarHBondContact OE1-NE2 3.26Å |
| 63 | Q | 94.7 | Very high | 96.9 | Very high | 133 Ų | 133 | 42.4 Ų | 42.4 | 62% | 0.621 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -30 | -173 | -55 | -58.8 | -39 | 0 | 0 | 112.8 | F59 | F59-Q63 HydrophobicContact CD2-CB 3.79Å; F59-Q63 HydrophobicContact CD2-CG 3.7Å; F59-Q63 HydrophobicContact CE2-CB 3.69Å; F59-Q63 HydrophobicContact CE2-CG 3.94Å; F59-Q63 HydrophobicContact CG-CB 4.5Å; F59-Q63 HydrophobicContact CZ-CB 4.35Å; F59-Q63 WeakPolarHBondContact O-CA 3.49Å; F59-Q63 VanDerWaalsContact O-CB 3.32Å; F59-Q63 WeakPolarHBondContact O-CB 3.35Å; F59-Q63 PolarHBondContact O-N 2.73Å |
| 64 | C | 95.4 | Very high | 96.8 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 7% | 0.068 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -8.7 | -178.7 | -57 | 0 | 0 | 0 | 0 | 113.4 | V31 I35 F59 L60 A66 | V31-C64 HydrophobicContact CG1-CB 3.83Å; I35-C64 HydrophobicContact CD1-CB 3.58Å; I35-C64 WeakPolarHBondContact CD1-O 3.08Å; I35-C64 HydrophobicContact CG2-CB 4.19Å; F59-C64 WeakPolarHBondContact CE1-SG 3.42Å; F59-C64 PolarHBondContact O-N 3.3Å; L60-C64 HydrophobicContact CD2-CB 4.44Å; L60-C64 CarbonylContact O-C 3.51Å; L60-C64 WeakPolarHBondContact O-CB 3.37Å; C64-A66 VanDerWaalsContact C-N 3.27Å; C64-A66 PolarHBondContact O-N 3.34Å |
| 65 | S | 94.2 | Very high | 96.7 | Very high | 95 Ų | 95 | 41.1 Ų | 41.1 | 66% | 0.664 | 23% | 0.229 | S | C | * | . | trans | 55.6 | 39.4 | -175.2 | -54.6 | 0 | 0 | 0 | 0 | 113.2 | L60 L61 S67 | L60-S65 PolarHBondContact O-N 3.38Å; L61-S65 WeakPolarHBondContact O-CA 3.34Å; L61-S65 PolarHBondContact O-N 3.49Å; S65-S67 PolarHBondContact O-N 3.5Å | ||
| 66 | A | 96 | Very high | 96.5 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | trans | -59.9 | 132 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | I35 L45 L60 C64 I68 | I35-A66 HydrophobicContact CD1-CB 3.92Å; I35-A66 HydrophobicContact CG1-CB 4.45Å; L45-A66 HydrophobicContact CB-CB 4.34Å; L45-A66 HydrophobicContact CD2-CB 4.1Å; L60-A66 HydrophobicContact CB-CB 4.08Å; L60-A66 WeakPolarHBondContact O-CB 3.2Å; L60-A66 PolarHBondContact O-N 3.19Å; C64-A66 VanDerWaalsContact C-N 3.27Å; C64-A66 PolarHBondContact O-N 3.34Å; A66-I68 PolarHBondContact O-N 3.13Å | ||
| 67 | S | 96.2 | Very high | 96.1 | Very high | 75 Ų | 75 | 46.5 Ų | 46.5 | 52% | 0.524 | 26% | 0.256 | S | S | . | . | trans | -67.7 | 116 | 177.5 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | S65 E69 V70 | S65-S67 PolarHBondContact O-N 3.5Å; S67-E69 VanDerWaalsContact C-N 3.31Å; S67-E69 PolarHBondContact O-N 3.38Å; S67-V70 PolarHBondContact O-N 3.36Å; S67-V70 WeakPolarHBondContact OG-CG2 3.4Å | ||
| 68 | I | 97.3 | Very high | 95.7 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -26.4 | -170.2 | -162.9 | 160.8 | 0 | 0 | 0 | 114.3 | L61 A66 P86 L102 H105 A107 | L61-I68 HydrophobicContact CD1-CD1 4.37Å; L61-I68 HydrophobicContact CD2-CB 4.06Å; L61-I68 HydrophobicContact CD2-CD1 3.97Å; L61-I68 HydrophobicContact CD2-CG1 4.03Å; A66-I68 PolarHBondContact O-N 3.13Å; I68-P86 WeakPolarHBondContact O-CD 3.47Å; I68-P86 WeakPolarHBondContact O-CG 3.45Å; I68-L102 HydrophobicContact CD1-CD2 4.02Å; I68-L102 VanDerWaalsContact CD1-O 3.26Å; I68-L102 WeakPolarHBondContact CD1-O 3.37Å; I68-L102 HydrophobicContact CG1-CD2 3.96Å; I68-H105 HydrophobicContact CD1-CB 3.69Å; I68-A107 HydrophobicContact CD1-CB 3.69Å; I68-A107 HydrophobicContact CG1-CB 3.92Å |
| 69 | E | 97 | Very high | 95.5 | Very high | 58 Ų | 58 | 53.5 Ų | 53.5 | 27% | 0.271 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -1.1 | -175 | -63.6 | -53.9 | 146.8 | 0 | 0 | 114.9 | S67 G71 A107 S108 N111 | S67-E69 VanDerWaalsContact C-N 3.31Å; S67-E69 PolarHBondContact O-N 3.38Å; E69-G71 PolarHBondContact O-N 3.28Å; E69-A107 VanDerWaalsContact OE1-CA 3.27Å; E69-A107 WeakPolarHBondContact OE1-CA 3.34Å; E69-S108 PolarHBondContact OE1-N 3.02Å; E69-N111 WeakPolarHBondContact OE2-CB 3.33Å; E69-N111 PolarHBondContact OE2-ND2 2.82Å |
| 70 | V | 94.9 | Very high | 95.4 | Very high | 44 Ų | 44 | 55.1 Ų | 55.1 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | trans | -69.7 | 101.8 | -174.8 | -178.5 | 0 | 0 | 0 | 0 | 110 | T43 S67 | T43-V70 HydrophobicContact CG2-CB 4.28Å; T43-V70 HydrophobicContact CG2-CG1 3.7Å; S67-V70 PolarHBondContact O-N 3.36Å; S67-V70 WeakPolarHBondContact OG-CG2 3.4Å | ||
| 71 | G | 93.7 | Very high | 95.3 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 17% | 0.165 | 33% | 0.33 | C | S | . | . | trans | -69.5 | 150.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K38 E69 A84 | K38-G71 WeakPolarHBondContact CE-O 3.41Å; K38-G71 PolarHBondContact NZ-O 3.36Å; E69-G71 PolarHBondContact O-N 3.28Å; G71-A84 CarbonylContact C-O 3.52Å; G71-A84 VanDerWaalsContact CA-O 3.24Å; G71-A84 WeakPolarHBondContact CA-O 3.42Å | ||
| 72 | G | 96.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -173.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | G41 L46 G83 A84 | G41-G72 CarbonylContact O-C 3.45Å; G41-G72 WeakPolarHBondContact O-CA 3.3Å; L46-G72 VanDerWaalsContact CD2-CA 3.43Å; G72-G83 CarbonylContact O-C 3.53Å; G72-G83 PolarHBondContact O-N 3.23Å; G72-G83 VanDerWaalsContact O-N 3.09Å; G72-A84 PolarHBondContact N-O 3.12Å; G72-A84 PolarHBondContact O-N 3.08Å |
| 73 | S | 97.7 | Very high | 95.3 | Very high | 20 Ų | 20 | 55.8 Ų | 55.8 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.1 | -179.7 | -39.4 | 0 | 0 | 0 | 0 | 110 | G41 I81 E82 | G41-S73 PolarHBondContact O-N 3.16Å; S73-I81 WeakPolarHBondContact CA-O 3.37Å; S73-E82 WeakPolarHBondContact CB-OE2 3.07Å; S73-E82 VanDerWaalsContact OG-CD 3.29Å; S73-E82 PolarHBondContact OG-OE1 3.16Å; S73-E82 PolarHBondContact OG-OE2 3.17Å |
| 74 | V | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 150 | 176.2 | -65 | 0 | 0 | 0 | 0 | 110.7 | L46 M47 F76 T80 I81 A84 W88 A89 | L46-V74 HydrophobicContact CD1-CG1 3.79Å; L46-V74 HydrophobicContact CD2-CG1 3.7Å; L46-V74 HydrophobicContact CG-CG1 3.65Å; M47-V74 HydrophobicContact CE-CG1 3.75Å; V74-F76 HydrophobicContact CB-CD2 4.42Å; V74-F76 HydrophobicContact CB-CE2 4.09Å; V74-F76 HydrophobicContact CG2-CD2 4.01Å; V74-F76 HydrophobicContact CG2-CE2 3.77Å; V74-T80 CarbonylContact O-C 3.47Å; V74-T80 WeakPolarHBondContact O-CA 3.45Å; V74-I81 HydrophobicContact CG2-CB 4.03Å; V74-I81 PolarHBondContact N-O 3.26Å; V74-I81 PolarHBondContact O-N 3.37Å; V74-A84 HydrophobicContact CG1-CB 4.47Å; V74-A84 HydrophobicContact CG2-CB 3.57Å; V74-W88 HydrophobicContact CG2-CE3 4.24Å; V74-W88 HydrophobicContact CG2-CZ3 3.78Å; V74-A89 HydrophobicContact CG1-CB 4.33Å |
| 75 | N | 95.7 | Very high | 95.6 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.6 | -179.5 | -67.3 | 70.8 | 0 | 0 | 0 | 111.2 | R50 E79 T80 | R50-N75 PolarHBondContact NE-O 3.45Å; R50-N75 VanDerWaalsContact NH1-N 3.18Å; R50-N75 PolarHBondContact NH2-O 3.29Å; N75-E79 CarbonylContact C-O 3.34Å; N75-E79 WeakPolarHBondContact CA-O 3.34Å; N75-T80 PolarHBondContact ND2-OG1 2.87Å |
| 76 | F | 94.5 | Very high | 95.8 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 18% | 0.184 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 128.7 | 171.9 | -77.2 | -96.7 | 0 | 0 | 0 | 107.7 | R50 V74 G78 E79 W88 A92 A93 | R50-F76 HydrophobicContact CG-CE2 4.44Å; R50-F76 HydrophobicContact CG-CZ 4.14Å; V74-F76 HydrophobicContact CB-CD2 4.42Å; V74-F76 HydrophobicContact CB-CE2 4.09Å; V74-F76 HydrophobicContact CG2-CD2 4.01Å; V74-F76 HydrophobicContact CG2-CE2 3.77Å; F76-G78 PolarHBondContact O-N 2.78Å; F76-E79 PolarHBondContact N-O 2.96Å; F76-E79 PolarHBondContact O-N 2.86Å; F76-W88 HydrophobicContact CD2-CH2 4.35Å; F76-W88 AromaticContact CD2-CZ3 3.97Å; F76-W88 HydrophobicContact CD2-CZ3 3.97Å; F76-W88 AromaticContact CE2-CZ3 3.75Å; F76-W88 HydrophobicContact CE2-CZ3 3.75Å; F76-A92 HydrophobicContact CD1-CB 4.19Å; F76-A92 HydrophobicContact CE1-CB 3.59Å; F76-A92 HydrophobicContact CE2-CB 4.19Å; F76-A92 HydrophobicContact CZ-CB 3.6Å; F76-A93 HydrophobicContact CE1-CB 4.1Å; F76-A93 HydrophobicContact CZ-CB 4.21Å |
| 77 | D | 90.8 | Very high | 95.9 | Very high | 147 Ų | 147 | 44.2 Ų | 44.2 | 79% | 0.786 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 34.2 | 179.2 | -58.3 | -27.3 | 0 | 0 | 0 | 115.8 | E79 | D77-E79 VanDerWaalsContact C-N 3.32Š|
| 78 | G | 90.4 | Very high | 96.1 | Very high | 75 Ų | 75 | 41.4 Ų | 41.4 | 77% | 0.773 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | -3.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | F76 | F76-G78 PolarHBondContact O-N 2.78Š|
| 79 | E | 92.7 | Very high | 96.1 | Very high | 139 Ų | 139 | 40.2 Ų | 40.2 | 65% | 0.65 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 135.7 | 174.9 | -61 | -169.4 | 173.6 | 0 | 0 | 111.3 | N75 F76 D77 | N75-E79 CarbonylContact C-O 3.34Å; N75-E79 WeakPolarHBondContact CA-O 3.34Å; F76-E79 PolarHBondContact N-O 2.96Å; F76-E79 PolarHBondContact O-N 2.86Å; D77-E79 VanDerWaalsContact C-N 3.32Å |
| 80 | T | 96.1 | Very high | 96.2 | Very high | 73 Ų | 73 | 37.5 Ų | 37.5 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 123.6 | 172 | -56 | 0 | 0 | 0 | 0 | 109.9 | V74 N75 E82 | V74-T80 CarbonylContact O-C 3.47Å; V74-T80 WeakPolarHBondContact O-CA 3.45Å; N75-T80 PolarHBondContact ND2-OG1 2.87Å; T80-E82 VanDerWaalsContact CG2-OE1 3.28Å; T80-E82 WeakPolarHBondContact CG2-OE1 3.48Å |
| 81 | I | 96.5 | Very high | 96.4 | Very high | 33 Ų | 33 | 35.4 Ų | 35.4 | 17% | 0.169 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.7 | 176.1 | -50.4 | -58.7 | 0 | 0 | 0 | 108.7 | S73 V74 A84 W88 T113 | S73-I81 WeakPolarHBondContact CA-O 3.37Å; V74-I81 HydrophobicContact CG2-CB 4.03Å; V74-I81 PolarHBondContact N-O 3.26Å; V74-I81 PolarHBondContact O-N 3.37Å; I81-A84 HydrophobicContact CG2-CB 4.47Å; I81-W88 HydrophobicContact CB-CH2 4.2Å; I81-W88 HydrophobicContact CB-CZ3 4.37Å; I81-W88 HydrophobicContact CG1-CH2 3.92Å; I81-W88 HydrophobicContact CG1-CZ3 4.43Å; I81-W88 HydrophobicContact CG2-CH2 3.87Å; I81-W88 HydrophobicContact CG2-CZ2 4.15Å; I81-W88 HydrophobicContact CG2-CZ3 4.17Å; I81-T113 HydrophobicContact CG2-CG2 3.56Å |
| 82 | E | 96.6 | Very high | 96.6 | Very high | 87 Ų | 87 | 34.8 Ų | 34.8 | 41% | 0.407 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 143.3 | -176.3 | -66.4 | -61.6 | 157.8 | 0 | 0 | 113 | S73 T80 A84 T113 L114 | S73-E82 WeakPolarHBondContact CB-OE2 3.07Å; S73-E82 VanDerWaalsContact OG-CD 3.29Å; S73-E82 PolarHBondContact OG-OE1 3.16Å; S73-E82 PolarHBondContact OG-OE2 3.17Å; T80-E82 VanDerWaalsContact CG2-OE1 3.28Å; T80-E82 WeakPolarHBondContact CG2-OE1 3.48Å; E82-A84 VanDerWaalsContact C-N 3.29Å; E82-A84 PolarHBondContact O-N 2.94Å; E82-T113 WeakPolarHBondContact O-CB 3.39Å; E82-L114 HydrophobicContact CB-CB 4.46Å; E82-L114 HydrophobicContact CB-CD1 3.7Å; E82-L114 HydrophobicContact CB-CG 4.13Å; E82-L114 PolarHBondContact O-N 3.1Å |
| 83 | G | 97.2 | Very high | 96.7 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 68.4 | 22.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G72 P85 | G72-G83 CarbonylContact O-C 3.53Å; G72-G83 PolarHBondContact O-N 3.23Å; G72-G83 VanDerWaalsContact O-N 3.09Å; G83-P85 WeakPolarHBondContact O-CD 3.32Å |
| 84 | A | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 120.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L46 G71 G72 V74 I81 E82 W88 T113 | L46-A84 VanDerWaalsContact CD1-O 3.32Å; L46-A84 WeakPolarHBondContact CD1-O 3.32Å; G71-A84 CarbonylContact C-O 3.52Å; G71-A84 VanDerWaalsContact CA-O 3.24Å; G71-A84 WeakPolarHBondContact CA-O 3.42Å; G72-A84 PolarHBondContact N-O 3.12Å; G72-A84 PolarHBondContact O-N 3.08Å; V74-A84 HydrophobicContact CG1-CB 4.47Å; V74-A84 HydrophobicContact CG2-CB 3.57Å; I81-A84 HydrophobicContact CG2-CB 4.47Å; E82-A84 VanDerWaalsContact C-N 3.29Å; E82-A84 PolarHBondContact O-N 2.94Å; A84-W88 HydrophobicContact CB-CD2 4.18Å; A84-W88 HydrophobicContact CB-CE3 3.64Å; A84-W88 HydrophobicContact CB-CZ3 4.24Å; A84-T113 HydrophobicContact CB-CG2 4.03Å |
| 85 | P | 98.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.013 | 23% | 0.233 | C | C | . | . | trans | -71.6 | 158.1 | 171.9 | 28.1 | -32.2 | 0 | 0 | 0 | 111.3 | G83 L87 W88 A89 N111 | G83-P85 WeakPolarHBondContact O-CD 3.32Å; P85-L87 VanDerWaalsContact C-N 3.26Å; P85-L87 PolarHBondContact O-N 3.02Å; P85-W88 HydrophobicContact CG-CB 3.74Å; P85-W88 VanDerWaalsContact O-CB 3.32Å; P85-W88 WeakPolarHBondContact O-CB 3.35Å; P85-W88 PolarHBondContact O-N 3.27Å; P85-A89 PolarHBondContact O-N 2.8Å; P85-A89 VanDerWaalsContact O-N 3.13Å; P85-N111 HydrophobicContact CG-CB 4.31Å | ||
| 86 | P | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -50.4 | -41.6 | 177.8 | -29.6 | 35.8 | 0 | 0 | 0 | 114.2 | L45 A49 I68 W88 A89 A90 L102 | L45-P86 HydrophobicContact CD2-CB 4.44Å; L45-P86 HydrophobicContact CD2-CG 3.9Å; L45-P86 HydrophobicContact CG-CB 4.17Å; L45-P86 HydrophobicContact CG-CG 3.88Å; A49-P86 HydrophobicContact CB-CB 3.86Å; I68-P86 WeakPolarHBondContact O-CD 3.47Å; I68-P86 WeakPolarHBondContact O-CG 3.45Å; P86-W88 VanDerWaalsContact C-N 3.33Å; P86-W88 PolarHBondContact O-N 3.15Å; P86-A89 PolarHBondContact O-N 2.79Å; P86-A90 PolarHBondContact O-N 3.26Å; P86-L102 HydrophobicContact CB-CD1 4.09Å; P86-L102 HydrophobicContact CB-CD2 4.02Å |
| 87 | L | 98.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 177.9 | -179 | 62.3 | 0 | 0 | 0 | 112.1 | P85 S91 V99 L102 L103 A107 P119 L135 | P85-L87 VanDerWaalsContact C-N 3.26Å; P85-L87 PolarHBondContact O-N 3.02Å; L87-S91 VanDerWaalsContact O-CB 3.3Å; L87-S91 WeakPolarHBondContact O-CB 3.31Å; L87-S91 PolarHBondContact O-N 3.32Å; L87-S91 PolarHBondContact O-OG 2.93Å; L87-V99 HydrophobicContact CD1-CB 4.29Å; L87-V99 HydrophobicContact CD1-CG1 3.87Å; L87-V99 HydrophobicContact CD1-CG2 4.32Å; L87-L102 HydrophobicContact CB-CD1 4.36Å; L87-L102 HydrophobicContact CD1-CB 4.22Å; L87-L102 HydrophobicContact CD1-CD1 4.48Å; L87-L103 HydrophobicContact CD1-CG 4.12Å; L87-L103 HydrophobicContact CD2-CD2 3.74Å; L87-L103 HydrophobicContact CD2-CG 4.25Å; L87-A107 HydrophobicContact CB-CB 4.23Å; L87-A107 HydrophobicContact CD2-CB 4.08Å; L87-P119 HydrophobicContact CB-CG 4.33Å; L87-P119 HydrophobicContact CD2-CB 4.3Å; L87-P119 HydrophobicContact CD2-CG 3.91Å; L87-P119 HydrophobicContact CG-CB 3.94Å; L87-P119 HydrophobicContact CG-CG 3.84Å; L87-L135 HydrophobicContact CD1-CD2 4.35Å |
| 88 | W | 98.7 | Very high | 97.6 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -48.2 | 175.6 | -173.4 | 96.7 | 0 | 0 | 0 | 111.5 | V74 F76 I81 A84 P85 P86 A90 S91 A92 T113 S117 T118 P119 A122 | V74-W88 HydrophobicContact CG2-CE3 4.24Å; V74-W88 HydrophobicContact CG2-CZ3 3.78Å; F76-W88 HydrophobicContact CD2-CH2 4.35Å; F76-W88 AromaticContact CD2-CZ3 3.97Å; F76-W88 HydrophobicContact CD2-CZ3 3.97Å; F76-W88 AromaticContact CE2-CZ3 3.75Å; F76-W88 HydrophobicContact CE2-CZ3 3.75Å; I81-W88 HydrophobicContact CB-CH2 4.2Å; I81-W88 HydrophobicContact CB-CZ3 4.37Å; I81-W88 HydrophobicContact CG1-CH2 3.92Å; I81-W88 HydrophobicContact CG1-CZ3 4.43Å; I81-W88 HydrophobicContact CG2-CH2 3.87Å; I81-W88 HydrophobicContact CG2-CZ2 4.15Å; I81-W88 HydrophobicContact CG2-CZ3 4.17Å; A84-W88 HydrophobicContact CB-CD2 4.18Å; A84-W88 HydrophobicContact CB-CE3 3.64Å; A84-W88 HydrophobicContact CB-CZ3 4.24Å; P85-W88 HydrophobicContact CG-CB 3.74Å; P85-W88 VanDerWaalsContact O-CB 3.32Å; P85-W88 WeakPolarHBondContact O-CB 3.35Å; P85-W88 PolarHBondContact O-N 3.27Å; P86-W88 VanDerWaalsContact C-N 3.33Å; P86-W88 PolarHBondContact O-N 3.15Å; W88-A90 PolarHBondContact O-N 2.9Å; W88-S91 PolarHBondContact O-N 3.31Å; W88-A92 HydrophobicContact CE3-CB 4.4Å; W88-A92 HydrophobicContact CH2-CB 4.18Å; W88-A92 HydrophobicContact CZ3-CB 4.04Å; W88-A92 PolarHBondContact O-N 3.37Å; W88-T113 HydrophobicContact CD2-CG2 3.7Å; W88-T113 HydrophobicContact CE3-CG2 4.34Å; W88-T113 HydrophobicContact CG-CG2 3.9Å; W88-T113 HydrophobicContact CZ2-CG2 4.09Å; W88-S117 VanDerWaalsContact NE1-CB 3.3Å; W88-S117 PolarHBondContact NE1-O 3.24Å; W88-S117 PolarHBondContact NE1-OG 3.43Å; W88-T118 VanDerWaalsContact CD1-C 3.44Å; W88-T118 PolarHBondContact NE1-O 2.8Å; W88-P119 HydrophobicContact CB-CG 4.22Å; W88-A122 HydrophobicContact CD2-CB 4.21Å; W88-A122 HydrophobicContact CG-CB 4.48Å; W88-A122 HydrophobicContact CZ2-CB 3.85Å |
| 89 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L46 R50 V74 P85 P86 S91 A93 | L46-A89 HydrophobicContact CD1-CB 3.64Å; R50-A89 HydrophobicContact CB-CB 4.05Å; V74-A89 HydrophobicContact CG1-CB 4.33Å; P85-A89 PolarHBondContact O-N 2.8Å; P85-A89 VanDerWaalsContact O-N 3.13Å; P86-A89 PolarHBondContact O-N 2.79Å; A89-S91 VanDerWaalsContact C-N 3.29Å; A89-S91 PolarHBondContact O-N 3.01Å; A89-A93 VanDerWaalsContact O-CB 3.24Å; A89-A93 WeakPolarHBondContact O-CB 3.28Å; A89-A93 PolarHBondContact O-N 3.1Å |
| 90 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -34.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A49 P86 W88 G94 H95 V98 V99 L102 | A49-A90 HydrophobicContact CB-CB 4.29Å; P86-A90 PolarHBondContact O-N 3.26Å; W88-A90 PolarHBondContact O-N 2.9Å; A90-G94 PolarHBondContact O-N 3.19Å; A90-G94 VanDerWaalsContact O-N 3.14Å; A90-H95 PolarHBondContact O-N 2.97Å; A90-V98 HydrophobicContact CB-CB 4.17Å; A90-V98 HydrophobicContact CB-CG1 3.58Å; A90-V99 HydrophobicContact CB-CG2 3.86Å; A90-L102 HydrophobicContact CB-CD1 4.12Å |
| 91 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -72.5 | -43 | 179.9 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | L87 W88 A89 A93 G94 P119 H128 | L87-S91 VanDerWaalsContact O-CB 3.3Å; L87-S91 WeakPolarHBondContact O-CB 3.31Å; L87-S91 PolarHBondContact O-N 3.32Å; L87-S91 PolarHBondContact O-OG 2.93Å; W88-S91 PolarHBondContact O-N 3.31Å; A89-S91 VanDerWaalsContact C-N 3.29Å; A89-S91 PolarHBondContact O-N 3.01Å; S91-A93 VanDerWaalsContact C-N 3.34Å; S91-G94 PolarHBondContact O-N 3.45Å; S91-P119 WeakPolarHBondContact CB-O 3.32Å; S91-H128 PolarHBondContact O-CD2 3.43Å |
| 92 | A | 98.4 | Very high | 98.5 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 3% | 0.025 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.2 | -42.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F76 W88 G94 A122 H128 | F76-A92 HydrophobicContact CD1-CB 4.19Å; F76-A92 HydrophobicContact CE1-CB 3.59Å; F76-A92 HydrophobicContact CE2-CB 4.19Å; F76-A92 HydrophobicContact CZ-CB 3.6Å; W88-A92 HydrophobicContact CE3-CB 4.4Å; W88-A92 HydrophobicContact CH2-CB 4.18Å; W88-A92 HydrophobicContact CZ3-CB 4.04Å; W88-A92 PolarHBondContact O-N 3.37Å; A92-G94 VanDerWaalsContact C-N 3.31Å; A92-G94 PolarHBondContact O-N 3.33Å; A92-A122 HydrophobicContact CB-CB 3.92Å; A92-H128 PolarHBondContact O-CD2 3.06Å; A92-H128 PolarHBondContact O-NE2 2.95Å |
| 93 | A | 98.4 | Very high | 98.6 | Very high | 29 Ų | 29 | 21.7 Ų | 21.7 | 24% | 0.24 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -77.7 | -8.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | R50 F76 A89 S91 H95 | R50-A93 VanDerWaalsContact O-CB 3.23Å; R50-A93 WeakPolarHBondContact O-CB 3.47Å; F76-A93 HydrophobicContact CE1-CB 4.1Å; F76-A93 HydrophobicContact CZ-CB 4.21Å; A89-A93 VanDerWaalsContact O-CB 3.24Å; A89-A93 WeakPolarHBondContact O-CB 3.28Å; A89-A93 PolarHBondContact O-N 3.1Å; S91-A93 VanDerWaalsContact C-N 3.34Å; A93-H95 VanDerWaalsContact CB-CD2 3.5Å; A93-H95 WeakPolarHBondContact CB-CD2 3.48Å |
| 94 | G | 98.6 | Very high | 98.6 | Very high | 27 Ų | 27 | 26.4 Ų | 26.4 | 28% | 0.278 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 20.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A90 S91 A92 L96 H128 I131 | A90-G94 PolarHBondContact O-N 3.19Å; A90-G94 VanDerWaalsContact O-N 3.14Å; S91-G94 PolarHBondContact O-N 3.45Å; A92-G94 VanDerWaalsContact C-N 3.31Å; A92-G94 PolarHBondContact O-N 3.33Å; G94-L96 PolarHBondContact O-N 3.24Å; G94-H128 VanDerWaalsContact CA-CE1 3.4Å; G94-H128 WeakPolarHBondContact CA-CE1 3.22Å; G94-H128 WeakPolarHBondContact CA-ND1 3.31Å; G94-H128 WeakPolarHBondContact CA-NE2 3.28Å; G94-H128 PolarHBondContact N-NE2 3.28Å; G94-I131 VanDerWaalsContact C-CD1 3.45Å |
| 95 | H | 98.8 | Very high | 98.6 | Very high | 60 Ų | 60 | 29.7 Ų | 29.7 | 28% | 0.278 | 16% | 0.155 | S | C | . | . | trans | -92.8 | 75.9 | -176.2 | -60.9 | -46.2 | 0 | 0 | 0 | 112.7 | A49 R50 Y51 G52 A90 A93 K97 V98 V99 | A49-H95 PolarHBondContact O-CD2 2.96Å; R50-H95 PolarHBondContact O-CD2 2.89Å; R50-H95 PolarHBondContact O-NE2 3.3Å; Y51-H95 VanDerWaalsContact C-NE2 3.33Å; G52-H95 WeakPolarHBondContact CA-CD2 3.43Å; G52-H95 VanDerWaalsContact CA-CG 3.41Å; G52-H95 WeakPolarHBondContact CA-NE2 3.33Å; G52-H95 PolarHBondContact N-CD2 3.31Å; G52-H95 PolarHBondContact N-NE2 3.46Å; A90-H95 PolarHBondContact O-N 2.97Å; A93-H95 VanDerWaalsContact CB-CD2 3.5Å; A93-H95 WeakPolarHBondContact CB-CD2 3.48Å; H95-K97 VanDerWaalsContact C-N 3.34Å; H95-K97 PolarHBondContact O-N 3.48Å; H95-V98 HydrophobicContact CB-CB 3.96Å; H95-V98 HydrophobicContact CB-CG2 4.09Å; H95-V98 WeakPolarHBondContact O-CB 3.36Å; H95-V98 PolarHBondContact O-N 3.5Å; H95-V99 PolarHBondContact O-N 2.9Å | ||
| 96 | L | 98.8 | Very high | 98.6 | Very high | 54 Ų | 54 | 32.2 Ų | 32.2 | 28% | 0.283 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -51.4 | -46.5 | -175.6 | 178.3 | 62.4 | 0 | 0 | 0 | 113.8 | G94 V98 V99 Q100 E130 I131 Y134 | G94-L96 PolarHBondContact O-N 3.24Å; L96-V98 VanDerWaalsContact C-N 3.28Å; L96-V98 PolarHBondContact O-N 2.84Å; L96-V99 WeakPolarHBondContact O-CB 3.42Å; L96-V99 PolarHBondContact O-N 3.09Å; L96-Q100 HydrophobicContact CD1-CG 4.31Å; L96-Q100 HydrophobicContact CG-CG 4.49Å; L96-Q100 VanDerWaalsContact O-CG 3.31Å; L96-Q100 WeakPolarHBondContact O-CG 3.43Å; L96-Q100 PolarHBondContact O-N 3.39Å; L96-E130 HydrophobicContact CD2-CB 4.19Å; L96-I131 HydrophobicContact CB-CD1 4.46Å; L96-I131 HydrophobicContact CB-CG1 3.99Å; L96-I131 HydrophobicContact CD1-CG1 3.86Å; L96-Y134 HydrophobicContact CD1-CG 4.39Å |
| 97 | K | 98.8 | Very high | 98.6 | Very high | 144 Ų | 144 | 32.6 Ų | 32.6 | 63% | 0.626 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -63.1 | -35.1 | -179.7 | -65.9 | -175.2 | 176.5 | -178.2 | 0 | 112.8 | L54 H95 Q100 S101 | L54-K97 HydrophobicContact CD1-CB 4.45Å; L54-K97 HydrophobicContact CD2-CB 4.01Å; L54-K97 HydrophobicContact CD2-CD 4.27Å; H95-K97 VanDerWaalsContact C-N 3.34Å; H95-K97 PolarHBondContact O-N 3.48Å; K97-Q100 PolarHBondContact O-N 3.35Å; K97-S101 WeakPolarHBondContact O-CB 3.48Å; K97-S101 PolarHBondContact O-N 3.42Å |
| 98 | V | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.5 | -42 | 175.3 | 172 | 0 | 0 | 0 | 0 | 110.6 | A49 L54 V57 A90 H95 L96 Q100 S101 L102 | A49-V98 HydrophobicContact CB-CG1 4.03Å; L54-V98 HydrophobicContact CB-CG2 4.23Å; L54-V98 HydrophobicContact CD1-CG2 4.32Å; V57-V98 HydrophobicContact CG1-CG1 4.47Å; V57-V98 HydrophobicContact CG2-CG1 4.06Å; A90-V98 HydrophobicContact CB-CB 4.17Å; A90-V98 HydrophobicContact CB-CG1 3.58Å; H95-V98 HydrophobicContact CB-CB 3.96Å; H95-V98 HydrophobicContact CB-CG2 4.09Å; H95-V98 WeakPolarHBondContact O-CB 3.36Å; H95-V98 PolarHBondContact O-N 3.5Å; L96-V98 VanDerWaalsContact C-N 3.28Å; L96-V98 PolarHBondContact O-N 2.84Å; V98-Q100 VanDerWaalsContact C-N 3.3Å; V98-Q100 PolarHBondContact O-N 2.9Å; V98-S101 PolarHBondContact O-N 3.22Å; V98-L102 HydrophobicContact CG1-CD1 3.74Å; V98-L102 HydrophobicContact CG1-CG 4.25Å; V98-L102 WeakPolarHBondContact O-CB 3.48Å; V98-L102 VanDerWaalsContact O-CG 3.3Å; V98-L102 WeakPolarHBondContact O-CG 3.36Å; V98-L102 PolarHBondContact O-N 3.12Å |
| 99 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.5 | -45.8 | 173.2 | 168.2 | 0 | 0 | 0 | 0 | 111 | L87 A90 H95 L96 L102 L103 I131 Y134 L135 | L87-V99 HydrophobicContact CD1-CB 4.29Å; L87-V99 HydrophobicContact CD1-CG1 3.87Å; L87-V99 HydrophobicContact CD1-CG2 4.32Å; A90-V99 HydrophobicContact CB-CG2 3.86Å; H95-V99 PolarHBondContact O-N 2.9Å; L96-V99 WeakPolarHBondContact O-CB 3.42Å; L96-V99 PolarHBondContact O-N 3.09Å; V99-L102 PolarHBondContact O-N 3.28Å; V99-L103 HydrophobicContact CG1-CD1 4.32Å; V99-L103 PolarHBondContact O-N 3.31Å; V99-I131 HydrophobicContact CG1-CG2 4.32Å; V99-I131 HydrophobicContact CG2-CD1 4.18Å; V99-I131 HydrophobicContact CG2-CG2 4.18Å; V99-Y134 HydrophobicContact CG1-CD1 4.09Å; V99-L135 HydrophobicContact CG1-CD2 3.92Å; V99-L135 HydrophobicContact CG1-CG 4.41Å |
| 100 | Q | 98.8 | Very high | 98.6 | Very high | 64 Ų | 64 | 37.8 Ų | 37.8 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60 | -50.3 | 176.1 | -70.6 | 174 | -28.9 | 0 | 0 | 111.5 | L96 K97 V98 L102 L103 N104 Y134 | L96-Q100 HydrophobicContact CD1-CG 4.31Å; L96-Q100 HydrophobicContact CG-CG 4.49Å; L96-Q100 VanDerWaalsContact O-CG 3.31Å; L96-Q100 WeakPolarHBondContact O-CG 3.43Å; L96-Q100 PolarHBondContact O-N 3.39Å; K97-Q100 PolarHBondContact O-N 3.35Å; V98-Q100 VanDerWaalsContact C-N 3.3Å; V98-Q100 PolarHBondContact O-N 2.9Å; Q100-L102 PolarHBondContact O-N 3.18Å; Q100-L103 PolarHBondContact O-N 2.97Å; Q100-N104 WeakPolarHBondContact O-CB 3.21Å; Q100-N104 PolarHBondContact O-N 3.41Å; Q100-N104 PolarHBondContact O-ND2 3.46Å; Q100-Y134 HydrophobicContact CB-CE1 4.35Å; Q100-Y134 HydrophobicContact CG-CD1 4.25Å; Q100-Y134 HydrophobicContact CG-CD2 4.25Å; Q100-Y134 HydrophobicContact CG-CE1 3.78Å; Q100-Y134 HydrophobicContact CG-CE2 3.77Å; Q100-Y134 HydrophobicContact CG-CG 4.47Å |
| 101 | S | 98.7 | Very high | 98.5 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 5% | 0.049 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 179.4 | -179.3 | 0 | 0 | 0 | 0 | 112.1 | E58 K97 V98 L103 N104 H105 | E58-S101 WeakPolarHBondContact CG-OG 3.37Å; K97-S101 WeakPolarHBondContact O-CB 3.48Å; K97-S101 PolarHBondContact O-N 3.42Å; V98-S101 PolarHBondContact O-N 3.22Å; S101-L103 PolarHBondContact O-N 3.42Å; S101-N104 PolarHBondContact O-N 2.95Å; S101-H105 PolarHBondContact O-N 3.3Å; S101-H105 PolarHBondContact O-ND1 2.83Å |
| 102 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 177.8 | -72.1 | 166.8 | 0 | 0 | 0 | 112.4 | L45 A49 V57 L61 I68 P86 L87 A90 V98 V99 Q100 H105 G106 A107 | L45-L102 HydrophobicContact CD1-CD2 4.49Å; A49-L102 HydrophobicContact CB-CD1 4.15Å; V57-L102 HydrophobicContact CG1-CD2 4.03Å; V57-L102 HydrophobicContact CG1-CG 4.24Å; L61-L102 HydrophobicContact CD1-CD2 4.05Å; I68-L102 HydrophobicContact CD1-CD2 4.02Å; I68-L102 VanDerWaalsContact CD1-O 3.26Å; I68-L102 WeakPolarHBondContact CD1-O 3.37Å; I68-L102 HydrophobicContact CG1-CD2 3.96Å; P86-L102 HydrophobicContact CB-CD1 4.09Å; P86-L102 HydrophobicContact CB-CD2 4.02Å; L87-L102 HydrophobicContact CB-CD1 4.36Å; L87-L102 HydrophobicContact CD1-CB 4.22Å; L87-L102 HydrophobicContact CD1-CD1 4.48Å; A90-L102 HydrophobicContact CB-CD1 4.12Å; V98-L102 HydrophobicContact CG1-CD1 3.74Å; V98-L102 HydrophobicContact CG1-CG 4.25Å; V98-L102 WeakPolarHBondContact O-CB 3.48Å; V98-L102 VanDerWaalsContact O-CG 3.3Å; V98-L102 WeakPolarHBondContact O-CG 3.36Å; V98-L102 PolarHBondContact O-N 3.12Å; V99-L102 PolarHBondContact O-N 3.28Å; Q100-L102 PolarHBondContact O-N 3.18Å; L102-H105 CarbonylContact O-C 3.59Å; L102-H105 PolarHBondContact O-N 3.48Å; L102-G106 PolarHBondContact O-N 3.39Å; L102-A107 HydrophobicContact CB-CB 4.06Å; L102-A107 WeakPolarHBondContact O-CB 3.47Å; L102-A107 PolarHBondContact O-N 2.82Å |
| 103 | L | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.5 | -38.8 | 177 | -76.6 | 176.1 | 0 | 0 | 0 | 112.1 | L87 V99 Q100 S101 H105 G106 A107 V109 Y134 L135 H138 | L87-L103 HydrophobicContact CD1-CG 4.12Å; L87-L103 HydrophobicContact CD2-CD2 3.74Å; L87-L103 HydrophobicContact CD2-CG 4.25Å; V99-L103 HydrophobicContact CG1-CD1 4.32Å; V99-L103 PolarHBondContact O-N 3.31Å; Q100-L103 PolarHBondContact O-N 2.97Å; S101-L103 PolarHBondContact O-N 3.42Å; L103-H105 PolarHBondContact O-N 2.96Å; L103-G106 PolarHBondContact O-N 3.32Å; L103-A107 WeakPolarHBondContact CD2-O 3.3Å; L103-V109 HydrophobicContact CD2-CB 3.99Å; L103-V109 HydrophobicContact CD2-CG2 4.23Å; L103-Y134 HydrophobicContact CB-CE1 4.44Å; L103-Y134 HydrophobicContact CD1-CD1 3.84Å; L103-Y134 HydrophobicContact CD1-CE1 3.5Å; L103-Y134 VanDerWaalsContact CD1-CE1 3.5Å; L103-L135 HydrophobicContact CD1-CD2 3.92Å; L103-H138 HydrophobicContact CD1-CB 3.99Å |
| 104 | N | 98.3 | Very high | 98.3 | Very high | 119 Ų | 119 | 47.4 Ų | 47.4 | 64% | 0.636 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64 | -27.8 | 175.1 | -68.7 | -15.8 | 0 | 0 | 0 | 112.6 | Q100 S101 G106 | Q100-N104 WeakPolarHBondContact O-CB 3.21Å; Q100-N104 PolarHBondContact O-N 3.41Å; Q100-N104 PolarHBondContact O-ND2 3.46Å; S101-N104 PolarHBondContact O-N 2.95Å; N104-G106 VanDerWaalsContact C-N 3.29Å |
| 105 | H | 98.3 | Very high | 98.1 | Very high | 68 Ų | 68 | 48.8 Ų | 48.8 | 32% | 0.315 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 8.9 | 173.1 | -73.8 | 91.3 | 0 | 0 | 0 | 113.8 | L61 E62 I68 S101 L102 L103 | L61-H105 HydrophobicContact CD1-CB 3.88Å; E62-H105 VanDerWaalsContact CG-NE2 3.32Å; E62-H105 WeakPolarHBondContact CG-NE2 3.22Å; E62-H105 IonicContact OE1-CE1 2.61Å; E62-H105 IonicContact OE1-NE2 2.7Å; E62-H105 PolarHBondContact OE1-NE2 3.26Å; I68-H105 HydrophobicContact CD1-CB 3.69Å; S101-H105 PolarHBondContact O-N 3.3Å; S101-H105 PolarHBondContact O-ND1 2.83Å; L102-H105 CarbonylContact O-C 3.59Å; L102-H105 PolarHBondContact O-N 3.48Å; L103-H105 PolarHBondContact O-N 2.96Å |
| 106 | G | 97.8 | Very high | 98 | Very high | 55 Ų | 55 | 49.2 Ų | 49.2 | 57% | 0.567 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | 19.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L102 L103 N104 S108 | L102-G106 PolarHBondContact O-N 3.39Å; L103-G106 PolarHBondContact O-N 3.32Å; N104-G106 VanDerWaalsContact C-N 3.29Å; G106-S108 PolarHBondContact O-N 3.47Å |
| 107 | A | 98.5 | Very high | 97.9 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | trans | -58.3 | 136.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | I68 E69 L87 L102 L103 V109 | I68-A107 HydrophobicContact CD1-CB 3.69Å; I68-A107 HydrophobicContact CG1-CB 3.92Å; E69-A107 VanDerWaalsContact OE1-CA 3.27Å; E69-A107 WeakPolarHBondContact OE1-CA 3.34Å; L87-A107 HydrophobicContact CB-CB 4.23Å; L87-A107 HydrophobicContact CD2-CB 4.08Å; L102-A107 HydrophobicContact CB-CB 4.06Å; L102-A107 WeakPolarHBondContact O-CB 3.47Å; L102-A107 PolarHBondContact O-N 2.82Å; L103-A107 WeakPolarHBondContact CD2-O 3.3Å; A107-V109 PolarHBondContact O-N 3.31Å | ||
| 108 | S | 98.4 | Very high | 97.9 | Very high | 59 Ų | 59 | 40 Ų | 40 | 41% | 0.413 | 23% | 0.232 | S | C | . | . | trans | -71.6 | 114 | 174.8 | 174.7 | 0 | 0 | 0 | 0 | 110.1 | E69 G106 N110 N111 | E69-S108 PolarHBondContact OE1-N 3.02Å; G106-S108 PolarHBondContact O-N 3.47Å; S108-N110 PolarHBondContact O-N 3.2Å; S108-N111 PolarHBondContact O-N 3.3Å | ||
| 109 | V | 98.6 | Very high | 97.9 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 11% | 0.109 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -25.1 | -176.6 | 72.6 | 0 | 0 | 0 | 0 | 113.8 | L103 A107 P119 L135 A140 | L103-V109 HydrophobicContact CD2-CB 3.99Å; L103-V109 HydrophobicContact CD2-CG2 4.23Å; A107-V109 PolarHBondContact O-N 3.31Å; V109-P119 WeakPolarHBondContact O-CD 3.15Å; V109-P119 WeakPolarHBondContact O-CG 3.44Å; V109-L135 HydrophobicContact CG2-CD2 3.98Å; V109-A140 HydrophobicContact CG2-CB 3.71Å |
| 110 | N | 98.3 | Very high | 97.9 | Very high | 51 Ų | 51 | 39.9 Ų | 39.9 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 7.3 | -175.7 | -68.2 | -43.1 | 0 | 0 | 0 | 113.7 | S108 T112 K139 A140 D141 | S108-N110 PolarHBondContact O-N 3.2Å; N110-T112 VanDerWaalsContact O-CG2 3.29Å; N110-T112 WeakPolarHBondContact O-CG2 3.32Å; N110-T112 PolarHBondContact O-N 2.98Å; N110-K139 PolarHBondContact ND2-O 2.89Å; N110-A140 WeakPolarHBondContact OD1-CA 3.47Å; N110-D141 PolarHBondContact OD1-N 2.95Å |
| 111 | N | 97.8 | Very high | 97.9 | Very high | 56 Ų | 56 | 37.7 Ų | 37.7 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | trans | -67.3 | 134.8 | 178.9 | -166.1 | 14.6 | 0 | 0 | 0 | 111.2 | E69 P85 S108 P119 | E69-N111 WeakPolarHBondContact OE2-CB 3.33Å; E69-N111 PolarHBondContact OE2-ND2 2.82Å; P85-N111 HydrophobicContact CG-CB 4.31Å; S108-N111 PolarHBondContact O-N 3.3Å; N111-P119 WeakPolarHBondContact O-CD 3.3Å | ||
| 112 | T | 97.8 | Very high | 97.8 | Very high | 35 Ų | 35 | 37.5 Ų | 37.5 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | trans | -112.3 | 157.2 | -165.6 | 65.2 | 0 | 0 | 0 | 0 | 114.5 | N110 N116 S117 T118 | N110-T112 VanDerWaalsContact O-CG2 3.29Å; N110-T112 WeakPolarHBondContact O-CG2 3.32Å; N110-T112 PolarHBondContact O-N 2.98Å; T112-N116 PolarHBondContact OG1-OD1 3.49Å; T112-S117 WeakPolarHBondContact CA-O 3.4Å; T112-S117 WeakPolarHBondContact CB-O 3.27Å; T112-T118 HydrophobicContact CG2-CG2 3.73Å | ||
| 113 | T | 97.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -64.4 | 169.9 | 162.5 | 66.9 | 0 | 0 | 0 | 0 | 111.1 | I81 E82 A84 W88 T115 N116 S117 | I81-T113 HydrophobicContact CG2-CG2 3.56Å; E82-T113 WeakPolarHBondContact O-CB 3.39Å; A84-T113 HydrophobicContact CB-CG2 4.03Å; W88-T113 HydrophobicContact CD2-CG2 3.7Å; W88-T113 HydrophobicContact CE3-CG2 4.34Å; W88-T113 HydrophobicContact CG-CG2 3.9Å; W88-T113 HydrophobicContact CZ2-CG2 4.09Å; T113-T115 PolarHBondContact O-N 3.36Å; T113-T115 PolarHBondContact OG1-N 3.46Å; T113-T115 PolarHBondContact OG1-OG1 3.34Å; T113-T115 VanDerWaalsContact OG1-OG1 3.11Å; T113-N116 WeakPolarHBondContact O-CA 3.5Å; T113-N116 PolarHBondContact O-N 3.05Å; T113-S117 PolarHBondContact N-O 2.78Å; T113-S117 VanDerWaalsContact N-O 3.08Å; T113-S117 WeakPolarHBondContact OG1-CB 3.12Å; T113-S117 PolarHBondContact OG1-N 3.06Å; T113-S117 VanDerWaalsContact OG1-N 3.1Å |
| 114 | L | 95.8 | Very high | 97.8 | Very high | 141 Ų | 141 | 36.4 Ų | 36.4 | 74% | 0.738 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -19 | 174.6 | -61 | -171.4 | 0 | 0 | 0 | 115 | E82 N116 | E82-L114 HydrophobicContact CB-CB 4.46Å; E82-L114 HydrophobicContact CB-CD1 3.7Å; E82-L114 HydrophobicContact CB-CG 4.13Å; E82-L114 PolarHBondContact O-N 3.1Å; L114-N116 VanDerWaalsContact C-N 3.32Å |
| 115 | T | 93.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 34.1 Ų | 34.1 | 34% | 0.344 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 14.1 | 175 | 63 | 0 | 0 | 0 | 0 | 114 | T113 R147 | T113-T115 PolarHBondContact O-N 3.36Å; T113-T115 PolarHBondContact OG1-N 3.46Å; T113-T115 PolarHBondContact OG1-OG1 3.34Å; T113-T115 VanDerWaalsContact OG1-OG1 3.11Å; T115-R147 PolarHBondContact O-N 2.95Å; T115-R147 VanDerWaalsContact O-N 3.15Å |
| 116 | N | 97 | Very high | 97.8 | Very high | 68 Ų | 68 | 33.4 Ų | 33.4 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 51.6 | -174.2 | -151.4 | 38.5 | 0 | 0 | 0 | 112.5 | T112 T113 L114 R121 S145 N146 | T112-N116 PolarHBondContact OG1-OD1 3.49Å; T113-N116 WeakPolarHBondContact O-CA 3.5Å; T113-N116 PolarHBondContact O-N 3.05Å; L114-N116 VanDerWaalsContact C-N 3.32Å; N116-R121 PolarHBondContact O-NH2 3Å; N116-S145 PolarHBondContact ND2-O 3.31Å; N116-N146 WeakPolarHBondContact O-CA 3.29Å |
| 117 | S | 97.2 | Very high | 97.8 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -102.2 | 114.3 | 176.2 | -158.3 | 0 | 0 | 0 | 0 | 112.1 | W88 T112 T113 R121 | W88-S117 VanDerWaalsContact NE1-CB 3.3Å; W88-S117 PolarHBondContact NE1-O 3.24Å; W88-S117 PolarHBondContact NE1-OG 3.43Å; T112-S117 WeakPolarHBondContact CA-O 3.4Å; T112-S117 WeakPolarHBondContact CB-O 3.27Å; T113-S117 PolarHBondContact N-O 2.78Å; T113-S117 VanDerWaalsContact N-O 3.08Å; T113-S117 WeakPolarHBondContact OG1-CB 3.12Å; T113-S117 PolarHBondContact OG1-N 3.06Å; T113-S117 VanDerWaalsContact OG1-N 3.1Å; S117-R121 VanDerWaalsContact CA-CZ 3.43Å; S117-R121 VanDerWaalsContact CB-CZ 3.44Å; S117-R121 PolarHBondContact OG-NH1 3.08Å; S117-R121 PolarHBondContact OG-NH2 3.08Å |
| 118 | T | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -76.5 | 155.4 | 172.9 | 58.1 | 0 | 0 | 0 | 0 | 110.9 | W88 T112 L120 R121 A122 V144 | W88-T118 VanDerWaalsContact CD1-C 3.44Å; W88-T118 PolarHBondContact NE1-O 2.8Å; T112-T118 HydrophobicContact CG2-CG2 3.73Å; T118-L120 PolarHBondContact O-N 2.83Å; T118-R121 PolarHBondContact O-N 2.91Å; T118-R121 WeakPolarHBondContact OG1-CB 3.41Å; T118-R121 PolarHBondContact OG1-N 3.24Å; T118-R121 VanDerWaalsContact OG1-N 3.11Å; T118-A122 PolarHBondContact O-N 3.06Å; T118-A122 VanDerWaalsContact O-N 3.1Å; T118-V144 HydrophobicContact CG2-CB 3.69Å; T118-V144 HydrophobicContact CG2-CG1 3.51Å; T118-V144 HydrophobicContact CG2-CG2 4.29Å | ||
| 119 | P | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.9 | -38 | 170.7 | -24.9 | 34.5 | 0 | 0 | 0 | 112.3 | L87 W88 S91 V109 N111 A122 A123 L135 | L87-P119 HydrophobicContact CB-CG 4.33Å; L87-P119 HydrophobicContact CD2-CB 4.3Å; L87-P119 HydrophobicContact CD2-CG 3.91Å; L87-P119 HydrophobicContact CG-CB 3.94Å; L87-P119 HydrophobicContact CG-CG 3.84Å; W88-P119 HydrophobicContact CB-CG 4.22Å; S91-P119 WeakPolarHBondContact CB-O 3.32Å; V109-P119 WeakPolarHBondContact O-CD 3.15Å; V109-P119 WeakPolarHBondContact O-CG 3.44Å; N111-P119 WeakPolarHBondContact O-CD 3.3Å; P119-A122 WeakPolarHBondContact O-CB 3.3Å; P119-A122 PolarHBondContact O-N 3.32Å; P119-A123 PolarHBondContact O-N 3.17Å; P119-L135 HydrophobicContact CB-CD1 4.17Å |
| 120 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.6 | -48.2 | 175.1 | 178.6 | 64.1 | 0 | 0 | 0 | 111.6 | T118 A122 A123 C124 V132 L135 V136 A140 L142 | T118-L120 PolarHBondContact O-N 2.83Å; L120-A122 VanDerWaalsContact C-N 3.28Å; L120-A122 PolarHBondContact O-N 3.35Å; L120-A123 PolarHBondContact O-N 3.27Å; L120-C124 WeakPolarHBondContact O-CB 3.35Å; L120-C124 PolarHBondContact O-N 2.9Å; L120-C124 PolarHBondContact O-SG 2.91Å; L120-V132 HydrophobicContact CD1-CB 4.27Å; L120-V132 HydrophobicContact CD1-CG1 3.9Å; L120-V132 HydrophobicContact CD1-CG2 4.28Å; L120-L135 HydrophobicContact CB-CD1 4.24Å; L120-L135 HydrophobicContact CD1-CB 4.2Å; L120-L135 HydrophobicContact CD1-CD1 4.45Å; L120-V136 HydrophobicContact CD1-CG2 3.8Å; L120-V136 HydrophobicContact CD2-CG2 4.08Å; L120-A140 HydrophobicContact CB-CB 4Å; L120-A140 HydrophobicContact CD2-CB 3.84Å; L120-A140 HydrophobicContact CG-CB 4.35Å; L120-L142 HydrophobicContact CD2-CD2 3.57Å |
| 121 | R | 98.4 | Very high | 97.9 | Very high | 19 Ų | 19 | 35.3 Ų | 35.3 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.4 | -34 | 179.4 | -172 | 169 | 58.9 | 75.9 | -18 | 112.4 | N116 S117 T118 C124 F125 N146 I155 | N116-R121 PolarHBondContact O-NH2 3Å; S117-R121 VanDerWaalsContact CA-CZ 3.43Å; S117-R121 VanDerWaalsContact CB-CZ 3.44Å; S117-R121 PolarHBondContact OG-NH1 3.08Å; S117-R121 PolarHBondContact OG-NH2 3.08Å; T118-R121 PolarHBondContact O-N 2.91Å; T118-R121 WeakPolarHBondContact OG1-CB 3.41Å; T118-R121 PolarHBondContact OG1-N 3.24Å; T118-R121 VanDerWaalsContact OG1-N 3.11Å; R121-C124 PolarHBondContact O-N 3.48Å; R121-F125 WeakPolarHBondContact O-CB 3.46Å; R121-F125 PolarHBondContact O-N 3.44Å; R121-N146 VanDerWaalsContact CZ-CB 3.46Å; R121-I155 HydrophobicContact CG-CG1 4.15Å |
| 122 | A | 98.1 | Very high | 97.9 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -49.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | W88 A92 T118 P119 L120 C124 F125 D126 | W88-A122 HydrophobicContact CD2-CB 4.21Å; W88-A122 HydrophobicContact CG-CB 4.48Å; W88-A122 HydrophobicContact CZ2-CB 3.85Å; A92-A122 HydrophobicContact CB-CB 3.92Å; T118-A122 PolarHBondContact O-N 3.06Å; T118-A122 VanDerWaalsContact O-N 3.1Å; P119-A122 WeakPolarHBondContact O-CB 3.3Å; P119-A122 PolarHBondContact O-N 3.32Å; L120-A122 VanDerWaalsContact C-N 3.28Å; L120-A122 PolarHBondContact O-N 3.35Å; A122-C124 VanDerWaalsContact C-N 3.26Å; A122-C124 PolarHBondContact O-N 2.87Å; A122-F125 WeakPolarHBondContact O-CB 3.28Å; A122-F125 PolarHBondContact O-N 3.26Å; A122-D126 PolarHBondContact O-N 3.31Å; A122-D126 VanDerWaalsContact O-N 3.14Å |
| 123 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.9 | -38.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P119 L120 G127 H128 I131 V132 L135 | P119-A123 PolarHBondContact O-N 3.17Å; L120-A123 PolarHBondContact O-N 3.27Å; A123-G127 PolarHBondContact O-N 2.94Å; A123-H128 HydrophobicContact CB-CB 4.35Å; A123-H128 PolarHBondContact O-N 2.98Å; A123-I131 HydrophobicContact CB-CB 4.18Å; A123-I131 HydrophobicContact CB-CG2 3.67Å; A123-V132 HydrophobicContact CB-CG2 3.76Å; A123-L135 HydrophobicContact CB-CD1 4.36Å |
| 124 | C | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.6 | -33.8 | 174.1 | -69.1 | 0 | 0 | 0 | 0 | 113.4 | L120 R121 A122 V132 S156 H161 I164 | L120-C124 WeakPolarHBondContact O-CB 3.35Å; L120-C124 PolarHBondContact O-N 2.9Å; L120-C124 PolarHBondContact O-SG 2.91Å; R121-C124 PolarHBondContact O-N 3.48Å; A122-C124 VanDerWaalsContact C-N 3.26Å; A122-C124 PolarHBondContact O-N 2.87Å; C124-V132 VanDerWaalsContact SG-CG2 3.57Å; C124-S156 WeakPolarHBondContact CB-OG 3.4Å; C124-H161 PolarHBondContact O-CD2 2.93Å; C124-I164 HydrophobicContact CB-CG2 4.28Å |
| 125 | F | 97.6 | Very high | 98.2 | Very high | 71 Ų | 71 | 28.7 Ų | 28.7 | 31% | 0.311 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -69.3 | -42.2 | 178.4 | -174.2 | -91.2 | 0 | 0 | 0 | 111.5 | R121 A122 I155 K159 H161 | R121-F125 WeakPolarHBondContact O-CB 3.46Å; R121-F125 PolarHBondContact O-N 3.44Å; A122-F125 WeakPolarHBondContact O-CB 3.28Å; A122-F125 PolarHBondContact O-N 3.26Å; F125-I155 HydrophobicContact CB-CG2 3.71Å; F125-I155 HydrophobicContact CD2-CD1 4.33Å; F125-I155 HydrophobicContact CD2-CG2 3.65Å; F125-I155 HydrophobicContact CG-CG2 4.13Å; F125-K159 HydrophobicContact CD2-CG 4.36Å; F125-K159 VanDerWaalsContact CE1-NZ 3.27Å; F125-K159 HydrophobicContact CE2-CD 4.45Å; F125-K159 WeakPolarHBondContact O-CE 3.25Å; F125-H161 PolarHBondContact O-NE2 2.89Å |
| 126 | D | 97.5 | Very high | 98.4 | Very high | 53 Ų | 53 | 27.1 Ų | 27.1 | 28% | 0.283 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -93 | -4.5 | -175.1 | -67.2 | -45.4 | 0 | 0 | 0 | 114.3 | A122 H128 | A122-D126 PolarHBondContact O-N 3.31Å; A122-D126 VanDerWaalsContact O-N 3.14Å; D126-H128 WeakPolarHBondContact CB-NE2 3.41Å |
| 127 | G | 98.4 | Very high | 98.5 | Very high | 26 Ų | 26 | 30 Ų | 30 | 27% | 0.268 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | 21 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | A123 L129 H161 | A123-G127 PolarHBondContact O-N 2.94Å; G127-L129 PolarHBondContact O-N 3.43Å; G127-H161 WeakPolarHBondContact CA-NE2 3.35Å; G127-H161 PolarHBondContact N-NE2 3.44Å |
| 128 | H | 98.7 | Very high | 98.5 | Very high | 55 Ų | 55 | 33.2 Ų | 33.2 | 26% | 0.255 | 16% | 0.163 | S | C | . | . | trans | -85.8 | 74.5 | -175.5 | -58.3 | -56.1 | 0 | 0 | 0 | 112.6 | S91 A92 G94 A123 D126 E130 I131 V132 | S91-H128 PolarHBondContact O-CD2 3.43Å; A92-H128 PolarHBondContact O-CD2 3.06Å; A92-H128 PolarHBondContact O-NE2 2.95Å; G94-H128 VanDerWaalsContact CA-CE1 3.4Å; G94-H128 WeakPolarHBondContact CA-CE1 3.22Å; G94-H128 WeakPolarHBondContact CA-ND1 3.31Å; G94-H128 WeakPolarHBondContact CA-NE2 3.28Å; G94-H128 PolarHBondContact N-NE2 3.28Å; A123-H128 HydrophobicContact CB-CB 4.35Å; A123-H128 PolarHBondContact O-N 2.98Å; D126-H128 WeakPolarHBondContact CB-NE2 3.41Å; H128-E130 VanDerWaalsContact C-N 3.34Å; H128-E130 PolarHBondContact O-N 2.87Å; H128-I131 HydrophobicContact CB-CB 4.02Å; H128-I131 HydrophobicContact CB-CD1 3.98Å; H128-I131 HydrophobicContact CB-CG1 4.22Å; H128-I131 WeakPolarHBondContact O-CB 3.31Å; H128-I131 PolarHBondContact O-N 2.98Å; H128-V132 PolarHBondContact O-N 3.03Å | ||
| 129 | L | 98.8 | Very high | 98.5 | Very high | 41 Ų | 41 | 41.7 Ų | 41.7 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -51.6 | -45.1 | -174.1 | 178.2 | 63.4 | 0 | 0 | 0 | 114.3 | G127 I131 V132 K133 E163 I164 | G127-L129 PolarHBondContact O-N 3.43Å; L129-I131 VanDerWaalsContact C-N 3.3Å; L129-I131 PolarHBondContact O-N 3.18Å; L129-V132 WeakPolarHBondContact O-CB 3.47Å; L129-V132 PolarHBondContact O-N 2.94Å; L129-K133 HydrophobicContact CD1-CG 4.42Å; L129-K133 HydrophobicContact CG-CD 4.46Å; L129-K133 WeakPolarHBondContact O-CG 3.23Å; L129-K133 PolarHBondContact O-N 3.03Å; L129-E163 HydrophobicContact CD1-CB 4.46Å; L129-E163 HydrophobicContact CD2-CB 3.93Å; L129-I164 HydrophobicContact CB-CG1 4.09Å; L129-I164 HydrophobicContact CD1-CG1 3.78Å |
| 130 | E | 98.8 | Very high | 98.5 | Very high | 106 Ų | 106 | 42.1 Ų | 42.1 | 50% | 0.495 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.6 | -31.3 | -177.7 | -61.5 | -53.6 | 121.9 | 0 | 0 | 112.3 | L96 H128 K133 Y134 | L96-E130 HydrophobicContact CD2-CB 4.19Å; H128-E130 VanDerWaalsContact C-N 3.34Å; H128-E130 PolarHBondContact O-N 2.87Å; E130-K133 IonicContact OE1-NZ 2.65Å; E130-K133 PolarHBondContact OE1-NZ 3.31Å; E130-K133 IonicContact OE2-NZ 3.43Å; E130-Y134 WeakPolarHBondContact O-CB 3.48Å; E130-Y134 PolarHBondContact O-N 3.36Å; E130-Y134 VanDerWaalsContact O-N 3.1Å |
| 131 | I | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.1 | -42.7 | 171.4 | -66 | 178.9 | 0 | 0 | 0 | 110.1 | G94 L96 V99 A123 H128 L129 K133 Y134 L135 | G94-I131 VanDerWaalsContact C-CD1 3.45Å; L96-I131 HydrophobicContact CB-CD1 4.46Å; L96-I131 HydrophobicContact CB-CG1 3.99Å; L96-I131 HydrophobicContact CD1-CG1 3.86Å; V99-I131 HydrophobicContact CG1-CG2 4.32Å; V99-I131 HydrophobicContact CG2-CD1 4.18Å; V99-I131 HydrophobicContact CG2-CG2 4.18Å; A123-I131 HydrophobicContact CB-CB 4.18Å; A123-I131 HydrophobicContact CB-CG2 3.67Å; H128-I131 HydrophobicContact CB-CB 4.02Å; H128-I131 HydrophobicContact CB-CD1 3.98Å; H128-I131 HydrophobicContact CB-CG1 4.22Å; H128-I131 WeakPolarHBondContact O-CB 3.31Å; H128-I131 PolarHBondContact O-N 2.98Å; L129-I131 VanDerWaalsContact C-N 3.3Å; L129-I131 PolarHBondContact O-N 3.18Å; I131-K133 VanDerWaalsContact C-N 3.34Å; I131-K133 PolarHBondContact O-N 3.33Å; I131-Y134 PolarHBondContact O-N 3.49Å; I131-L135 HydrophobicContact CG2-CD1 3.65Å; I131-L135 HydrophobicContact CG2-CG 4.01Å; I131-L135 WeakPolarHBondContact O-CB 3.39Å; I131-L135 VanDerWaalsContact O-CG 3.26Å; I131-L135 WeakPolarHBondContact O-CG 3.24Å; I131-L135 PolarHBondContact O-N 3.47Å |
| 132 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.6 | -50.4 | 175.2 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | L120 A123 C124 H128 L129 Y134 L135 V136 I164 Y167 L168 | L120-V132 HydrophobicContact CD1-CB 4.27Å; L120-V132 HydrophobicContact CD1-CG1 3.9Å; L120-V132 HydrophobicContact CD1-CG2 4.28Å; A123-V132 HydrophobicContact CB-CG2 3.76Å; C124-V132 VanDerWaalsContact SG-CG2 3.57Å; H128-V132 PolarHBondContact O-N 3.03Å; L129-V132 WeakPolarHBondContact O-CB 3.47Å; L129-V132 PolarHBondContact O-N 2.94Å; V132-Y134 PolarHBondContact O-N 2.88Å; V132-L135 PolarHBondContact O-N 3.02Å; V132-V136 VanDerWaalsContact O-CG2 3.27Å; V132-V136 WeakPolarHBondContact O-CG2 3.44Å; V132-V136 PolarHBondContact O-N 2.67Å; V132-I164 HydrophobicContact CG1-CG2 4.23Å; V132-I164 HydrophobicContact CG2-CD1 4.16Å; V132-I164 HydrophobicContact CG2-CG2 4.2Å; V132-Y167 HydrophobicContact CG1-CD1 3.85Å; V132-Y167 HydrophobicContact CG1-CE1 4.07Å; V132-L168 HydrophobicContact CG1-CD2 4.4Å |
| 133 | K | 98.9 | Very high | 98.5 | Very high | 62 Ų | 62 | 48.4 Ų | 48.4 | 27% | 0.27 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -56.6 | -51.3 | 177.7 | -71 | 174.3 | -176.5 | 162.8 | 0 | 111.5 | L129 E130 I131 L135 V136 E137 Y167 | L129-K133 HydrophobicContact CD1-CG 4.42Å; L129-K133 HydrophobicContact CG-CD 4.46Å; L129-K133 WeakPolarHBondContact O-CG 3.23Å; L129-K133 PolarHBondContact O-N 3.03Å; E130-K133 IonicContact OE1-NZ 2.65Å; E130-K133 PolarHBondContact OE1-NZ 3.31Å; E130-K133 IonicContact OE2-NZ 3.43Å; I131-K133 VanDerWaalsContact C-N 3.34Å; I131-K133 PolarHBondContact O-N 3.33Å; K133-L135 PolarHBondContact O-N 2.89Å; K133-V136 PolarHBondContact O-N 3.35Å; K133-E137 WeakPolarHBondContact O-CG 3.42Å; K133-E137 PolarHBondContact O-N 3.39Å; K133-Y167 HydrophobicContact CB-CE1 4.41Å; K133-Y167 HydrophobicContact CG-CD1 4.32Å; K133-Y167 HydrophobicContact CG-CD2 4.22Å; K133-Y167 HydrophobicContact CG-CE1 4.01Å; K133-Y167 HydrophobicContact CG-CE2 3.9Å; K133-Y167 HydrophobicContact CG-CG 4.41Å |
| 134 | Y | 98.8 | Very high | 98.4 | Very high | 34 Ų | 34 | 50 Ų | 50 | 13% | 0.133 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.1 | -46.7 | -178.4 | -169.9 | -96 | 0 | 0 | 0 | 112.5 | L96 V99 Q100 L103 E130 I131 V132 V136 E137 H138 | L96-Y134 HydrophobicContact CD1-CG 4.39Å; V99-Y134 HydrophobicContact CG1-CD1 4.09Å; Q100-Y134 HydrophobicContact CB-CE1 4.35Å; Q100-Y134 HydrophobicContact CG-CD1 4.25Å; Q100-Y134 HydrophobicContact CG-CD2 4.25Å; Q100-Y134 HydrophobicContact CG-CE1 3.78Å; Q100-Y134 HydrophobicContact CG-CE2 3.77Å; Q100-Y134 HydrophobicContact CG-CG 4.47Å; L103-Y134 HydrophobicContact CB-CE1 4.44Å; L103-Y134 HydrophobicContact CD1-CD1 3.84Å; L103-Y134 HydrophobicContact CD1-CE1 3.5Å; L103-Y134 VanDerWaalsContact CD1-CE1 3.5Å; E130-Y134 WeakPolarHBondContact O-CB 3.48Å; E130-Y134 PolarHBondContact O-N 3.36Å; E130-Y134 VanDerWaalsContact O-N 3.1Å; I131-Y134 PolarHBondContact O-N 3.49Å; V132-Y134 PolarHBondContact O-N 2.88Å; Y134-V136 VanDerWaalsContact C-N 3.34Å; Y134-V136 PolarHBondContact O-N 3.28Å; Y134-E137 PolarHBondContact O-N 3.37Å; Y134-H138 AromaticContact CD1-ND1 3.84Å; Y134-H138 AromaticContact CD2-CE1 3.82Å; Y134-H138 AromaticContact CE1-CE1 3.63Å; Y134-H138 AromaticContact CE1-ND1 3.68Å; Y134-H138 AromaticContact CE2-CE1 3.3Å; Y134-H138 WeakPolarHBondContact CE2-CE1 3.49Å; Y134-H138 AromaticContact CE2-ND1 3.94Å; Y134-H138 AromaticContact CZ-CE1 3.17Å; Y134-H138 AromaticContact CZ-ND1 3.72Å; Y134-H138 AromaticContact CZ-NE2 3.56Å; Y134-H138 PolarHBondContact O-N 2.99Å; Y134-H138 VanDerWaalsContact O-N 3.08Å; Y134-H138 PolarHBondContact O-ND1 2.9Å; Y134-H138 PolarHBondContact OH-NE2 3.06Å |
| 135 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 178.4 | -70.9 | 175 | 0 | 0 | 0 | 111.4 | L87 V99 L103 V109 P119 L120 A123 I131 V132 K133 H138 K139 A140 | L87-L135 HydrophobicContact CD1-CD2 4.35Å; V99-L135 HydrophobicContact CG1-CD2 3.92Å; V99-L135 HydrophobicContact CG1-CG 4.41Å; L103-L135 HydrophobicContact CD1-CD2 3.92Å; V109-L135 HydrophobicContact CG2-CD2 3.98Å; P119-L135 HydrophobicContact CB-CD1 4.17Å; L120-L135 HydrophobicContact CB-CD1 4.24Å; L120-L135 HydrophobicContact CD1-CB 4.2Å; L120-L135 HydrophobicContact CD1-CD1 4.45Å; A123-L135 HydrophobicContact CB-CD1 4.36Å; I131-L135 HydrophobicContact CG2-CD1 3.65Å; I131-L135 HydrophobicContact CG2-CG 4.01Å; I131-L135 WeakPolarHBondContact O-CB 3.39Å; I131-L135 VanDerWaalsContact O-CG 3.26Å; I131-L135 WeakPolarHBondContact O-CG 3.24Å; I131-L135 PolarHBondContact O-N 3.47Å; V132-L135 PolarHBondContact O-N 3.02Å; K133-L135 PolarHBondContact O-N 2.89Å; L135-H138 CarbonylContact O-C 3.5Å; L135-H138 VanDerWaalsContact O-C 3.26Å; L135-H138 WeakPolarHBondContact O-CA 3.42Å; L135-H138 PolarHBondContact O-N 2.96Å; L135-H138 VanDerWaalsContact O-N 3.08Å; L135-K139 PolarHBondContact O-N 3.45Å; L135-A140 VanDerWaalsContact C-CB 3.48Å; L135-A140 HydrophobicContact CB-CB 3.91Å; L135-A140 WeakPolarHBondContact O-CB 3.41Å; L135-A140 PolarHBondContact O-N 3.19Å |
| 136 | V | 98.7 | Very high | 98.2 | Very high | 23 Ų | 23 | 49 Ų | 49 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.6 | -40.9 | 178.1 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | L120 V132 K133 Y134 H138 K139 L142 Y167 K171 | L120-V136 HydrophobicContact CD1-CG2 3.8Å; L120-V136 HydrophobicContact CD2-CG2 4.08Å; V132-V136 VanDerWaalsContact O-CG2 3.27Å; V132-V136 WeakPolarHBondContact O-CG2 3.44Å; V132-V136 PolarHBondContact O-N 2.67Å; K133-V136 PolarHBondContact O-N 3.35Å; Y134-V136 VanDerWaalsContact C-N 3.34Å; Y134-V136 PolarHBondContact O-N 3.28Å; V136-H138 PolarHBondContact O-N 3.1Å; V136-K139 PolarHBondContact O-N 3.47Å; V136-L142 HydrophobicContact CB-CD2 4.48Å; V136-L142 HydrophobicContact CG1-CD2 4.21Å; V136-L142 HydrophobicContact CG2-CD2 3.47Å; V136-L142 VanDerWaalsContact CG2-CD2 3.47Å; V136-Y167 HydrophobicContact CB-CE1 3.99Å; V136-Y167 HydrophobicContact CG1-CE1 4.2Å; V136-Y167 HydrophobicContact CG2-CE1 4Å; V136-K171 HydrophobicContact CG1-CB 4.37Å; V136-K171 HydrophobicContact CG1-CD 4.35Å; V136-K171 HydrophobicContact CG1-CG 4.06Å |
| 137 | E | 98.4 | Very high | 97.9 | Very high | 128 Ų | 128 | 54.5 Ų | 54.5 | 60% | 0.598 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60 | -28.3 | 172.4 | -71.5 | 168.5 | 179.6 | 0 | 0 | 112.2 | K133 Y134 K139 | K133-E137 WeakPolarHBondContact O-CG 3.42Å; K133-E137 PolarHBondContact O-N 3.39Å; Y134-E137 PolarHBondContact O-N 3.37Å; E137-K139 VanDerWaalsContact C-N 3.33Å |
| 138 | H | 98.4 | Very high | 97.7 | Very high | 72 Ų | 72 | 57.4 Ų | 57.4 | 33% | 0.333 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 27.4 | 176.4 | -66.4 | 72.6 | 0 | 0 | 0 | 113.2 | L103 Y134 L135 V136 A140 | L103-H138 HydrophobicContact CD1-CB 3.99Å; Y134-H138 AromaticContact CD1-ND1 3.84Å; Y134-H138 AromaticContact CD2-CE1 3.82Å; Y134-H138 AromaticContact CE1-CE1 3.63Å; Y134-H138 AromaticContact CE1-ND1 3.68Å; Y134-H138 AromaticContact CE2-CE1 3.3Å; Y134-H138 WeakPolarHBondContact CE2-CE1 3.49Å; Y134-H138 AromaticContact CE2-ND1 3.94Å; Y134-H138 AromaticContact CZ-CE1 3.17Å; Y134-H138 AromaticContact CZ-ND1 3.72Å; Y134-H138 AromaticContact CZ-NE2 3.56Å; Y134-H138 PolarHBondContact O-N 2.99Å; Y134-H138 VanDerWaalsContact O-N 3.08Å; Y134-H138 PolarHBondContact O-ND1 2.9Å; Y134-H138 PolarHBondContact OH-NE2 3.06Å; L135-H138 CarbonylContact O-C 3.5Å; L135-H138 VanDerWaalsContact O-C 3.26Å; L135-H138 WeakPolarHBondContact O-CA 3.42Å; L135-H138 PolarHBondContact O-N 2.96Å; L135-H138 VanDerWaalsContact O-N 3.08Å; V136-H138 PolarHBondContact O-N 3.1Å; H138-A140 PolarHBondContact O-N 3.06Å |
| 139 | K | 98 | Very high | 97.6 | Very high | 179 Ų | 179 | 54.8 Ų | 54.8 | 78% | 0.778 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 30.6 | 172.5 | -49.5 | 175 | -179.5 | 175.5 | 0 | 114.5 | N110 L135 V136 E137 D141 | N110-K139 PolarHBondContact ND2-O 2.89Å; L135-K139 PolarHBondContact O-N 3.45Å; V136-K139 PolarHBondContact O-N 3.47Å; E137-K139 VanDerWaalsContact C-N 3.33Å; K139-D141 PolarHBondContact O-N 3.46Å |
| 140 | A | 98.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 55.1 Ų | 55.1 | 7% | 0.066 | 26% | 0.257 | C | S | . | . | trans | -60.3 | 132.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V109 N110 L120 L135 H138 | V109-A140 HydrophobicContact CG2-CB 3.71Å; N110-A140 WeakPolarHBondContact OD1-CA 3.47Å; L120-A140 HydrophobicContact CB-CB 4Å; L120-A140 HydrophobicContact CD2-CB 3.84Å; L120-A140 HydrophobicContact CG-CB 4.35Å; L135-A140 VanDerWaalsContact C-CB 3.48Å; L135-A140 HydrophobicContact CB-CB 3.91Å; L135-A140 WeakPolarHBondContact O-CB 3.41Å; L135-A140 PolarHBondContact O-N 3.19Å; H138-A140 PolarHBondContact O-N 3.06Å | ||
| 141 | D | 98.3 | Very high | 97.6 | Very high | 73 Ų | 73 | 50.1 Ų | 50.1 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | trans | -82.1 | 120.4 | 179.3 | -174.6 | -14.3 | 0 | 0 | 0 | 110 | N110 K139 E143 V144 | N110-D141 PolarHBondContact OD1-N 2.95Å; K139-D141 PolarHBondContact O-N 3.46Å; D141-E143 VanDerWaalsContact C-N 3.27Å; D141-E143 PolarHBondContact O-N 3.27Å; D141-E143 PolarHBondContact OD1-N 3.41Å; D141-V144 HydrophobicContact CB-CG2 3.71Å | ||
| 142 | L | 98.2 | Very high | 97.5 | Very high | 17 Ų | 17 | 50 Ų | 50 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -27.3 | -178.3 | -49.3 | -173.1 | 0 | 0 | 0 | 112.2 | L120 V136 L168 K171 A173 | L120-L142 HydrophobicContact CD2-CD2 3.57Å; V136-L142 HydrophobicContact CB-CD2 4.48Å; V136-L142 HydrophobicContact CG1-CD2 4.21Å; V136-L142 HydrophobicContact CG2-CD2 3.47Å; V136-L142 VanDerWaalsContact CG2-CD2 3.47Å; L142-L168 HydrophobicContact CD2-CD2 3.79Å; L142-K171 HydrophobicContact CD1-CB 3.84Å; L142-A173 HydrophobicContact CD1-CB 4.25Å |
| 143 | E | 98 | Very high | 97.5 | Very high | 65 Ų | 65 | 50 Ų | 50 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -3 | -166.2 | -64.1 | -55.5 | 140.1 | 0 | 0 | 113.6 | D141 S145 A173 D174 | D141-E143 VanDerWaalsContact C-N 3.27Å; D141-E143 PolarHBondContact O-N 3.27Å; D141-E143 PolarHBondContact OD1-N 3.41Å; E143-S145 PolarHBondContact O-N 2.93Å; E143-A173 VanDerWaalsContact OE1-CA 3.31Å; E143-A173 WeakPolarHBondContact OE1-CA 3.2Å; E143-D174 PolarHBondContact OE1-N 3.04Å |
| 144 | V | 97.2 | Very high | 97.5 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 19% | 0.194 | 22% | 0.221 | C | C | . | . | trans | -63.8 | 106.8 | 172.1 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | T118 D141 | T118-V144 HydrophobicContact CG2-CB 3.69Å; T118-V144 HydrophobicContact CG2-CG1 3.51Å; T118-V144 HydrophobicContact CG2-CG2 4.29Å; D141-V144 HydrophobicContact CB-CG2 3.71Å | ||
| 145 | S | 96.4 | Very high | 97.5 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 21% | 0.21 | 22% | 0.218 | C | C | . | . | trans | -89.1 | 149.6 | -179.5 | 74.8 | 0 | 0 | 0 | 0 | 112.5 | N116 E143 H150 R177 | N116-S145 PolarHBondContact ND2-O 3.31Å; E143-S145 PolarHBondContact O-N 2.93Å; S145-H150 VanDerWaalsContact CA-O 3.28Å; S145-H150 WeakPolarHBondContact CA-O 3.22Å; S145-R177 PolarHBondContact OG-NH2 2.95Å | ||
| 146 | N | 94.6 | Very high | 97.5 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 11% | 0.107 | 22% | 0.218 | C | C | . | . | trans | -67 | 177.8 | 171.7 | 77.8 | 0.7 | 0 | 0 | 0 | 112.6 | N116 R121 H148 G149 H150 | N116-N146 WeakPolarHBondContact O-CA 3.29Å; R121-N146 VanDerWaalsContact CZ-CB 3.46Å; N146-H148 PolarHBondContact O-N 3.31Å; N146-H148 VanDerWaalsContact OD1-C 3.31Å; N146-H148 VanDerWaalsContact OD1-CA 3.25Å; N146-H148 WeakPolarHBondContact OD1-CA 3.49Å; N146-H148 WeakPolarHBondContact OD1-CB 3.42Å; N146-H148 PolarHBondContact OD1-N 3.03Å; N146-G149 PolarHBondContact O-N 3.5Å; N146-G149 PolarHBondContact OD1-N 3.5Å; N146-H150 PolarHBondContact N-O 3.24Å; N146-H150 PolarHBondContact OD1-N 3Å | ||
| 147 | R | 92.8 | Very high | 97.5 | Very high | 169 Ų | 169 | 45.1 Ų | 45.1 | 64% | 0.638 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -15.3 | 176.2 | 75.2 | 179 | -154.2 | 171.2 | 8.1 | 115.4 | T115 | T115-R147 PolarHBondContact O-N 2.95Å; T115-R147 VanDerWaalsContact O-N 3.15Å |
| 148 | H | 93.8 | Very high | 97.5 | Very high | 87 Ų | 87 | 44.7 Ų | 44.7 | 40% | 0.403 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 0.9 | 176.5 | -59.4 | -62.9 | 0 | 0 | 0 | 112.7 | N146 S179 V180 | N146-H148 PolarHBondContact O-N 3.31Å; N146-H148 VanDerWaalsContact OD1-C 3.31Å; N146-H148 VanDerWaalsContact OD1-CA 3.25Å; N146-H148 WeakPolarHBondContact OD1-CA 3.49Å; N146-H148 WeakPolarHBondContact OD1-CB 3.42Å; N146-H148 PolarHBondContact OD1-N 3.03Å; H148-S179 WeakPolarHBondContact O-CB 3.24Å; H148-V180 VanDerWaalsContact C-CG2 3.5Å; H148-V180 WeakPolarHBondContact O-CB 3.15Å; H148-V180 WeakPolarHBondContact O-CG2 3.46Å; H148-V180 PolarHBondContact O-N 2.91Å |
| 149 | G | 96.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | trans | 83 | 10.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N146 R177 | N146-G149 PolarHBondContact O-N 3.5Å; N146-G149 PolarHBondContact OD1-N 3.5Å; G149-R177 PolarHBondContact O-NH2 3.21Å | ||
| 150 | H | 98 | Very high | 97.4 | Very high | 47 Ų | 47 | 38.4 Ų | 38.4 | 22% | 0.218 | 19% | 0.186 | C | C | . | . | trans | -79 | 125.5 | 178.1 | -57.9 | 149.2 | 0 | 0 | 0 | 112.2 | S145 N146 M154 I155 | S145-H150 VanDerWaalsContact CA-O 3.28Å; S145-H150 WeakPolarHBondContact CA-O 3.22Å; N146-H150 PolarHBondContact N-O 3.24Å; N146-H150 PolarHBondContact OD1-N 3Å; H150-M154 HydrophobicContact CB-CB 4.49Å; H150-M154 HydrophobicContact CB-SD 4.4Å; H150-I155 HydrophobicContact CB-CD1 4.18Å; H150-I155 HydrophobicContact CB-CG1 4.19Å | ||
| 151 | T | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | trans | -89.6 | 175.2 | 175.7 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | L153 M154 I155 R177 | T151-L153 VanDerWaalsContact C-N 3.31Å; T151-L153 PolarHBondContact O-N 3.02Å; T151-M154 HydrophobicContact CG2-SD 4.39Å; T151-M154 PolarHBondContact N-SD 3.14Å; T151-M154 PolarHBondContact O-N 3.04Å; T151-M154 PolarHBondContact OG1-N 3.22Å; T151-I155 WeakPolarHBondContact O-CG1 3.36Å; T151-I155 PolarHBondContact O-N 3.36Å; T151-R177 HydrophobicContact CG2-CB 4.27Å; T151-R177 HydrophobicContact CG2-CG 4.12Å | ||
| 152 | C | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.3 | -40.4 | 175 | -65.9 | 0 | 0 | 0 | 0 | 112.2 | S156 L168 | C152-S156 WeakPolarHBondContact O-CB 3.32Å; C152-S156 PolarHBondContact O-N 2.69Å; C152-S156 PolarHBondContact O-OG 3.44Å; C152-L168 HydrophobicContact CB-CD1 3.82Å; C152-L168 HydrophobicContact CB-CD2 4.27Å |
| 153 | L | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -48.1 | 178.8 | 179.1 | 62.4 | 0 | 0 | 0 | 111.4 | T151 I155 S156 C157 A165 L168 L169 A173 V175 A185 L201 | T151-L153 VanDerWaalsContact C-N 3.31Å; T151-L153 PolarHBondContact O-N 3.02Å; L153-I155 PolarHBondContact O-N 3.46Å; L153-S156 PolarHBondContact O-N 3.04Å; L153-C157 WeakPolarHBondContact O-CB 3.21Å; L153-C157 PolarHBondContact O-N 3.23Å; L153-C157 PolarHBondContact O-SG 3.33Å; L153-A165 HydrophobicContact CD1-CB 4.09Å; L153-L168 HydrophobicContact CB-CD1 4.47Å; L153-L168 HydrophobicContact CD1-CB 4.48Å; L153-L169 HydrophobicContact CD1-CD1 4.37Å; L153-L169 HydrophobicContact CD1-CD2 4.23Å; L153-L169 HydrophobicContact CD1-CG 3.96Å; L153-L169 HydrophobicContact CD2-CD2 3.71Å; L153-L169 HydrophobicContact CD2-CG 4.35Å; L153-A173 HydrophobicContact CB-CB 4.24Å; L153-A173 HydrophobicContact CD2-CB 4.25Å; L153-V175 HydrophobicContact CD2-CB 4.5Å; L153-A185 HydrophobicContact CD2-CB 4.02Å; L153-A185 HydrophobicContact CG-CB 3.89Å; L153-L201 HydrophobicContact CD1-CD2 4.34Å; L153-L201 HydrophobicContact CD2-CD2 4.4Å |
| 154 | M | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -53.4 | -52.2 | 176.7 | -77.1 | 173 | -175.1 | 0 | 0 | 112.4 | H150 T151 S156 C157 Y158 R177 A185 D188 | H150-M154 HydrophobicContact CB-CB 4.49Å; H150-M154 HydrophobicContact CB-SD 4.4Å; T151-M154 HydrophobicContact CG2-SD 4.39Å; T151-M154 PolarHBondContact N-SD 3.14Å; T151-M154 PolarHBondContact O-N 3.04Å; T151-M154 PolarHBondContact OG1-N 3.22Å; M154-S156 PolarHBondContact O-N 3.42Å; M154-C157 PolarHBondContact O-N 2.97Å; M154-Y158 WeakPolarHBondContact O-CB 3.1Å; M154-Y158 PolarHBondContact O-N 3.46Å; M154-R177 HydrophobicContact CE-CB 3.93Å; M154-R177 WeakPolarHBondContact CE-O 3.41Å; M154-A185 HydrophobicContact CG-CB 4.29Å; M154-D188 WeakPolarHBondContact CA-OD2 3.43Å; M154-D188 WeakPolarHBondContact CB-OD2 3.31Å; M154-D188 VanDerWaalsContact CG-OD2 3.32Å; M154-D188 WeakPolarHBondContact CG-OD2 3.49Å |
| 155 | I | 98 | Very high | 97.5 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | 179.4 | -68.3 | -72.1 | 0 | 0 | 0 | 111.5 | R121 F125 H150 T151 L153 C157 Y158 K159 | R121-I155 HydrophobicContact CG-CG1 4.15Å; F125-I155 HydrophobicContact CB-CG2 3.71Å; F125-I155 HydrophobicContact CD2-CD1 4.33Å; F125-I155 HydrophobicContact CD2-CG2 3.65Å; F125-I155 HydrophobicContact CG-CG2 4.13Å; H150-I155 HydrophobicContact CB-CD1 4.18Å; H150-I155 HydrophobicContact CB-CG1 4.19Å; T151-I155 WeakPolarHBondContact O-CG1 3.36Å; T151-I155 PolarHBondContact O-N 3.36Å; L153-I155 PolarHBondContact O-N 3.46Å; I155-C157 VanDerWaalsContact C-N 3.32Å; I155-C157 PolarHBondContact O-N 2.94Å; I155-Y158 PolarHBondContact O-N 3.12Å; I155-K159 WeakPolarHBondContact O-CB 3.47Å; I155-K159 WeakPolarHBondContact O-CG 3.46Å; I155-K159 PolarHBondContact O-N 3.34Å |
| 156 | S | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 178.7 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | C124 C152 L153 M154 G160 H161 I164 | C124-S156 WeakPolarHBondContact CB-OG 3.4Å; C152-S156 WeakPolarHBondContact O-CB 3.32Å; C152-S156 PolarHBondContact O-N 2.69Å; C152-S156 PolarHBondContact O-OG 3.44Å; L153-S156 PolarHBondContact O-N 3.04Å; M154-S156 PolarHBondContact O-N 3.42Å; S156-G160 PolarHBondContact O-N 3.4Å; S156-H161 PolarHBondContact O-N 3.28Å; S156-I164 VanDerWaalsContact OG-CG2 3.26Å; S156-I164 WeakPolarHBondContact OG-CG2 3.33Å |
| 157 | C | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | 175.7 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | L153 M154 I155 K159 G160 D188 C189 S192 I197 | L153-C157 WeakPolarHBondContact O-CB 3.21Å; L153-C157 PolarHBondContact O-N 3.23Å; L153-C157 PolarHBondContact O-SG 3.33Å; M154-C157 PolarHBondContact O-N 2.97Å; I155-C157 VanDerWaalsContact C-N 3.32Å; I155-C157 PolarHBondContact O-N 2.94Å; C157-K159 VanDerWaalsContact C-N 3.31Å; C157-K159 PolarHBondContact O-N 3.46Å; C157-G160 PolarHBondContact O-N 3.24Å; C157-D188 HydrophobicContact CB-CB 4.43Å; C157-C189 HydrophobicContact CB-CB 4.18Å; C157-S192 WeakPolarHBondContact O-CB 3.38Å; C157-S192 PolarHBondContact O-OG 3.46Å; C157-I197 HydrophobicContact CB-CG2 4.19Å; C157-I197 VanDerWaalsContact SG-CG2 3.59Å |
| 158 | Y | 97.9 | Very high | 98.1 | Very high | 119 Ų | 119 | 35 Ų | 35 | 47% | 0.467 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 177.2 | -178.1 | -107.3 | 0 | 0 | 0 | 112.2 | M154 I155 G160 S192 | M154-Y158 WeakPolarHBondContact O-CB 3.1Å; M154-Y158 PolarHBondContact O-N 3.46Å; I155-Y158 PolarHBondContact O-N 3.12Å; Y158-G160 VanDerWaalsContact C-N 3.32Å; Y158-S192 WeakPolarHBondContact O-CB 3.46Å |
| 159 | K | 97.7 | Very high | 98.4 | Very high | 86 Ų | 86 | 31.4 Ų | 31.4 | 37% | 0.374 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -78.9 | -13.8 | 179.2 | -71.2 | -66.8 | -147.1 | 176.3 | 0 | 114 | F125 I155 C157 H161 | F125-K159 HydrophobicContact CD2-CG 4.36Å; F125-K159 VanDerWaalsContact CE1-NZ 3.27Å; F125-K159 HydrophobicContact CE2-CD 4.45Å; F125-K159 WeakPolarHBondContact O-CE 3.25Å; I155-K159 WeakPolarHBondContact O-CB 3.47Å; I155-K159 WeakPolarHBondContact O-CG 3.46Å; I155-K159 PolarHBondContact O-N 3.34Å; C157-K159 VanDerWaalsContact C-N 3.31Å; C157-K159 PolarHBondContact O-N 3.46Å; K159-H161 VanDerWaalsContact CB-CD2 3.47Å; K159-H161 WeakPolarHBondContact CB-CD2 3.39Å |
| 160 | G | 97.7 | Very high | 98.5 | Very high | 32 Ų | 32 | 36.5 Ų | 36.5 | 33% | 0.33 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 16.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | S156 C157 Y158 K162 | S156-G160 PolarHBondContact O-N 3.4Å; C157-G160 PolarHBondContact O-N 3.24Å; Y158-G160 VanDerWaalsContact C-N 3.32Å; G160-K162 PolarHBondContact O-N 3.43Å |
| 161 | H | 98.4 | Very high | 98.5 | Very high | 50 Ų | 50 | 39.6 Ų | 39.6 | 23% | 0.231 | 19% | 0.185 | C | C | . | . | trans | -79.2 | 80.7 | -179.4 | -61.9 | -48 | 0 | 0 | 0 | 111.3 | C124 F125 G127 S156 K159 E163 I164 A165 | C124-H161 PolarHBondContact O-CD2 2.93Å; F125-H161 PolarHBondContact O-NE2 2.89Å; G127-H161 WeakPolarHBondContact CA-NE2 3.35Å; G127-H161 PolarHBondContact N-NE2 3.44Å; S156-H161 PolarHBondContact O-N 3.28Å; K159-H161 VanDerWaalsContact CB-CD2 3.47Å; K159-H161 WeakPolarHBondContact CB-CD2 3.39Å; H161-E163 PolarHBondContact O-N 2.93Å; H161-I164 HydrophobicContact CB-CB 4.08Å; H161-I164 HydrophobicContact CB-CD1 4.03Å; H161-I164 HydrophobicContact CB-CG1 4.27Å; H161-I164 PolarHBondContact O-N 3.46Å; H161-A165 PolarHBondContact O-N 3.19Å | ||
| 162 | K | 98.4 | Very high | 98.5 | Very high | 72 Ų | 72 | 42.3 Ų | 42.3 | 31% | 0.313 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -56.3 | -48.6 | -172.4 | -180 | -176.4 | 176.8 | 179.4 | 0 | 113.2 | G160 I164 A165 Q166 D196 I197 M200 | G160-K162 PolarHBondContact O-N 3.43Å; K162-I164 VanDerWaalsContact C-N 3.29Å; K162-I164 PolarHBondContact O-N 3.08Å; K162-A165 PolarHBondContact O-N 3.38Å; K162-Q166 WeakPolarHBondContact O-CB 3.29Å; K162-Q166 PolarHBondContact O-N 3.11Å; K162-D196 HydrophobicContact CD-CB 4.01Å; K162-D196 IonicContact NZ-OD2 3.85Å; K162-D196 PolarHBondContact NZ-OD2 3.02Å; K162-I197 HydrophobicContact CB-CD1 4.16Å; K162-I197 HydrophobicContact CB-CG1 3.93Å; K162-I197 HydrophobicContact CG-CG1 4.13Å; K162-M200 HydrophobicContact CG-CE 3.63Å; K162-M200 WeakPolarHBondContact O-CE 3.2Å |
| 163 | E | 98.7 | Very high | 98.5 | Very high | 119 Ų | 119 | 42.7 Ų | 42.7 | 56% | 0.556 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -64.8 | -36 | -176.7 | -65.8 | 75.7 | -170.3 | 0 | 0 | 111.5 | L129 H161 Y167 | L129-E163 HydrophobicContact CD1-CB 4.46Å; L129-E163 HydrophobicContact CD2-CB 3.93Å; H161-E163 PolarHBondContact O-N 2.93Å; E163-Y167 WeakPolarHBondContact O-CB 3.31Å; E163-Y167 PolarHBondContact O-N 3.3Å |
| 164 | I | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.6 | -48.5 | 175.3 | -64.5 | 179.7 | 0 | 0 | 0 | 110.1 | C124 L129 V132 S156 H161 K162 Q166 Y167 L168 | C124-I164 HydrophobicContact CB-CG2 4.28Å; L129-I164 HydrophobicContact CB-CG1 4.09Å; L129-I164 HydrophobicContact CD1-CG1 3.78Å; V132-I164 HydrophobicContact CG1-CG2 4.23Å; V132-I164 HydrophobicContact CG2-CD1 4.16Å; V132-I164 HydrophobicContact CG2-CG2 4.2Å; S156-I164 VanDerWaalsContact OG-CG2 3.26Å; S156-I164 WeakPolarHBondContact OG-CG2 3.33Å; H161-I164 HydrophobicContact CB-CB 4.08Å; H161-I164 HydrophobicContact CB-CD1 4.03Å; H161-I164 HydrophobicContact CB-CG1 4.27Å; H161-I164 PolarHBondContact O-N 3.46Å; K162-I164 VanDerWaalsContact C-N 3.29Å; K162-I164 PolarHBondContact O-N 3.08Å; I164-Q166 VanDerWaalsContact C-N 3.28Å; I164-Q166 PolarHBondContact O-N 3.42Å; I164-Y167 PolarHBondContact O-N 3.01Å; I164-L168 HydrophobicContact CG2-CD1 3.9Å; I164-L168 HydrophobicContact CG2-CG 4.28Å; I164-L168 VanDerWaalsContact O-CG 3.28Å; I164-L168 WeakPolarHBondContact O-CG 3.42Å; I164-L168 PolarHBondContact O-N 3.17Å |
| 165 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.5 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | L153 H161 K162 L168 L169 M200 | L153-A165 HydrophobicContact CD1-CB 4.09Å; H161-A165 PolarHBondContact O-N 3.19Å; K162-A165 PolarHBondContact O-N 3.38Å; A165-L168 PolarHBondContact O-N 3.37Å; A165-L169 WeakPolarHBondContact O-CG 3.44Å; A165-L169 PolarHBondContact O-N 2.74Å; A165-L169 VanDerWaalsContact O-N 3.1Å; A165-M200 HydrophobicContact CB-SD 4.37Å |
| 166 | Q | 98.8 | Very high | 98.5 | Very high | 78 Ų | 78 | 47.8 Ų | 47.8 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.6 | -50.4 | 175.3 | -179.1 | 175.4 | -11.7 | 0 | 0 | 111.7 | K162 I164 L168 L169 E170 M200 | K162-Q166 WeakPolarHBondContact O-CB 3.29Å; K162-Q166 PolarHBondContact O-N 3.11Å; I164-Q166 VanDerWaalsContact C-N 3.28Å; I164-Q166 PolarHBondContact O-N 3.42Å; Q166-L168 VanDerWaalsContact C-N 3.31Å; Q166-L168 PolarHBondContact O-N 3.23Å; Q166-L169 PolarHBondContact O-N 3.36Å; Q166-E170 HydrophobicContact CG-CG 4.47Å; Q166-E170 VanDerWaalsContact CG-OE1 3.31Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.3Å; Q166-E170 PolarHBondContact NE2-OE1 3.35Å; Q166-E170 WeakPolarHBondContact O-CG 3.38Å; Q166-E170 PolarHBondContact O-N 2.98Å; Q166-M200 HydrophobicContact CB-CE 3.8Å; Q166-M200 HydrophobicContact CB-SD 3.93Å |
| 167 | Y | 98.8 | Very high | 98.4 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 179.4 | 176.7 | -104.4 | 0 | 0 | 0 | 112.2 | V132 K133 V136 E163 I164 L169 E170 K171 | V132-Y167 HydrophobicContact CG1-CD1 3.85Å; V132-Y167 HydrophobicContact CG1-CE1 4.07Å; K133-Y167 HydrophobicContact CB-CE1 4.41Å; K133-Y167 HydrophobicContact CG-CD1 4.32Å; K133-Y167 HydrophobicContact CG-CD2 4.22Å; K133-Y167 HydrophobicContact CG-CE1 4.01Å; K133-Y167 HydrophobicContact CG-CE2 3.9Å; K133-Y167 HydrophobicContact CG-CG 4.41Å; V136-Y167 HydrophobicContact CB-CE1 3.99Å; V136-Y167 HydrophobicContact CG1-CE1 4.2Å; V136-Y167 HydrophobicContact CG2-CE1 4Å; E163-Y167 WeakPolarHBondContact O-CB 3.31Å; E163-Y167 PolarHBondContact O-N 3.3Å; I164-Y167 PolarHBondContact O-N 3.01Å; Y167-L169 PolarHBondContact O-N 2.95Å; Y167-E170 PolarHBondContact O-N 2.93Å; Y167-K171 HydrophobicContact CD1-CG 4.4Å; Y167-K171 HydrophobicContact CD2-CG 4.36Å; Y167-K171 HydrophobicContact CE1-CG 3.99Å; Y167-K171 HydrophobicContact CE2-CD 4.29Å; Y167-K171 HydrophobicContact CE2-CG 3.94Å; Y167-K171 VanDerWaalsContact CZ-CE 3.49Å; Y167-K171 VanDerWaalsContact O-CG 3.29Å; Y167-K171 WeakPolarHBondContact O-CG 3.43Å; Y167-K171 PolarHBondContact O-N 2.95Å; Y167-K171 VanDerWaalsContact OH-CE 3.31Å; Y167-K171 WeakPolarHBondContact OH-CE 3.19Å |
| 168 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 177.5 | -68.6 | 172.2 | 0 | 0 | 0 | 111.9 | V132 L142 C152 L153 I164 A165 Q166 K171 G172 A173 | V132-L168 HydrophobicContact CG1-CD2 4.4Å; L142-L168 HydrophobicContact CD2-CD2 3.79Å; C152-L168 HydrophobicContact CB-CD1 3.82Å; C152-L168 HydrophobicContact CB-CD2 4.27Å; L153-L168 HydrophobicContact CB-CD1 4.47Å; L153-L168 HydrophobicContact CD1-CB 4.48Å; I164-L168 HydrophobicContact CG2-CD1 3.9Å; I164-L168 HydrophobicContact CG2-CG 4.28Å; I164-L168 VanDerWaalsContact O-CG 3.28Å; I164-L168 WeakPolarHBondContact O-CG 3.42Å; I164-L168 PolarHBondContact O-N 3.17Å; A165-L168 PolarHBondContact O-N 3.37Å; Q166-L168 VanDerWaalsContact C-N 3.31Å; Q166-L168 PolarHBondContact O-N 3.23Å; L168-K171 CarbonylContact O-C 3.6Å; L168-K171 PolarHBondContact O-N 3.42Å; L168-G172 PolarHBondContact O-N 3.18Å; L168-A173 HydrophobicContact CB-CB 4.06Å; L168-A173 VanDerWaalsContact O-CB 3.25Å; L168-A173 WeakPolarHBondContact O-CB 3.42Å; L168-A173 PolarHBondContact O-N 2.86Å |
| 169 | L | 98.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 175.1 | -70.3 | 164.8 | 0 | 0 | 0 | 111.8 | L153 A165 Q166 Y167 K171 G172 V175 M200 L201 Y204 | L153-L169 HydrophobicContact CD1-CD1 4.37Å; L153-L169 HydrophobicContact CD1-CD2 4.23Å; L153-L169 HydrophobicContact CD1-CG 3.96Å; L153-L169 HydrophobicContact CD2-CD2 3.71Å; L153-L169 HydrophobicContact CD2-CG 4.35Å; A165-L169 WeakPolarHBondContact O-CG 3.44Å; A165-L169 PolarHBondContact O-N 2.74Å; A165-L169 VanDerWaalsContact O-N 3.1Å; Q166-L169 PolarHBondContact O-N 3.36Å; Y167-L169 PolarHBondContact O-N 2.95Å; L169-K171 PolarHBondContact O-N 3.34Å; L169-G172 PolarHBondContact O-N 3.12Å; L169-V175 HydrophobicContact CD2-CB 3.95Å; L169-V175 HydrophobicContact CD2-CG2 3.97Å; L169-M200 HydrophobicContact CD1-CG 4.02Å; L169-M200 HydrophobicContact CD1-SD 3.5Å; L169-M200 VanDerWaalsContact CD1-SD 3.5Å; L169-L201 HydrophobicContact CD1-CD2 4.12Å; L169-Y204 HydrophobicContact CB-CD1 3.95Å; L169-Y204 HydrophobicContact CB-CD2 4.22Å; L169-Y204 HydrophobicContact CB-CE1 3.86Å; L169-Y204 HydrophobicContact CB-CE2 4.13Å; L169-Y204 HydrophobicContact CB-CG 4.12Å; L169-Y204 HydrophobicContact CD1-CD2 3.7Å; L169-Y204 HydrophobicContact CD1-CE2 4.11Å; L169-Y204 HydrophobicContact CD1-CG 3.99Å; L169-Y204 HydrophobicContact CD2-CD1 4.38Å; L169-Y204 HydrophobicContact CD2-CG 4.17Å; L169-Y204 HydrophobicContact CG-CD2 4.43Å; L169-Y204 HydrophobicContact CG-CG 4.33Å |
| 170 | E | 98.6 | Very high | 98.4 | Very high | 108 Ų | 108 | 51.8 Ų | 51.8 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.8 | -27.6 | 174.5 | -71.3 | 170.8 | -175.1 | 0 | 0 | 112.3 | Q166 Y167 G172 Y204 | Q166-E170 HydrophobicContact CG-CG 4.47Å; Q166-E170 VanDerWaalsContact CG-OE1 3.31Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.3Å; Q166-E170 PolarHBondContact NE2-OE1 3.35Å; Q166-E170 WeakPolarHBondContact O-CG 3.38Å; Q166-E170 PolarHBondContact O-N 2.98Å; Y167-E170 PolarHBondContact O-N 2.93Å; E170-G172 VanDerWaalsContact C-N 3.34Å; E170-Y204 WeakPolarHBondContact CG-OH 3.35Å |
| 171 | K | 98.5 | Very high | 98.3 | Very high | 112 Ų | 112 | 55.7 Ų | 55.7 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 6.1 | 174.6 | -62.6 | -63.9 | 177 | -176.7 | 0 | 114 | V136 L142 Y167 L168 L169 | V136-K171 HydrophobicContact CG1-CB 4.37Å; V136-K171 HydrophobicContact CG1-CD 4.35Å; V136-K171 HydrophobicContact CG1-CG 4.06Å; L142-K171 HydrophobicContact CD1-CB 3.84Å; Y167-K171 HydrophobicContact CD1-CG 4.4Å; Y167-K171 HydrophobicContact CD2-CG 4.36Å; Y167-K171 HydrophobicContact CE1-CG 3.99Å; Y167-K171 HydrophobicContact CE2-CD 4.29Å; Y167-K171 HydrophobicContact CE2-CG 3.94Å; Y167-K171 VanDerWaalsContact CZ-CE 3.49Å; Y167-K171 VanDerWaalsContact O-CG 3.29Å; Y167-K171 WeakPolarHBondContact O-CG 3.43Å; Y167-K171 PolarHBondContact O-N 2.95Å; Y167-K171 VanDerWaalsContact OH-CE 3.31Å; Y167-K171 WeakPolarHBondContact OH-CE 3.19Å; L168-K171 CarbonylContact O-C 3.6Å; L168-K171 PolarHBondContact O-N 3.42Å; L169-K171 PolarHBondContact O-N 3.34Å |
| 172 | G | 97.9 | Very high | 98.2 | Very high | 60 Ų | 60 | 53.9 Ų | 53.9 | 62% | 0.619 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89 | 22.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L168 L169 E170 | L168-G172 PolarHBondContact O-N 3.18Å; L169-G172 PolarHBondContact O-N 3.12Å; E170-G172 VanDerWaalsContact C-N 3.34Å |
| 173 | A | 98.6 | Very high | 98.2 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | trans | -58.2 | 136.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L142 E143 L153 L168 V175 | L142-A173 HydrophobicContact CD1-CB 4.25Å; E143-A173 VanDerWaalsContact OE1-CA 3.31Å; E143-A173 WeakPolarHBondContact OE1-CA 3.2Å; L153-A173 HydrophobicContact CB-CB 4.24Å; L153-A173 HydrophobicContact CD2-CB 4.25Å; L168-A173 HydrophobicContact CB-CB 4.06Å; L168-A173 VanDerWaalsContact O-CB 3.25Å; L168-A173 WeakPolarHBondContact O-CB 3.42Å; L168-A173 PolarHBondContact O-N 2.86Å; A173-V175 PolarHBondContact O-N 2.85Å | ||
| 174 | D | 98.5 | Very high | 98.2 | Very high | 78 Ų | 78 | 45.8 Ų | 45.8 | 42% | 0.417 | 24% | 0.24 | S | C | . | . | trans | -72 | 104.9 | 179.9 | -178 | 1.9 | 0 | 0 | 0 | 110.7 | E143 N176 R177 | E143-D174 PolarHBondContact OE1-N 3.04Å; D174-N176 PolarHBondContact O-N 2.98Å; D174-N176 VanDerWaalsContact O-N 3.16Å; D174-N176 PolarHBondContact OD1-N 2.85Å; D174-R177 HydrophobicContact CB-CB 4.26Å; D174-R177 HydrophobicContact CB-CG 4.39Å; D174-R177 PolarHBondContact O-N 3.5Å; D174-R177 PolarHBondContact OD1-N 2.94Å | ||
| 175 | V | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.4 | 179.2 | 75.4 | 0 | 0 | 0 | 0 | 113.5 | L153 L169 A173 L201 Y204 A206 | L153-V175 HydrophobicContact CD2-CB 4.5Å; L169-V175 HydrophobicContact CD2-CB 3.95Å; L169-V175 HydrophobicContact CD2-CG2 3.97Å; A173-V175 PolarHBondContact O-N 2.85Å; V175-L201 HydrophobicContact CG2-CB 4.45Å; V175-L201 HydrophobicContact CG2-CD2 3.79Å; V175-Y204 WeakPolarHBondContact CG1-O 3.26Å; V175-A206 HydrophobicContact CG2-CB 3.69Å |
| 176 | N | 98.4 | Very high | 98.2 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 18% | 0.176 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 10.7 | -174.7 | -68.5 | -55.5 | 0 | 0 | 0 | 112.8 | D174 C205 A206 K207 | D174-N176 PolarHBondContact O-N 2.98Å; D174-N176 VanDerWaalsContact O-N 3.16Å; D174-N176 PolarHBondContact OD1-N 2.85Å; N176-C205 PolarHBondContact ND2-O 3.18Å; N176-C205 VanDerWaalsContact ND2-O 3.12Å; N176-A206 WeakPolarHBondContact OD1-CA 3.45Å; N176-K207 PolarHBondContact OD1-N 3.33Å |
| 177 | R | 98 | Very high | 98.2 | Very high | 80 Ų | 80 | 42 Ų | 42 | 30% | 0.302 | 22% | 0.222 | S | C | . | . | trans | -54.5 | 145.6 | 172 | -129.9 | -53.3 | -75.9 | -149.9 | -7.8 | 109.9 | S145 G149 T151 M154 D174 T184 | S145-R177 PolarHBondContact OG-NH2 2.95Å; G149-R177 PolarHBondContact O-NH2 3.21Å; T151-R177 HydrophobicContact CG2-CB 4.27Å; T151-R177 HydrophobicContact CG2-CG 4.12Å; M154-R177 HydrophobicContact CE-CB 3.93Å; M154-R177 WeakPolarHBondContact CE-O 3.41Å; D174-R177 HydrophobicContact CB-CB 4.26Å; D174-R177 HydrophobicContact CB-CG 4.39Å; D174-R177 PolarHBondContact O-N 3.5Å; D174-R177 PolarHBondContact OD1-N 2.94Å; R177-T184 WeakPolarHBondContact O-CA 3.21Å | ||
| 178 | K | 98.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 41.4 Ų | 41.4 | 37% | 0.365 | 22% | 0.221 | S | C | . | . | trans | -113.8 | 134.7 | 178.5 | -69.9 | -174.1 | 178.5 | -178.4 | 0 | 112.4 | N183 T184 E209 | K178-N183 CarbonylContact C-O 3.59Å; K178-N183 WeakPolarHBondContact CA-O 3.47Å; K178-T184 HydrophobicContact CG-CG2 4.01Å; K178-E209 WeakPolarHBondContact CE-OE2 3.4Å; K178-E209 IonicContact NZ-OE2 2.7Å; K178-E209 PolarHBondContact NZ-OE2 3.43Å | ||
| 179 | S | 98 | Very high | 98.1 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.063 | 22% | 0.221 | C | C | . | . | trans | -65 | 175 | 166.8 | 74.1 | 0 | 0 | 0 | 0 | 111.7 | H148 K181 G182 N183 | H148-S179 WeakPolarHBondContact O-CB 3.24Å; S179-K181 PolarHBondContact O-N 2.99Å; S179-K181 VanDerWaalsContact O-N 3.16Å; S179-K181 PolarHBondContact OG-N 3.43Å; S179-G182 PolarHBondContact O-N 3.03Å; S179-G182 PolarHBondContact OG-N 2.89Å; S179-N183 PolarHBondContact N-O 2.74Å; S179-N183 WeakPolarHBondContact OG-CB 3.49Å; S179-N183 PolarHBondContact OG-N 3.39Å; S179-N183 PolarHBondContact OG-O 3.14Å | ||
| 180 | V | 96.7 | Very high | 98.1 | Very high | 115 Ų | 115 | 40.9 Ų | 40.9 | 70% | 0.697 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -29.7 | 173.6 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | H148 | H148-V180 VanDerWaalsContact C-CG2 3.5Å; H148-V180 WeakPolarHBondContact O-CB 3.15Å; H148-V180 WeakPolarHBondContact O-CG2 3.46Å; H148-V180 PolarHBondContact O-N 2.91Å |
| 181 | K | 95.2 | Very high | 98 | Very high | 115 Ų | 115 | 39 Ų | 39 | 50% | 0.5 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 8.7 | 177.2 | -66.5 | -172.2 | 173.8 | -166.3 | 0 | 113.5 | S179 N183 G212 Y213 | S179-K181 PolarHBondContact O-N 2.99Å; S179-K181 VanDerWaalsContact O-N 3.16Å; S179-K181 PolarHBondContact OG-N 3.43Å; K181-N183 VanDerWaalsContact C-N 3.3Å; K181-N183 PolarHBondContact O-N 3.02Å; K181-G212 WeakPolarHBondContact O-CA 3.01Å; K181-G212 PolarHBondContact O-N 3.15Å; K181-Y213 HydrophobicContact CD-CE2 4.11Å; K181-Y213 PolarHBondContact NZ-OH 3.4Å |
| 182 | G | 97.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 12% | 0.124 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 82.9 | -6.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S179 | S179-G182 PolarHBondContact O-N 3.03Å; S179-G182 PolarHBondContact OG-N 2.89Å |
| 183 | N | 97.9 | Very high | 97.9 | Very high | 21 Ų | 21 | 33 Ų | 33 | 11% | 0.112 | 17% | 0.174 | C | C | . | . | trans | -60.2 | 139.5 | 175.1 | -64.6 | -14.6 | 0 | 0 | 0 | 111.4 | K178 S179 K181 H187 D211 | K178-N183 CarbonylContact C-O 3.59Å; K178-N183 WeakPolarHBondContact CA-O 3.47Å; S179-N183 PolarHBondContact N-O 2.74Å; S179-N183 WeakPolarHBondContact OG-CB 3.49Å; S179-N183 PolarHBondContact OG-N 3.39Å; S179-N183 PolarHBondContact OG-O 3.14Å; K181-N183 VanDerWaalsContact C-N 3.3Å; K181-N183 PolarHBondContact O-N 3.02Å; N183-H187 HydrophobicContact CB-CB 4.13Å; N183-D211 VanDerWaalsContact OD1-CB 3.31Å; N183-D211 WeakPolarHBondContact OD1-CB 3.33Å; N183-D211 PolarHBondContact OD1-OD2 2.77Å | ||
| 184 | T | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -108.8 | 169.3 | 172.2 | 63.6 | 0 | 0 | 0 | 0 | 110 | R177 K178 L186 H187 D188 | R177-T184 WeakPolarHBondContact O-CA 3.21Å; K178-T184 HydrophobicContact CG-CG2 4.01Å; T184-L186 PolarHBondContact O-N 2.83Å; T184-L186 PolarHBondContact OG1-N 3.34Å; T184-H187 PolarHBondContact N-ND1 3.1Å; T184-H187 VanDerWaalsContact N-ND1 3.19Å; T184-H187 WeakPolarHBondContact O-CB 3.26Å; T184-H187 PolarHBondContact O-N 3.49Å; T184-H187 PolarHBondContact OG1-ND1 3.13Å; T184-D188 PolarHBondContact O-N 3.03Å | ||
| 185 | A | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.9 | -26 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | L153 M154 C189 L201 | L153-A185 HydrophobicContact CD2-CB 4.02Å; L153-A185 HydrophobicContact CG-CB 3.89Å; M154-A185 HydrophobicContact CG-CB 4.29Å; A185-C189 VanDerWaalsContact O-CB 3.24Å; A185-C189 WeakPolarHBondContact O-CB 3.28Å; A185-C189 PolarHBondContact O-N 3.48Å; A185-L201 HydrophobicContact CB-CD1 4.35Å; A185-L201 HydrophobicContact CB-CD2 4.14Å; A185-L201 WeakPolarHBondContact O-CD1 3.42Å |
| 186 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.3 | -36.6 | 175.5 | -157.9 | 63 | 0 | 0 | 0 | 112.5 | T184 A190 M198 L201 L202 A206 M208 P217 | T184-L186 PolarHBondContact O-N 2.83Å; T184-L186 PolarHBondContact OG1-N 3.34Å; L186-A190 VanDerWaalsContact O-CB 3.31Å; L186-A190 WeakPolarHBondContact O-CB 3.43Å; L186-A190 PolarHBondContact O-N 3.23Å; L186-M198 HydrophobicContact CD1-CE 3.9Å; L186-M198 HydrophobicContact CD1-SD 3.3Å; L186-M198 WeakPolarHBondContact CD1-SD 3.36Å; L186-M198 HydrophobicContact CG-CE 4.24Å; L186-M198 HydrophobicContact CG-SD 4.02Å; L186-L201 HydrophobicContact CD1-CB 3.81Å; L186-L201 HydrophobicContact CD1-CD1 3.95Å; L186-L202 HydrophobicContact CD1-CD2 4.38Å; L186-L202 HydrophobicContact CD1-CG 4.29Å; L186-L202 HydrophobicContact CD2-CD2 4.08Å; L186-A206 HydrophobicContact CB-CB 4.39Å; L186-A206 HydrophobicContact CD1-CB 3.99Å; L186-A206 HydrophobicContact CD2-CB 3.97Å; L186-A206 HydrophobicContact CG-CB 4.37Å; L186-M208 HydrophobicContact CD2-CE 3.83Å; L186-M208 HydrophobicContact CD2-CG 4.38Å; L186-M208 HydrophobicContact CD2-SD 3.69Å; L186-P217 HydrophobicContact CB-CB 4.38Å; L186-P217 HydrophobicContact CB-CG 3.96Å; L186-P217 HydrophobicContact CD2-CB 4.33Å; L186-P217 HydrophobicContact CD2-CG 3.91Å; L186-P217 HydrophobicContact CG-CB 3.96Å; L186-P217 HydrophobicContact CG-CG 3.86Å |
| 187 | H | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -49 | 172.7 | -67.9 | 82.3 | 0 | 0 | 0 | 110.6 | N183 T184 C189 A190 E191 E209 M215 P217 | N183-H187 HydrophobicContact CB-CB 4.13Å; T184-H187 PolarHBondContact N-ND1 3.1Å; T184-H187 VanDerWaalsContact N-ND1 3.19Å; T184-H187 WeakPolarHBondContact O-CB 3.26Å; T184-H187 PolarHBondContact O-N 3.49Å; T184-H187 PolarHBondContact OG1-ND1 3.13Å; H187-C189 VanDerWaalsContact C-N 3.3Å; H187-C189 PolarHBondContact O-N 3.4Å; H187-A190 CarbonylContact O-C 3.59Å; H187-A190 WeakPolarHBondContact O-CA 3.41Å; H187-A190 WeakPolarHBondContact O-CB 3.41Å; H187-A190 PolarHBondContact O-N 3.48Å; H187-E191 PolarHBondContact O-N 3.38Å; H187-E209 PolarHBondContact CE1-O 3.08Å; H187-E209 PolarHBondContact NE2-O 3.5Å; H187-M215 PolarHBondContact NE2-O 3.39Å; H187-P217 WeakPolarHBondContact NE2-CD 3.49Å |
| 188 | D | 98 | Very high | 97.9 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 179.2 | -66.1 | -28 | 0 | 0 | 0 | 111.6 | M154 C157 T184 E191 S192 | M154-D188 WeakPolarHBondContact CA-OD2 3.43Å; M154-D188 WeakPolarHBondContact CB-OD2 3.31Å; M154-D188 VanDerWaalsContact CG-OD2 3.32Å; M154-D188 WeakPolarHBondContact CG-OD2 3.49Å; C157-D188 HydrophobicContact CB-CB 4.43Å; T184-D188 PolarHBondContact O-N 3.03Å; D188-E191 PolarHBondContact O-N 3.25Å; D188-S192 PolarHBondContact O-N 3.14Å |
| 189 | C | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 172.4 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | C157 A185 H187 E191 S192 G193 S194 I197 M198 L201 | C157-C189 HydrophobicContact CB-CB 4.18Å; A185-C189 VanDerWaalsContact O-CB 3.24Å; A185-C189 WeakPolarHBondContact O-CB 3.28Å; A185-C189 PolarHBondContact O-N 3.48Å; H187-C189 VanDerWaalsContact C-N 3.3Å; H187-C189 PolarHBondContact O-N 3.4Å; C189-E191 PolarHBondContact O-N 3.13Å; C189-S192 PolarHBondContact O-N 2.82Å; C189-S192 PolarHBondContact O-OG 2.86Å; C189-G193 PolarHBondContact O-N 2.9Å; C189-G193 VanDerWaalsContact O-N 3.11Å; C189-S194 PolarHBondContact SG-O 3.49Å; C189-I197 HydrophobicContact CB-CG2 4.16Å; C189-I197 VanDerWaalsContact SG-CG2 3.6Å; C189-M198 HydrophobicContact CB-CE 4.28Å; C189-M198 VanDerWaalsContact SG-CA 3.56Å; C189-M198 PolarHBondContact SG-N 3.2Å; C189-L201 HydrophobicContact CB-CD1 3.63Å |
| 190 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.3 | -34.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L186 H187 M198 P217 A221 H226 | L186-A190 VanDerWaalsContact O-CB 3.31Å; L186-A190 WeakPolarHBondContact O-CB 3.43Å; L186-A190 PolarHBondContact O-N 3.23Å; H187-A190 CarbonylContact O-C 3.59Å; H187-A190 WeakPolarHBondContact O-CA 3.41Å; H187-A190 WeakPolarHBondContact O-CB 3.41Å; H187-A190 PolarHBondContact O-N 3.48Å; A190-M198 HydrophobicContact CB-CE 3.83Å; A190-P217 HydrophobicContact CB-CB 4.06Å; A190-P217 WeakPolarHBondContact CB-O 3.26Å; A190-A221 HydrophobicContact CB-CB 4.11Å; A190-H226 PolarHBondContact O-CD2 2.87Å |
| 191 | E | 96.6 | Very high | 98 | Very high | 67 Ų | 67 | 25.8 Ų | 25.8 | 31% | 0.313 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -76.7 | -29.2 | 174.8 | -67.8 | -176.8 | -163.1 | 0 | 0 | 113.6 | H187 D188 C189 T224 H226 | H187-E191 PolarHBondContact O-N 3.38Å; D188-E191 PolarHBondContact O-N 3.25Å; C189-E191 PolarHBondContact O-N 3.13Å; E191-T224 HydrophobicContact CB-CG2 4.09Å; E191-T224 HydrophobicContact CG-CG2 3.95Å; E191-H226 PolarHBondContact O-CD2 3.21Å; E191-H226 PolarHBondContact O-NE2 3.49Å |
| 192 | S | 96.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 21.3 Ų | 21.3 | 25% | 0.252 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -72 | -33.5 | 175.9 | 78.9 | 0 | 0 | 0 | 0 | 113.1 | C157 Y158 D188 C189 S194 H226 | C157-S192 WeakPolarHBondContact O-CB 3.38Å; C157-S192 PolarHBondContact O-OG 3.46Å; Y158-S192 WeakPolarHBondContact O-CB 3.46Å; D188-S192 PolarHBondContact O-N 3.14Å; C189-S192 PolarHBondContact O-N 2.82Å; C189-S192 PolarHBondContact O-OG 2.86Å; S192-S194 PolarHBondContact OG-N 3.32Å; S192-H226 PolarHBondContact O-CE1 2.81Å |
| 193 | G | 97.4 | Very high | 98.2 | Very high | 12 Ų | 12 | 27.3 Ų | 27.3 | 12% | 0.124 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | C189 L195 H226 N228 | C189-G193 PolarHBondContact O-N 2.9Å; C189-G193 VanDerWaalsContact O-N 3.11Å; G193-L195 PolarHBondContact O-N 3.19Å; G193-L195 VanDerWaalsContact O-N 3.16Å; G193-H226 VanDerWaalsContact CA-CG 3.41Å; G193-H226 WeakPolarHBondContact CA-ND1 3.45Å; G193-H226 PolarHBondContact N-CD2 2.98Å; G193-H226 PolarHBondContact N-NE2 3.01Å; G193-N228 PolarHBondContact O-ND2 3.01Å |
| 194 | S | 98.1 | Very high | 98.2 | Very high | 30 Ų | 30 | 30 Ų | 30 | 21% | 0.21 | 15% | 0.153 | C | C | . | . | trans | -76.6 | 99.5 | 179.2 | -174 | 0 | 0 | 0 | 0 | 112.6 | C189 S192 D196 I197 M198 | C189-S194 PolarHBondContact SG-O 3.49Å; S192-S194 PolarHBondContact OG-N 3.32Å; S194-D196 VanDerWaalsContact C-N 3.26Å; S194-D196 PolarHBondContact O-N 3.47Å; S194-I197 PolarHBondContact O-N 3.42Å; S194-I197 WeakPolarHBondContact OG-CG1 3.25Å; S194-I197 PolarHBondContact OG-N 3.13Å; S194-M198 WeakPolarHBondContact O-CB 3.41Å; S194-M198 PolarHBondContact O-N 2.66Å | ||
| 195 | L | 98.4 | Very high | 98.2 | Very high | 40 Ų | 40 | 34.4 Ų | 34.4 | 21% | 0.209 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64 | -31.2 | 176.7 | 179.8 | 61.1 | 0 | 0 | 0 | 112.7 | G193 M198 K199 F232 | G193-L195 PolarHBondContact O-N 3.19Å; G193-L195 VanDerWaalsContact O-N 3.16Å; L195-M198 WeakPolarHBondContact O-CB 3.23Å; L195-M198 PolarHBondContact O-N 3.08Å; L195-K199 HydrophobicContact CD1-CG 4.44Å; L195-K199 HydrophobicContact CG-CD 4.45Å; L195-K199 WeakPolarHBondContact O-CG 3.19Å; L195-K199 PolarHBondContact O-N 2.94Å; L195-F232 HydrophobicContact CD1-CB 3.64Å; L195-F232 HydrophobicContact CD1-CD1 3.68Å; L195-F232 HydrophobicContact CD1-CD2 4.32Å; L195-F232 HydrophobicContact CD1-CE1 4.44Å; L195-F232 HydrophobicContact CD1-CG 3.61Å |
| 196 | D | 98.3 | Very high | 98.2 | Very high | 85 Ų | 85 | 34.3 Ų | 34.3 | 46% | 0.455 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.7 | -46.1 | 177.8 | -81.7 | 1.4 | 0 | 0 | 0 | 111.9 | K162 S194 M198 K199 M200 | K162-D196 HydrophobicContact CD-CB 4.01Å; K162-D196 IonicContact NZ-OD2 3.85Å; K162-D196 PolarHBondContact NZ-OD2 3.02Å; S194-D196 VanDerWaalsContact C-N 3.26Å; S194-D196 PolarHBondContact O-N 3.47Å; D196-M198 VanDerWaalsContact C-N 3.32Å; D196-K199 PolarHBondContact O-N 3.26Å; D196-M200 WeakPolarHBondContact O-CB 3.49Å; D196-M200 PolarHBondContact O-N 3.47Å |
| 197 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.2 | -39 | 175.7 | -63.7 | 173.9 | 0 | 0 | 0 | 109.8 | C157 K162 C189 S194 K199 M200 L201 | C157-I197 HydrophobicContact CB-CG2 4.19Å; C157-I197 VanDerWaalsContact SG-CG2 3.59Å; K162-I197 HydrophobicContact CB-CD1 4.16Å; K162-I197 HydrophobicContact CB-CG1 3.93Å; K162-I197 HydrophobicContact CG-CG1 4.13Å; C189-I197 HydrophobicContact CB-CG2 4.16Å; C189-I197 VanDerWaalsContact SG-CG2 3.6Å; S194-I197 PolarHBondContact O-N 3.42Å; S194-I197 WeakPolarHBondContact OG-CG1 3.25Å; S194-I197 PolarHBondContact OG-N 3.13Å; I197-K199 VanDerWaalsContact C-N 3.35Å; I197-K199 PolarHBondContact O-N 2.9Å; I197-M200 HydrophobicContact CG1-CE 4.37Å; I197-M200 WeakPolarHBondContact O-CB 3.37Å; I197-M200 PolarHBondContact O-N 3.42Å; I197-L201 HydrophobicContact CG2-CD1 3.88Å; I197-L201 HydrophobicContact CG2-CG 4.06Å; I197-L201 WeakPolarHBondContact O-CG 3.48Å; I197-L201 PolarHBondContact O-N 2.85Å |
| 198 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.8 | -48.2 | 176.8 | 176.9 | 60.1 | 61.3 | 0 | 0 | 111.4 | L186 C189 A190 S194 L195 D196 L202 M208 I229 F232 L233 | L186-M198 HydrophobicContact CD1-CE 3.9Å; L186-M198 HydrophobicContact CD1-SD 3.3Å; L186-M198 WeakPolarHBondContact CD1-SD 3.36Å; L186-M198 HydrophobicContact CG-CE 4.24Å; L186-M198 HydrophobicContact CG-SD 4.02Å; C189-M198 HydrophobicContact CB-CE 4.28Å; C189-M198 VanDerWaalsContact SG-CA 3.56Å; C189-M198 PolarHBondContact SG-N 3.2Å; A190-M198 HydrophobicContact CB-CE 3.83Å; S194-M198 WeakPolarHBondContact O-CB 3.41Å; S194-M198 PolarHBondContact O-N 2.66Å; L195-M198 WeakPolarHBondContact O-CB 3.23Å; L195-M198 PolarHBondContact O-N 3.08Å; D196-M198 VanDerWaalsContact C-N 3.32Å; M198-L202 HydrophobicContact CG-CD1 4.29Å; M198-L202 WeakPolarHBondContact O-CD1 3.41Å; M198-L202 VanDerWaalsContact O-CG 3.31Å; M198-L202 WeakPolarHBondContact O-CG 3.34Å; M198-L202 PolarHBondContact O-N 3.47Å; M198-L202 VanDerWaalsContact O-N 3.16Å; M198-L202 HydrophobicContact SD-CD1 4.15Å; M198-M208 HydrophobicContact SD-CE 4.46Å; M198-I229 HydrophobicContact CE-CD1 4.24Å; M198-I229 HydrophobicContact CE-CG2 3.9Å; M198-I229 HydrophobicContact CG-CG2 4.45Å; M198-F232 HydrophobicContact CG-CD1 4.2Å; M198-F232 HydrophobicContact CG-CE1 4.21Å; M198-L233 HydrophobicContact CE-CD1 4.24Å; M198-L233 HydrophobicContact CG-CD2 4.32Å; M198-L233 HydrophobicContact SD-CD1 4.07Å; M198-L233 HydrophobicContact SD-CD2 4.06Å; M198-L233 HydrophobicContact SD-CG 4.41Å |
| 199 | K | 98.5 | Very high | 97.9 | Very high | 99 Ų | 99 | 42.9 Ų | 42.9 | 43% | 0.43 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.3 | -73.2 | 173.4 | 179.2 | 175.9 | 0 | 112.2 | L195 D196 I197 L202 M203 F232 | L195-K199 HydrophobicContact CD1-CG 4.44Å; L195-K199 HydrophobicContact CG-CD 4.45Å; L195-K199 WeakPolarHBondContact O-CG 3.19Å; L195-K199 PolarHBondContact O-N 2.94Å; D196-K199 PolarHBondContact O-N 3.26Å; I197-K199 VanDerWaalsContact C-N 3.35Å; I197-K199 PolarHBondContact O-N 2.9Å; K199-L202 PolarHBondContact O-N 3.18Å; K199-M203 WeakPolarHBondContact O-CB 3.18Å; K199-M203 PolarHBondContact O-N 2.98Å; K199-F232 HydrophobicContact CG-CE1 4.11Å; K199-F232 HydrophobicContact CG-CE2 4.2Å; K199-F232 HydrophobicContact CG-CZ 3.79Å |
| 200 | M | 98.6 | Very high | 97.9 | Very high | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.069 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.3 | -52.1 | 176.9 | -179.5 | -147.2 | -58.4 | 0 | 0 | 111 | K162 A165 Q166 L169 D196 I197 L202 M203 Y204 | K162-M200 HydrophobicContact CG-CE 3.63Å; K162-M200 WeakPolarHBondContact O-CE 3.2Å; A165-M200 HydrophobicContact CB-SD 4.37Å; Q166-M200 HydrophobicContact CB-CE 3.8Å; Q166-M200 HydrophobicContact CB-SD 3.93Å; L169-M200 HydrophobicContact CD1-CG 4.02Å; L169-M200 HydrophobicContact CD1-SD 3.5Å; L169-M200 VanDerWaalsContact CD1-SD 3.5Å; D196-M200 WeakPolarHBondContact O-CB 3.49Å; D196-M200 PolarHBondContact O-N 3.47Å; I197-M200 HydrophobicContact CG1-CE 4.37Å; I197-M200 WeakPolarHBondContact O-CB 3.37Å; I197-M200 PolarHBondContact O-N 3.42Å; M200-L202 VanDerWaalsContact C-N 3.29Å; M200-L202 PolarHBondContact O-N 3.43Å; M200-M203 WeakPolarHBondContact O-CA 3.47Å; M200-M203 VanDerWaalsContact O-CB 3.32Å; M200-M203 WeakPolarHBondContact O-CB 3.29Å; M200-M203 PolarHBondContact O-N 3.34Å; M200-Y204 HydrophobicContact CG-CD2 4.13Å; M200-Y204 HydrophobicContact CG-CE2 4.19Å; M200-Y204 WeakPolarHBondContact O-CD2 3.22Å; M200-Y204 PolarHBondContact O-N 3.42Å |
| 201 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.5 | -42.8 | 179.4 | -69.8 | 171.8 | 0 | 0 | 0 | 111.8 | L153 L169 V175 A185 L186 C189 I197 M203 Y204 C205 A206 | L153-L201 HydrophobicContact CD1-CD2 4.34Å; L153-L201 HydrophobicContact CD2-CD2 4.4Å; L169-L201 HydrophobicContact CD1-CD2 4.12Å; V175-L201 HydrophobicContact CG2-CB 4.45Å; V175-L201 HydrophobicContact CG2-CD2 3.79Å; A185-L201 HydrophobicContact CB-CD1 4.35Å; A185-L201 HydrophobicContact CB-CD2 4.14Å; A185-L201 WeakPolarHBondContact O-CD1 3.42Å; L186-L201 HydrophobicContact CD1-CB 3.81Å; L186-L201 HydrophobicContact CD1-CD1 3.95Å; C189-L201 HydrophobicContact CB-CD1 3.63Å; I197-L201 HydrophobicContact CG2-CD1 3.88Å; I197-L201 HydrophobicContact CG2-CG 4.06Å; I197-L201 WeakPolarHBondContact O-CG 3.48Å; I197-L201 PolarHBondContact O-N 2.85Å; L201-M203 VanDerWaalsContact C-N 3.34Å; L201-M203 PolarHBondContact O-N 3.27Å; L201-Y204 CarbonylContact O-C 3.58Å; L201-Y204 WeakPolarHBondContact O-CA 3.27Å; L201-Y204 PolarHBondContact O-N 3.1Å; L201-Y204 VanDerWaalsContact O-N 3.14Å; L201-C205 PolarHBondContact O-N 2.99Å; L201-A206 HydrophobicContact CB-CB 3.89Å; L201-A206 WeakPolarHBondContact O-CB 3.35Å; L201-A206 PolarHBondContact O-N 2.82Å |
| 202 | L | 98.4 | Very high | 97.7 | Very high | 22 Ų | 22 | 49.8 Ų | 49.8 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -36.6 | 176.6 | -69.6 | 167.7 | 0 | 0 | 0 | 112.8 | L186 M198 K199 M200 Y204 C205 M208 F232 L233 | L186-L202 HydrophobicContact CD1-CD2 4.38Å; L186-L202 HydrophobicContact CD1-CG 4.29Å; L186-L202 HydrophobicContact CD2-CD2 4.08Å; M198-L202 HydrophobicContact CG-CD1 4.29Å; M198-L202 WeakPolarHBondContact O-CD1 3.41Å; M198-L202 VanDerWaalsContact O-CG 3.31Å; M198-L202 WeakPolarHBondContact O-CG 3.34Å; M198-L202 PolarHBondContact O-N 3.47Å; M198-L202 VanDerWaalsContact O-N 3.16Å; M198-L202 HydrophobicContact SD-CD1 4.15Å; K199-L202 PolarHBondContact O-N 3.18Å; M200-L202 VanDerWaalsContact C-N 3.29Å; M200-L202 PolarHBondContact O-N 3.43Å; L202-Y204 VanDerWaalsContact C-N 3.26Å; L202-Y204 PolarHBondContact O-N 3.43Å; L202-C205 PolarHBondContact O-N 2.98Å; L202-M208 HydrophobicContact CD2-CE 4.23Å; L202-F232 HydrophobicContact CD1-CE1 3.66Å; L202-F232 HydrophobicContact CD1-CZ 4.24Å; L202-L233 HydrophobicContact CD1-CD2 4.02Å |
| 203 | M | 98.1 | Very high | 97.6 | Very high | 138 Ų | 138 | 52 Ų | 52 | 68% | 0.68 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.3 | -35.5 | 172.4 | -177.5 | 179.6 | 70.7 | 0 | 0 | 111.6 | K199 M200 L201 C205 | K199-M203 WeakPolarHBondContact O-CB 3.18Å; K199-M203 PolarHBondContact O-N 2.98Å; M200-M203 WeakPolarHBondContact O-CA 3.47Å; M200-M203 VanDerWaalsContact O-CB 3.32Å; M200-M203 WeakPolarHBondContact O-CB 3.29Å; M200-M203 PolarHBondContact O-N 3.34Å; L201-M203 VanDerWaalsContact C-N 3.34Å; L201-M203 PolarHBondContact O-N 3.27Å; M203-C205 PolarHBondContact O-N 3.08Å |
| 204 | Y | 98.3 | Very high | 97.5 | Very high | 78 Ų | 78 | 53 Ų | 53 | 31% | 0.306 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 21.1 | 172.2 | -78.8 | -89.1 | 0 | 0 | 0 | 113.5 | L169 E170 V175 M200 L201 L202 A206 | L169-Y204 HydrophobicContact CB-CD1 3.95Å; L169-Y204 HydrophobicContact CB-CD2 4.22Å; L169-Y204 HydrophobicContact CB-CE1 3.86Å; L169-Y204 HydrophobicContact CB-CE2 4.13Å; L169-Y204 HydrophobicContact CB-CG 4.12Å; L169-Y204 HydrophobicContact CD1-CD2 3.7Å; L169-Y204 HydrophobicContact CD1-CE2 4.11Å; L169-Y204 HydrophobicContact CD1-CG 3.99Å; L169-Y204 HydrophobicContact CD2-CD1 4.38Å; L169-Y204 HydrophobicContact CD2-CG 4.17Å; L169-Y204 HydrophobicContact CG-CD2 4.43Å; L169-Y204 HydrophobicContact CG-CG 4.33Å; E170-Y204 WeakPolarHBondContact CG-OH 3.35Å; V175-Y204 WeakPolarHBondContact CG1-O 3.26Å; M200-Y204 HydrophobicContact CG-CD2 4.13Å; M200-Y204 HydrophobicContact CG-CE2 4.19Å; M200-Y204 WeakPolarHBondContact O-CD2 3.22Å; M200-Y204 PolarHBondContact O-N 3.42Å; L201-Y204 CarbonylContact O-C 3.58Å; L201-Y204 WeakPolarHBondContact O-CA 3.27Å; L201-Y204 PolarHBondContact O-N 3.1Å; L201-Y204 VanDerWaalsContact O-N 3.14Å; L202-Y204 VanDerWaalsContact C-N 3.26Å; L202-Y204 PolarHBondContact O-N 3.43Å; Y204-A206 PolarHBondContact O-N 3.18Å |
| 205 | C | 97.9 | Very high | 97.5 | Very high | 92 Ų | 92 | 52 Ų | 52 | 62% | 0.622 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 32.3 | 176.1 | -53.4 | 0 | 0 | 0 | 0 | 115.5 | N176 L201 L202 M203 | N176-C205 PolarHBondContact ND2-O 3.18Å; N176-C205 VanDerWaalsContact ND2-O 3.12Å; L201-C205 PolarHBondContact O-N 2.99Å; L202-C205 PolarHBondContact O-N 2.98Å; M203-C205 PolarHBondContact O-N 3.08Å |
| 206 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -59.4 | 140 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V175 N176 L186 L201 Y204 Q238 | V175-A206 HydrophobicContact CG2-CB 3.69Å; N176-A206 WeakPolarHBondContact OD1-CA 3.45Å; L186-A206 HydrophobicContact CB-CB 4.39Å; L186-A206 HydrophobicContact CD1-CB 3.99Å; L186-A206 HydrophobicContact CD2-CB 3.97Å; L186-A206 HydrophobicContact CG-CB 4.37Å; L201-A206 HydrophobicContact CB-CB 3.89Å; L201-A206 WeakPolarHBondContact O-CB 3.35Å; L201-A206 PolarHBondContact O-N 2.82Å; Y204-A206 PolarHBondContact O-N 3.18Å; A206-Q238 PolarHBondContact O-NE2 3.13Å; A206-Q238 VanDerWaalsContact O-NE2 3.08Å; A206-Q238 PolarHBondContact O-OE1 3.49Å | ||
| 207 | K | 98.1 | Very high | 97.4 | Very high | 110 Ų | 110 | 46.1 Ų | 46.1 | 48% | 0.478 | 24% | 0.244 | S | C | . | . | trans | -105.2 | 140.2 | -178.7 | -64.6 | 177.1 | -177.3 | 175.1 | 0 | 111.9 | N176 E209 | N176-K207 PolarHBondContact OD1-N 3.33Å; K207-E209 HydrophobicContact CB-CG 3.67Å; K207-E209 WeakPolarHBondContact CD-OE1 3.49Å; K207-E209 PolarHBondContact O-N 3.12Å | ||
| 208 | M | 96.4 | Very high | 97.4 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | trans | -73.5 | 61.4 | 170.8 | -71.4 | -64.3 | 177.4 | 0 | 0 | 112.4 | L186 M198 L202 P217 L233 Q238 T239 | L186-M208 HydrophobicContact CD2-CE 3.83Å; L186-M208 HydrophobicContact CD2-CG 4.38Å; L186-M208 HydrophobicContact CD2-SD 3.69Å; M198-M208 HydrophobicContact SD-CE 4.46Å; L202-M208 HydrophobicContact CD2-CE 4.23Å; M208-P217 HydrophobicContact SD-CB 3.75Å; M208-P217 HydrophobicContact SD-CG 3.7Å; M208-L233 HydrophobicContact CE-CD1 3.45Å; M208-L233 VanDerWaalsContact CE-CD1 3.45Å; M208-L233 HydrophobicContact CE-CD2 3.25Å; M208-L233 HydrophobicContact CE-CG 3.91Å; M208-L233 HydrophobicContact SD-CD1 4.44Å; M208-Q238 HydrophobicContact CB-CB 4.18Å; M208-Q238 HydrophobicContact CG-CB 3.81Å; M208-T239 HydrophobicContact CG-CG2 4.42Å | ||
| 209 | E | 95.5 | Very high | 97.4 | Very high | 53 Ų | 53 | 47 Ų | 47 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | trans | -80.8 | 162 | 179.6 | -58.7 | -165.7 | 169.9 | 0 | 0 | 112.1 | K178 H187 K207 P217 | K178-E209 WeakPolarHBondContact CE-OE2 3.4Å; K178-E209 IonicContact NZ-OE2 2.7Å; K178-E209 PolarHBondContact NZ-OE2 3.43Å; H187-E209 PolarHBondContact CE1-O 3.08Å; H187-E209 PolarHBondContact NE2-O 3.5Å; K207-E209 HydrophobicContact CB-CG 3.67Å; K207-E209 WeakPolarHBondContact CD-OE1 3.49Å; K207-E209 PolarHBondContact O-N 3.12Å; E209-P217 WeakPolarHBondContact O-CD 3.36Å | ||
| 210 | K | 97.1 | Very high | 97.4 | Very high | 128 Ų | 128 | 42.5 Ų | 42.5 | 56% | 0.557 | 23% | 0.229 | S | C | * | . | trans | -89.4 | 138.5 | 171.7 | -71.3 | 178.6 | 178.1 | 179.8 | 0 | 110.8 | M215 T216 | K210-M215 CarbonylContact C-O 3.6Å; K210-M215 VanDerWaalsContact CA-O 3.24Å; K210-M215 WeakPolarHBondContact CA-O 3.45Å; K210-T216 HydrophobicContact CG-CG2 3.71Å | ||
| 211 | D | 97 | Very high | 97.4 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 10% | 0.102 | 23% | 0.226 | C | C | . | . | trans | -75.7 | -174 | 169.6 | 83.1 | -11.1 | 0 | 0 | 0 | 111.9 | N183 Y213 G214 M215 | N183-D211 VanDerWaalsContact OD1-CB 3.31Å; N183-D211 WeakPolarHBondContact OD1-CB 3.33Å; N183-D211 PolarHBondContact OD1-OD2 2.77Å; D211-Y213 PolarHBondContact O-N 3.37Å; D211-Y213 WeakPolarHBondContact OD1-CA 3.32Å; D211-Y213 PolarHBondContact OD1-N 3.32Å; D211-G214 PolarHBondContact O-N 3.1Å; D211-G214 PolarHBondContact OD1-N 3.17Å; D211-M215 PolarHBondContact N-O 3.5Å; D211-M215 WeakPolarHBondContact OD1-CB 3.37Å; D211-M215 PolarHBondContact OD1-N 2.98Å | ||
| 212 | G | 95.1 | Very high | 97.4 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 67% | 0.67 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -15 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | K181 | K181-G212 WeakPolarHBondContact O-CA 3.01Å; K181-G212 PolarHBondContact O-N 3.15Å |
| 213 | Y | 94.1 | Very high | 97.3 | Very high | 82 Ų | 82 | 41.5 Ų | 41.5 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 0.5 | 170.8 | -61.1 | -71.4 | 0 | 0 | 0 | 112.6 | K181 D211 M215 P335 | K181-Y213 HydrophobicContact CD-CE2 4.11Å; K181-Y213 PolarHBondContact NZ-OH 3.4Å; D211-Y213 PolarHBondContact O-N 3.37Å; D211-Y213 WeakPolarHBondContact OD1-CA 3.32Å; D211-Y213 PolarHBondContact OD1-N 3.32Å; Y213-M215 VanDerWaalsContact C-N 3.34Å; Y213-P335 HydrophobicContact CE1-CG 4.18Å |
| 214 | G | 95.7 | Very high | 97.3 | Very high | 34 Ų | 34 | 36 Ų | 36 | 35% | 0.351 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 82.9 | 9.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D211 | D211-G214 PolarHBondContact O-N 3.1Å; D211-G214 PolarHBondContact OD1-N 3.17Å |
| 215 | M | 97.1 | Very high | 97.2 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | trans | -77.3 | 134.5 | 179 | -68.4 | -68.6 | -80.9 | 0 | 0 | 110.7 | H187 K210 D211 Y213 L219 V223 L330 | H187-M215 PolarHBondContact NE2-O 3.39Å; K210-M215 CarbonylContact C-O 3.6Å; K210-M215 VanDerWaalsContact CA-O 3.24Å; K210-M215 WeakPolarHBondContact CA-O 3.45Å; D211-M215 PolarHBondContact N-O 3.5Å; D211-M215 WeakPolarHBondContact OD1-CB 3.37Å; D211-M215 PolarHBondContact OD1-N 2.98Å; Y213-M215 VanDerWaalsContact C-N 3.34Å; M215-L219 HydrophobicContact CE-CB 3.57Å; M215-L219 HydrophobicContact SD-CB 3.76Å; M215-L219 HydrophobicContact SD-CD1 4.09Å; M215-V223 HydrophobicContact CE-CB 4.43Å; M215-V223 HydrophobicContact CE-CG2 3.61Å; M215-L330 HydrophobicContact CE-CD2 3.88Å; M215-L330 HydrophobicContact SD-CD2 3.23Å; M215-L330 WeakPolarHBondContact SD-CD2 3.47Å | ||
| 216 | T | 97.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | trans | -93.5 | 161.9 | 165.9 | 63.5 | 0 | 0 | 0 | 0 | 109.7 | K210 L218 L219 S220 | K210-T216 HydrophobicContact CG-CG2 3.71Å; T216-L218 PolarHBondContact O-N 3.42Å; T216-L218 VanDerWaalsContact O-N 3.12Å; T216-L219 WeakPolarHBondContact O-CA 3.36Å; T216-L219 PolarHBondContact O-N 2.92Å; T216-L219 PolarHBondContact OG1-N 3.11Å; T216-S220 PolarHBondContact O-N 3.26Å; T216-S220 PolarHBondContact O-OG 3Å | ||
| 217 | P | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.4 | -33.6 | 174.6 | -26.8 | 35.2 | 0 | 0 | 0 | 112.9 | L186 H187 A190 M208 E209 S220 A221 | L186-P217 HydrophobicContact CB-CB 4.38Å; L186-P217 HydrophobicContact CB-CG 3.96Å; L186-P217 HydrophobicContact CD2-CB 4.33Å; L186-P217 HydrophobicContact CD2-CG 3.91Å; L186-P217 HydrophobicContact CG-CB 3.96Å; L186-P217 HydrophobicContact CG-CG 3.86Å; H187-P217 WeakPolarHBondContact NE2-CD 3.49Å; A190-P217 HydrophobicContact CB-CB 4.06Å; A190-P217 WeakPolarHBondContact CB-O 3.26Å; M208-P217 HydrophobicContact SD-CB 3.75Å; M208-P217 HydrophobicContact SD-CG 3.7Å; E209-P217 WeakPolarHBondContact O-CD 3.36Å; P217-S220 PolarHBondContact O-N 3.04Å; P217-A221 PolarHBondContact O-N 2.89Å |
| 218 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | 174.5 | 173 | 63.6 | 0 | 0 | 0 | 112.2 | T216 S222 V230 L233 T234 T239 E243 A247 | T216-L218 PolarHBondContact O-N 3.42Å; T216-L218 VanDerWaalsContact O-N 3.12Å; L218-S222 PolarHBondContact O-N 3.45Å; L218-S222 VanDerWaalsContact O-N 3.14Å; L218-S222 PolarHBondContact O-OG 3.47Å; L218-V230 HydrophobicContact CD1-CB 4.45Å; L218-V230 HydrophobicContact CD1-CG1 4.2Å; L218-V230 HydrophobicContact CD1-CG2 4.43Å; L218-L233 HydrophobicContact CB-CD1 4.15Å; L218-L233 HydrophobicContact CD1-CB 3.69Å; L218-L233 HydrophobicContact CD1-CD1 4.38Å; L218-T234 HydrophobicContact CD1-CG2 4.45Å; L218-T239 HydrophobicContact CD2-CG2 3.99Å; L218-E243 HydrophobicContact CD2-CB 4.44Å; L218-A247 HydrophobicContact CD1-CB 3.73Å; L218-A247 HydrophobicContact CD2-CB 3.61Å; L218-A247 HydrophobicContact CG-CB 3.44Å; L218-A247 VanDerWaalsContact CG-CB 3.44Å |
| 219 | L | 98.2 | Very high | 97.3 | Very high | 17 Ų | 17 | 29.2 Ų | 29.2 | 9% | 0.089 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.1 | -39 | 174.5 | -65.5 | 179.2 | 0 | 0 | 0 | 111.2 | M215 T216 A221 S222 V223 N246 A247 L250 I329 | M215-L219 HydrophobicContact CE-CB 3.57Å; M215-L219 HydrophobicContact SD-CB 3.76Å; M215-L219 HydrophobicContact SD-CD1 4.09Å; T216-L219 WeakPolarHBondContact O-CA 3.36Å; T216-L219 PolarHBondContact O-N 2.92Å; T216-L219 PolarHBondContact OG1-N 3.11Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-A221 PolarHBondContact O-N 2.99Å; L219-S222 WeakPolarHBondContact O-CA 3.49Å; L219-S222 WeakPolarHBondContact O-CB 3.26Å; L219-S222 PolarHBondContact O-N 3.3Å; L219-V223 WeakPolarHBondContact O-CG2 3.45Å; L219-V223 PolarHBondContact O-N 3.44Å; L219-N246 HydrophobicContact CD2-CB 4.42Å; L219-A247 HydrophobicContact CD2-CB 4.26Å; L219-L250 HydrophobicContact CB-CD2 4.44Å; L219-L250 HydrophobicContact CD2-CD2 4.02Å; L219-I329 HydrophobicContact CD1-CG2 4.35Å; L219-I329 HydrophobicContact CD2-CG2 4.04Å |
| 220 | S | 98 | Very high | 97.5 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 4% | 0.035 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.4 | -43.6 | 174.4 | -58.3 | 0 | 0 | 0 | 0 | 112 | T216 P217 S222 V223 T224 | T216-S220 PolarHBondContact O-N 3.26Å; T216-S220 PolarHBondContact O-OG 3Å; P217-S220 PolarHBondContact O-N 3.04Å; S220-S222 VanDerWaalsContact C-N 3.28Å; S220-S222 PolarHBondContact O-N 3.24Å; S220-V223 PolarHBondContact O-N 3.18Å; S220-T224 WeakPolarHBondContact O-CG2 3.49Å; S220-T224 PolarHBondContact O-N 2.72Å; S220-T224 PolarHBondContact O-OG1 3.44Å |
| 221 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.2 | -35.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A190 P217 L219 T224 G225 H226 I229 V230 | A190-A221 HydrophobicContact CB-CB 4.11Å; P217-A221 PolarHBondContact O-N 2.89Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-A221 PolarHBondContact O-N 2.99Å; A221-T224 WeakPolarHBondContact CA-OG1 2.85Å; A221-T224 PolarHBondContact O-OG1 3.35Å; A221-G225 PolarHBondContact O-N 3.5Å; A221-H226 PolarHBondContact O-N 3.36Å; A221-I229 HydrophobicContact CB-CB 3.99Å; A221-I229 HydrophobicContact CB-CG2 3.55Å; A221-V230 HydrophobicContact CB-CG2 3.82Å |
| 222 | S | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.6 | -41.7 | 179.9 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | L218 L219 S220 G225 V230 A247 T254 | L218-S222 PolarHBondContact O-N 3.45Å; L218-S222 VanDerWaalsContact O-N 3.14Å; L218-S222 PolarHBondContact O-OG 3.47Å; L219-S222 WeakPolarHBondContact O-CA 3.49Å; L219-S222 WeakPolarHBondContact O-CB 3.26Å; L219-S222 PolarHBondContact O-N 3.3Å; S220-S222 VanDerWaalsContact C-N 3.28Å; S220-S222 PolarHBondContact O-N 3.24Å; S222-G225 PolarHBondContact O-N 3.3Å; S222-V230 WeakPolarHBondContact OG-CG2 3.43Å; S222-A247 WeakPolarHBondContact CB-O 3.32Å; S222-A247 WeakPolarHBondContact OG-CA 3.41Å; S222-A247 WeakPolarHBondContact OG-CB 3.17Å; S222-A247 PolarHBondContact OG-O 2.93Å; S222-A247 VanDerWaalsContact OG-O 3.13Å; S222-T254 VanDerWaalsContact O-CB 3.3Å; S222-T254 WeakPolarHBondContact O-CB 3.46Å; S222-T254 PolarHBondContact O-OG1 3.06Å |
| 223 | V | 97.5 | Very high | 97.7 | Very high | 15 Ų | 15 | 22.1 Ų | 22.1 | 9% | 0.091 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.3 | -41 | 175 | 166.1 | 0 | 0 | 0 | 0 | 111.8 | M215 L219 S220 L250 T254 L330 D336 | M215-V223 HydrophobicContact CE-CB 4.43Å; M215-V223 HydrophobicContact CE-CG2 3.61Å; L219-V223 WeakPolarHBondContact O-CG2 3.45Å; L219-V223 PolarHBondContact O-N 3.44Å; S220-V223 PolarHBondContact O-N 3.18Å; V223-L250 HydrophobicContact CG2-CD2 3.62Å; V223-L250 HydrophobicContact CG2-CG 4.14Å; V223-T254 WeakPolarHBondContact CA-OG1 3.46Å; V223-T254 WeakPolarHBondContact O-CG2 3.48Å; V223-T254 PolarHBondContact O-OG1 3.07Å; V223-L330 HydrophobicContact CG2-CD1 4.37Å; V223-L330 HydrophobicContact CG2-CD2 4.46Å; V223-D336 WeakPolarHBondContact CG1-OD2 3.43Å |
| 224 | T | 96.3 | Very high | 97.9 | Very high | 23 Ų | 23 | 18.5 Ų | 18.5 | 14% | 0.141 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -78.4 | -23.6 | -179 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | E191 S220 A221 H226 K258 | E191-T224 HydrophobicContact CB-CG2 4.09Å; E191-T224 HydrophobicContact CG-CG2 3.95Å; S220-T224 WeakPolarHBondContact O-CG2 3.49Å; S220-T224 PolarHBondContact O-N 2.72Å; S220-T224 PolarHBondContact O-OG1 3.44Å; A221-T224 WeakPolarHBondContact CA-OG1 2.85Å; A221-T224 PolarHBondContact O-OG1 3.35Å; T224-H226 PolarHBondContact OG1-CD2 3.21Å; T224-K258 PolarHBondContact O-NZ 2.89Å |
| 225 | G | 97.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 24 Ų | 24 | 6% | 0.062 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | 24.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | A221 S222 T227 | A221-G225 PolarHBondContact O-N 3.5Å; S222-G225 PolarHBondContact O-N 3.3Å; G225-T227 PolarHBondContact O-N 3.23Å; G225-T227 VanDerWaalsContact O-N 3.16Å |
| 226 | H | 97.9 | Very high | 97.9 | Very high | 47 Ų | 47 | 25.8 Ų | 25.8 | 22% | 0.218 | 13% | 0.132 | C | C | . | . | trans | -85.8 | 82.6 | -177.6 | -67.8 | -54.6 | 0 | 0 | 0 | 111.4 | A190 E191 S192 G193 A221 T224 N228 I229 V230 | A190-H226 PolarHBondContact O-CD2 2.87Å; E191-H226 PolarHBondContact O-CD2 3.21Å; E191-H226 PolarHBondContact O-NE2 3.49Å; S192-H226 PolarHBondContact O-CE1 2.81Å; G193-H226 VanDerWaalsContact CA-CG 3.41Å; G193-H226 WeakPolarHBondContact CA-ND1 3.45Å; G193-H226 PolarHBondContact N-CD2 2.98Å; G193-H226 PolarHBondContact N-NE2 3.01Å; A221-H226 PolarHBondContact O-N 3.36Å; T224-H226 PolarHBondContact OG1-CD2 3.21Å; H226-N228 VanDerWaalsContact C-N 3.32Å; H226-N228 PolarHBondContact O-N 3.45Å; H226-I229 HydrophobicContact CB-CB 4.4Å; H226-I229 HydrophobicContact CB-CD1 4.47Å; H226-I229 HydrophobicContact CB-CG1 4.5Å; H226-I229 PolarHBondContact O-N 3.2Å; H226-I229 VanDerWaalsContact O-N 3.13Å; H226-V230 PolarHBondContact O-N 3.32Å; H226-V230 VanDerWaalsContact O-N 3.08Å | ||
| 227 | T | 98.1 | Very high | 97.8 | Very high | 45 Ų | 45 | 30.2 Ų | 30.2 | 28% | 0.276 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -56.8 | -39.8 | -174.5 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | G225 I229 V230 D231 L251 F255 Y268 | G225-T227 PolarHBondContact O-N 3.23Å; G225-T227 VanDerWaalsContact O-N 3.16Å; T227-I229 VanDerWaalsContact C-N 3.31Å; T227-I229 PolarHBondContact O-N 3.28Å; T227-V230 PolarHBondContact O-N 2.97Å; T227-D231 WeakPolarHBondContact O-CB 3.35Å; T227-D231 PolarHBondContact O-N 3.35Å; T227-L251 HydrophobicContact CG2-CD1 4.44Å; T227-L251 HydrophobicContact CG2-CD2 4.32Å; T227-F255 HydrophobicContact CG2-CE2 3.62Å; T227-F255 HydrophobicContact CG2-CZ 3.53Å; T227-Y268 HydrophobicContact CG2-CE2 4.29Å; T227-Y268 WeakPolarHBondContact CG2-OH 3.45Å |
| 228 | N | 98.3 | Very high | 97.8 | Very high | 65 Ų | 65 | 34.1 Ų | 34.1 | 35% | 0.348 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.5 | -41.1 | 176.4 | 60.4 | -23.6 | 0 | 0 | 0 | 112.6 | G193 H226 F232 | G193-N228 PolarHBondContact O-ND2 3.01Å; H226-N228 VanDerWaalsContact C-N 3.32Å; H226-N228 PolarHBondContact O-N 3.45Å; N228-F232 WeakPolarHBondContact O-CB 3.21Å; N228-F232 PolarHBondContact O-N 3.44Å |
| 229 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.4 | -44.9 | 176.7 | -66 | -174.7 | 0 | 0 | 0 | 110.3 | M198 A221 H226 T227 F232 L233 | M198-I229 HydrophobicContact CE-CD1 4.24Å; M198-I229 HydrophobicContact CE-CG2 3.9Å; M198-I229 HydrophobicContact CG-CG2 4.45Å; A221-I229 HydrophobicContact CB-CB 3.99Å; A221-I229 HydrophobicContact CB-CG2 3.55Å; H226-I229 HydrophobicContact CB-CB 4.4Å; H226-I229 HydrophobicContact CB-CD1 4.47Å; H226-I229 HydrophobicContact CB-CG1 4.5Å; H226-I229 PolarHBondContact O-N 3.2Å; H226-I229 VanDerWaalsContact O-N 3.13Å; T227-I229 VanDerWaalsContact C-N 3.31Å; T227-I229 PolarHBondContact O-N 3.28Å; I229-F232 PolarHBondContact O-N 3.35Å; I229-L233 HydrophobicContact CG2-CD1 3.6Å; I229-L233 HydrophobicContact CG2-CG 3.99Å; I229-L233 WeakPolarHBondContact O-CB 3.41Å; I229-L233 WeakPolarHBondContact O-CG 3.39Å; I229-L233 PolarHBondContact O-N 3.08Å |
| 230 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -47.9 | 179 | 177 | 0 | 0 | 0 | 0 | 111.2 | L218 A221 S222 H226 T227 F232 L233 T234 L248 L251 | L218-V230 HydrophobicContact CD1-CB 4.45Å; L218-V230 HydrophobicContact CD1-CG1 4.2Å; L218-V230 HydrophobicContact CD1-CG2 4.43Å; A221-V230 HydrophobicContact CB-CG2 3.82Å; S222-V230 WeakPolarHBondContact OG-CG2 3.43Å; H226-V230 PolarHBondContact O-N 3.32Å; H226-V230 VanDerWaalsContact O-N 3.08Å; T227-V230 PolarHBondContact O-N 2.97Å; V230-F232 VanDerWaalsContact C-N 3.29Å; V230-F232 PolarHBondContact O-N 3.47Å; V230-L233 PolarHBondContact O-N 3.46Å; V230-T234 HydrophobicContact CG1-CG2 4.06Å; V230-T234 WeakPolarHBondContact O-CB 3.32Å; V230-T234 WeakPolarHBondContact O-CG2 3.09Å; V230-T234 PolarHBondContact O-N 2.87Å; V230-T234 PolarHBondContact O-OG1 3.13Å; V230-L248 HydrophobicContact CG1-CD2 4.23Å; V230-L251 HydrophobicContact CB-CD2 3.98Å; V230-L251 HydrophobicContact CG1-CD2 3.8Å; V230-L251 HydrophobicContact CG2-CD2 4.15Å |
| 231 | D | 98 | Very high | 97.4 | Very high | 53 Ų | 53 | 38.6 Ų | 38.6 | 28% | 0.283 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62 | -36.5 | 178.1 | -78.3 | -33.3 | 0 | 0 | 0 | 111.4 | T227 T234 H235 K271 | T227-D231 WeakPolarHBondContact O-CB 3.35Å; T227-D231 PolarHBondContact O-N 3.35Å; D231-T234 WeakPolarHBondContact CA-OG1 3.46Å; D231-T234 PolarHBondContact O-OG1 3.11Å; D231-H235 PolarHBondContact O-ND1 3.45Å; D231-K271 IonicContact OD1-NZ 3.89Å; D231-K271 PolarHBondContact OD1-NZ 2.9Å |
| 232 | F | 98.4 | Very high | 97.2 | Very high | 63 Ų | 63 | 41.7 Ų | 41.7 | 28% | 0.276 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.6 | -51.9 | 174.1 | 172.9 | -108.8 | 0 | 0 | 0 | 112.4 | L195 M198 K199 L202 N228 I229 V230 T234 H235 | L195-F232 HydrophobicContact CD1-CB 3.64Å; L195-F232 HydrophobicContact CD1-CD1 3.68Å; L195-F232 HydrophobicContact CD1-CD2 4.32Å; L195-F232 HydrophobicContact CD1-CE1 4.44Å; L195-F232 HydrophobicContact CD1-CG 3.61Å; M198-F232 HydrophobicContact CG-CD1 4.2Å; M198-F232 HydrophobicContact CG-CE1 4.21Å; K199-F232 HydrophobicContact CG-CE1 4.11Å; K199-F232 HydrophobicContact CG-CE2 4.2Å; K199-F232 HydrophobicContact CG-CZ 3.79Å; L202-F232 HydrophobicContact CD1-CE1 3.66Å; L202-F232 HydrophobicContact CD1-CZ 4.24Å; N228-F232 WeakPolarHBondContact O-CB 3.21Å; N228-F232 PolarHBondContact O-N 3.44Å; I229-F232 PolarHBondContact O-N 3.35Å; V230-F232 VanDerWaalsContact C-N 3.29Å; V230-F232 PolarHBondContact O-N 3.47Å; F232-T234 VanDerWaalsContact C-N 3.3Å; F232-T234 PolarHBondContact O-N 2.91Å; F232-H235 PolarHBondContact O-N 3.34Å; F232-H235 VanDerWaalsContact O-N 3.16Å |
| 233 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.9 | -22.7 | -174.7 | -70 | -173.4 | 0 | 0 | 0 | 113.6 | M198 L202 M208 L218 I229 V230 H235 H236 T239 | M198-L233 HydrophobicContact CE-CD1 4.24Å; M198-L233 HydrophobicContact CG-CD2 4.32Å; M198-L233 HydrophobicContact SD-CD1 4.07Å; M198-L233 HydrophobicContact SD-CD2 4.06Å; M198-L233 HydrophobicContact SD-CG 4.41Å; L202-L233 HydrophobicContact CD1-CD2 4.02Å; M208-L233 HydrophobicContact CE-CD1 3.45Å; M208-L233 VanDerWaalsContact CE-CD1 3.45Å; M208-L233 HydrophobicContact CE-CD2 3.25Å; M208-L233 HydrophobicContact CE-CG 3.91Å; M208-L233 HydrophobicContact SD-CD1 4.44Å; L218-L233 HydrophobicContact CB-CD1 4.15Å; L218-L233 HydrophobicContact CD1-CB 3.69Å; L218-L233 HydrophobicContact CD1-CD1 4.38Å; I229-L233 HydrophobicContact CG2-CD1 3.6Å; I229-L233 HydrophobicContact CG2-CG 3.99Å; I229-L233 WeakPolarHBondContact O-CB 3.41Å; I229-L233 WeakPolarHBondContact O-CG 3.39Å; I229-L233 PolarHBondContact O-N 3.08Å; V230-L233 PolarHBondContact O-N 3.46Å; L233-H235 PolarHBondContact O-N 2.98Å; L233-H236 HydrophobicContact CD2-CB 4.17Å; L233-H236 WeakPolarHBondContact O-CB 3.35Å; L233-H236 PolarHBondContact O-N 3.1Å; L233-H236 VanDerWaalsContact O-N 3.12Å; L233-T239 WeakPolarHBondContact O-CG2 3.38Å; L233-T239 PolarHBondContact O-OG1 3.15Å |
| 234 | T | 97.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.7 | 172 | 46.3 | 0 | 0 | 0 | 0 | 113.8 | L218 V230 D231 F232 R244 L248 | L218-T234 HydrophobicContact CD1-CG2 4.45Å; V230-T234 HydrophobicContact CG1-CG2 4.06Å; V230-T234 WeakPolarHBondContact O-CB 3.32Å; V230-T234 WeakPolarHBondContact O-CG2 3.09Å; V230-T234 PolarHBondContact O-N 2.87Å; V230-T234 PolarHBondContact O-OG1 3.13Å; D231-T234 WeakPolarHBondContact CA-OG1 3.46Å; D231-T234 PolarHBondContact O-OG1 3.11Å; F232-T234 VanDerWaalsContact C-N 3.3Å; F232-T234 PolarHBondContact O-N 2.91Å; T234-R244 HydrophobicContact CG2-CB 4.16Å; T234-R244 HydrophobicContact CG2-CG 4.43Å; T234-R244 WeakPolarHBondContact O-CD 3.47Å; T234-R244 PolarHBondContact O-NE 3.08Å; T234-R244 VanDerWaalsContact O-NE 3.17Å; T234-R244 PolarHBondContact O-NH1 3.33Å; T234-L248 HydrophobicContact CG2-CD1 4.41Å; T234-L248 HydrophobicContact CG2-CD2 4.28Å; T234-L248 HydrophobicContact CG2-CG 4.11Å |
| 235 | H | 96.2 | Very high | 97.2 | Very high | 151 Ų | 151 | 45 Ų | 45 | 70% | 0.699 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -0.1 | 174.4 | -59.6 | 86.7 | 0 | 0 | 0 | 112.6 | D231 F232 L233 | D231-H235 PolarHBondContact O-ND1 3.45Å; F232-H235 PolarHBondContact O-N 3.34Å; F232-H235 VanDerWaalsContact O-N 3.16Å; L233-H235 PolarHBondContact O-N 2.98Å |
| 236 | H | 97.1 | Very high | 97.2 | Very high | 43 Ų | 43 | 46.3 Ų | 46.3 | 20% | 0.199 | 25% | 0.247 | C | C | . | . | trans | -82.4 | 142.1 | -174.6 | -166.6 | -96.2 | 0 | 0 | 0 | 112.6 | L233 Q238 T239 R244 | L233-H236 HydrophobicContact CD2-CB 4.17Å; L233-H236 WeakPolarHBondContact O-CB 3.35Å; L233-H236 PolarHBondContact O-N 3.1Å; L233-H236 VanDerWaalsContact O-N 3.12Å; H236-Q238 VanDerWaalsContact C-N 3.29Å; H236-Q238 PolarHBondContact ND1-N 3.04Å; H236-Q238 PolarHBondContact O-N 2.98Å; H236-T239 PolarHBondContact O-N 3.18Å; H236-T239 VanDerWaalsContact O-N 3.17Å; H236-T239 PolarHBondContact O-OG1 2.97Å; H236-R244 PolarHBondContact O-NH2 3.17Å | ||
| 237 | A | 96.3 | Very high | 97.2 | Very high | 96 Ų | 96 | 44 Ų | 44 | 79% | 0.793 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -29.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T239 | A237-T239 VanDerWaalsContact C-N 3.26Å; A237-T239 PolarHBondContact O-N 3.46Å |
| 238 | Q | 97.3 | Very high | 97.3 | Very high | 82 Ų | 82 | 42.1 Ų | 42.1 | 38% | 0.383 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -11.1 | 179.2 | -66.3 | -174.4 | 16.9 | 0 | 0 | 114.2 | A206 M208 H236 | A206-Q238 PolarHBondContact O-NE2 3.13Å; A206-Q238 VanDerWaalsContact O-NE2 3.08Å; A206-Q238 PolarHBondContact O-OE1 3.49Å; M208-Q238 HydrophobicContact CB-CB 4.18Å; M208-Q238 HydrophobicContact CG-CB 3.81Å; H236-Q238 VanDerWaalsContact C-N 3.29Å; H236-Q238 PolarHBondContact ND1-N 3.04Å; H236-Q238 PolarHBondContact O-N 2.98Å |
| 239 | T | 96.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -99.8 | 131.1 | -178.2 | 63.7 | 0 | 0 | 0 | 0 | 110.7 | M208 L218 L233 H236 A237 R244 | M208-T239 HydrophobicContact CG-CG2 4.42Å; L218-T239 HydrophobicContact CD2-CG2 3.99Å; L233-T239 WeakPolarHBondContact O-CG2 3.38Å; L233-T239 PolarHBondContact O-OG1 3.15Å; H236-T239 PolarHBondContact O-N 3.18Å; H236-T239 VanDerWaalsContact O-N 3.17Å; H236-T239 PolarHBondContact O-OG1 2.97Å; A237-T239 VanDerWaalsContact C-N 3.26Å; A237-T239 PolarHBondContact O-N 3.46Å; T239-R244 VanDerWaalsContact O-CZ 3.26Å; T239-R244 PolarHBondContact O-NE 2.88Å; T239-R244 PolarHBondContact O-NH2 2.95Å; T239-R244 WeakPolarHBondContact OG1-CG 3.21Å; T239-R244 PolarHBondContact OG1-NE 3.46Å |
| 240 | S | 95 | Very high | 97.3 | Very high | 53 Ų | 53 | 39.3 Ų | 39.3 | 37% | 0.371 | 21% | 0.209 | S | C | . | . | trans | -77.1 | 157.6 | 176.9 | 67.3 | 0 | 0 | 0 | 0 | 112.1 | T242 E243 R244 | S240-T242 VanDerWaalsContact C-N 3.26Å; S240-T242 PolarHBondContact O-N 3.46Å; S240-E243 WeakPolarHBondContact CB-OE2 3.29Å; S240-E243 PolarHBondContact N-OE2 3.45Å; S240-E243 PolarHBondContact O-N 3.26Å; S240-E243 VanDerWaalsContact O-N 3.14Å; S240-E243 WeakPolarHBondContact OG-CB 3.48Å; S240-E243 WeakPolarHBondContact OG-CG 3.49Å; S240-E243 PolarHBondContact OG-N 2.88Å; S240-E243 PolarHBondContact OG-OE2 3.13Å; S240-R244 WeakPolarHBondContact O-CG 3.24Å; S240-R244 PolarHBondContact O-N 2.64Å | ||
| 241 | K | 94.8 | Very high | 97.3 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 25% | 0.248 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.3 | -43.2 | 176.5 | -171.2 | 180 | 172.5 | -171.4 | 0 | 111.9 | R244 I245 M275 N282 I284 | K241-R244 PolarHBondContact O-N 2.76Å; K241-I245 HydrophobicContact CG-CD1 4.06Å; K241-I245 WeakPolarHBondContact O-CD1 3.49Å; K241-I245 VanDerWaalsContact O-CG1 3.29Å; K241-I245 WeakPolarHBondContact O-CG1 2.96Å; K241-I245 PolarHBondContact O-N 2.93Å; K241-I245 VanDerWaalsContact O-N 3.1Å; K241-M275 WeakPolarHBondContact CE-O 3.34Å; K241-M275 HydrophobicContact CG-CG 4.48Å; K241-N282 PolarHBondContact NZ-O 2.7Å; K241-I284 HydrophobicContact CB-CD1 4.07Å; K241-I284 HydrophobicContact CD-CD1 3.72Å; K241-I284 HydrophobicContact CG-CD1 3.75Å |
| 242 | T | 95.2 | Very high | 97.3 | Very high | 65 Ų | 65 | 36.8 Ų | 36.8 | 40% | 0.399 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.3 | -52.3 | 0 | 0 | 0 | 0 | 112.5 | S240 R244 I245 N246 | S240-T242 VanDerWaalsContact C-N 3.26Å; S240-T242 PolarHBondContact O-N 3.46Å; T242-R244 VanDerWaalsContact C-N 3.35Å; T242-R244 PolarHBondContact O-N 2.94Å; T242-I245 PolarHBondContact O-N 2.85Å; T242-N246 PolarHBondContact O-N 3.16Å |
| 243 | E | 96.3 | Very high | 97.3 | Very high | 47 Ų | 47 | 33.8 Ų | 33.8 | 22% | 0.22 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 178.4 | -72.8 | 164.5 | 142.9 | 0 | 0 | 111.8 | L218 S240 I245 N246 A247 | L218-E243 HydrophobicContact CD2-CB 4.44Å; S240-E243 WeakPolarHBondContact CB-OE2 3.29Å; S240-E243 PolarHBondContact N-OE2 3.45Å; S240-E243 PolarHBondContact O-N 3.26Å; S240-E243 VanDerWaalsContact O-N 3.14Å; S240-E243 WeakPolarHBondContact OG-CB 3.48Å; S240-E243 WeakPolarHBondContact OG-CG 3.49Å; S240-E243 PolarHBondContact OG-N 2.88Å; S240-E243 PolarHBondContact OG-OE2 3.13Å; E243-I245 PolarHBondContact O-N 3.03Å; E243-N246 PolarHBondContact O-N 3.44Å; E243-A247 WeakPolarHBondContact O-CB 3.31Å; E243-A247 PolarHBondContact O-N 3.18Å |
| 244 | R | 97.7 | Very high | 97.3 | Very high | 59 Ų | 59 | 33.8 Ų | 33.8 | 22% | 0.223 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 176.8 | -62.3 | 167.7 | -176.6 | -170.2 | 11.8 | 111.9 | T234 H236 T239 S240 K241 T242 A247 L248 M275 | T234-R244 HydrophobicContact CG2-CB 4.16Å; T234-R244 HydrophobicContact CG2-CG 4.43Å; T234-R244 WeakPolarHBondContact O-CD 3.47Å; T234-R244 PolarHBondContact O-NE 3.08Å; T234-R244 VanDerWaalsContact O-NE 3.17Å; T234-R244 PolarHBondContact O-NH1 3.33Å; H236-R244 PolarHBondContact O-NH2 3.17Å; T239-R244 VanDerWaalsContact O-CZ 3.26Å; T239-R244 PolarHBondContact O-NE 2.88Å; T239-R244 PolarHBondContact O-NH2 2.95Å; T239-R244 WeakPolarHBondContact OG1-CG 3.21Å; T239-R244 PolarHBondContact OG1-NE 3.46Å; S240-R244 WeakPolarHBondContact O-CG 3.24Å; S240-R244 PolarHBondContact O-N 2.64Å; K241-R244 PolarHBondContact O-N 2.76Å; T242-R244 VanDerWaalsContact C-N 3.35Å; T242-R244 PolarHBondContact O-N 2.94Å; R244-A247 PolarHBondContact O-N 3.02Å; R244-L248 WeakPolarHBondContact O-CG 3.28Å; R244-L248 PolarHBondContact O-N 2.89Å; R244-L248 VanDerWaalsContact O-N 3.08Å; R244-M275 HydrophobicContact CB-CE 4.44Å; R244-M275 HydrophobicContact CB-SD 3.68Å |
| 245 | I | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.5 | -52.3 | 176.1 | -68.5 | 162.3 | 0 | 0 | 0 | 110.2 | K241 T242 E243 A247 L248 E249 A272 M275 R276 I284 | K241-I245 HydrophobicContact CG-CD1 4.06Å; K241-I245 WeakPolarHBondContact O-CD1 3.49Å; K241-I245 VanDerWaalsContact O-CG1 3.29Å; K241-I245 WeakPolarHBondContact O-CG1 2.96Å; K241-I245 PolarHBondContact O-N 2.93Å; K241-I245 VanDerWaalsContact O-N 3.1Å; T242-I245 PolarHBondContact O-N 2.85Å; E243-I245 PolarHBondContact O-N 3.03Å; I245-A247 VanDerWaalsContact C-N 3.28Å; I245-A247 PolarHBondContact O-N 3.29Å; I245-L248 PolarHBondContact O-N 3.13Å; I245-E249 WeakPolarHBondContact O-CG 3.26Å; I245-E249 PolarHBondContact O-N 3.34Å; I245-A272 HydrophobicContact CG2-CB 4.45Å; I245-M275 HydrophobicContact CD1-CG 4.14Å; I245-M275 HydrophobicContact CG1-CB 3.91Å; I245-M275 HydrophobicContact CG1-CG 3.65Å; I245-M275 HydrophobicContact CG1-SD 3.71Å; I245-R276 HydrophobicContact CD1-CG 3.87Å; I245-R276 HydrophobicContact CG1-CG 4.31Å; I245-R276 HydrophobicContact CG2-CG 3.63Å; I245-I284 HydrophobicContact CD1-CB 4.2Å; I245-I284 HydrophobicContact CD1-CD1 3.83Å; I245-I284 HydrophobicContact CD1-CG1 4.48Å |
| 246 | N | 97.8 | Very high | 97.4 | Very high | 34 Ų | 34 | 27.7 Ų | 27.7 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.3 | -40.5 | 179.6 | -75.1 | -13.9 | 0 | 0 | 0 | 111.5 | L219 T242 E243 L248 E249 L250 R328 I329 | L219-N246 HydrophobicContact CD2-CB 4.42Å; T242-N246 PolarHBondContact O-N 3.16Å; E243-N246 PolarHBondContact O-N 3.44Å; N246-L248 PolarHBondContact O-N 3.19Å; N246-E249 PolarHBondContact O-N 2.93Å; N246-L250 VanDerWaalsContact O-CB 3.24Å; N246-L250 WeakPolarHBondContact O-CB 3.3Å; N246-L250 PolarHBondContact O-N 2.91Å; N246-R328 PolarHBondContact OD1-NH1 3.42Å; N246-R328 VanDerWaalsContact OD1-NH1 3.13Å; N246-I329 HydrophobicContact CB-CD1 3.88Å; N246-I329 HydrophobicContact CB-CG1 4.15Å; N246-I329 HydrophobicContact CB-CG2 4.11Å; N246-I329 VanDerWaalsContact O-CD1 3.29Å; N246-I329 WeakPolarHBondContact O-CD1 3.4Å |
| 247 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L218 L219 S222 E243 R244 I245 L250 L251 | L218-A247 HydrophobicContact CD1-CB 3.73Å; L218-A247 HydrophobicContact CD2-CB 3.61Å; L218-A247 HydrophobicContact CG-CB 3.44Å; L218-A247 VanDerWaalsContact CG-CB 3.44Å; L219-A247 HydrophobicContact CD2-CB 4.26Å; S222-A247 WeakPolarHBondContact CB-O 3.32Å; S222-A247 WeakPolarHBondContact OG-CA 3.41Å; S222-A247 WeakPolarHBondContact OG-CB 3.17Å; S222-A247 PolarHBondContact OG-O 2.93Å; S222-A247 VanDerWaalsContact OG-O 3.13Å; E243-A247 WeakPolarHBondContact O-CB 3.31Å; E243-A247 PolarHBondContact O-N 3.18Å; R244-A247 PolarHBondContact O-N 3.02Å; I245-A247 VanDerWaalsContact C-N 3.28Å; I245-A247 PolarHBondContact O-N 3.29Å; A247-L250 PolarHBondContact O-N 2.7Å; A247-L251 WeakPolarHBondContact O-CB 3.46Å; A247-L251 PolarHBondContact O-N 3.13Å |
| 248 | L | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 176.7 | -70 | 167.7 | 0 | 0 | 0 | 112.1 | V230 T234 R244 I245 N246 G252 Y268 K271 A272 M275 | V230-L248 HydrophobicContact CG1-CD2 4.23Å; T234-L248 HydrophobicContact CG2-CD1 4.41Å; T234-L248 HydrophobicContact CG2-CD2 4.28Å; T234-L248 HydrophobicContact CG2-CG 4.11Å; R244-L248 WeakPolarHBondContact O-CG 3.28Å; R244-L248 PolarHBondContact O-N 2.89Å; R244-L248 VanDerWaalsContact O-N 3.08Å; I245-L248 PolarHBondContact O-N 3.13Å; N246-L248 PolarHBondContact O-N 3.19Å; L248-G252 PolarHBondContact O-N 2.91Å; L248-Y268 HydrophobicContact CD2-CD1 4.02Å; L248-K271 HydrophobicContact CD1-CB 4.21Å; L248-K271 HydrophobicContact CD2-CD 4.4Å; L248-A272 HydrophobicContact CB-CB 3.77Å; L248-M275 HydrophobicContact CD1-CE 3.83Å; L248-M275 HydrophobicContact CD1-SD 4.38Å |
| 249 | E | 98.4 | Very high | 97 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.1 | -47.8 | 175.9 | -69.7 | 176.1 | 157.3 | 0 | 0 | 111.9 | I245 N246 L251 G252 A253 W269 A272 R276 K286 I325 R328 I329 | I245-E249 WeakPolarHBondContact O-CG 3.26Å; I245-E249 PolarHBondContact O-N 3.34Å; N246-E249 PolarHBondContact O-N 2.93Å; E249-L251 VanDerWaalsContact C-N 3.35Å; E249-G252 PolarHBondContact O-N 2.78Å; E249-A253 PolarHBondContact O-N 3.42Å; E249-W269 PolarHBondContact O-NE1 2.8Å; E249-A272 HydrophobicContact CG-CB 3.56Å; E249-R276 IonicContact OE1-CZ 2.54Å; E249-R276 IonicContact OE1-NE 3.09Å; E249-R276 PolarHBondContact OE1-NE 3.37Å; E249-R276 IonicContact OE1-NH2 3.73Å; E249-R276 PolarHBondContact OE1-NH2 3.12Å; E249-R276 IonicContact OE2-CZ 3.15Å; E249-R276 IonicContact OE2-NH2 3.59Å; E249-R276 PolarHBondContact OE2-NH2 3.16Å; E249-K286 VanDerWaalsContact OE1-CE 3.26Å; E249-K286 WeakPolarHBondContact OE1-CE 3.09Å; E249-K286 IonicContact OE1-NZ 3.31Å; E249-I325 HydrophobicContact CB-CG2 3.76Å; E249-R328 IonicContact OE1-NH2 2.74Å; E249-R328 IonicContact OE2-CZ 2.79Å; E249-R328 IonicContact OE2-NH1 3.47Å; E249-R328 PolarHBondContact OE2-NH1 3Å; E249-R328 IonicContact OE2-NH2 3.74Å; E249-R328 PolarHBondContact OE2-NH2 3.4Å; E249-I329 HydrophobicContact CB-CD1 3.99Å |
| 250 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 178.7 | -173.4 | 60.7 | 0 | 0 | 0 | 111.7 | L219 V223 N246 A247 G252 A253 T254 R326 I329 L330 | L219-L250 HydrophobicContact CB-CD2 4.44Å; L219-L250 HydrophobicContact CD2-CD2 4.02Å; V223-L250 HydrophobicContact CG2-CD2 3.62Å; V223-L250 HydrophobicContact CG2-CG 4.14Å; N246-L250 VanDerWaalsContact O-CB 3.24Å; N246-L250 WeakPolarHBondContact O-CB 3.3Å; N246-L250 PolarHBondContact O-N 2.91Å; A247-L250 PolarHBondContact O-N 2.7Å; L250-G252 VanDerWaalsContact C-N 3.32Å; L250-G252 PolarHBondContact O-N 3.3Å; L250-A253 WeakPolarHBondContact O-CB 3.41Å; L250-A253 PolarHBondContact O-N 3.38Å; L250-T254 PolarHBondContact O-N 2.98Å; L250-T254 PolarHBondContact O-OG1 2.88Å; L250-T254 VanDerWaalsContact O-OG1 3.13Å; L250-R326 HydrophobicContact CD1-CB 4.23Å; L250-R326 HydrophobicContact CD1-CG 4.14Å; L250-I329 HydrophobicContact CB-CD1 4.09Å; L250-I329 HydrophobicContact CD2-CG2 4.11Å; L250-L330 HydrophobicContact CD1-CD1 4.41Å; L250-L330 HydrophobicContact CD1-CG 4.29Å; L250-L330 HydrophobicContact CD2-CD2 3.73Å; L250-L330 HydrophobicContact CD2-CG 4.33Å |
| 251 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.1 | -42.6 | 172.2 | 180 | 62.4 | 0 | 0 | 0 | 110.8 | T227 V230 A247 E249 A253 T254 F255 Y268 | T227-L251 HydrophobicContact CG2-CD1 4.44Å; T227-L251 HydrophobicContact CG2-CD2 4.32Å; V230-L251 HydrophobicContact CB-CD2 3.98Å; V230-L251 HydrophobicContact CG1-CD2 3.8Å; V230-L251 HydrophobicContact CG2-CD2 4.15Å; A247-L251 WeakPolarHBondContact O-CB 3.46Å; A247-L251 PolarHBondContact O-N 3.13Å; E249-L251 VanDerWaalsContact C-N 3.35Å; L251-A253 VanDerWaalsContact C-N 3.35Å; L251-A253 PolarHBondContact O-N 3.26Å; L251-T254 WeakPolarHBondContact O-CB 3.43Å; L251-T254 PolarHBondContact O-N 2.79Å; L251-F255 HydrophobicContact CD1-CD2 3.91Å; L251-F255 HydrophobicContact CD1-CE2 3.73Å; L251-F255 HydrophobicContact CG-CD2 4.14Å; L251-F255 HydrophobicContact CG-CE2 4.13Å; L251-F255 VanDerWaalsContact O-CD2 3.3Å; L251-F255 WeakPolarHBondContact O-CD2 3.38Å; L251-F255 PolarHBondContact O-N 2.83Å; L251-Y268 HydrophobicContact CD2-CD1 3.66Å; L251-Y268 HydrophobicContact CD2-CD2 4.07Å; L251-Y268 HydrophobicContact CD2-CE1 3.57Å; L251-Y268 HydrophobicContact CD2-CE2 4Å; L251-Y268 HydrophobicContact CD2-CG 3.93Å; L251-Y268 HydrophobicContact CG-CD1 4.43Å; L251-Y268 HydrophobicContact CG-CD2 4.09Å; L251-Y268 HydrophobicContact CG-CE2 4.26Å; L251-Y268 HydrophobicContact CG-CG 4.21Å |
| 252 | G | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.8 | -43.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L248 E249 L250 T254 F255 V256 A265 | L248-G252 PolarHBondContact O-N 2.91Å; E249-G252 PolarHBondContact O-N 2.78Å; L250-G252 VanDerWaalsContact C-N 3.32Å; L250-G252 PolarHBondContact O-N 3.3Å; G252-T254 VanDerWaalsContact C-N 3.35Å; G252-T254 PolarHBondContact O-N 2.74Å; G252-F255 WeakPolarHBondContact O-CB 3.34Å; G252-F255 PolarHBondContact O-N 2.69Å; G252-F255 VanDerWaalsContact O-N 3.1Å; G252-V256 PolarHBondContact O-N 2.75Å; G252-V256 VanDerWaalsContact O-N 3.08Å; G252-A265 WeakPolarHBondContact O-CB 3.26Å |
| 253 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E249 L250 L251 F255 V256 D257 A322 I325 | E249-A253 PolarHBondContact O-N 3.42Å; L250-A253 WeakPolarHBondContact O-CB 3.41Å; L250-A253 PolarHBondContact O-N 3.38Å; L251-A253 VanDerWaalsContact C-N 3.35Å; L251-A253 PolarHBondContact O-N 3.26Å; A253-F255 VanDerWaalsContact C-N 3.3Å; A253-F255 PolarHBondContact O-N 3.34Å; A253-V256 PolarHBondContact O-N 2.75Å; A253-D257 PolarHBondContact O-N 3.3Å; A253-A322 HydrophobicContact CB-CB 3.78Å; A253-I325 HydrophobicContact CB-CG2 4.29Å |
| 254 | T | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -37.4 | 172.9 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | S222 V223 L250 L251 G252 D257 K258 K259 | S222-T254 VanDerWaalsContact O-CB 3.3Å; S222-T254 WeakPolarHBondContact O-CB 3.46Å; S222-T254 PolarHBondContact O-OG1 3.06Å; V223-T254 WeakPolarHBondContact CA-OG1 3.46Å; V223-T254 WeakPolarHBondContact O-CG2 3.48Å; V223-T254 PolarHBondContact O-OG1 3.07Å; L250-T254 PolarHBondContact O-N 2.98Å; L250-T254 PolarHBondContact O-OG1 2.88Å; L250-T254 VanDerWaalsContact O-OG1 3.13Å; L251-T254 WeakPolarHBondContact O-CB 3.43Å; L251-T254 PolarHBondContact O-N 2.79Å; G252-T254 VanDerWaalsContact C-N 3.35Å; G252-T254 PolarHBondContact O-N 2.74Å; T254-D257 PolarHBondContact O-N 3.12Å; T254-K258 HydrophobicContact CG2-CB 4.07Å; T254-K258 HydrophobicContact CG2-CD 4.25Å; T254-K258 WeakPolarHBondContact O-CA 3.41Å; T254-K258 VanDerWaalsContact O-CB 3.31Å; T254-K258 WeakPolarHBondContact O-CB 3.5Å; T254-K258 PolarHBondContact O-N 3.36Å; T254-K259 PolarHBondContact O-N 3.18Å |
| 255 | F | 98.1 | Very high | 97 | Very high | 21 Ų | 21 | 34.4 Ų | 34.4 | 9% | 0.092 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -64.6 | -40.5 | 176.3 | -95.7 | -114.2 | 0 | 0 | 0 | 112.3 | T227 L251 G252 A253 K259 R260 D261 A265 Y268 | T227-F255 HydrophobicContact CG2-CE2 3.62Å; T227-F255 HydrophobicContact CG2-CZ 3.53Å; L251-F255 HydrophobicContact CD1-CD2 3.91Å; L251-F255 HydrophobicContact CD1-CE2 3.73Å; L251-F255 HydrophobicContact CG-CD2 4.14Å; L251-F255 HydrophobicContact CG-CE2 4.13Å; L251-F255 VanDerWaalsContact O-CD2 3.3Å; L251-F255 WeakPolarHBondContact O-CD2 3.38Å; L251-F255 PolarHBondContact O-N 2.83Å; G252-F255 WeakPolarHBondContact O-CB 3.34Å; G252-F255 PolarHBondContact O-N 2.69Å; G252-F255 VanDerWaalsContact O-N 3.1Å; A253-F255 VanDerWaalsContact C-N 3.3Å; A253-F255 PolarHBondContact O-N 3.34Å; F255-K259 HydrophobicContact CD1-CB 4.31Å; F255-K259 HydrophobicContact CD1-CG 4.47Å; F255-K259 HydrophobicContact CD2-CG 4.17Å; F255-K259 HydrophobicContact CE2-CG 4.28Å; F255-K259 HydrophobicContact CG-CB 4.33Å; F255-K259 HydrophobicContact CG-CG 4.26Å; F255-K259 HydrophobicContact CZ-CG 4.46Å; F255-K259 CarbonylContact O-C 3.53Å; F255-K259 PolarHBondContact O-N 3.35Å; F255-R260 PolarHBondContact O-N 2.88Å; F255-D261 HydrophobicContact CD1-CB 3.96Å; F255-D261 PolarHBondContact O-N 2.85Å; F255-A265 HydrophobicContact CB-CB 3.88Å; F255-Y268 HydrophobicContact CD1-CE2 4.23Å; F255-Y268 HydrophobicContact CD2-CD2 4.25Å; F255-Y268 HydrophobicContact CD2-CE2 4.07Å; F255-Y268 AromaticContact CE1-CE2 3.89Å; F255-Y268 HydrophobicContact CE1-CE2 3.89Å; F255-Y268 HydrophobicContact CE2-CD2 4.33Å; F255-Y268 AromaticContact CE2-CE2 3.71Å; F255-Y268 HydrophobicContact CE2-CE2 3.71Å; F255-Y268 HydrophobicContact CG-CD2 4.37Å; F255-Y268 HydrophobicContact CG-CE2 4.33Å; F255-Y268 AromaticContact CZ-CE2 3.62Å; F255-Y268 HydrophobicContact CZ-CE2 3.62Å |
| 256 | V | 97.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 5% | 0.048 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -59.2 | -51.7 | 174.3 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | G252 A253 L262 A265 W269 R319 A322 | G252-V256 PolarHBondContact O-N 2.75Å; G252-V256 VanDerWaalsContact O-N 3.08Å; A253-V256 PolarHBondContact O-N 2.75Å; V256-L262 HydrophobicContact CB-CD2 4.29Å; V256-L262 HydrophobicContact CG1-CD2 3.92Å; V256-L262 HydrophobicContact CG2-CD2 3.96Å; V256-A265 HydrophobicContact CG2-CB 3.5Å; V256-W269 HydrophobicContact CG2-CH2 3.64Å; V256-W269 HydrophobicContact CG2-CZ2 3.96Å; V256-R319 HydrophobicContact CG1-CB 4.35Å; V256-R319 HydrophobicContact CG1-CG 3.77Å; V256-A322 HydrophobicContact CB-CB 3.98Å; V256-A322 HydrophobicContact CG1-CB 4.08Å; V256-A322 HydrophobicContact CG2-CB 4.27Å |
| 257 | D | 95.2 | Very high | 96.9 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -88.2 | -47.3 | -169 | -61.9 | -47.3 | 0 | 0 | 0 | 114 | A253 T254 R326 Y340 Y343 R344 | A253-D257 PolarHBondContact O-N 3.3Å; T254-D257 PolarHBondContact O-N 3.12Å; D257-R326 IonicContact OD2-CZ 2.71Å; D257-R326 IonicContact OD2-NH1 2.75Å; D257-R326 PolarHBondContact OD2-NH1 3.4Å; D257-R326 IonicContact OD2-NH2 2.85Å; D257-Y340 HydrophobicContact CB-CD1 3.58Å; D257-Y340 HydrophobicContact CB-CE1 3.37Å; D257-Y343 HydrophobicContact CB-CE1 4.36Å; D257-R344 IonicContact OD1-CZ 3.39Å; D257-R344 IonicContact OD1-NH2 3.63Å; D257-R344 PolarHBondContact OD1-NH2 2.96Å |
| 258 | K | 94 | Very high | 96.9 | Very high | 106 Ų | 106 | 39.6 Ų | 39.6 | 46% | 0.461 | 18% | 0.18 | S | C | . | . | I | π-helix | trans | -90.3 | -42.1 | -172 | -169.1 | 178.4 | -177.5 | -177.6 | 0 | 112.3 | T224 T254 | T224-K258 PolarHBondContact O-NZ 2.89Å; T254-K258 HydrophobicContact CG2-CB 4.07Å; T254-K258 HydrophobicContact CG2-CD 4.25Å; T254-K258 WeakPolarHBondContact O-CA 3.41Å; T254-K258 VanDerWaalsContact O-CB 3.31Å; T254-K258 WeakPolarHBondContact O-CB 3.5Å; T254-K258 PolarHBondContact O-N 3.36Å |
| 259 | K | 92.4 | Very high | 96.8 | Very high | 107 Ų | 107 | 39.9 Ų | 39.9 | 47% | 0.465 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -89.5 | -15.9 | -179.5 | -55.6 | -64.9 | -175.1 | 173.8 | 0 | 113.1 | T254 F255 D261 | T254-K259 PolarHBondContact O-N 3.18Å; F255-K259 HydrophobicContact CD1-CB 4.31Å; F255-K259 HydrophobicContact CD1-CG 4.47Å; F255-K259 HydrophobicContact CD2-CG 4.17Å; F255-K259 HydrophobicContact CE2-CG 4.28Å; F255-K259 HydrophobicContact CG-CB 4.33Å; F255-K259 HydrophobicContact CG-CG 4.26Å; F255-K259 HydrophobicContact CZ-CG 4.46Å; F255-K259 CarbonylContact O-C 3.53Å; F255-K259 PolarHBondContact O-N 3.35Å; K259-D261 HydrophobicContact CB-CB 4.32Å; K259-D261 PolarHBondContact O-N 3.4Å |
| 260 | R | 93.9 | Very high | 96.8 | Very high | 198 Ų | 198 | 42.6 Ų | 42.6 | 75% | 0.747 | 19% | 0.193 | S | C | * | . | trans | 54.7 | 36.1 | -175.8 | -55.7 | 179.9 | 177.8 | -170.5 | -3.6 | 112.2 | F255 | F255-R260 PolarHBondContact O-N 2.88Š| ||
| 261 | D | 96.5 | Very high | 96.7 | Very high | 62 Ų | 62 | 46.1 Ų | 46.1 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | trans | -120.5 | 94.6 | -176.7 | 176.3 | 12.4 | 0 | 0 | 0 | 110.2 | F255 K259 L263 G264 A265 | F255-D261 HydrophobicContact CD1-CB 3.96Å; F255-D261 PolarHBondContact O-N 2.85Å; K259-D261 HydrophobicContact CB-CB 4.32Å; K259-D261 PolarHBondContact O-N 3.4Å; D261-L263 PolarHBondContact OD1-N 2.81Å; D261-G264 PolarHBondContact OD1-N 3.39Å; D261-G264 WeakPolarHBondContact OD2-CA 3.48Å; D261-G264 PolarHBondContact OD2-N 2.79Å; D261-A265 WeakPolarHBondContact O-CB 3.31Å; D261-A265 PolarHBondContact O-N 3.37Å | ||
| 262 | L | 96.1 | Very high | 96.7 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 25% | 0.246 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.1 | -35.4 | -179.1 | -61.8 | -178.1 | 0 | 0 | 0 | 112.3 | V256 A265 L266 P315 M318 | V256-L262 HydrophobicContact CB-CD2 4.29Å; V256-L262 HydrophobicContact CG1-CD2 3.92Å; V256-L262 HydrophobicContact CG2-CD2 3.96Å; L262-A265 WeakPolarHBondContact O-CB 3.37Å; L262-A265 PolarHBondContact O-N 3.17Å; L262-L266 WeakPolarHBondContact O-CB 3.33Å; L262-L266 PolarHBondContact O-N 2.93Å; L262-P315 HydrophobicContact CD1-CB 3.75Å; L262-P315 HydrophobicContact CD1-CG 4.3Å; L262-M318 HydrophobicContact CB-CE 3.85Å; L262-M318 HydrophobicContact CB-SD 3.93Å; L262-M318 HydrophobicContact CD1-SD 4.13Å; L262-M318 HydrophobicContact CD2-CB 4.27Å; L262-M318 HydrophobicContact CD2-CE 4.23Å; L262-M318 HydrophobicContact CD2-SD 4.18Å; L262-M318 HydrophobicContact CG-SD 4.3Å; L262-M318 WeakPolarHBondContact O-CE 3.43Å |
| 263 | L | 95.5 | Very high | 96.5 | Very high | 117 Ų | 117 | 46.6 Ų | 46.6 | 61% | 0.613 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -69.2 | -41.5 | 178.9 | -66 | 177 | 0 | 0 | 0 | 110.7 | D261 L266 K267 I312 | D261-L263 PolarHBondContact OD1-N 2.81Å; L263-L266 PolarHBondContact O-N 2.77Å; L263-K267 PolarHBondContact O-N 3.36Å; L263-I312 HydrophobicContact CD2-CD1 3.96Å |
| 264 | G | 96.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 9% | 0.093 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D261 K267 Y268 | D261-G264 PolarHBondContact OD1-N 3.39Å; D261-G264 WeakPolarHBondContact OD2-CA 3.48Å; D261-G264 PolarHBondContact OD2-N 2.79Å; G264-K267 WeakPolarHBondContact O-CB 3.39Å; G264-K267 PolarHBondContact O-N 2.57Å; G264-Y268 WeakPolarHBondContact O-CD2 3.27Å; G264-Y268 PolarHBondContact O-N 3.33Å |
| 265 | A | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.1 | -50.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | G252 F255 V256 D261 L262 K267 Y268 W269 | G252-A265 WeakPolarHBondContact O-CB 3.26Å; F255-A265 HydrophobicContact CB-CB 3.88Å; V256-A265 HydrophobicContact CG2-CB 3.5Å; D261-A265 WeakPolarHBondContact O-CB 3.31Å; D261-A265 PolarHBondContact O-N 3.37Å; L262-A265 WeakPolarHBondContact O-CB 3.37Å; L262-A265 PolarHBondContact O-N 3.17Å; A265-K267 VanDerWaalsContact C-N 3.28Å; A265-K267 PolarHBondContact O-N 3.1Å; A265-Y268 PolarHBondContact O-N 3.13Å; A265-Y268 VanDerWaalsContact O-N 3.1Å; A265-W269 HydrophobicContact CB-CH2 4.47Å; A265-W269 PolarHBondContact O-N 2.99Å |
| 266 | L | 96.7 | Very high | 96.1 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.6 | -40 | 178.3 | -176.8 | 61.4 | 0 | 0 | 0 | 111.7 | L262 L263 Y268 W269 K270 L308 I312 M318 | L262-L266 WeakPolarHBondContact O-CB 3.33Å; L262-L266 PolarHBondContact O-N 2.93Å; L263-L266 PolarHBondContact O-N 2.77Å; L266-Y268 PolarHBondContact O-N 2.95Å; L266-W269 PolarHBondContact O-N 3.09Å; L266-K270 HydrophobicContact CD1-CG 4.42Å; L266-K270 HydrophobicContact CG-CD 4.28Å; L266-K270 WeakPolarHBondContact O-CB 3.46Å; L266-K270 VanDerWaalsContact O-CG 3.3Å; L266-K270 WeakPolarHBondContact O-CG 3.36Å; L266-K270 PolarHBondContact O-N 2.8Å; L266-L308 HydrophobicContact CD1-CD1 3.55Å; L266-L308 HydrophobicContact CD1-CD2 4.43Å; L266-L308 HydrophobicContact CD1-CG 3.65Å; L266-L308 WeakPolarHBondContact CD1-O 2.94Å; L266-I312 HydrophobicContact CD2-CB 4.41Å; L266-I312 HydrophobicContact CD2-CD1 4.19Å; L266-I312 HydrophobicContact CD2-CG1 4.48Å; L266-M318 HydrophobicContact CB-CE 4.24Å |
| 267 | K | 96.9 | Very high | 95.9 | Very high | 121 Ų | 121 | 57 Ų | 57 | 53% | 0.526 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.6 | -46.1 | 174.7 | 176.6 | -174.2 | 175.3 | -175.6 | 0 | 112 | L263 G264 A265 K270 K271 | L263-K267 PolarHBondContact O-N 3.36Å; G264-K267 WeakPolarHBondContact O-CB 3.39Å; G264-K267 PolarHBondContact O-N 2.57Å; A265-K267 VanDerWaalsContact C-N 3.28Å; A265-K267 PolarHBondContact O-N 3.1Å; K267-K270 PolarHBondContact O-N 3.25Å; K267-K271 PolarHBondContact O-N 2.87Å; K267-K271 VanDerWaalsContact O-N 3.09Å |
| 268 | Y | 98.1 | Very high | 95.6 | Very high | 13 Ų | 13 | 61 Ų | 61 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.3 | -37 | 179 | -68.3 | -66.6 | 0 | 0 | 0 | 112.6 | T227 L248 L251 F255 G264 A265 L266 K270 K271 A272 | T227-Y268 HydrophobicContact CG2-CE2 4.29Å; T227-Y268 WeakPolarHBondContact CG2-OH 3.45Å; L248-Y268 HydrophobicContact CD2-CD1 4.02Å; L251-Y268 HydrophobicContact CD2-CD1 3.66Å; L251-Y268 HydrophobicContact CD2-CD2 4.07Å; L251-Y268 HydrophobicContact CD2-CE1 3.57Å; L251-Y268 HydrophobicContact CD2-CE2 4Å; L251-Y268 HydrophobicContact CD2-CG 3.93Å; L251-Y268 HydrophobicContact CG-CD1 4.43Å; L251-Y268 HydrophobicContact CG-CD2 4.09Å; L251-Y268 HydrophobicContact CG-CE2 4.26Å; L251-Y268 HydrophobicContact CG-CG 4.21Å; F255-Y268 HydrophobicContact CD1-CE2 4.23Å; F255-Y268 HydrophobicContact CD2-CD2 4.25Å; F255-Y268 HydrophobicContact CD2-CE2 4.07Å; F255-Y268 AromaticContact CE1-CE2 3.89Å; F255-Y268 HydrophobicContact CE1-CE2 3.89Å; F255-Y268 HydrophobicContact CE2-CD2 4.33Å; F255-Y268 AromaticContact CE2-CE2 3.71Å; F255-Y268 HydrophobicContact CE2-CE2 3.71Å; F255-Y268 HydrophobicContact CG-CD2 4.37Å; F255-Y268 HydrophobicContact CG-CE2 4.33Å; F255-Y268 AromaticContact CZ-CE2 3.62Å; F255-Y268 HydrophobicContact CZ-CE2 3.62Å; G264-Y268 WeakPolarHBondContact O-CD2 3.27Å; G264-Y268 PolarHBondContact O-N 3.33Å; A265-Y268 PolarHBondContact O-N 3.13Å; A265-Y268 VanDerWaalsContact O-N 3.1Å; L266-Y268 PolarHBondContact O-N 2.95Å; Y268-K270 VanDerWaalsContact C-N 3.33Å; Y268-K270 PolarHBondContact O-N 3.32Å; Y268-K271 HydrophobicContact CD1-CD 4.21Å; Y268-K271 WeakPolarHBondContact O-CB 3.21Å; Y268-K271 PolarHBondContact O-N 3.2Å; Y268-A272 PolarHBondContact O-N 3.31Å |
| 269 | W | 98 | Very high | 95.4 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 173 | -67.1 | -18.8 | 0 | 0 | 0 | 112.4 | E249 V256 A265 L266 A272 M273 L308 L311 M318 Q321 I325 | E249-W269 PolarHBondContact O-NE1 2.8Å; V256-W269 HydrophobicContact CG2-CH2 3.64Å; V256-W269 HydrophobicContact CG2-CZ2 3.96Å; A265-W269 HydrophobicContact CB-CH2 4.47Å; A265-W269 PolarHBondContact O-N 2.99Å; L266-W269 PolarHBondContact O-N 3.09Å; W269-A272 PolarHBondContact O-N 2.92Å; W269-M273 VanDerWaalsContact O-CB 3.28Å; W269-M273 WeakPolarHBondContact O-CB 3.45Å; W269-M273 PolarHBondContact O-N 2.96Å; W269-L308 HydrophobicContact CB-CD1 3.76Å; W269-L308 HydrophobicContact CB-CD2 4.1Å; W269-L308 HydrophobicContact CE3-CD1 4.03Å; W269-L311 HydrophobicContact CE3-CD1 4.34Å; W269-L311 HydrophobicContact CZ3-CD1 4.12Å; W269-M318 HydrophobicContact CE3-CE 4.35Å; W269-M318 WeakPolarHBondContact CH2-O 3.36Å; W269-M318 HydrophobicContact CZ3-CB 4.37Å; W269-M318 HydrophobicContact CZ3-CE 3.71Å; W269-M318 HydrophobicContact CZ3-CG 4.39Å; W269-Q321 HydrophobicContact CH2-CB 3.89Å; W269-Q321 HydrophobicContact CZ2-CB 4.4Å; W269-Q321 HydrophobicContact CZ3-CB 4.31Å; W269-I325 HydrophobicContact CZ2-CD1 3.91Å |
| 270 | K | 97.2 | Very high | 95 | Very high | 62 Ų | 62 | 64.7 Ų | 64.7 | 27% | 0.27 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 172.6 | -75.2 | 177.9 | -177.5 | -175 | 0 | 111.5 | L266 K267 Y268 A272 M273 N274 L308 E309 | L266-K270 HydrophobicContact CD1-CG 4.42Å; L266-K270 HydrophobicContact CG-CD 4.28Å; L266-K270 WeakPolarHBondContact O-CB 3.46Å; L266-K270 VanDerWaalsContact O-CG 3.3Å; L266-K270 WeakPolarHBondContact O-CG 3.36Å; L266-K270 PolarHBondContact O-N 2.8Å; K267-K270 PolarHBondContact O-N 3.25Å; Y268-K270 VanDerWaalsContact C-N 3.33Å; Y268-K270 PolarHBondContact O-N 3.32Å; K270-A272 VanDerWaalsContact C-N 3.34Å; K270-A272 PolarHBondContact O-N 3.38Å; K270-M273 PolarHBondContact O-N 3.04Å; K270-N274 WeakPolarHBondContact O-CB 3.48Å; K270-N274 VanDerWaalsContact O-CG 3.22Å; K270-N274 PolarHBondContact O-N 3.39Å; K270-N274 PolarHBondContact O-ND2 3.4Å; K270-L308 HydrophobicContact CB-CD2 4.27Å; K270-L308 HydrophobicContact CG-CD2 3.59Å; K270-L308 HydrophobicContact CG-CG 4.3Å; K270-E309 VanDerWaalsContact CE-CD 3.43Å; K270-E309 WeakPolarHBondContact CE-OE1 3.4Å; K270-E309 WeakPolarHBondContact CE-OE2 3.49Å; K270-E309 IonicContact NZ-OE1 2.81Å; K270-E309 PolarHBondContact NZ-OE1 2.73Å; K270-E309 IonicContact NZ-OE2 2.79Å; K270-E309 PolarHBondContact NZ-OE2 2.66Å |
| 271 | K | 97.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 61.6 Ų | 61.6 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 173.3 | -75.1 | -177.5 | 173 | -173.5 | 0 | 111.5 | D231 L248 K267 Y268 M275 | D231-K271 IonicContact OD1-NZ 3.89Å; D231-K271 PolarHBondContact OD1-NZ 2.9Å; L248-K271 HydrophobicContact CD1-CB 4.21Å; L248-K271 HydrophobicContact CD2-CD 4.4Å; K267-K271 PolarHBondContact O-N 2.87Å; K267-K271 VanDerWaalsContact O-N 3.09Å; Y268-K271 HydrophobicContact CD1-CD 4.21Å; Y268-K271 WeakPolarHBondContact O-CB 3.21Å; Y268-K271 PolarHBondContact O-N 3.2Å; K271-M275 WeakPolarHBondContact O-CB 3.36Å; K271-M275 PolarHBondContact O-N 3.17Å |
| 272 | A | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.7 | -45 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I245 L248 E249 Y268 W269 K270 M275 R276 | I245-A272 HydrophobicContact CG2-CB 4.45Å; L248-A272 HydrophobicContact CB-CB 3.77Å; E249-A272 HydrophobicContact CG-CB 3.56Å; Y268-A272 PolarHBondContact O-N 3.31Å; W269-A272 PolarHBondContact O-N 2.92Å; K270-A272 VanDerWaalsContact C-N 3.34Å; K270-A272 PolarHBondContact O-N 3.38Å; A272-M275 PolarHBondContact O-N 3.43Å; A272-M275 VanDerWaalsContact O-N 3.15Å; A272-R276 PolarHBondContact O-N 2.94Å |
| 273 | M | 95.9 | Very high | 94.2 | Very high | 11 Ų | 11 | 64.2 Ų | 64.2 | 5% | 0.054 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.7 | -50.8 | 176.2 | -169.3 | 66.6 | 73.1 | 0 | 0 | 110.3 | W269 K270 M275 R276 Y277 V302 S304 L308 | W269-M273 VanDerWaalsContact O-CB 3.28Å; W269-M273 WeakPolarHBondContact O-CB 3.45Å; W269-M273 PolarHBondContact O-N 2.96Å; K270-M273 PolarHBondContact O-N 3.04Å; M273-M275 VanDerWaalsContact C-N 3.27Å; M273-M275 PolarHBondContact O-N 3.34Å; M273-R276 WeakPolarHBondContact O-CB 3.24Å; M273-R276 PolarHBondContact O-N 2.98Å; M273-R276 VanDerWaalsContact O-N 3.08Å; M273-Y277 HydrophobicContact CG-CD2 4.24Å; M273-Y277 HydrophobicContact CG-CE2 4.4Å; M273-Y277 VanDerWaalsContact O-CD2 3.26Å; M273-Y277 WeakPolarHBondContact O-CD2 3.36Å; M273-Y277 PolarHBondContact O-N 2.92Å; M273-Y277 HydrophobicContact SD-CD2 3.84Å; M273-Y277 HydrophobicContact SD-CE2 3.41Å; M273-Y277 WeakPolarHBondContact SD-CE2 3.4Å; M273-V302 HydrophobicContact CE-CG2 4.23Å; M273-S304 WeakPolarHBondContact CE-O 3.39Å; M273-L308 HydrophobicContact CB-CD2 4.11Å; M273-L308 HydrophobicContact CE-CB 4.42Å; M273-L308 HydrophobicContact CE-CD2 4.31Å; M273-L308 HydrophobicContact CG-CD2 4.48Å |
| 274 | N | 95.5 | Very high | 94 | Very high | 107 Ų | 107 | 60.1 Ų | 60.1 | 57% | 0.572 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.4 | -41 | 175.9 | -70.5 | -14.9 | 0 | 0 | 0 | 111.8 | K270 R276 Y277 S278 | K270-N274 WeakPolarHBondContact O-CB 3.48Å; K270-N274 VanDerWaalsContact O-CG 3.22Å; K270-N274 PolarHBondContact O-N 3.39Å; K270-N274 PolarHBondContact O-ND2 3.4Å; N274-R276 VanDerWaalsContact C-N 3.35Å; N274-R276 PolarHBondContact O-N 3.3Å; N274-Y277 CarbonylContact O-C 3.45Å; N274-Y277 PolarHBondContact O-N 3.47Å; N274-S278 WeakPolarHBondContact O-CA 3.16Å; N274-S278 WeakPolarHBondContact O-CB 3.29Å; N274-S278 PolarHBondContact O-N 3.49Å |
| 275 | M | 95.3 | Very high | 93.7 | Very high | 47 Ų | 47 | 63.6 Ų | 63.6 | 23% | 0.232 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.6 | -29.6 | 178.3 | -169.3 | 178.1 | -65.6 | 0 | 0 | 113.3 | K241 R244 I245 L248 K271 A272 M273 S278 | K241-M275 WeakPolarHBondContact CE-O 3.34Å; K241-M275 HydrophobicContact CG-CG 4.48Å; R244-M275 HydrophobicContact CB-CE 4.44Å; R244-M275 HydrophobicContact CB-SD 3.68Å; I245-M275 HydrophobicContact CD1-CG 4.14Å; I245-M275 HydrophobicContact CG1-CB 3.91Å; I245-M275 HydrophobicContact CG1-CG 3.65Å; I245-M275 HydrophobicContact CG1-SD 3.71Å; L248-M275 HydrophobicContact CD1-CE 3.83Å; L248-M275 HydrophobicContact CD1-SD 4.38Å; K271-M275 WeakPolarHBondContact O-CB 3.36Å; K271-M275 PolarHBondContact O-N 3.17Å; A272-M275 PolarHBondContact O-N 3.43Å; A272-M275 VanDerWaalsContact O-N 3.15Å; M273-M275 VanDerWaalsContact C-N 3.27Å; M273-M275 PolarHBondContact O-N 3.34Å; M275-S278 PolarHBondContact O-OG 3.33Å |
| 276 | R | 94.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 64.6 Ų | 64.6 | 2% | 0.023 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 172.4 | -75 | -179.5 | 179.9 | -73.4 | -2.6 | 111.7 | I245 E249 A272 M273 N274 I284 | I245-R276 HydrophobicContact CD1-CG 3.87Å; I245-R276 HydrophobicContact CG1-CG 4.31Å; I245-R276 HydrophobicContact CG2-CG 3.63Å; E249-R276 IonicContact OE1-CZ 2.54Å; E249-R276 IonicContact OE1-NE 3.09Å; E249-R276 PolarHBondContact OE1-NE 3.37Å; E249-R276 IonicContact OE1-NH2 3.73Å; E249-R276 PolarHBondContact OE1-NH2 3.12Å; E249-R276 IonicContact OE2-CZ 3.15Å; E249-R276 IonicContact OE2-NH2 3.59Å; E249-R276 PolarHBondContact OE2-NH2 3.16Å; A272-R276 PolarHBondContact O-N 2.94Å; M273-R276 WeakPolarHBondContact O-CB 3.24Å; M273-R276 PolarHBondContact O-N 2.98Å; M273-R276 VanDerWaalsContact O-N 3.08Å; N274-R276 VanDerWaalsContact C-N 3.35Å; N274-R276 PolarHBondContact O-N 3.3Å; R276-I284 PolarHBondContact NH1-O 3.36Å; R276-I284 PolarHBondContact O-N 3.21Å |
| 277 | Y | 92.6 | Very high | 93.1 | Very high | 86 Ų | 86 | 68.6 Ų | 68.6 | 34% | 0.337 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -103.2 | 3.5 | -171.3 | -62.9 | -82.1 | 0 | 0 | 0 | 114.4 | M273 N274 D279 I283 N303 | M273-Y277 HydrophobicContact CG-CD2 4.24Å; M273-Y277 HydrophobicContact CG-CE2 4.4Å; M273-Y277 VanDerWaalsContact O-CD2 3.26Å; M273-Y277 WeakPolarHBondContact O-CD2 3.36Å; M273-Y277 PolarHBondContact O-N 2.92Å; M273-Y277 HydrophobicContact SD-CD2 3.84Å; M273-Y277 HydrophobicContact SD-CE2 3.41Å; M273-Y277 WeakPolarHBondContact SD-CE2 3.4Å; N274-Y277 CarbonylContact O-C 3.45Å; N274-Y277 PolarHBondContact O-N 3.47Å; Y277-D279 PolarHBondContact O-N 2.7Å; Y277-I283 HydrophobicContact CD1-CD1 4.08Å; Y277-I283 HydrophobicContact CD1-CG1 4.26Å; Y277-I283 HydrophobicContact CD1-CG2 3.72Å; Y277-I283 HydrophobicContact CE1-CD1 4.45Å; Y277-I283 HydrophobicContact CE1-CG2 3.57Å; Y277-N303 PolarHBondContact OH-O 3.01Å |
| 278 | S | 89.6 | Confident | 92.6 | Very high | 89 Ų | 89 | 69 Ų | 69 | 62% | 0.622 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -61.1 | -31.3 | -177.4 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | N274 M275 | N274-S278 WeakPolarHBondContact O-CA 3.16Å; N274-S278 WeakPolarHBondContact O-CB 3.29Å; N274-S278 PolarHBondContact O-N 3.49Å; M275-S278 PolarHBondContact O-OG 3.33Å |
| 279 | D | 88.8 | Confident | 92 | Very high | 59 Ų | 59 | 71.5 Ų | 71.5 | 32% | 0.316 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -114.9 | 106.2 | 176.2 | 180 | -5.2 | 0 | 0 | 0 | 108.5 | Y277 T281 N282 I283 | Y277-D279 PolarHBondContact O-N 2.7Å; D279-T281 PolarHBondContact O-N 3.21Å; D279-T281 WeakPolarHBondContact OD1-CB 3.41Å; D279-T281 PolarHBondContact OD1-N 2.87Å; D279-T281 PolarHBondContact OD1-OG1 2.89Å; D279-N282 HydrophobicContact CB-CB 4.44Å; D279-N282 CarbonylContact O-C 3.54Å; D279-N282 PolarHBondContact O-N 3.47Å; D279-N282 VanDerWaalsContact O-N 3.13Å; D279-N282 PolarHBondContact OD1-N 2.93Å; D279-N282 WeakPolarHBondContact OD2-CB 2.99Å; D279-I283 PolarHBondContact O-N 2.87Å |
| 280 | R | 85.6 | Confident | 91.3 | Very high | 230 Ų | 230 | 80.5 Ų | 80.5 | 87% | 0.868 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.6 | -179 | -65.8 | -174 | -179.5 | -172.5 | -0 | 113 | ||
| 281 | T | 88.8 | Confident | 91 | Very high | 133 Ų | 133 | 82.6 Ų | 82.6 | 82% | 0.816 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -16.5 | 179 | 68.5 | 0 | 0 | 0 | 0 | 112.8 | D279 | D279-T281 PolarHBondContact O-N 3.21Å; D279-T281 WeakPolarHBondContact OD1-CB 3.41Å; D279-T281 PolarHBondContact OD1-N 2.87Å; D279-T281 PolarHBondContact OD1-OG1 2.89Å |
| 282 | N | 89.5 | Confident | 90.8 | Very high | 92 Ų | 92 | 82.5 Ų | 82.5 | 49% | 0.492 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -140.1 | 62.6 | -176.5 | -170.3 | 18.7 | 0 | 0 | 0 | 111.3 | K241 D279 | K241-N282 PolarHBondContact NZ-O 2.7Å; D279-N282 HydrophobicContact CB-CB 4.44Å; D279-N282 CarbonylContact O-C 3.54Å; D279-N282 PolarHBondContact O-N 3.47Å; D279-N282 VanDerWaalsContact O-N 3.13Å; D279-N282 PolarHBondContact OD1-N 2.93Å; D279-N282 WeakPolarHBondContact OD2-CB 2.99Å |
| 283 | I | 91.3 | Very high | 90.6 | Very high | 72 Ų | 72 | 84.6 Ų | 84.6 | 37% | 0.369 | 45% | 0.454 | S | S | . | . | trans | -74.1 | 128 | 176.6 | -61.9 | 172.4 | 0 | 0 | 0 | 109.2 | Y277 D279 S285 | Y277-I283 HydrophobicContact CD1-CD1 4.08Å; Y277-I283 HydrophobicContact CD1-CG1 4.26Å; Y277-I283 HydrophobicContact CD1-CG2 3.72Å; Y277-I283 HydrophobicContact CE1-CD1 4.45Å; Y277-I283 HydrophobicContact CE1-CG2 3.57Å; D279-I283 PolarHBondContact O-N 2.87Å; I283-S285 PolarHBondContact O-N 3.37Å | ||
| 284 | I | 91.1 | Very high | 90.6 | Very high | 31 Ų | 31 | 88.5 Ų | 88.5 | 16% | 0.159 | 47% | 0.473 | C | S | . | . | trans | -95.2 | 90.6 | 174.3 | -56.9 | 180 | 0 | 0 | 0 | 108.3 | K241 I245 R276 | K241-I284 HydrophobicContact CB-CD1 4.07Å; K241-I284 HydrophobicContact CD-CD1 3.72Å; K241-I284 HydrophobicContact CG-CD1 3.75Å; I245-I284 HydrophobicContact CD1-CB 4.2Å; I245-I284 HydrophobicContact CD1-CD1 3.83Å; I245-I284 HydrophobicContact CD1-CG1 4.48Å; R276-I284 PolarHBondContact NH1-O 3.36Å; R276-I284 PolarHBondContact O-N 3.21Å | ||
| 285 | S | 90.5 | Very high | 90.7 | Very high | 83 Ų | 83 | 83.8 Ų | 83.8 | 58% | 0.58 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 150.7 | 177.9 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | I283 | I283-S285 PolarHBondContact O-N 3.37Š|
| 286 | K | 91 | Very high | 90.7 | Very high | 21 Ų | 21 | 81.5 Ų | 81.5 | 9% | 0.091 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 147.2 | 168.9 | -64.8 | -176.4 | -178.2 | -175.8 | 0 | 109.8 | E249 E301 V302 | E249-K286 VanDerWaalsContact OE1-CE 3.26Å; E249-K286 WeakPolarHBondContact OE1-CE 3.09Å; E249-K286 IonicContact OE1-NZ 3.31Å; K286-E301 HydrophobicContact CD-CB 4.12Å; K286-E301 WeakPolarHBondContact CD-OE2 3.47Å; K286-E301 WeakPolarHBondContact CE-OE2 3.35Å; K286-E301 IonicContact NZ-OE2 2.7Å; K286-E301 PolarHBondContact NZ-OE2 3.08Å; K286-V302 WeakPolarHBondContact CE-O 3.32Å; K286-V302 PolarHBondContact NZ-O 3.1Å |
| 287 | P | 90.1 | Very high | 90.7 | Very high | 93 Ų | 93 | 86.7 Ų | 86.7 | 60% | 0.604 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 137.3 | 171.7 | 27.8 | -33.7 | 0 | 0 | 0 | 109.9 | R328 | P287-R328 HydrophobicContact CG-CG 4.19Š|
| 288 | V | 86.9 | Confident | 90.8 | Very high | 128 Ų | 128 | 88.9 Ų | 88.9 | 78% | 0.776 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -75 | 124 | 175.4 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | Q290 | V288-Q290 PolarHBondContact O-N 3.39Š|
| 289 | P | 84.2 | Confident | 91.1 | Very high | 67 Ų | 67 | 85.1 Ų | 85.1 | 44% | 0.435 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 135.9 | 177.9 | 25.9 | -32.5 | 0 | 0 | 0 | 110.5 | L292 | P289-L292 HydrophobicContact CG-CD2 4.02Š|
| 290 | Q | 84.4 | Confident | 91.4 | Very high | 199 Ų | 199 | 87.8 Ų | 87.8 | 93% | 0.93 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -68.1 | -35.6 | 177.5 | -68.1 | -179.9 | -3 | 0 | 0 | 112.2 | V288 | V288-Q290 PolarHBondContact O-N 3.39Š|
| 291 | T | 90 | Very high | 91.9 | Very high | 106 Ų | 106 | 78 Ų | 78 | 65% | 0.65 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -147.4 | 136.8 | -179.7 | -58.5 | 0 | 0 | 0 | 0 | 109 | ||
| 292 | L | 93.3 | Very high | 92.1 | Very high | 72 Ų | 72 | 72.3 Ų | 72.3 | 38% | 0.377 | 39% | 0.386 | S | S | . | . | trans | -78.7 | 138.3 | 175.6 | -60.1 | 176.9 | 0 | 0 | 0 | 109.8 | P289 Y298 K300 | P289-L292 HydrophobicContact CG-CD2 4.02Å; L292-Y298 HydrophobicContact CB-CD1 3.94Å; L292-Y298 HydrophobicContact CB-CG 4.49Å; L292-K300 HydrophobicContact CD2-CB 4.25Å | ||
| 293 | I | 94.5 | Very high | 92.3 | Very high | 44 Ų | 44 | 70 Ų | 70 | 23% | 0.226 | 37% | 0.374 | C | S | . | . | trans | -89.7 | 119.6 | -171.7 | -55 | -56.4 | 0 | 0 | 0 | 110 | A295 Y296 Y298 Y363 | I293-A295 HydrophobicContact CG2-CB 4Å; I293-A295 PolarHBondContact O-N 2.92Å; I293-Y296 HydrophobicContact CB-CD2 3.73Å; I293-Y296 HydrophobicContact CB-CE2 4.26Å; I293-Y296 HydrophobicContact CB-CG 4.3Å; I293-Y296 HydrophobicContact CG1-CD2 4.2Å; I293-Y296 HydrophobicContact CG1-CE2 4.38Å; I293-Y296 HydrophobicContact CG2-CD2 4.01Å; I293-Y296 HydrophobicContact CG2-CE2 4.29Å; I293-Y296 HydrophobicContact CG2-CG 4.33Å; I293-Y296 PolarHBondContact O-N 3.38Å; I293-Y298 PolarHBondContact O-N 2.65Å; I293-Y363 HydrophobicContact CD1-CE2 4.26Å; I293-Y363 HydrophobicContact CG2-CD1 4.18Å; I293-Y363 HydrophobicContact CG2-CD2 3.98Å; I293-Y363 HydrophobicContact CG2-CE1 3.93Å; I293-Y363 HydrophobicContact CG2-CE2 3.71Å; I293-Y363 HydrophobicContact CG2-CG 4.2Å | ||
| 294 | M | 95.7 | Very high | 92.3 | Very high | 94 Ų | 94 | 68 Ų | 68 | 46% | 0.463 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -56.9 | -36.3 | 178.4 | -179 | -83.5 | -70.2 | 0 | 0 | 112.8 | Y296 D297 Y298 N359 | M294-Y296 PolarHBondContact O-N 3.04Å; M294-D297 WeakPolarHBondContact O-CA 3.11Å; M294-D297 PolarHBondContact O-N 3Å; M294-Y298 HydrophobicContact CB-CE1 3.92Å; M294-Y298 HydrophobicContact CB-CE2 4.23Å; M294-Y298 HydrophobicContact CG-CE2 4.04Å; M294-Y298 WeakPolarHBondContact CG-OH 3.49Å; M294-N359 HydrophobicContact SD-CB 4.42Å |
| 295 | A | 95.9 | Very high | 92.4 | Very high | 7 Ų | 7 | 68.8 Ų | 68.8 | 6% | 0.058 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -63 | -23.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I293 D297 L360 Y363 | I293-A295 HydrophobicContact CG2-CB 4Å; I293-A295 PolarHBondContact O-N 2.92Å; A295-D297 VanDerWaalsContact C-N 3.33Å; A295-L360 HydrophobicContact CB-CD2 4.34Å; A295-L360 WeakPolarHBondContact O-CD2 3.37Å; A295-Y363 HydrophobicContact CB-CD1 4.29Å; A295-Y363 HydrophobicContact CB-CG 3.94Å |
| 296 | Y | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -96.6 | 18.9 | 173 | -55.1 | -31.4 | 0 | 0 | 0 | 112.5 | I293 M294 Y298 A299 L323 L324 E327 I341 L360 Y363 | I293-Y296 HydrophobicContact CB-CD2 3.73Å; I293-Y296 HydrophobicContact CB-CE2 4.26Å; I293-Y296 HydrophobicContact CB-CG 4.3Å; I293-Y296 HydrophobicContact CG1-CD2 4.2Å; I293-Y296 HydrophobicContact CG1-CE2 4.38Å; I293-Y296 HydrophobicContact CG2-CD2 4.01Å; I293-Y296 HydrophobicContact CG2-CE2 4.29Å; I293-Y296 HydrophobicContact CG2-CG 4.33Å; I293-Y296 PolarHBondContact O-N 3.38Å; M294-Y296 PolarHBondContact O-N 3.04Å; Y296-Y298 PolarHBondContact O-N 2.91Å; Y296-A299 WeakPolarHBondContact O-CB 3Å; Y296-A299 PolarHBondContact O-N 2.84Å; Y296-L323 HydrophobicContact CD1-CB 4.46Å; Y296-L323 HydrophobicContact CD1-CD1 3.99Å; Y296-L323 HydrophobicContact CE1-CB 4Å; Y296-L323 HydrophobicContact CE1-CD1 3.69Å; Y296-L323 HydrophobicContact CE1-CG 4.5Å; Y296-L324 HydrophobicContact CD2-CD2 3.61Å; Y296-L324 HydrophobicContact CD2-CG 4.25Å; Y296-L324 HydrophobicContact CE2-CD2 4.09Å; Y296-E327 VanDerWaalsContact CE2-OE2 3.25Å; Y296-E327 WeakPolarHBondContact CE2-OE2 3.45Å; Y296-E327 PolarHBondContact OH-OE2 2.98Å; Y296-I341 HydrophobicContact CE1-CG1 4.18Å; Y296-I341 HydrophobicContact CE1-CG2 4.46Å; Y296-I341 WeakPolarHBondContact OH-CD1 3.08Å; Y296-I341 VanDerWaalsContact OH-CG1 3.29Å; Y296-I341 WeakPolarHBondContact OH-CG1 3.06Å; Y296-L360 HydrophobicContact CD1-CD2 3.69Å; Y296-L360 HydrophobicContact CE1-CD2 3.78Å; Y296-Y363 HydrophobicContact CE1-CD1 4.24Å; Y296-Y363 HydrophobicContact CE1-CE1 4.34Å; Y296-Y363 AromaticContact CE2-CE1 3.97Å; Y296-Y363 HydrophobicContact CE2-CE1 3.97Å; Y296-Y363 AromaticContact CZ-CD1 3.99Å; Y296-Y363 AromaticContact CZ-CE1 3.65Å; Y296-Y363 WeakPolarHBondContact OH-CE1 3.38Å |
| 297 | D | 94.2 | Very high | 92.7 | Very high | 115 Ų | 115 | 75.4 Ų | 75.4 | 62% | 0.615 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 34.9 | -175.1 | -156 | 23.1 | 0 | 0 | 0 | 113 | M294 A295 A299 | M294-D297 WeakPolarHBondContact O-CA 3.11Å; M294-D297 PolarHBondContact O-N 3Å; A295-D297 VanDerWaalsContact C-N 3.33Å; D297-A299 PolarHBondContact O-N 3.42Å; D297-A299 VanDerWaalsContact O-N 3.12Å |
| 298 | Y | 95.8 | Very high | 92.9 | Very high | 132 Ų | 132 | 71.1 Ų | 71.1 | 52% | 0.518 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 21.7 | -176 | -49.9 | -84.1 | 0 | 0 | 0 | 114.2 | L292 I293 M294 Y296 | L292-Y298 HydrophobicContact CB-CD1 3.94Å; L292-Y298 HydrophobicContact CB-CG 4.49Å; I293-Y298 PolarHBondContact O-N 2.65Å; M294-Y298 HydrophobicContact CB-CE1 3.92Å; M294-Y298 HydrophobicContact CB-CE2 4.23Å; M294-Y298 HydrophobicContact CG-CE2 4.04Å; M294-Y298 WeakPolarHBondContact CG-OH 3.49Å; Y296-Y298 PolarHBondContact O-N 2.91Å |
| 299 | A | 95 | Very high | 93.1 | Very high | 10 Ų | 10 | 69.7 Ų | 69.7 | 8% | 0.083 | 36% | 0.356 | C | S | . | . | trans | -55.4 | 149.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y296 D297 M320 L324 | Y296-A299 WeakPolarHBondContact O-CB 3Å; Y296-A299 PolarHBondContact O-N 2.84Å; D297-A299 PolarHBondContact O-N 3.42Å; D297-A299 VanDerWaalsContact O-N 3.12Å; A299-M320 HydrophobicContact CB-CB 3.75Å; A299-M320 HydrophobicContact CB-CG 4.3Å; A299-L324 HydrophobicContact CB-CD1 3.9Å | ||
| 300 | K | 94.9 | Very high | 93.5 | Very high | 114 Ų | 114 | 68.9 Ų | 68.9 | 50% | 0.496 | 36% | 0.361 | S | S | . | . | trans | -128.8 | 139.4 | -179.9 | -179.4 | -176.9 | 173.8 | -171.5 | 0 | 109.2 | L292 V302 Q321 | L292-K300 HydrophobicContact CD2-CB 4.25Å; K300-V302 PolarHBondContact O-N 3.11Å; K300-Q321 PolarHBondContact O-NE2 3.22Å | ||
| 301 | E | 95.8 | Very high | 94 | Very high | 26 Ų | 26 | 59.9 Ų | 59.9 | 12% | 0.121 | 32% | 0.319 | C | S | . | . | trans | -59 | 135.8 | 176.7 | -75.5 | -166.3 | -118.7 | 0 | 0 | 111.9 | K286 N303 Q321 L324 I325 R328 | K286-E301 HydrophobicContact CD-CB 4.12Å; K286-E301 WeakPolarHBondContact CD-OE2 3.47Å; K286-E301 WeakPolarHBondContact CE-OE2 3.35Å; K286-E301 IonicContact NZ-OE2 2.7Å; K286-E301 PolarHBondContact NZ-OE2 3.08Å; E301-N303 PolarHBondContact O-ND2 3.09Å; E301-Q321 VanDerWaalsContact CA-OE1 3.26Å; E301-L324 HydrophobicContact CG-CB 3.6Å; E301-L324 HydrophobicContact CG-CD1 4.21Å; E301-L324 HydrophobicContact CG-CG 4.49Å; E301-I325 HydrophobicContact CG-CG1 4.36Å; E301-I325 VanDerWaalsContact OE2-CG1 3.31Å; E301-I325 WeakPolarHBondContact OE2-CG1 3.39Å; E301-R328 WeakPolarHBondContact OE1-CD 3.38Å; E301-R328 IonicContact OE1-CZ 2.83Å; E301-R328 IonicContact OE1-NE 3.88Å; E301-R328 PolarHBondContact OE1-NE 3.14Å; E301-R328 IonicContact OE1-NH2 3.55Å; E301-R328 IonicContact OE2-CZ 3.26Å; E301-R328 IonicContact OE2-NE 3.8Å; E301-R328 PolarHBondContact OE2-NE 3.36Å; E301-R328 IonicContact OE2-NH2 3.7Å; E301-R328 PolarHBondContact OE2-NH2 2.89Å | ||
| 302 | V | 94.6 | Very high | 93.9 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | trans | -59.8 | 137 | 172.6 | -64.4 | 0 | 0 | 0 | 0 | 111.2 | M273 K286 K300 E307 L308 L311 | M273-V302 HydrophobicContact CE-CG2 4.23Å; K286-V302 WeakPolarHBondContact CE-O 3.32Å; K286-V302 PolarHBondContact NZ-O 3.1Å; K300-V302 PolarHBondContact O-N 3.11Å; V302-E307 WeakPolarHBondContact CA-OE2 3.28Å; V302-E307 HydrophobicContact CB-CB 4.06Å; V302-E307 HydrophobicContact CG1-CB 3.99Å; V302-L308 HydrophobicContact CG2-CB 4.45Å; V302-L308 HydrophobicContact CG2-CD1 4.08Å; V302-L311 HydrophobicContact CG1-CD1 3.8Å; V302-L311 HydrophobicContact CG1-CD2 4.02Å; V302-L311 HydrophobicContact CG1-CG 3.95Å; V302-L311 HydrophobicContact CG2-CD1 4.35Å | ||
| 303 | N | 92.3 | Very high | 93.7 | Very high | 45 Ų | 45 | 60.3 Ų | 60.3 | 24% | 0.241 | 33% | 0.329 | C | S | . | . | trans | -123.4 | 1 | -177.1 | -62.7 | -69.3 | 0 | 0 | 0 | 113.6 | Y277 E301 E307 | Y277-N303 PolarHBondContact OH-O 3.01Å; E301-N303 PolarHBondContact O-ND2 3.09Å; N303-E307 PolarHBondContact N-OE2 2.94Å | ||
| 304 | S | 92.7 | Very high | 93.8 | Very high | 30 Ų | 30 | 61.8 Ų | 61.8 | 21% | 0.21 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -136.6 | 162.5 | 176 | 72.1 | 0 | 0 | 0 | 0 | 112.2 | M273 E306 E307 L308 | M273-S304 WeakPolarHBondContact CE-O 3.39Å; S304-E306 VanDerWaalsContact C-N 3.29Å; S304-E306 WeakPolarHBondContact CB-OE2 3.4Å; S304-E307 WeakPolarHBondContact OG-CB 3.43Å; S304-E307 VanDerWaalsContact OG-CG 3.25Å; S304-E307 WeakPolarHBondContact OG-CG 3.44Å; S304-E307 PolarHBondContact OG-N 2.84Å; S304-E307 VanDerWaalsContact OG-N 3.1Å; S304-L308 WeakPolarHBondContact O-CB 3.43Å; S304-L308 PolarHBondContact O-N 3.49Å; S304-L308 VanDerWaalsContact O-N 3.13Å |
| 305 | A | 91.7 | Very high | 93.7 | Very high | 46 Ų | 46 | 59.8 Ų | 59.8 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L308 E309 | A305-L308 WeakPolarHBondContact O-CB 3.25Å; A305-L308 PolarHBondContact O-N 2.78Å; A305-E309 WeakPolarHBondContact O-CG 2.7Å; A305-E309 PolarHBondContact O-N 2.98Å |
| 306 | E | 92.9 | Very high | 93.7 | Very high | 146 Ų | 146 | 61.4 Ų | 61.4 | 68% | 0.682 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.8 | -46.3 | 177.9 | -62.4 | 75.9 | -166.1 | 0 | 0 | 111.7 | S304 L308 E309 G310 | S304-E306 VanDerWaalsContact C-N 3.29Å; S304-E306 WeakPolarHBondContact CB-OE2 3.4Å; E306-L308 VanDerWaalsContact C-N 3.26Å; E306-L308 PolarHBondContact O-N 3.39Å; E306-E309 PolarHBondContact O-N 2.92Å; E306-G310 PolarHBondContact O-N 3.03Å; E306-G310 VanDerWaalsContact O-N 3.12Å |
| 307 | E | 94.7 | Very high | 93.6 | Very high | 98 Ų | 98 | 63.8 Ų | 63.8 | 46% | 0.458 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 174 | -74.9 | 171.9 | -171.6 | 0 | 0 | 110.9 | V302 N303 S304 G310 L311 | V302-E307 WeakPolarHBondContact CA-OE2 3.28Å; V302-E307 HydrophobicContact CB-CB 4.06Å; V302-E307 HydrophobicContact CG1-CB 3.99Å; N303-E307 PolarHBondContact N-OE2 2.94Å; S304-E307 WeakPolarHBondContact OG-CB 3.43Å; S304-E307 VanDerWaalsContact OG-CG 3.25Å; S304-E307 WeakPolarHBondContact OG-CG 3.44Å; S304-E307 PolarHBondContact OG-N 2.84Å; S304-E307 VanDerWaalsContact OG-N 3.1Å; E307-G310 PolarHBondContact O-N 2.83Å; E307-L311 PolarHBondContact O-N 2.8Å |
| 308 | L | 94.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 179.3 | -178.4 | 62.4 | 0 | 0 | 0 | 112.6 | L266 W269 K270 M273 V302 S304 A305 E306 G310 L311 | L266-L308 HydrophobicContact CD1-CD1 3.55Å; L266-L308 HydrophobicContact CD1-CD2 4.43Å; L266-L308 HydrophobicContact CD1-CG 3.65Å; L266-L308 WeakPolarHBondContact CD1-O 2.94Å; W269-L308 HydrophobicContact CB-CD1 3.76Å; W269-L308 HydrophobicContact CB-CD2 4.1Å; W269-L308 HydrophobicContact CE3-CD1 4.03Å; K270-L308 HydrophobicContact CB-CD2 4.27Å; K270-L308 HydrophobicContact CG-CD2 3.59Å; K270-L308 HydrophobicContact CG-CG 4.3Å; M273-L308 HydrophobicContact CB-CD2 4.11Å; M273-L308 HydrophobicContact CE-CB 4.42Å; M273-L308 HydrophobicContact CE-CD2 4.31Å; M273-L308 HydrophobicContact CG-CD2 4.48Å; V302-L308 HydrophobicContact CG2-CB 4.45Å; V302-L308 HydrophobicContact CG2-CD1 4.08Å; S304-L308 WeakPolarHBondContact O-CB 3.43Å; S304-L308 PolarHBondContact O-N 3.49Å; S304-L308 VanDerWaalsContact O-N 3.13Å; A305-L308 WeakPolarHBondContact O-CB 3.25Å; A305-L308 PolarHBondContact O-N 2.78Å; E306-L308 VanDerWaalsContact C-N 3.26Å; E306-L308 PolarHBondContact O-N 3.39Å; L308-G310 VanDerWaalsContact C-N 3.32Å; L308-L311 HydrophobicContact CD1-CD1 3.97Å; L308-L311 WeakPolarHBondContact O-CB 3.33Å; L308-L311 PolarHBondContact O-N 3.18Å |
| 309 | E | 92.1 | Very high | 93.8 | Very high | 98 Ų | 98 | 55.8 Ų | 55.8 | 46% | 0.458 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.2 | -35.1 | 173 | -69.1 | -66.8 | 178.2 | 0 | 0 | 111.9 | K270 A305 E306 L311 I312 | K270-E309 VanDerWaalsContact CE-CD 3.43Å; K270-E309 WeakPolarHBondContact CE-OE1 3.4Å; K270-E309 WeakPolarHBondContact CE-OE2 3.49Å; K270-E309 IonicContact NZ-OE1 2.81Å; K270-E309 PolarHBondContact NZ-OE1 2.73Å; K270-E309 IonicContact NZ-OE2 2.79Å; K270-E309 PolarHBondContact NZ-OE2 2.66Å; A305-E309 WeakPolarHBondContact O-CG 2.7Å; A305-E309 PolarHBondContact O-N 2.98Å; E306-E309 PolarHBondContact O-N 2.92Å; E309-L311 PolarHBondContact O-N 2.94Å; E309-I312 WeakPolarHBondContact O-CG2 3.36Å; E309-I312 PolarHBondContact O-N 3.26Å |
| 310 | G | 93.2 | Very high | 93.9 | Very high | 51 Ų | 51 | 55.3 Ų | 55.3 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -28.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E306 E307 L308 I312 A313 | E306-G310 PolarHBondContact O-N 3.03Å; E306-G310 VanDerWaalsContact O-N 3.12Å; E307-G310 PolarHBondContact O-N 2.83Å; L308-G310 VanDerWaalsContact C-N 3.32Å; G310-I312 PolarHBondContact O-N 3.39Å; G310-A313 PolarHBondContact O-N 3.06Å |
| 311 | L | 93.3 | Very high | 94.1 | Very high | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -61.9 | -24 | -178.5 | -69.6 | -173.3 | 0 | 0 | 0 | 114.4 | W269 V302 E307 L308 E309 A313 D314 E317 M318 Q321 | W269-L311 HydrophobicContact CE3-CD1 4.34Å; W269-L311 HydrophobicContact CZ3-CD1 4.12Å; V302-L311 HydrophobicContact CG1-CD1 3.8Å; V302-L311 HydrophobicContact CG1-CD2 4.02Å; V302-L311 HydrophobicContact CG1-CG 3.95Å; V302-L311 HydrophobicContact CG2-CD1 4.35Å; E307-L311 PolarHBondContact O-N 2.8Å; L308-L311 HydrophobicContact CD1-CD1 3.97Å; L308-L311 WeakPolarHBondContact O-CB 3.33Å; L308-L311 PolarHBondContact O-N 3.18Å; E309-L311 PolarHBondContact O-N 2.94Å; L311-A313 PolarHBondContact O-N 3.49Å; L311-A313 VanDerWaalsContact O-N 3.15Å; L311-D314 CarbonylContact O-C 3.26Å; L311-D314 PolarHBondContact O-N 2.65Å; L311-E317 HydrophobicContact CD2-CB 4.21Å; L311-E317 HydrophobicContact CD2-CG 3.48Å; L311-E317 VanDerWaalsContact CD2-CG 3.48Å; L311-M318 HydrophobicContact CB-CG 3.85Å; L311-M318 HydrophobicContact CD1-CG 4.43Å; L311-M318 WeakPolarHBondContact O-CG 3.47Å; L311-Q321 HydrophobicContact CD1-CG 3.8Å; L311-Q321 HydrophobicContact CD2-CG 4.19Å |
| 312 | I | 87.6 | Confident | 94.2 | Very high | 96 Ų | 96 | 48.7 Ų | 48.7 | 49% | 0.492 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -62.5 | -25.9 | -175.5 | -160.3 | 167.7 | 0 | 0 | 0 | 112.6 | L263 L266 E309 G310 D314 | L263-I312 HydrophobicContact CD2-CD1 3.96Å; L266-I312 HydrophobicContact CD2-CB 4.41Å; L266-I312 HydrophobicContact CD2-CD1 4.19Å; L266-I312 HydrophobicContact CD2-CG1 4.48Å; E309-I312 WeakPolarHBondContact O-CG2 3.36Å; E309-I312 PolarHBondContact O-N 3.26Å; G310-I312 PolarHBondContact O-N 3.39Å; I312-D314 VanDerWaalsContact C-N 3.34Å |
| 313 | A | 91 | Very high | 94.3 | Very high | 90 Ų | 90 | 48.2 Ų | 48.2 | 74% | 0.744 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -80.4 | -14.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G310 L311 | G310-A313 PolarHBondContact O-N 3.06Å; L311-A313 PolarHBondContact O-N 3.49Å; L311-A313 VanDerWaalsContact O-N 3.15Å |
| 314 | D | 95.1 | Very high | 94.6 | Very high | 75 Ų | 75 | 47.3 Ų | 47.3 | 40% | 0.401 | 27% | 0.269 | S | S | . | . | trans | -128.4 | 87.7 | -177 | -166 | -23.5 | 0 | 0 | 0 | 112 | L311 I312 D316 E317 M318 | L311-D314 CarbonylContact O-C 3.26Å; L311-D314 PolarHBondContact O-N 2.65Å; I312-D314 VanDerWaalsContact C-N 3.34Å; D314-D316 PolarHBondContact O-N 3.19Å; D314-D316 VanDerWaalsContact O-N 3.17Å; D314-D316 WeakPolarHBondContact OD1-CA 3.33Å; D314-D316 WeakPolarHBondContact OD1-CB 3.31Å; D314-D316 PolarHBondContact OD1-N 2.81Å; D314-E317 HydrophobicContact CB-CB 3.88Å; D314-E317 PolarHBondContact O-N 3.39Å; D314-E317 PolarHBondContact OD1-N 3.12Å; D314-M318 WeakPolarHBondContact O-CG 3.44Å; D314-M318 PolarHBondContact O-N 2.94Å; D314-M318 VanDerWaalsContact O-N 3.12Å | ||
| 315 | P | 94.4 | Very high | 94.8 | Very high | 53 Ų | 53 | 46 Ų | 46 | 34% | 0.344 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.8 | -23.9 | 174.8 | -27.1 | 36.6 | 0 | 0 | 0 | 114.4 | L262 R319 | L262-P315 HydrophobicContact CD1-CB 3.75Å; L262-P315 HydrophobicContact CD1-CG 4.3Å; P315-R319 WeakPolarHBondContact O-CD 3.36Å; P315-R319 VanDerWaalsContact O-CG 3.23Å; P315-R319 WeakPolarHBondContact O-CG 3.24Å; P315-R319 PolarHBondContact O-N 2.86Å; P315-R319 PolarHBondContact O-NE 2.86Å; P315-R319 PolarHBondContact O-NH1 3.39Å |
| 316 | D | 94.9 | Very high | 95.1 | Very high | 41 Ų | 41 | 43.9 Ų | 43.9 | 22% | 0.219 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -77.8 | -44.2 | -180 | -163.8 | 67.6 | 0 | 0 | 0 | 111.3 | D314 M318 R319 M320 Y348 R356 | D314-D316 PolarHBondContact O-N 3.19Å; D314-D316 VanDerWaalsContact O-N 3.17Å; D314-D316 WeakPolarHBondContact OD1-CA 3.33Å; D314-D316 WeakPolarHBondContact OD1-CB 3.31Å; D314-D316 PolarHBondContact OD1-N 2.81Å; D316-M318 VanDerWaalsContact C-N 3.32Å; D316-M318 PolarHBondContact O-N 3.42Å; D316-R319 WeakPolarHBondContact O-CA 3.23Å; D316-R319 WeakPolarHBondContact O-CB 3.37Å; D316-R319 PolarHBondContact O-N 2.72Å; D316-R319 IonicContact OD1-NH1 2.81Å; D316-M320 PolarHBondContact O-N 3.44Å; D316-M320 VanDerWaalsContact O-N 3.13Å; D316-Y348 VanDerWaalsContact CG-OH 3.3Å; D316-Y348 PolarHBondContact OD1-OH 3.31Å; D316-Y348 PolarHBondContact OD2-OH 3.04Å; D316-R356 IonicContact OD1-NH1 3.09Å; D316-R356 IonicContact OD2-CZ 2.65Å; D316-R356 IonicContact OD2-NH1 3.19Å; D316-R356 PolarHBondContact OD2-NH1 2.95Å; D316-R356 IonicContact OD2-NH2 3.28Å; D316-R356 PolarHBondContact OD2-NH2 2.8Å |
| 317 | E | 96.1 | Very high | 95.3 | Very high | 50 Ų | 50 | 38.8 Ų | 38.8 | 23% | 0.234 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.8 | -42.9 | 172.6 | -175.3 | 55.6 | -147.8 | 0 | 0 | 111 | L311 D314 R319 M320 Q321 | L311-E317 HydrophobicContact CD2-CB 4.21Å; L311-E317 HydrophobicContact CD2-CG 3.48Å; L311-E317 VanDerWaalsContact CD2-CG 3.48Å; D314-E317 HydrophobicContact CB-CB 3.88Å; D314-E317 PolarHBondContact O-N 3.39Å; D314-E317 PolarHBondContact OD1-N 3.12Å; E317-R319 PolarHBondContact O-N 3.1Å; E317-R319 VanDerWaalsContact O-N 3.09Å; E317-M320 WeakPolarHBondContact O-CA 3.49Å; E317-M320 WeakPolarHBondContact O-CB 3.28Å; E317-M320 PolarHBondContact O-N 3.02Å; E317-Q321 WeakPolarHBondContact O-CG 3.48Å; E317-Q321 PolarHBondContact O-N 3.22Å; E317-Q321 PolarHBondContact OE1-NE2 2.79Å |
| 318 | M | 97.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.4 | -32.7 | 173.4 | -69.8 | -172.8 | 79.4 | 0 | 0 | 113 | L262 L266 W269 L311 D314 D316 A322 | L262-M318 HydrophobicContact CB-CE 3.85Å; L262-M318 HydrophobicContact CB-SD 3.93Å; L262-M318 HydrophobicContact CD1-SD 4.13Å; L262-M318 HydrophobicContact CD2-CB 4.27Å; L262-M318 HydrophobicContact CD2-CE 4.23Å; L262-M318 HydrophobicContact CD2-SD 4.18Å; L262-M318 HydrophobicContact CG-SD 4.3Å; L262-M318 WeakPolarHBondContact O-CE 3.43Å; L266-M318 HydrophobicContact CB-CE 4.24Å; W269-M318 HydrophobicContact CE3-CE 4.35Å; W269-M318 WeakPolarHBondContact CH2-O 3.36Å; W269-M318 HydrophobicContact CZ3-CB 4.37Å; W269-M318 HydrophobicContact CZ3-CE 3.71Å; W269-M318 HydrophobicContact CZ3-CG 4.39Å; L311-M318 HydrophobicContact CB-CG 3.85Å; L311-M318 HydrophobicContact CD1-CG 4.43Å; L311-M318 WeakPolarHBondContact O-CG 3.47Å; D314-M318 WeakPolarHBondContact O-CG 3.44Å; D314-M318 PolarHBondContact O-N 2.94Å; D314-M318 VanDerWaalsContact O-N 3.12Å; D316-M318 VanDerWaalsContact C-N 3.32Å; D316-M318 PolarHBondContact O-N 3.42Å; M318-A322 PolarHBondContact O-N 3.24Å |
| 319 | R | 96.7 | Very high | 95.5 | Very high | 76 Ų | 76 | 38.2 Ų | 38.2 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -76.2 | -34.6 | 177.3 | -63 | 156 | -179.3 | 140.5 | 7.5 | 111.8 | V256 P315 D316 E317 Q321 A322 L323 | V256-R319 HydrophobicContact CG1-CB 4.35Å; V256-R319 HydrophobicContact CG1-CG 3.77Å; P315-R319 WeakPolarHBondContact O-CD 3.36Å; P315-R319 VanDerWaalsContact O-CG 3.23Å; P315-R319 WeakPolarHBondContact O-CG 3.24Å; P315-R319 PolarHBondContact O-N 2.86Å; P315-R319 PolarHBondContact O-NE 2.86Å; P315-R319 PolarHBondContact O-NH1 3.39Å; D316-R319 WeakPolarHBondContact O-CA 3.23Å; D316-R319 WeakPolarHBondContact O-CB 3.37Å; D316-R319 PolarHBondContact O-N 2.72Å; D316-R319 IonicContact OD1-NH1 2.81Å; E317-R319 PolarHBondContact O-N 3.1Å; E317-R319 VanDerWaalsContact O-N 3.09Å; R319-Q321 VanDerWaalsContact C-N 3.35Å; R319-A322 PolarHBondContact O-N 3.27Å; R319-L323 PolarHBondContact O-N 3.25Å |
| 320 | M | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.5 | -39.5 | 172.1 | -62.6 | -55.7 | 95.6 | 0 | 0 | 110.9 | A299 D316 E317 A322 L323 L324 R344 Y348 | A299-M320 HydrophobicContact CB-CB 3.75Å; A299-M320 HydrophobicContact CB-CG 4.3Å; D316-M320 PolarHBondContact O-N 3.44Å; D316-M320 VanDerWaalsContact O-N 3.13Å; E317-M320 WeakPolarHBondContact O-CA 3.49Å; E317-M320 WeakPolarHBondContact O-CB 3.28Å; E317-M320 PolarHBondContact O-N 3.02Å; M320-A322 VanDerWaalsContact C-N 3.29Å; M320-A322 PolarHBondContact O-N 3.39Å; M320-L323 HydrophobicContact CE-CD1 4.09Å; M320-L323 PolarHBondContact O-N 3.46Å; M320-L323 VanDerWaalsContact O-N 3.12Å; M320-L324 WeakPolarHBondContact O-CG 3.46Å; M320-L324 PolarHBondContact O-N 2.93Å; M320-R344 HydrophobicContact CE-CG 3.8Å; M320-Y348 HydrophobicContact CE-CE2 4.26Å; M320-Y348 WeakPolarHBondContact CE-OH 3.34Å |
| 321 | Q | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.9 | -43.7 | 172.4 | -63.5 | -63.2 | -49.4 | 0 | 0 | 111.8 | W269 K300 E301 L311 E317 R319 L323 L324 I325 | W269-Q321 HydrophobicContact CH2-CB 3.89Å; W269-Q321 HydrophobicContact CZ2-CB 4.4Å; W269-Q321 HydrophobicContact CZ3-CB 4.31Å; K300-Q321 PolarHBondContact O-NE2 3.22Å; E301-Q321 VanDerWaalsContact CA-OE1 3.26Å; L311-Q321 HydrophobicContact CD1-CG 3.8Å; L311-Q321 HydrophobicContact CD2-CG 4.19Å; E317-Q321 WeakPolarHBondContact O-CG 3.48Å; E317-Q321 PolarHBondContact O-N 3.22Å; E317-Q321 PolarHBondContact OE1-NE2 2.79Å; R319-Q321 VanDerWaalsContact C-N 3.35Å; Q321-L323 VanDerWaalsContact C-N 3.33Å; Q321-L323 PolarHBondContact O-N 3.42Å; Q321-L324 PolarHBondContact O-N 3.43Å; Q321-I325 VanDerWaalsContact O-CB 3.3Å; Q321-I325 WeakPolarHBondContact O-CB 3.45Å; Q321-I325 WeakPolarHBondContact O-CD1 3.44Å; Q321-I325 WeakPolarHBondContact O-CG1 3.24Å; Q321-I325 PolarHBondContact O-N 2.71Å |
| 322 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.5 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A253 V256 M318 R319 M320 R326 | A253-A322 HydrophobicContact CB-CB 3.78Å; V256-A322 HydrophobicContact CB-CB 3.98Å; V256-A322 HydrophobicContact CG1-CB 4.08Å; V256-A322 HydrophobicContact CG2-CB 4.27Å; M318-A322 PolarHBondContact O-N 3.24Å; R319-A322 PolarHBondContact O-N 3.27Å; M320-A322 VanDerWaalsContact C-N 3.29Å; M320-A322 PolarHBondContact O-N 3.39Å; A322-R326 VanDerWaalsContact O-CB 3.26Å; A322-R326 WeakPolarHBondContact O-CB 3.44Å; A322-R326 PolarHBondContact O-N 2.89Å |
| 323 | L | 98 | Very high | 96 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.9 | -47.7 | 176.8 | -63.1 | -174.4 | 0 | 0 | 0 | 112 | Y296 R319 M320 Q321 I325 R326 E327 I341 R344 L360 | Y296-L323 HydrophobicContact CD1-CB 4.46Å; Y296-L323 HydrophobicContact CD1-CD1 3.99Å; Y296-L323 HydrophobicContact CE1-CB 4Å; Y296-L323 HydrophobicContact CE1-CD1 3.69Å; Y296-L323 HydrophobicContact CE1-CG 4.5Å; R319-L323 PolarHBondContact O-N 3.25Å; M320-L323 HydrophobicContact CE-CD1 4.09Å; M320-L323 PolarHBondContact O-N 3.46Å; M320-L323 VanDerWaalsContact O-N 3.12Å; Q321-L323 VanDerWaalsContact C-N 3.33Å; Q321-L323 PolarHBondContact O-N 3.42Å; L323-I325 PolarHBondContact O-N 2.93Å; L323-R326 PolarHBondContact O-N 3.41Å; L323-E327 WeakPolarHBondContact O-CB 3.24Å; L323-E327 PolarHBondContact O-N 3.49Å; L323-I341 HydrophobicContact CD2-CG1 4.27Å; L323-R344 HydrophobicContact CD1-CB 4.02Å; L323-R344 HydrophobicContact CD1-CG 3.98Å; L323-R344 HydrophobicContact CD2-CB 4.49Å; L323-L360 HydrophobicContact CD1-CD2 4.07Å |
| 324 | L | 97.4 | Very high | 96.2 | Very high | 25 Ų | 25 | 29.1 Ų | 29.1 | 13% | 0.131 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.1 | -48.2 | 178.3 | -70.7 | 166.5 | 0 | 0 | 0 | 111.8 | Y296 A299 E301 M320 Q321 R326 E327 R328 | Y296-L324 HydrophobicContact CD2-CD2 3.61Å; Y296-L324 HydrophobicContact CD2-CG 4.25Å; Y296-L324 HydrophobicContact CE2-CD2 4.09Å; A299-L324 HydrophobicContact CB-CD1 3.9Å; E301-L324 HydrophobicContact CG-CB 3.6Å; E301-L324 HydrophobicContact CG-CD1 4.21Å; E301-L324 HydrophobicContact CG-CG 4.49Å; M320-L324 WeakPolarHBondContact O-CG 3.46Å; M320-L324 PolarHBondContact O-N 2.93Å; Q321-L324 PolarHBondContact O-N 3.43Å; L324-R326 PolarHBondContact O-N 3.14Å; L324-E327 PolarHBondContact O-N 2.88Å; L324-R328 WeakPolarHBondContact O-CB 3.4Å; L324-R328 PolarHBondContact O-N 3.39Å |
| 325 | I | 97.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60 | -47.5 | 177.3 | -72.4 | 167.1 | 0 | 0 | 0 | 110.5 | E249 A253 W269 E301 Q321 L323 R328 I329 | E249-I325 HydrophobicContact CB-CG2 3.76Å; A253-I325 HydrophobicContact CB-CG2 4.29Å; W269-I325 HydrophobicContact CZ2-CD1 3.91Å; E301-I325 HydrophobicContact CG-CG1 4.36Å; E301-I325 VanDerWaalsContact OE2-CG1 3.31Å; E301-I325 WeakPolarHBondContact OE2-CG1 3.39Å; Q321-I325 VanDerWaalsContact O-CB 3.3Å; Q321-I325 WeakPolarHBondContact O-CB 3.45Å; Q321-I325 WeakPolarHBondContact O-CD1 3.44Å; Q321-I325 WeakPolarHBondContact O-CG1 3.24Å; Q321-I325 PolarHBondContact O-N 2.71Å; L323-I325 PolarHBondContact O-N 2.93Å; I325-R328 PolarHBondContact O-N 2.78Å; I325-I329 HydrophobicContact CG2-CD1 3.61Å; I325-I329 WeakPolarHBondContact O-CB 3.42Å; I325-I329 VanDerWaalsContact O-CG1 3.28Å; I325-I329 WeakPolarHBondContact O-CG1 3.49Å; I325-I329 PolarHBondContact O-N 2.96Å |
| 326 | R | 97.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | -178.7 | -175.3 | 170.5 | -76.4 | 123.1 | -2.9 | 110.9 | L250 D257 A322 L323 L324 I329 L330 Y340 | L250-R326 HydrophobicContact CD1-CB 4.23Å; L250-R326 HydrophobicContact CD1-CG 4.14Å; D257-R326 IonicContact OD2-CZ 2.71Å; D257-R326 IonicContact OD2-NH1 2.75Å; D257-R326 PolarHBondContact OD2-NH1 3.4Å; D257-R326 IonicContact OD2-NH2 2.85Å; A322-R326 VanDerWaalsContact O-CB 3.26Å; A322-R326 WeakPolarHBondContact O-CB 3.44Å; A322-R326 PolarHBondContact O-N 2.89Å; L323-R326 PolarHBondContact O-N 3.41Å; L324-R326 PolarHBondContact O-N 3.14Å; R326-I329 PolarHBondContact O-N 2.91Å; R326-L330 HydrophobicContact CG-CD1 3.49Å; R326-L330 VanDerWaalsContact CG-CD1 3.49Å; R326-L330 HydrophobicContact CG-CG 4.01Å; R326-L330 VanDerWaalsContact O-CB 3.24Å; R326-L330 WeakPolarHBondContact O-CB 3.39Å; R326-L330 WeakPolarHBondContact O-CG 3.42Å; R326-L330 PolarHBondContact O-N 2.96Å; R326-Y340 VanDerWaalsContact CZ-CE2 3.43Å |
| 327 | E | 96.7 | Very high | 96.3 | Very high | 39 Ų | 39 | 24.6 Ų | 24.6 | 18% | 0.182 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 178.1 | -174.1 | 176 | 154 | 0 | 0 | 112.6 | Y296 L323 L324 I329 G331 T337 Y363 M367 | Y296-E327 VanDerWaalsContact CE2-OE2 3.25Å; Y296-E327 WeakPolarHBondContact CE2-OE2 3.45Å; Y296-E327 PolarHBondContact OH-OE2 2.98Å; L323-E327 WeakPolarHBondContact O-CB 3.24Å; L323-E327 PolarHBondContact O-N 3.49Å; L324-E327 PolarHBondContact O-N 2.88Å; E327-I329 VanDerWaalsContact C-N 3.34Å; E327-I329 PolarHBondContact O-N 3.04Å; E327-G331 WeakPolarHBondContact O-CA 3.15Å; E327-G331 PolarHBondContact O-N 3.31Å; E327-T337 HydrophobicContact CB-CG2 3.82Å; E327-T337 HydrophobicContact CG-CG2 3.92Å; E327-Y363 PolarHBondContact OE1-OH 3.48Å; E327-Y363 PolarHBondContact OE2-OH 3.42Å; E327-M367 HydrophobicContact CG-CE 4.11Å |
| 328 | R | 96.2 | Very high | 96.3 | Very high | 61 Ų | 61 | 22.5 Ų | 22.5 | 23% | 0.23 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.5 | 174.8 | 179.2 | 51.6 | 80.5 | 0.1 | 112.3 | N246 E249 P287 E301 L324 I325 | N246-R328 PolarHBondContact OD1-NH1 3.42Å; N246-R328 VanDerWaalsContact OD1-NH1 3.13Å; E249-R328 IonicContact OE1-NH2 2.74Å; E249-R328 IonicContact OE2-CZ 2.79Å; E249-R328 IonicContact OE2-NH1 3.47Å; E249-R328 PolarHBondContact OE2-NH1 3Å; E249-R328 IonicContact OE2-NH2 3.74Å; E249-R328 PolarHBondContact OE2-NH2 3.4Å; P287-R328 HydrophobicContact CG-CG 4.19Å; E301-R328 WeakPolarHBondContact OE1-CD 3.38Å; E301-R328 IonicContact OE1-CZ 2.83Å; E301-R328 IonicContact OE1-NE 3.88Å; E301-R328 PolarHBondContact OE1-NE 3.14Å; E301-R328 IonicContact OE1-NH2 3.55Å; E301-R328 IonicContact OE2-CZ 3.26Å; E301-R328 IonicContact OE2-NE 3.8Å; E301-R328 PolarHBondContact OE2-NE 3.36Å; E301-R328 IonicContact OE2-NH2 3.7Å; E301-R328 PolarHBondContact OE2-NH2 2.89Å; L324-R328 WeakPolarHBondContact O-CB 3.4Å; L324-R328 PolarHBondContact O-N 3.39Å; I325-R328 PolarHBondContact O-N 2.78Å |
| 329 | I | 97.2 | Very high | 96.3 | Very high | 26 Ų | 26 | 28.2 Ų | 28.2 | 13% | 0.133 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -83.9 | -45.6 | -171.2 | -65.5 | 173 | 0 | 0 | 0 | 111.6 | L219 N246 E249 L250 I325 R326 E327 | L219-I329 HydrophobicContact CD1-CG2 4.35Å; L219-I329 HydrophobicContact CD2-CG2 4.04Å; N246-I329 HydrophobicContact CB-CD1 3.88Å; N246-I329 HydrophobicContact CB-CG1 4.15Å; N246-I329 HydrophobicContact CB-CG2 4.11Å; N246-I329 VanDerWaalsContact O-CD1 3.29Å; N246-I329 WeakPolarHBondContact O-CD1 3.4Å; E249-I329 HydrophobicContact CB-CD1 3.99Å; L250-I329 HydrophobicContact CB-CD1 4.09Å; L250-I329 HydrophobicContact CD2-CG2 4.11Å; I325-I329 HydrophobicContact CG2-CD1 3.61Å; I325-I329 WeakPolarHBondContact O-CB 3.42Å; I325-I329 VanDerWaalsContact O-CG1 3.28Å; I325-I329 WeakPolarHBondContact O-CG1 3.49Å; I325-I329 PolarHBondContact O-N 2.96Å; R326-I329 PolarHBondContact O-N 2.91Å; E327-I329 VanDerWaalsContact C-N 3.34Å; E327-I329 PolarHBondContact O-N 3.04Å |
| 330 | L | 97.2 | Very high | 96.3 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 6% | 0.063 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -87.1 | -25.6 | -177.3 | -58.2 | -170.4 | 0 | 0 | 0 | 112.6 | M215 V223 L250 R326 H334 D336 T337 | M215-L330 HydrophobicContact CE-CD2 3.88Å; M215-L330 HydrophobicContact SD-CD2 3.23Å; M215-L330 WeakPolarHBondContact SD-CD2 3.47Å; V223-L330 HydrophobicContact CG2-CD1 4.37Å; V223-L330 HydrophobicContact CG2-CD2 4.46Å; L250-L330 HydrophobicContact CD1-CD1 4.41Å; L250-L330 HydrophobicContact CD1-CG 4.29Å; L250-L330 HydrophobicContact CD2-CD2 3.73Å; L250-L330 HydrophobicContact CD2-CG 4.33Å; R326-L330 HydrophobicContact CG-CD1 3.49Å; R326-L330 VanDerWaalsContact CG-CD1 3.49Å; R326-L330 HydrophobicContact CG-CG 4.01Å; R326-L330 VanDerWaalsContact O-CB 3.24Å; R326-L330 WeakPolarHBondContact O-CB 3.39Å; R326-L330 WeakPolarHBondContact O-CG 3.42Å; R326-L330 PolarHBondContact O-N 2.96Å; L330-H334 HydrophobicContact CB-CB 3.75Å; L330-H334 WeakPolarHBondContact O-CB 3.13Å; L330-D336 HydrophobicContact CD1-CB 3.94Å; L330-T337 WeakPolarHBondContact CB-OG1 3.21Å |
| 331 | G | 94.8 | Very high | 96.4 | Very high | 16 Ų | 16 | 25.6 Ų | 25.6 | 17% | 0.165 | 13% | 0.133 | C | C | . | . | trans | 79 | 170.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E327 S333 T337 | E327-G331 WeakPolarHBondContact O-CA 3.15Å; E327-G331 PolarHBondContact O-N 3.31Å; G331-S333 VanDerWaalsContact C-N 3.34Å; G331-S333 PolarHBondContact O-N 3.07Å; G331-T337 WeakPolarHBondContact O-CB 3.32Å; G331-T337 PolarHBondContact O-OG1 2.93Å | ||
| 332 | P | 92.8 | Very high | 96.4 | Very high | 57 Ų | 57 | 27.4 Ų | 27.4 | 37% | 0.37 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -20.3 | -175.1 | 29.5 | -36.3 | 0 | 0 | 0 | 114.1 | M367 | P332-M367 HydrophobicContact CB-CE 4.13Å; P332-M367 HydrophobicContact CB-CG 3.55Å; P332-M367 HydrophobicContact CB-SD 3.93Å; P332-M367 VanDerWaalsContact O-CG 3.25Å; P332-M367 WeakPolarHBondContact O-CG 3.24Å |
| 333 | S | 91.3 | Very high | 96.4 | Very high | 53 Ų | 53 | 30.2 Ų | 30.2 | 37% | 0.371 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -16.7 | 179.5 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | G331 | G331-S333 VanDerWaalsContact C-N 3.34Å; G331-S333 PolarHBondContact O-N 3.07Å |
| 334 | H | 95.1 | Very high | 96.4 | Very high | 16 Ų | 16 | 30.6 Ų | 30.6 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -75.6 | 131 | -177.7 | -167.4 | -72.1 | 0 | 0 | 0 | 111.2 | L330 D336 T337 | L330-H334 HydrophobicContact CB-CB 3.75Å; L330-H334 WeakPolarHBondContact O-CB 3.13Å; H334-D336 VanDerWaalsContact C-N 3.32Å; H334-D336 IonicContact CE1-OD2 2.69Å; H334-D336 WeakPolarHBondContact ND1-CB 3.24Å; H334-D336 PolarHBondContact ND1-N 3.12Å; H334-D336 VanDerWaalsContact ND1-N 3.12Å; H334-D336 PolarHBondContact O-N 3.22Å; H334-T337 WeakPolarHBondContact O-CB 3.49Å; H334-T337 PolarHBondContact O-N 3.21Å; H334-T337 VanDerWaalsContact O-N 3.1Å |
| 335 | P | 93.5 | Very high | 96.4 | Very high | 31 Ų | 31 | 29.4 Ų | 29.4 | 20% | 0.201 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -52.7 | -45 | -178.1 | -29.7 | 36 | 0 | 0 | 0 | 114 | Y213 T337 S338 Y339 M378 | Y213-P335 HydrophobicContact CE1-CG 4.18Å; P335-T337 VanDerWaalsContact C-N 3.27Å; P335-T337 PolarHBondContact O-N 2.85Å; P335-S338 PolarHBondContact O-N 3.41Å; P335-S338 PolarHBondContact O-OG 3.07Å; P335-S338 VanDerWaalsContact O-OG 3.07Å; P335-Y339 WeakPolarHBondContact O-CB 3.11Å; P335-Y339 PolarHBondContact O-N 3.27Å; P335-M378 HydrophobicContact CB-SD 3.94Å; P335-M378 HydrophobicContact CG-CE 4.34Å; P335-M378 HydrophobicContact CG-SD 4.26Å |
| 336 | D | 95.5 | Very high | 96.3 | Very high | 41 Ų | 41 | 30.8 Ų | 30.8 | 22% | 0.219 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.8 | -31.4 | -179.2 | -72.9 | 7.3 | 0 | 0 | 0 | 114.1 | V223 L330 H334 Y339 Y340 | V223-D336 WeakPolarHBondContact CG1-OD2 3.43Å; L330-D336 HydrophobicContact CD1-CB 3.94Å; H334-D336 VanDerWaalsContact C-N 3.32Å; H334-D336 IonicContact CE1-OD2 2.69Å; H334-D336 WeakPolarHBondContact ND1-CB 3.24Å; H334-D336 PolarHBondContact ND1-N 3.12Å; H334-D336 VanDerWaalsContact ND1-N 3.12Å; H334-D336 PolarHBondContact O-N 3.22Å; D336-Y339 PolarHBondContact O-N 2.98Å; D336-Y340 HydrophobicContact CB-CD2 4.19Å; D336-Y340 HydrophobicContact CB-CE2 4.41Å; D336-Y340 WeakPolarHBondContact O-CB 3.3Å; D336-Y340 VanDerWaalsContact O-CD2 3.28Å; D336-Y340 WeakPolarHBondContact O-CD2 3.35Å; D336-Y340 PolarHBondContact O-N 3.12Å |
| 337 | T | 97.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.4 | -58.1 | 176.7 | -55 | 0 | 0 | 0 | 0 | 109.4 | E327 L330 G331 H334 P335 Y339 Y340 I341 M367 | E327-T337 HydrophobicContact CB-CG2 3.82Å; E327-T337 HydrophobicContact CG-CG2 3.92Å; L330-T337 WeakPolarHBondContact CB-OG1 3.21Å; G331-T337 WeakPolarHBondContact O-CB 3.32Å; G331-T337 PolarHBondContact O-OG1 2.93Å; H334-T337 WeakPolarHBondContact O-CB 3.49Å; H334-T337 PolarHBondContact O-N 3.21Å; H334-T337 VanDerWaalsContact O-N 3.1Å; P335-T337 VanDerWaalsContact C-N 3.27Å; P335-T337 PolarHBondContact O-N 2.85Å; T337-Y339 VanDerWaalsContact C-N 3.33Å; T337-Y339 PolarHBondContact O-N 3.32Å; T337-Y340 PolarHBondContact O-N 2.7Å; T337-I341 HydrophobicContact CG2-CD1 4.15Å; T337-I341 WeakPolarHBondContact O-CD1 3.22Å; T337-I341 VanDerWaalsContact O-CG1 3.24Å; T337-I341 WeakPolarHBondContact O-CG1 3.41Å; T337-I341 PolarHBondContact O-N 3.18Å; T337-M367 HydrophobicContact CG2-CE 3.94Å; T337-M367 HydrophobicContact CG2-SD 3.66Å |
| 338 | S | 96.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.7 | -35.9 | 178.7 | 75.3 | 0 | 0 | 0 | 0 | 112.8 | P335 R342 Q368 | P335-S338 PolarHBondContact O-N 3.41Å; P335-S338 PolarHBondContact O-OG 3.07Å; P335-S338 VanDerWaalsContact O-OG 3.07Å; S338-R342 WeakPolarHBondContact O-CB 3.5Å; S338-R342 WeakPolarHBondContact O-CG 3.41Å; S338-R342 PolarHBondContact O-N 3.28Å; S338-Q368 PolarHBondContact OG-NE2 3.14Å; S338-Q368 VanDerWaalsContact OG-NE2 3.09Å |
| 339 | Y | 97.3 | Very high | 96.1 | Very high | 123 Ų | 123 | 29.5 Ų | 29.5 | 48% | 0.482 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.7 | -48.2 | 178.5 | 172 | -94.9 | 0 | 0 | 0 | 111.8 | P335 D336 T337 R342 Y343 | P335-Y339 WeakPolarHBondContact O-CB 3.11Å; P335-Y339 PolarHBondContact O-N 3.27Å; D336-Y339 PolarHBondContact O-N 2.98Å; T337-Y339 VanDerWaalsContact C-N 3.33Å; T337-Y339 PolarHBondContact O-N 3.32Å; Y339-R342 CarbonylContact O-C 3.32Å; Y339-R342 WeakPolarHBondContact O-CB 3.47Å; Y339-R342 PolarHBondContact O-N 3.33Å; Y339-Y343 WeakPolarHBondContact O-CB 3.38Å; Y339-Y343 PolarHBondContact O-N 2.79Å |
| 340 | Y | 97.8 | Very high | 95.9 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 8% | 0.082 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -74.8 | -30.3 | -176.6 | -82.4 | -76.5 | 0 | 0 | 0 | 113.2 | D257 R326 D336 T337 R342 Y343 R344 | D257-Y340 HydrophobicContact CB-CD1 3.58Å; D257-Y340 HydrophobicContact CB-CE1 3.37Å; R326-Y340 VanDerWaalsContact CZ-CE2 3.43Å; D336-Y340 HydrophobicContact CB-CD2 4.19Å; D336-Y340 HydrophobicContact CB-CE2 4.41Å; D336-Y340 WeakPolarHBondContact O-CB 3.3Å; D336-Y340 VanDerWaalsContact O-CD2 3.28Å; D336-Y340 WeakPolarHBondContact O-CD2 3.35Å; D336-Y340 PolarHBondContact O-N 3.12Å; T337-Y340 PolarHBondContact O-N 2.7Å; Y340-R342 VanDerWaalsContact C-N 3.3Å; Y340-Y343 HydrophobicContact CD1-CD1 4.13Å; Y340-Y343 PolarHBondContact O-N 3.04Å; Y340-R344 WeakPolarHBondContact O-CB 3.44Å; Y340-R344 PolarHBondContact O-N 3.23Å |
| 341 | I | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 167.8 | -63 | 163.7 | 0 | 0 | 0 | 109.6 | Y296 L323 T337 R344 G345 L360 Y363 A364 M367 | Y296-I341 HydrophobicContact CE1-CG1 4.18Å; Y296-I341 HydrophobicContact CE1-CG2 4.46Å; Y296-I341 WeakPolarHBondContact OH-CD1 3.08Å; Y296-I341 VanDerWaalsContact OH-CG1 3.29Å; Y296-I341 WeakPolarHBondContact OH-CG1 3.06Å; L323-I341 HydrophobicContact CD2-CG1 4.27Å; T337-I341 HydrophobicContact CG2-CD1 4.15Å; T337-I341 WeakPolarHBondContact O-CD1 3.22Å; T337-I341 VanDerWaalsContact O-CG1 3.24Å; T337-I341 WeakPolarHBondContact O-CG1 3.41Å; T337-I341 PolarHBondContact O-N 3.18Å; I341-R344 PolarHBondContact O-N 3.05Å; I341-G345 PolarHBondContact O-N 2.98Å; I341-L360 HydrophobicContact CG2-CB 4.01Å; I341-L360 HydrophobicContact CG2-CD2 3.94Å; I341-L360 WeakPolarHBondContact CG2-O 3.21Å; I341-Y363 HydrophobicContact CD1-CD1 4.17Å; I341-Y363 HydrophobicContact CD1-CE1 4.24Å; I341-A364 HydrophobicContact CB-CB 4.11Å; I341-A364 HydrophobicContact CG2-CB 3.81Å; I341-M367 HydrophobicContact CD1-CE 3.75Å; I341-M367 HydrophobicContact CD1-SD 4.12Å |
| 342 | R | 98.2 | Very high | 95.4 | Very high | 38 Ų | 38 | 39.5 Ų | 39.5 | 14% | 0.143 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.7 | -44.4 | 176.4 | -73.6 | -177.9 | 64.6 | -143.8 | -0 | 112.7 | S338 Y339 Y340 R344 G345 A346 W361 A364 S381 S382 S385 | S338-R342 WeakPolarHBondContact O-CB 3.5Å; S338-R342 WeakPolarHBondContact O-CG 3.41Å; S338-R342 PolarHBondContact O-N 3.28Å; Y339-R342 CarbonylContact O-C 3.32Å; Y339-R342 WeakPolarHBondContact O-CB 3.47Å; Y339-R342 PolarHBondContact O-N 3.33Å; Y340-R342 VanDerWaalsContact C-N 3.3Å; R342-R344 VanDerWaalsContact C-N 3.3Å; R342-R344 PolarHBondContact O-N 3.32Å; R342-G345 WeakPolarHBondContact O-CA 3.28Å; R342-G345 PolarHBondContact O-N 2.9Å; R342-G345 VanDerWaalsContact O-N 3.14Å; R342-A346 PolarHBondContact O-N 3.29Å; R342-W361 PolarHBondContact O-NE1 3.12Å; R342-A364 HydrophobicContact CG-CB 3.7Å; R342-S381 PolarHBondContact NH1-OG 2.86Å; R342-S382 VanDerWaalsContact CD-OG 3.31Å; R342-S382 WeakPolarHBondContact CD-OG 3.47Å; R342-S382 PolarHBondContact NE-OG 2.88Å; R342-S385 PolarHBondContact NH2-OG 3.14Å |
| 343 | Y | 97.5 | Very high | 95.3 | Very high | 60 Ų | 60 | 39.9 Ų | 39.9 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.1 | -45.9 | 175.8 | 171.3 | -105.1 | 0 | 0 | 0 | 111 | D257 Y339 Y340 G345 A346 V347 | D257-Y343 HydrophobicContact CB-CE1 4.36Å; Y339-Y343 WeakPolarHBondContact O-CB 3.38Å; Y339-Y343 PolarHBondContact O-N 2.79Å; Y340-Y343 HydrophobicContact CD1-CD1 4.13Å; Y340-Y343 PolarHBondContact O-N 3.04Å; Y343-G345 VanDerWaalsContact C-N 3.32Å; Y343-G345 PolarHBondContact O-N 2.75Å; Y343-A346 WeakPolarHBondContact O-CB 3.25Å; Y343-A346 PolarHBondContact O-N 2.59Å; Y343-A346 VanDerWaalsContact O-N 3.14Å; Y343-V347 HydrophobicContact CE1-CG2 4.15Å; Y343-V347 HydrophobicContact CE2-CG2 4.22Å; Y343-V347 WeakPolarHBondContact O-CG2 3.12Å; Y343-V347 PolarHBondContact O-N 2.72Å |
| 344 | R | 97.7 | Very high | 95.4 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 4% | 0.038 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 175.7 | -177.5 | 56.2 | 54.9 | -159.2 | -0.7 | 111.9 | D257 M320 L323 Y340 I341 R342 A346 V347 Y348 L360 | D257-R344 IonicContact OD1-CZ 3.39Å; D257-R344 IonicContact OD1-NH2 3.63Å; D257-R344 PolarHBondContact OD1-NH2 2.96Å; M320-R344 HydrophobicContact CE-CG 3.8Å; L323-R344 HydrophobicContact CD1-CB 4.02Å; L323-R344 HydrophobicContact CD1-CG 3.98Å; L323-R344 HydrophobicContact CD2-CB 4.49Å; Y340-R344 WeakPolarHBondContact O-CB 3.44Å; Y340-R344 PolarHBondContact O-N 3.23Å; I341-R344 PolarHBondContact O-N 3.05Å; R342-R344 VanDerWaalsContact C-N 3.3Å; R342-R344 PolarHBondContact O-N 3.32Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 3.15Å; R344-V347 PolarHBondContact O-N 2.85Å; R344-Y348 HydrophobicContact CG-CD2 4.15Å; R344-Y348 HydrophobicContact CG-CE2 3.6Å; R344-Y348 VanDerWaalsContact O-CD2 3.24Å; R344-Y348 WeakPolarHBondContact O-CD2 3.42Å; R344-Y348 PolarHBondContact O-N 2.93Å; R344-Y348 VanDerWaalsContact O-N 3.12Å; R344-L360 HydrophobicContact CB-CD1 4.2Å; R344-L360 HydrophobicContact CG-CD1 3.77Å |
| 345 | G | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I341 R342 Y343 V347 Y348 A349 C357 | I341-G345 PolarHBondContact O-N 2.98Å; R342-G345 WeakPolarHBondContact O-CA 3.28Å; R342-G345 PolarHBondContact O-N 2.9Å; R342-G345 VanDerWaalsContact O-N 3.14Å; Y343-G345 VanDerWaalsContact C-N 3.32Å; Y343-G345 PolarHBondContact O-N 2.75Å; G345-V347 VanDerWaalsContact C-N 3.34Å; G345-V347 PolarHBondContact O-N 2.95Å; G345-Y348 WeakPolarHBondContact O-CB 3.31Å; G345-Y348 PolarHBondContact O-N 2.73Å; G345-A349 PolarHBondContact O-N 2.91Å; G345-C357 VanDerWaalsContact C-SG 3.52Å; G345-C357 WeakPolarHBondContact O-CB 3.34Å; G345-C357 PolarHBondContact O-SG 2.89Å |
| 346 | A | 97 | Very high | 95.3 | Very high | 32 Ų | 32 | 43 Ų | 43 | 26% | 0.264 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R342 Y343 R344 Y348 A349 D350 W361 | R342-A346 PolarHBondContact O-N 3.29Å; Y343-A346 WeakPolarHBondContact O-CB 3.25Å; Y343-A346 PolarHBondContact O-N 2.59Å; Y343-A346 VanDerWaalsContact O-N 3.14Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 3.15Å; A346-Y348 VanDerWaalsContact C-N 3.26Å; A346-Y348 PolarHBondContact O-N 3.28Å; A346-A349 WeakPolarHBondContact O-CB 3.5Å; A346-A349 PolarHBondContact O-N 3.47Å; A346-D350 PolarHBondContact O-N 2.88Å; A346-W361 HydrophobicContact CB-CZ2 4.14Å |
| 347 | V | 95.6 | Very high | 95.4 | Very high | 47 Ų | 47 | 41 Ų | 41 | 29% | 0.285 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60 | -35.4 | 174.8 | 174.1 | 0 | 0 | 0 | 0 | 112 | Y343 R344 G345 S351 | Y343-V347 HydrophobicContact CE1-CG2 4.15Å; Y343-V347 HydrophobicContact CE2-CG2 4.22Å; Y343-V347 WeakPolarHBondContact O-CG2 3.12Å; Y343-V347 PolarHBondContact O-N 2.72Å; R344-V347 PolarHBondContact O-N 2.85Å; G345-V347 VanDerWaalsContact C-N 3.34Å; G345-V347 PolarHBondContact O-N 2.95Å; V347-S351 PolarHBondContact O-N 3.16Å |
| 348 | Y | 95.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 41 Ų | 41 | 5% | 0.051 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.9 | -35.1 | 172.7 | -72.7 | -57.1 | 0 | 0 | 0 | 113 | D316 M320 R344 G345 A346 D350 S351 G352 N353 R356 L360 | D316-Y348 VanDerWaalsContact CG-OH 3.3Å; D316-Y348 PolarHBondContact OD1-OH 3.31Å; D316-Y348 PolarHBondContact OD2-OH 3.04Å; M320-Y348 HydrophobicContact CE-CE2 4.26Å; M320-Y348 WeakPolarHBondContact CE-OH 3.34Å; R344-Y348 HydrophobicContact CG-CD2 4.15Å; R344-Y348 HydrophobicContact CG-CE2 3.6Å; R344-Y348 VanDerWaalsContact O-CD2 3.24Å; R344-Y348 WeakPolarHBondContact O-CD2 3.42Å; R344-Y348 PolarHBondContact O-N 2.93Å; R344-Y348 VanDerWaalsContact O-N 3.12Å; G345-Y348 WeakPolarHBondContact O-CB 3.31Å; G345-Y348 PolarHBondContact O-N 2.73Å; A346-Y348 VanDerWaalsContact C-N 3.26Å; A346-Y348 PolarHBondContact O-N 3.28Å; Y348-D350 VanDerWaalsContact C-N 3.34Å; Y348-S351 PolarHBondContact O-N 3.34Å; Y348-S351 PolarHBondContact O-OG 3.11Å; Y348-G352 PolarHBondContact O-N 3.49Å; Y348-N353 HydrophobicContact CD1-CB 4.37Å; Y348-N353 CarbonylContact O-C 3.44Å; Y348-N353 WeakPolarHBondContact O-CA 3.04Å; Y348-N353 PolarHBondContact O-N 3.38Å; Y348-R356 HydrophobicContact CD1-CG 4.44Å; Y348-R356 HydrophobicContact CD2-CB 4.04Å; Y348-R356 HydrophobicContact CD2-CG 3.56Å; Y348-R356 HydrophobicContact CE2-CG 3.68Å; Y348-R356 VanDerWaalsContact CE2-NE 3.31Å; Y348-R356 HydrophobicContact CG-CB 4.02Å; Y348-R356 HydrophobicContact CG-CG 3.98Å; Y348-R356 VanDerWaalsContact CZ-CD 3.41Å; Y348-R356 PolarHBondContact OH-NE 3.07Å; Y348-R356 PolarHBondContact OH-NH1 3.09Å; Y348-R356 PolarHBondContact OH-NH2 3.3Å; Y348-R356 VanDerWaalsContact OH-NH2 3.1Å; Y348-L360 HydrophobicContact CD2-CD1 3.62Å; Y348-L360 HydrophobicContact CE2-CD1 3.67Å |
| 349 | A | 94 | Very high | 95.3 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 12% | 0.116 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G345 A346 S351 G352 F354 C357 L389 | G345-A349 PolarHBondContact O-N 2.91Å; A346-A349 WeakPolarHBondContact O-CB 3.5Å; A346-A349 PolarHBondContact O-N 3.47Å; A349-S351 PolarHBondContact O-N 2.86Å; A349-G352 PolarHBondContact O-N 3.32Å; A349-F354 HydrophobicContact CB-CD1 4.17Å; A349-F354 HydrophobicContact CB-CE1 4.22Å; A349-C357 HydrophobicContact CB-CB 3.99Å; A349-L389 HydrophobicContact CB-CD1 4.13Å |
| 350 | D | 92.4 | Very high | 95.4 | Very high | 144 Ų | 144 | 36.5 Ų | 36.5 | 77% | 0.77 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -60.9 | -29.2 | 177 | -68.8 | -17 | 0 | 0 | 0 | 112.6 | A346 Y348 | A346-D350 PolarHBondContact O-N 2.88Å; Y348-D350 VanDerWaalsContact C-N 3.34Å |
| 351 | S | 91.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 36.6 Ų | 36.6 | 62% | 0.622 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 5.6 | 174.3 | 67.7 | 0 | 0 | 0 | 0 | 114.3 | V347 Y348 A349 N353 | V347-S351 PolarHBondContact O-N 3.16Å; Y348-S351 PolarHBondContact O-N 3.34Å; Y348-S351 PolarHBondContact O-OG 3.11Å; A349-S351 PolarHBondContact O-N 2.86Å; S351-N353 VanDerWaalsContact C-N 3.33Å |
| 352 | G | 90.1 | Very high | 95.4 | Very high | 32 Ų | 32 | 38.6 Ų | 38.6 | 33% | 0.33 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 2.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y348 A349 F354 | Y348-G352 PolarHBondContact O-N 3.49Å; A349-G352 PolarHBondContact O-N 3.32Å; G352-F354 VanDerWaalsContact C-N 3.27Å; G352-F354 WeakPolarHBondContact O-CD2 3.25Å; G352-F354 PolarHBondContact O-N 2.86Å; G352-F354 VanDerWaalsContact O-N 3.07Å |
| 353 | N | 91.9 | Very high | 95.4 | Very high | 65 Ų | 65 | 39.1 Ų | 39.1 | 35% | 0.348 | 21% | 0.21 | S | C | . | . | trans | -85.8 | 67.1 | 174.3 | -167.9 | -15.7 | 0 | 0 | 0 | 111.4 | Y348 S351 K355 R356 C357 | Y348-N353 HydrophobicContact CD1-CB 4.37Å; Y348-N353 CarbonylContact O-C 3.44Å; Y348-N353 WeakPolarHBondContact O-CA 3.04Å; Y348-N353 PolarHBondContact O-N 3.38Å; S351-N353 VanDerWaalsContact C-N 3.33Å; N353-K355 VanDerWaalsContact C-N 3.27Å; N353-K355 PolarHBondContact O-N 3.05Å; N353-R356 PolarHBondContact O-N 2.59Å; N353-R356 VanDerWaalsContact OD1-CB 3.3Å; N353-R356 WeakPolarHBondContact OD1-CB 3.29Å; N353-R356 PolarHBondContact OD1-N 3.48Å; N353-R356 VanDerWaalsContact OD1-N 3.14Å; N353-C357 PolarHBondContact O-N 3.45Å | ||
| 354 | F | 93.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 4% | 0.035 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -32.4 | -179.1 | -60.9 | -77.6 | 0 | 0 | 0 | 113 | A349 G352 R356 C357 I358 L389 F392 M393 L402 T404 | A349-F354 HydrophobicContact CB-CD1 4.17Å; A349-F354 HydrophobicContact CB-CE1 4.22Å; G352-F354 VanDerWaalsContact C-N 3.27Å; G352-F354 WeakPolarHBondContact O-CD2 3.25Å; G352-F354 PolarHBondContact O-N 2.86Å; G352-F354 VanDerWaalsContact O-N 3.07Å; F354-R356 PolarHBondContact O-N 3.41Å; F354-C357 WeakPolarHBondContact O-CB 3.37Å; F354-C357 PolarHBondContact O-N 2.89Å; F354-I358 WeakPolarHBondContact O-CB 3.33Å; F354-I358 VanDerWaalsContact O-CG1 3.25Å; F354-I358 WeakPolarHBondContact O-CG1 3.41Å; F354-I358 PolarHBondContact O-N 3.29Å; F354-L389 HydrophobicContact CD1-CD1 3.86Å; F354-L389 HydrophobicContact CE1-CD1 4.03Å; F354-F392 HydrophobicContact CE1-CD1 4.28Å; F354-F392 HydrophobicContact CE1-CE1 4.16Å; F354-F392 HydrophobicContact CZ-CD1 4.5Å; F354-F392 HydrophobicContact CZ-CE1 4Å; F354-M393 HydrophobicContact CB-CE 3.69Å; F354-M393 HydrophobicContact CB-SD 4.02Å; F354-M393 HydrophobicContact CD1-CE 4.4Å; F354-M393 HydrophobicContact CD1-CG 3.93Å; F354-M393 HydrophobicContact CD1-SD 3.9Å; F354-M393 HydrophobicContact CD2-CE 4.43Å; F354-M393 HydrophobicContact CE1-CG 4.13Å; F354-M393 HydrophobicContact CG-CE 3.91Å; F354-M393 HydrophobicContact CG-CG 4.29Å; F354-M393 HydrophobicContact CG-SD 4.02Å; F354-L402 HydrophobicContact CE2-CD1 4.15Å; F354-L402 HydrophobicContact CE2-CD2 3.74Å; F354-L402 HydrophobicContact CZ-CD1 4.24Å; F354-L402 HydrophobicContact CZ-CD2 4.1Å; F354-T404 WeakPolarHBondContact CD2-OG1 3.49Å |
| 355 | K | 93.1 | Very high | 95.4 | Very high | 116 Ų | 116 | 35.8 Ų | 35.8 | 50% | 0.504 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 179.1 | -176 | 59.6 | 174 | -177.8 | 0 | 111.3 | N353 I358 N359 | N353-K355 VanDerWaalsContact C-N 3.27Å; N353-K355 PolarHBondContact O-N 3.05Å; K355-I358 PolarHBondContact O-N 3.43Å; K355-N359 PolarHBondContact O-N 3.18Å |
| 356 | R | 94 | Very high | 95.4 | Very high | 40 Ų | 40 | 38.7 Ų | 38.7 | 15% | 0.151 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.5 | -38.4 | 177.7 | -163.4 | 167.3 | -173.8 | -180 | -0.5 | 112.1 | D316 Y348 N353 F354 I358 N359 L360 | D316-R356 IonicContact OD1-NH1 3.09Å; D316-R356 IonicContact OD2-CZ 2.65Å; D316-R356 IonicContact OD2-NH1 3.19Å; D316-R356 PolarHBondContact OD2-NH1 2.95Å; D316-R356 IonicContact OD2-NH2 3.28Å; D316-R356 PolarHBondContact OD2-NH2 2.8Å; Y348-R356 HydrophobicContact CD1-CG 4.44Å; Y348-R356 HydrophobicContact CD2-CB 4.04Å; Y348-R356 HydrophobicContact CD2-CG 3.56Å; Y348-R356 HydrophobicContact CE2-CG 3.68Å; Y348-R356 VanDerWaalsContact CE2-NE 3.31Å; Y348-R356 HydrophobicContact CG-CB 4.02Å; Y348-R356 HydrophobicContact CG-CG 3.98Å; Y348-R356 VanDerWaalsContact CZ-CD 3.41Å; Y348-R356 PolarHBondContact OH-NE 3.07Å; Y348-R356 PolarHBondContact OH-NH1 3.09Å; Y348-R356 PolarHBondContact OH-NH2 3.3Å; Y348-R356 VanDerWaalsContact OH-NH2 3.1Å; N353-R356 PolarHBondContact O-N 2.59Å; N353-R356 VanDerWaalsContact OD1-CB 3.3Å; N353-R356 WeakPolarHBondContact OD1-CB 3.29Å; N353-R356 PolarHBondContact OD1-N 3.48Å; N353-R356 VanDerWaalsContact OD1-N 3.14Å; F354-R356 PolarHBondContact O-N 3.41Å; R356-I358 PolarHBondContact O-N 3.5Å; R356-N359 PolarHBondContact O-N 3.29Å; R356-L360 HydrophobicContact CG-CD1 4.31Å; R356-L360 PolarHBondContact O-N 2.97Å |
| 357 | C | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.1 | -53.1 | 170.4 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | G345 A349 N353 F354 N359 L360 W361 | G345-C357 VanDerWaalsContact C-SG 3.52Å; G345-C357 WeakPolarHBondContact O-CB 3.34Å; G345-C357 PolarHBondContact O-SG 2.89Å; A349-C357 HydrophobicContact CB-CB 3.99Å; N353-C357 PolarHBondContact O-N 3.45Å; F354-C357 WeakPolarHBondContact O-CB 3.37Å; F354-C357 PolarHBondContact O-N 2.89Å; C357-N359 VanDerWaalsContact C-N 3.34Å; C357-N359 PolarHBondContact O-N 2.9Å; C357-L360 PolarHBondContact O-N 2.9Å; C357-W361 WeakPolarHBondContact O-CB 3.47Å; C357-W361 PolarHBondContact O-N 3.35Å |
| 358 | I | 96.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | -178.6 | -70.3 | 164.1 | 0 | 0 | 0 | 111 | F354 K355 R356 K362 F386 L389 F390 M393 | F354-I358 WeakPolarHBondContact O-CB 3.33Å; F354-I358 VanDerWaalsContact O-CG1 3.25Å; F354-I358 WeakPolarHBondContact O-CG1 3.41Å; F354-I358 PolarHBondContact O-N 3.29Å; K355-I358 PolarHBondContact O-N 3.43Å; R356-I358 PolarHBondContact O-N 3.5Å; I358-K362 HydrophobicContact CG2-CD 3.78Å; I358-K362 HydrophobicContact CG2-CG 4.27Å; I358-K362 VanDerWaalsContact O-CB 3.26Å; I358-K362 WeakPolarHBondContact O-CB 3.48Å; I358-K362 VanDerWaalsContact O-CG 3.26Å; I358-K362 WeakPolarHBondContact O-CG 3.29Å; I358-K362 PolarHBondContact O-N 3.48Å; I358-F386 HydrophobicContact CG2-CE1 4.42Å; I358-L389 HydrophobicContact CG1-CD2 4.13Å; I358-F390 HydrophobicContact CD1-CE1 3.94Å; I358-F390 HydrophobicContact CG1-CE1 4.15Å; I358-M393 HydrophobicContact CD1-SD 4.47Å |
| 359 | N | 96.6 | Very high | 95.6 | Very high | 34 Ų | 34 | 35.7 Ų | 35.7 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | 179 | -71.9 | -8.7 | 0 | 0 | 0 | 112 | M294 K355 R356 C357 K362 Y363 | M294-N359 HydrophobicContact SD-CB 4.42Å; K355-N359 PolarHBondContact O-N 3.18Å; R356-N359 PolarHBondContact O-N 3.29Å; C357-N359 VanDerWaalsContact C-N 3.34Å; C357-N359 PolarHBondContact O-N 2.9Å; N359-K362 PolarHBondContact O-N 2.88Å; N359-Y363 PolarHBondContact O-N 3.49Å; N359-Y363 VanDerWaalsContact O-N 3.07Å |
| 360 | L | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 177.8 | -75.3 | 166 | 0 | 0 | 0 | 112.1 | A295 Y296 L323 I341 R344 Y348 R356 C357 K362 Y363 A364 | A295-L360 HydrophobicContact CB-CD2 4.34Å; A295-L360 WeakPolarHBondContact O-CD2 3.37Å; Y296-L360 HydrophobicContact CD1-CD2 3.69Å; Y296-L360 HydrophobicContact CE1-CD2 3.78Å; L323-L360 HydrophobicContact CD1-CD2 4.07Å; I341-L360 HydrophobicContact CG2-CB 4.01Å; I341-L360 HydrophobicContact CG2-CD2 3.94Å; I341-L360 WeakPolarHBondContact CG2-O 3.21Å; R344-L360 HydrophobicContact CB-CD1 4.2Å; R344-L360 HydrophobicContact CG-CD1 3.77Å; Y348-L360 HydrophobicContact CD2-CD1 3.62Å; Y348-L360 HydrophobicContact CE2-CD1 3.67Å; R356-L360 HydrophobicContact CG-CD1 4.31Å; R356-L360 PolarHBondContact O-N 2.97Å; C357-L360 PolarHBondContact O-N 2.9Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 3.5Å; L360-Y363 PolarHBondContact O-N 2.93Å; L360-A364 PolarHBondContact O-N 3.3Å |
| 361 | W | 98.4 | Very high | 95.7 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 9% | 0.087 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.5 | -35.6 | 178.5 | -73.7 | 11.4 | 0 | 0 | 0 | 112.1 | R342 A346 C357 Y363 A364 L365 S385 F386 L389 | R342-W361 PolarHBondContact O-NE1 3.12Å; A346-W361 HydrophobicContact CB-CZ2 4.14Å; C357-W361 WeakPolarHBondContact O-CB 3.47Å; C357-W361 PolarHBondContact O-N 3.35Å; W361-Y363 VanDerWaalsContact C-N 3.33Å; W361-A364 PolarHBondContact O-N 3.34Å; W361-L365 VanDerWaalsContact O-CB 3.3Å; W361-L365 WeakPolarHBondContact O-CB 3.45Å; W361-L365 PolarHBondContact O-N 3.31Å; W361-S385 WeakPolarHBondContact CZ3-O 3.48Å; W361-F386 VanDerWaalsContact C-CZ 3.48Å; W361-F386 HydrophobicContact CB-CE1 3.79Å; W361-F386 HydrophobicContact CB-CE2 3.72Å; W361-F386 HydrophobicContact CB-CZ 3.22Å; W361-F386 AromaticContact CE3-CD1 4Å; W361-F386 HydrophobicContact CE3-CD1 4Å; W361-F386 HydrophobicContact CE3-CD2 4.47Å; W361-F386 HydrophobicContact CE3-CE1 4.06Å; W361-F386 HydrophobicContact CE3-CG 4.22Å; W361-F386 HydrophobicContact CE3-CZ 4.34Å; W361-F386 HydrophobicContact CG-CZ 4.37Å; W361-L389 HydrophobicContact CE3-CD2 4.07Å; W361-L389 HydrophobicContact CH2-CB 4.33Å; W361-L389 HydrophobicContact CH2-CD2 4.26Å; W361-L389 HydrophobicContact CZ3-CB 3.82Å; W361-L389 HydrophobicContact CZ3-CD2 3.68Å; W361-L389 HydrophobicContact CZ3-CG 4.29Å |
| 362 | K | 98 | Very high | 95.8 | Very high | 43 Ų | 43 | 33.3 Ų | 33.3 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.4 | -43.8 | 176.9 | -83.3 | 176.6 | 174.9 | 173.3 | 0 | 109.5 | I358 N359 L360 L365 D366 F386 D410 I414 | I358-K362 HydrophobicContact CG2-CD 3.78Å; I358-K362 HydrophobicContact CG2-CG 4.27Å; I358-K362 VanDerWaalsContact O-CB 3.26Å; I358-K362 WeakPolarHBondContact O-CB 3.48Å; I358-K362 VanDerWaalsContact O-CG 3.26Å; I358-K362 WeakPolarHBondContact O-CG 3.29Å; I358-K362 PolarHBondContact O-N 3.48Å; N359-K362 PolarHBondContact O-N 2.88Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 3.5Å; K362-L365 PolarHBondContact O-N 3.19Å; K362-D366 PolarHBondContact O-N 2.89Å; K362-F386 HydrophobicContact CB-CZ 4.46Å; K362-F386 HydrophobicContact CG-CE1 4.27Å; K362-F386 HydrophobicContact CG-CZ 3.83Å; K362-D410 IonicContact NZ-OD1 3.86Å; K362-D410 PolarHBondContact NZ-OD1 3.36Å; K362-D410 VanDerWaalsContact NZ-OD1 3.09Å; K362-I414 HydrophobicContact CG-CD1 3.91Å |
| 363 | Y | 97.9 | Very high | 95.9 | Very high | 49 Ų | 49 | 37.4 Ų | 37.4 | 19% | 0.192 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63 | -45 | 175.8 | -174.9 | -115.6 | 0 | 0 | 0 | 112.9 | I293 A295 Y296 E327 I341 N359 L360 W361 L365 D366 M367 | I293-Y363 HydrophobicContact CD1-CE2 4.26Å; I293-Y363 HydrophobicContact CG2-CD1 4.18Å; I293-Y363 HydrophobicContact CG2-CD2 3.98Å; I293-Y363 HydrophobicContact CG2-CE1 3.93Å; I293-Y363 HydrophobicContact CG2-CE2 3.71Å; I293-Y363 HydrophobicContact CG2-CG 4.2Å; A295-Y363 HydrophobicContact CB-CD1 4.29Å; A295-Y363 HydrophobicContact CB-CG 3.94Å; Y296-Y363 HydrophobicContact CE1-CD1 4.24Å; Y296-Y363 HydrophobicContact CE1-CE1 4.34Å; Y296-Y363 AromaticContact CE2-CE1 3.97Å; Y296-Y363 HydrophobicContact CE2-CE1 3.97Å; Y296-Y363 AromaticContact CZ-CD1 3.99Å; Y296-Y363 AromaticContact CZ-CE1 3.65Å; Y296-Y363 WeakPolarHBondContact OH-CE1 3.38Å; E327-Y363 PolarHBondContact OE1-OH 3.48Å; E327-Y363 PolarHBondContact OE2-OH 3.42Å; I341-Y363 HydrophobicContact CD1-CD1 4.17Å; I341-Y363 HydrophobicContact CD1-CE1 4.24Å; N359-Y363 PolarHBondContact O-N 3.49Å; N359-Y363 VanDerWaalsContact O-N 3.07Å; L360-Y363 PolarHBondContact O-N 2.93Å; W361-Y363 VanDerWaalsContact C-N 3.33Å; Y363-L365 VanDerWaalsContact C-N 3.31Å; Y363-L365 PolarHBondContact O-N 3.06Å; Y363-D366 PolarHBondContact O-N 3.19Å; Y363-M367 HydrophobicContact CE1-CE 3.78Å; Y363-M367 WeakPolarHBondContact O-CB 3.41Å; Y363-M367 PolarHBondContact O-N 3.02Å |
| 364 | A | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.9 | -38.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I341 R342 L360 W361 M367 Q368 | I341-A364 HydrophobicContact CB-CB 4.11Å; I341-A364 HydrophobicContact CG2-CB 3.81Å; R342-A364 HydrophobicContact CG-CB 3.7Å; L360-A364 PolarHBondContact O-N 3.3Å; W361-A364 PolarHBondContact O-N 3.34Å; A364-M367 WeakPolarHBondContact O-CB 3.22Å; A364-M367 PolarHBondContact O-N 3.41Å; A364-Q368 WeakPolarHBondContact O-CB 3.19Å; A364-Q368 WeakPolarHBondContact O-CG 3.14Å; A364-Q368 PolarHBondContact O-N 3.1Å |
| 365 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 176.1 | 177.7 | 61.8 | 0 | 0 | 0 | 111.3 | W361 K362 Y363 M367 Q368 Q369 T379 L383 F386 I414 K417 | W361-L365 VanDerWaalsContact O-CB 3.3Å; W361-L365 WeakPolarHBondContact O-CB 3.45Å; W361-L365 PolarHBondContact O-N 3.31Å; K362-L365 PolarHBondContact O-N 3.19Å; Y363-L365 VanDerWaalsContact C-N 3.31Å; Y363-L365 PolarHBondContact O-N 3.06Å; L365-M367 VanDerWaalsContact C-N 3.32Å; L365-M367 PolarHBondContact O-N 3.37Å; L365-Q368 PolarHBondContact O-N 3.03Å; L365-Q369 HydrophobicContact CD1-CG 4.09Å; L365-Q369 HydrophobicContact CG-CG 4.47Å; L365-Q369 WeakPolarHBondContact O-CG 3.34Å; L365-Q369 PolarHBondContact O-N 3.03Å; L365-T379 HydrophobicContact CD1-CG2 3.82Å; L365-L383 HydrophobicContact CD1-CD2 3.89Å; L365-L383 HydrophobicContact CD1-CG 4.13Å; L365-L383 HydrophobicContact CD2-CD2 3.58Å; L365-L383 HydrophobicContact CG-CD2 4.39Å; L365-F386 HydrophobicContact CB-CE2 4.38Å; L365-F386 HydrophobicContact CD2-CD2 4.37Å; L365-F386 HydrophobicContact CD2-CE2 3.97Å; L365-I414 HydrophobicContact CD2-CD1 4.24Å; L365-K417 HydrophobicContact CD2-CB 4.06Å; L365-K417 HydrophobicContact CD2-CD 3.53Å; L365-K417 HydrophobicContact CD2-CG 4.44Å; L365-K417 HydrophobicContact CG-CD 4.15Å |
| 366 | D | 97.5 | Very high | 96 | Very high | 61 Ų | 61 | 30.8 Ų | 30.8 | 33% | 0.326 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 175.7 | -75.5 | -28.8 | 0 | 0 | 0 | 112 | K362 Y363 Q369 S370 K417 | K362-D366 PolarHBondContact O-N 2.89Å; Y363-D366 PolarHBondContact O-N 3.19Å; D366-Q369 PolarHBondContact O-N 3.44Å; D366-S370 WeakPolarHBondContact O-CB 3.37Å; D366-S370 PolarHBondContact O-N 3.17Å; D366-S370 PolarHBondContact O-OG 3.36Å; D366-K417 VanDerWaalsContact CG-NZ 3.32Å; D366-K417 WeakPolarHBondContact OD1-CE 3.28Å; D366-K417 IonicContact OD1-NZ 2.85Å; D366-K417 PolarHBondContact OD1-NZ 3.15Å; D366-K417 IonicContact OD2-NZ 3.34Å; D366-K417 PolarHBondContact OD2-NZ 2.88Å |
| 367 | M | 96.8 | Very high | 96.1 | Very high | 10 Ų | 10 | 32.7 Ų | 32.7 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.4 | -47.2 | 173.3 | -175.4 | -176.6 | -72.8 | 0 | 0 | 111.4 | E327 P332 T337 I341 Y363 A364 L365 S370 N371 | E327-M367 HydrophobicContact CG-CE 4.11Å; P332-M367 HydrophobicContact CB-CE 4.13Å; P332-M367 HydrophobicContact CB-CG 3.55Å; P332-M367 HydrophobicContact CB-SD 3.93Å; P332-M367 VanDerWaalsContact O-CG 3.25Å; P332-M367 WeakPolarHBondContact O-CG 3.24Å; T337-M367 HydrophobicContact CG2-CE 3.94Å; T337-M367 HydrophobicContact CG2-SD 3.66Å; I341-M367 HydrophobicContact CD1-CE 3.75Å; I341-M367 HydrophobicContact CD1-SD 4.12Å; Y363-M367 HydrophobicContact CE1-CE 3.78Å; Y363-M367 WeakPolarHBondContact O-CB 3.41Å; Y363-M367 PolarHBondContact O-N 3.02Å; A364-M367 WeakPolarHBondContact O-CB 3.22Å; A364-M367 PolarHBondContact O-N 3.41Å; L365-M367 VanDerWaalsContact C-N 3.32Å; L365-M367 PolarHBondContact O-N 3.37Å; M367-S370 PolarHBondContact O-N 3.24Å; M367-N371 WeakPolarHBondContact O-CB 3.32Å; M367-N371 PolarHBondContact O-N 3.07Å; M367-N371 VanDerWaalsContact O-N 3.13Å; M367-N371 PolarHBondContact O-ND2 3.2Å |
| 368 | Q | 97.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.3 | -47.4 | 177.8 | -74.3 | 170.5 | -8.9 | 0 | 0 | 112.3 | S338 A364 L365 S370 N371 L372 S382 | S338-Q368 PolarHBondContact OG-NE2 3.14Å; S338-Q368 VanDerWaalsContact OG-NE2 3.09Å; A364-Q368 WeakPolarHBondContact O-CB 3.19Å; A364-Q368 WeakPolarHBondContact O-CG 3.14Å; A364-Q368 PolarHBondContact O-N 3.1Å; L365-Q368 PolarHBondContact O-N 3.03Å; Q368-S370 PolarHBondContact O-N 3.21Å; Q368-N371 PolarHBondContact O-N 3.15Å; Q368-L372 HydrophobicContact CB-CD1 3.91Å; Q368-L372 HydrophobicContact CB-CG 4.48Å; Q368-L372 HydrophobicContact CG-CD1 3.86Å; Q368-L372 VanDerWaalsContact O-CB 3.27Å; Q368-L372 WeakPolarHBondContact O-CB 3.27Å; Q368-L372 WeakPolarHBondContact O-CG 3.48Å; Q368-L372 PolarHBondContact O-N 3.15Å; Q368-S382 PolarHBondContact NE2-OG 3.47Å; Q368-S382 PolarHBondContact OE1-OG 3.26Å |
| 369 | Q | 96.4 | Very high | 95.9 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 6% | 0.061 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.1 | -23.6 | 179.1 | -67.8 | -168.2 | -68.6 | 0 | 0 | 112.8 | L365 D366 T379 K417 E421 R424 | L365-Q369 HydrophobicContact CD1-CG 4.09Å; L365-Q369 HydrophobicContact CG-CG 4.47Å; L365-Q369 WeakPolarHBondContact O-CG 3.34Å; L365-Q369 PolarHBondContact O-N 3.03Å; D366-Q369 PolarHBondContact O-N 3.44Å; Q369-T379 HydrophobicContact CG-CG2 4Å; Q369-K417 PolarHBondContact NE2-O 3.46Å; Q369-E421 PolarHBondContact NE2-OE2 3.4Å; Q369-R424 PolarHBondContact O-NE 3.31Å; Q369-R424 PolarHBondContact O-NH1 3.17Å; Q369-R424 PolarHBondContact O-NH2 3.37Å |
| 370 | S | 95.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 34 Ų | 34 | 67% | 0.671 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -85 | -25.5 | 177.6 | -56.6 | 0 | 0 | 0 | 0 | 113.4 | D366 M367 Q368 | D366-S370 WeakPolarHBondContact O-CB 3.37Å; D366-S370 PolarHBondContact O-N 3.17Å; D366-S370 PolarHBondContact O-OG 3.36Å; M367-S370 PolarHBondContact O-N 3.24Å; Q368-S370 PolarHBondContact O-N 3.21Å |
| 371 | N | 94.5 | Very high | 95.8 | Very high | 71 Ų | 71 | 36.2 Ų | 36.2 | 38% | 0.38 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -119.8 | -17.5 | -169.1 | -66.9 | -88.4 | 0 | 0 | 0 | 114.9 | M367 Q368 | M367-N371 WeakPolarHBondContact O-CB 3.32Å; M367-N371 PolarHBondContact O-N 3.07Å; M367-N371 VanDerWaalsContact O-N 3.13Å; M367-N371 PolarHBondContact O-ND2 3.2Å; Q368-N371 PolarHBondContact O-N 3.15Å |
| 372 | L | 92.4 | Very high | 95.8 | Very high | 31 Ų | 31 | 35.2 Ų | 35.2 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -106.2 | 154.4 | -179.1 | -55.2 | 179.5 | 0 | 0 | 0 | 111.2 | Q368 M378 R424 | Q368-L372 HydrophobicContact CB-CD1 3.91Å; Q368-L372 HydrophobicContact CB-CG 4.48Å; Q368-L372 HydrophobicContact CG-CD1 3.86Å; Q368-L372 VanDerWaalsContact O-CB 3.27Å; Q368-L372 WeakPolarHBondContact O-CB 3.27Å; Q368-L372 WeakPolarHBondContact O-CG 3.48Å; Q368-L372 PolarHBondContact O-N 3.15Å; L372-M378 HydrophobicContact CD1-CB 3.94Å; L372-M378 HydrophobicContact CD1-CE 3.7Å; L372-M378 HydrophobicContact CD1-SD 4.29Å; L372-M378 HydrophobicContact CD2-CE 3.92Å; L372-M378 HydrophobicContact CG-CE 4.47Å; L372-R424 PolarHBondContact O-NH2 3.27Å |
| 373 | D | 92.1 | Very high | 95.8 | Very high | 117 Ų | 117 | 33.3 Ų | 33.3 | 63% | 0.626 | 19% | 0.192 | S | C | * | . | trans | -56.4 | 148.7 | 171.8 | -68.7 | -41.7 | 0 | 0 | 0 | 111.7 | S376 | D373-S376 VanDerWaalsContact O-CB 3.32Å; D373-S376 WeakPolarHBondContact O-CB 3.46Å; D373-S376 PolarHBondContact O-N 3.06Å | ||
| 374 | P | 94.1 | Very high | 95.8 | Very high | 25 Ų | 25 | 31.6 Ų | 31.6 | 16% | 0.162 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 142.9 | 173.8 | -22.4 | 33.1 | 0 | 0 | 0 | 111.9 | S376 E421 R424 A425 | P374-S376 PolarHBondContact O-N 3.02Å; P374-E421 WeakPolarHBondContact CA-OE1 3.21Å; P374-R424 HydrophobicContact CB-CB 3.98Å; P374-R424 HydrophobicContact CG-CB 3.88Å; P374-A425 HydrophobicContact CB-CB 3.9Å |
| 375 | L | 94 | Very high | 95.8 | Very high | 11 Ų | 11 | 32.6 Ų | 32.6 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 23.4 | -178.7 | -52.5 | 171.4 | 0 | 0 | 0 | 113.9 | E421 I422 A425 A433 Q437 L438 A441 | L375-E421 HydrophobicContact CD2-CG 4.06Å; L375-E421 PolarHBondContact N-OE1 3.35Å; L375-I422 HydrophobicContact CD2-CD1 4.21Å; L375-A425 HydrophobicContact CD1-CB 3.55Å; L375-A425 HydrophobicContact CD2-CB 4.37Å; L375-A425 HydrophobicContact CG-CB 3.7Å; L375-A433 HydrophobicContact CD1-CB 3.64Å; L375-Q437 HydrophobicContact CB-CB 4.01Å; L375-L438 HydrophobicContact CD1-CB 3.95Å; L375-L438 HydrophobicContact CD1-CD1 4.1Å; L375-L438 HydrophobicContact CD2-CD1 4.48Å; L375-A441 HydrophobicContact CD2-CB 3.66Å |
| 376 | S | 93.6 | Very high | 95.7 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | trans | -52.9 | 136.4 | 171.8 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | D373 P374 M378 T379 A380 | D373-S376 VanDerWaalsContact O-CB 3.32Å; D373-S376 WeakPolarHBondContact O-CB 3.46Å; D373-S376 PolarHBondContact O-N 3.06Å; P374-S376 PolarHBondContact O-N 3.02Å; S376-M378 PolarHBondContact O-N 3.43Å; S376-M378 VanDerWaalsContact O-N 3.08Å; S376-M378 PolarHBondContact OG-N 3Å; S376-T379 PolarHBondContact O-N 3.24Å; S376-A380 PolarHBondContact O-N 2.96Å | ||
| 377 | P | 94.1 | Very high | 95.8 | Very high | 80 Ų | 80 | 29.8 Ų | 29.8 | 52% | 0.519 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -54.4 | -30 | 176.2 | -27.9 | 34.9 | 0 | 0 | 0 | 113.7 | S381 | P377-S381 WeakPolarHBondContact O-CB 3.45Å; P377-S381 PolarHBondContact O-N 3.01Å |
| 378 | M | 94.3 | Very high | 95.7 | Very high | 60 Ų | 60 | 31 Ų | 31 | 30% | 0.296 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.7 | -47.2 | 175.7 | -70.4 | -175.7 | -85.3 | 0 | 0 | 111.6 | P335 L372 S376 S381 S382 | P335-M378 HydrophobicContact CB-SD 3.94Å; P335-M378 HydrophobicContact CG-CE 4.34Å; P335-M378 HydrophobicContact CG-SD 4.26Å; L372-M378 HydrophobicContact CD1-CB 3.94Å; L372-M378 HydrophobicContact CD1-CE 3.7Å; L372-M378 HydrophobicContact CD1-SD 4.29Å; L372-M378 HydrophobicContact CD2-CE 3.92Å; L372-M378 HydrophobicContact CG-CE 4.47Å; S376-M378 PolarHBondContact O-N 3.43Å; S376-M378 VanDerWaalsContact O-N 3.08Å; S376-M378 PolarHBondContact OG-N 3Å; M378-S381 WeakPolarHBondContact O-CB 3.35Å; M378-S381 PolarHBondContact O-N 3.18Å; M378-S382 PolarHBondContact O-N 2.93Å; M378-S382 PolarHBondContact O-OG 3.39Å |
| 379 | T | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 175.5 | -51.6 | 0 | 0 | 0 | 0 | 110.8 | L365 Q369 S376 S381 S382 L383 E421 | L365-T379 HydrophobicContact CD1-CG2 3.82Å; Q369-T379 HydrophobicContact CG-CG2 4Å; S376-T379 PolarHBondContact O-N 3.24Å; T379-S381 VanDerWaalsContact C-N 3.31Å; T379-S381 PolarHBondContact O-N 3Å; T379-S382 WeakPolarHBondContact O-CB 3.39Å; T379-S382 PolarHBondContact O-N 3.26Å; T379-S382 VanDerWaalsContact O-N 3.14Å; T379-L383 HydrophobicContact CG2-CD1 4.34Å; T379-L383 WeakPolarHBondContact O-CG 3.46Å; T379-L383 PolarHBondContact O-N 2.82Å; T379-E421 HydrophobicContact CG2-CG 4.34Å |
| 380 | A | 96.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S376 L384 K440 I444 | S376-A380 PolarHBondContact O-N 2.96Å; A380-L384 WeakPolarHBondContact O-CB 3.39Å; A380-L384 PolarHBondContact O-N 3.13Å; A380-K440 HydrophobicContact CB-CD 4.39Å; A380-I444 WeakPolarHBondContact O-CD1 3.41Å |
| 381 | S | 96.1 | Very high | 95.5 | Very high | 45 Ų | 45 | 26.4 Ų | 26.4 | 32% | 0.315 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 173.3 | 174.9 | 0 | 0 | 0 | 0 | 112 | R342 P377 M378 T379 L384 S385 | R342-S381 PolarHBondContact NH1-OG 2.86Å; P377-S381 WeakPolarHBondContact O-CB 3.45Å; P377-S381 PolarHBondContact O-N 3.01Å; M378-S381 WeakPolarHBondContact O-CB 3.35Å; M378-S381 PolarHBondContact O-N 3.18Å; T379-S381 VanDerWaalsContact C-N 3.31Å; T379-S381 PolarHBondContact O-N 3Å; S381-L384 PolarHBondContact O-N 3.32Å; S381-S385 PolarHBondContact O-N 3.08Å; S381-S385 PolarHBondContact O-OG 2.97Å; S381-S385 VanDerWaalsContact O-OG 3.11Å |
| 382 | S | 97.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.3 | -47.1 | 178.1 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | R342 Q368 M378 T379 L384 S385 F386 | R342-S382 VanDerWaalsContact CD-OG 3.31Å; R342-S382 WeakPolarHBondContact CD-OG 3.47Å; R342-S382 PolarHBondContact NE-OG 2.88Å; Q368-S382 PolarHBondContact NE2-OG 3.47Å; Q368-S382 PolarHBondContact OE1-OG 3.26Å; M378-S382 PolarHBondContact O-N 2.93Å; M378-S382 PolarHBondContact O-OG 3.39Å; T379-S382 WeakPolarHBondContact O-CB 3.39Å; T379-S382 PolarHBondContact O-N 3.26Å; T379-S382 VanDerWaalsContact O-N 3.14Å; S382-L384 VanDerWaalsContact C-N 3.34Å; S382-L384 PolarHBondContact O-N 3.17Å; S382-S385 PolarHBondContact O-N 3.04Å; S382-F386 VanDerWaalsContact O-CD2 3.3Å; S382-F386 WeakPolarHBondContact O-CD2 3.48Å; S382-F386 PolarHBondContact O-N 2.63Å; S382-F386 VanDerWaalsContact O-N 3.12Å |
| 383 | L | 98.2 | Very high | 95.5 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 177.7 | -67.2 | 175.3 | 0 | 0 | 0 | 112.1 | L365 T379 F386 A387 I414 S418 I444 | L365-L383 HydrophobicContact CD1-CD2 3.89Å; L365-L383 HydrophobicContact CD1-CG 4.13Å; L365-L383 HydrophobicContact CD2-CD2 3.58Å; L365-L383 HydrophobicContact CG-CD2 4.39Å; T379-L383 HydrophobicContact CG2-CD1 4.34Å; T379-L383 WeakPolarHBondContact O-CG 3.46Å; T379-L383 PolarHBondContact O-N 2.82Å; L383-F386 WeakPolarHBondContact O-CB 3.47Å; L383-F386 PolarHBondContact O-N 3.21Å; L383-A387 PolarHBondContact O-N 2.95Å; L383-I414 HydrophobicContact CD2-CG2 4.08Å; L383-S418 WeakPolarHBondContact CD2-OG 3.42Å; L383-I444 HydrophobicContact CB-CD1 4.38Å; L383-I444 HydrophobicContact CB-CG2 3.99Å |
| 384 | L | 97.8 | Very high | 95.4 | Very high | 13 Ų | 13 | 21.9 Ų | 21.9 | 7% | 0.068 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 174.8 | 174.5 | 59 | 0 | 0 | 0 | 111.7 | A380 S381 S382 F386 A387 E388 I444 V497 | A380-L384 WeakPolarHBondContact O-CB 3.39Å; A380-L384 PolarHBondContact O-N 3.13Å; S381-L384 PolarHBondContact O-N 3.32Å; S382-L384 VanDerWaalsContact C-N 3.34Å; S382-L384 PolarHBondContact O-N 3.17Å; L384-F386 PolarHBondContact O-N 3.33Å; L384-A387 WeakPolarHBondContact O-CB 3.46Å; L384-A387 PolarHBondContact O-N 3.46Å; L384-E388 HydrophobicContact CD1-CG 4.12Å; L384-E388 HydrophobicContact CG-CG 4.38Å; L384-E388 WeakPolarHBondContact O-CG 3.3Å; L384-E388 PolarHBondContact O-N 3.27Å; L384-I444 HydrophobicContact CB-CD1 3.87Å; L384-I444 HydrophobicContact CB-CG1 4.2Å; L384-I444 HydrophobicContact CD1-CG1 4.44Å; L384-V497 HydrophobicContact CD1-CB 4.47Å; L384-V497 HydrophobicContact CD1-CG1 3.67Å; L384-V497 HydrophobicContact CD1-CG2 4.2Å; L384-V497 WeakPolarHBondContact CD2-O 3.4Å |
| 385 | S | 97.3 | Very high | 95.1 | Very high | 20 Ų | 20 | 25.1 Ų | 25.1 | 14% | 0.14 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.2 | -36.3 | 178 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | R342 W361 S381 S382 E388 L389 | R342-S385 PolarHBondContact NH2-OG 3.14Å; W361-S385 WeakPolarHBondContact CZ3-O 3.48Å; S381-S385 PolarHBondContact O-N 3.08Å; S381-S385 PolarHBondContact O-OG 2.97Å; S381-S385 VanDerWaalsContact O-OG 3.11Å; S382-S385 PolarHBondContact O-N 3.04Å; S385-E388 PolarHBondContact O-N 3.46Å; S385-L389 WeakPolarHBondContact O-CB 3.42Å; S385-L389 PolarHBondContact O-N 2.97Å |
| 386 | F | 98 | Very high | 94.3 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 171.3 | -85.6 | -69.6 | 0 | 0 | 0 | 112.5 | I358 W361 K362 L365 S382 L383 L384 E388 L389 F390 I414 | I358-F386 HydrophobicContact CG2-CE1 4.42Å; W361-F386 VanDerWaalsContact C-CZ 3.48Å; W361-F386 HydrophobicContact CB-CE1 3.79Å; W361-F386 HydrophobicContact CB-CE2 3.72Å; W361-F386 HydrophobicContact CB-CZ 3.22Å; W361-F386 AromaticContact CE3-CD1 4Å; W361-F386 HydrophobicContact CE3-CD1 4Å; W361-F386 HydrophobicContact CE3-CD2 4.47Å; W361-F386 HydrophobicContact CE3-CE1 4.06Å; W361-F386 HydrophobicContact CE3-CG 4.22Å; W361-F386 HydrophobicContact CE3-CZ 4.34Å; W361-F386 HydrophobicContact CG-CZ 4.37Å; K362-F386 HydrophobicContact CB-CZ 4.46Å; K362-F386 HydrophobicContact CG-CE1 4.27Å; K362-F386 HydrophobicContact CG-CZ 3.83Å; L365-F386 HydrophobicContact CB-CE2 4.38Å; L365-F386 HydrophobicContact CD2-CD2 4.37Å; L365-F386 HydrophobicContact CD2-CE2 3.97Å; S382-F386 VanDerWaalsContact O-CD2 3.3Å; S382-F386 WeakPolarHBondContact O-CD2 3.48Å; S382-F386 PolarHBondContact O-N 2.63Å; S382-F386 VanDerWaalsContact O-N 3.12Å; L383-F386 WeakPolarHBondContact O-CB 3.47Å; L383-F386 PolarHBondContact O-N 3.21Å; L384-F386 PolarHBondContact O-N 3.33Å; F386-E388 VanDerWaalsContact C-N 3.32Å; F386-E388 PolarHBondContact O-N 2.91Å; F386-L389 PolarHBondContact O-N 3.41Å; F386-F390 HydrophobicContact CB-CD2 4.43Å; F386-F390 HydrophobicContact CB-CE2 4.05Å; F386-F390 HydrophobicContact CD1-CE1 4.25Å; F386-F390 HydrophobicContact CD1-CE2 4.04Å; F386-F390 AromaticContact CD1-CZ 3.67Å; F386-F390 HydrophobicContact CD1-CZ 3.67Å; F386-F390 HydrophobicContact CE1-CZ 4.34Å; F386-F390 HydrophobicContact CG-CE2 4.46Å; F386-F390 WeakPolarHBondContact O-CB 3.41Å; F386-F390 WeakPolarHBondContact O-CD2 3.16Å; F386-F390 WeakPolarHBondContact O-CG 3.42Å; F386-F390 PolarHBondContact O-N 3.47Å; F386-I414 HydrophobicContact CB-CG1 4.27Å; F386-I414 HydrophobicContact CB-CG2 3.85Å; F386-I414 HydrophobicContact CD1-CD1 3.91Å; F386-I414 HydrophobicContact CD1-CG1 3.82Å; F386-I414 HydrophobicContact CD2-CD1 3.86Å; F386-I414 HydrophobicContact CD2-CG1 4.26Å; F386-I414 HydrophobicContact CD2-CG2 4.24Å; F386-I414 HydrophobicContact CE1-CD1 3.75Å; F386-I414 HydrophobicContact CE1-CG1 4.11Å; F386-I414 HydrophobicContact CE2-CD1 3.7Å; F386-I414 HydrophobicContact CG-CD1 3.94Å; F386-I414 HydrophobicContact CG-CG1 3.88Å; F386-I414 HydrophobicContact CG-CG2 4.1Å; F386-I414 HydrophobicContact CZ-CD1 3.61Å; F386-I414 HydrophobicContact CZ-CG1 4.43Å |
| 387 | A | 97.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L383 L384 S391 L448 L451 V502 | L383-A387 PolarHBondContact O-N 2.95Å; L384-A387 WeakPolarHBondContact O-CB 3.46Å; L384-A387 PolarHBondContact O-N 3.46Å; A387-S391 WeakPolarHBondContact O-CB 3.15Å; A387-S391 PolarHBondContact O-N 2.95Å; A387-L448 HydrophobicContact CB-CD2 3.93Å; A387-L448 HydrophobicContact CB-CG 4.39Å; A387-L451 HydrophobicContact CB-CD1 4.46Å; A387-L451 WeakPolarHBondContact O-CD1 3.47Å; A387-V502 HydrophobicContact CB-CG1 4.06Å; A387-V502 HydrophobicContact CB-CG2 4.44Å |
| 388 | E | 96.2 | Very high | 92 | Very high | 35 Ų | 35 | 31 Ų | 31 | 16% | 0.164 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -47.9 | 173.9 | -69.2 | 176.9 | 152.1 | 0 | 0 | 111.6 | L384 S385 F386 F390 S391 F392 Y500 V502 | L384-E388 HydrophobicContact CD1-CG 4.12Å; L384-E388 HydrophobicContact CG-CG 4.38Å; L384-E388 WeakPolarHBondContact O-CG 3.3Å; L384-E388 PolarHBondContact O-N 3.27Å; S385-E388 PolarHBondContact O-N 3.46Å; F386-E388 VanDerWaalsContact C-N 3.32Å; F386-E388 PolarHBondContact O-N 2.91Å; E388-F390 PolarHBondContact O-N 2.85Å; E388-S391 PolarHBondContact O-N 3.46Å; E388-F392 WeakPolarHBondContact O-CB 3.43Å; E388-F392 PolarHBondContact O-N 3.38Å; E388-Y500 PolarHBondContact OE1-N 2.9Å; E388-V502 HydrophobicContact CB-CG2 4.47Å; E388-V502 HydrophobicContact CG-CG2 3.77Å |
| 389 | L | 95.1 | Very high | 91.2 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 7% | 0.073 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 177.7 | -176.4 | 67.2 | 0 | 0 | 0 | 111.8 | A349 F354 I358 W361 S385 F386 S391 F392 M393 | A349-L389 HydrophobicContact CB-CD1 4.13Å; F354-L389 HydrophobicContact CD1-CD1 3.86Å; F354-L389 HydrophobicContact CE1-CD1 4.03Å; I358-L389 HydrophobicContact CG1-CD2 4.13Å; W361-L389 HydrophobicContact CE3-CD2 4.07Å; W361-L389 HydrophobicContact CH2-CB 4.33Å; W361-L389 HydrophobicContact CH2-CD2 4.26Å; W361-L389 HydrophobicContact CZ3-CB 3.82Å; W361-L389 HydrophobicContact CZ3-CD2 3.68Å; W361-L389 HydrophobicContact CZ3-CG 4.29Å; S385-L389 WeakPolarHBondContact O-CB 3.42Å; S385-L389 PolarHBondContact O-N 2.97Å; F386-L389 PolarHBondContact O-N 3.41Å; L389-S391 PolarHBondContact O-N 3.29Å; L389-F392 WeakPolarHBondContact O-CB 3.25Å; L389-F392 PolarHBondContact O-N 2.91Å; L389-M393 HydrophobicContact CG-SD 4.1Å; L389-M393 VanDerWaalsContact O-CG 3.29Å; L389-M393 WeakPolarHBondContact O-CG 3.3Å; L389-M393 PolarHBondContact O-N 2.88Å |
| 390 | F | 95.8 | Very high | 90 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67 | -37.4 | -179.7 | -62.9 | -30.7 | 0 | 0 | 0 | 112.3 | I358 F386 E388 M393 L394 V406 D410 L411 I414 L448 L451 | I358-F390 HydrophobicContact CD1-CE1 3.94Å; I358-F390 HydrophobicContact CG1-CE1 4.15Å; F386-F390 HydrophobicContact CB-CD2 4.43Å; F386-F390 HydrophobicContact CB-CE2 4.05Å; F386-F390 HydrophobicContact CD1-CE1 4.25Å; F386-F390 HydrophobicContact CD1-CE2 4.04Å; F386-F390 AromaticContact CD1-CZ 3.67Å; F386-F390 HydrophobicContact CD1-CZ 3.67Å; F386-F390 HydrophobicContact CE1-CZ 4.34Å; F386-F390 HydrophobicContact CG-CE2 4.46Å; F386-F390 WeakPolarHBondContact O-CB 3.41Å; F386-F390 WeakPolarHBondContact O-CD2 3.16Å; F386-F390 WeakPolarHBondContact O-CG 3.42Å; F386-F390 PolarHBondContact O-N 3.47Å; E388-F390 PolarHBondContact O-N 2.85Å; F390-M393 HydrophobicContact CD1-SD 4.35Å; F390-M393 PolarHBondContact O-N 3.02Å; F390-L394 WeakPolarHBondContact O-CG 3.26Å; F390-L394 PolarHBondContact O-N 3.36Å; F390-V406 HydrophobicContact CB-CG2 4.35Å; F390-V406 HydrophobicContact CD1-CB 4.34Å; F390-V406 HydrophobicContact CD1-CG2 3.52Å; F390-V406 HydrophobicContact CE1-CG2 3.93Å; F390-V406 HydrophobicContact CG-CG2 3.99Å; F390-D410 HydrophobicContact CE1-CB 4.28Å; F390-D410 HydrophobicContact CZ-CB 4.23Å; F390-L411 HydrophobicContact CB-CD2 3.88Å; F390-L411 HydrophobicContact CB-CG 4.45Å; F390-L411 HydrophobicContact CD2-CD2 3.34Å; F390-L411 HydrophobicContact CD2-CG 3.92Å; F390-L411 HydrophobicContact CE2-CD2 4.04Å; F390-L411 HydrophobicContact CE2-CG 4.32Å; F390-L411 HydrophobicContact CG-CD2 3.85Å; F390-L411 HydrophobicContact CG-CG 4.22Å; F390-I414 HydrophobicContact CE2-CB 4.06Å; F390-I414 HydrophobicContact CE2-CG1 3.64Å; F390-I414 HydrophobicContact CZ-CG1 3.8Å; F390-L448 HydrophobicContact CD2-CD2 4.26Å; F390-L451 HydrophobicContact CB-CD1 4.01Å |
| 391 | S | 94.5 | Very high | 88.8 | Confident | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 172.5 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | A387 E388 L389 M393 L394 Q395 V502 | A387-S391 WeakPolarHBondContact O-CB 3.15Å; A387-S391 PolarHBondContact O-N 2.95Å; E388-S391 PolarHBondContact O-N 3.46Å; L389-S391 PolarHBondContact O-N 3.29Å; S391-M393 PolarHBondContact O-N 3.29Å; S391-L394 PolarHBondContact O-N 3.12Å; S391-Q395 WeakPolarHBondContact O-CG 3.36Å; S391-Q395 PolarHBondContact O-N 3.26Å; S391-Q395 PolarHBondContact OG-NE2 3.07Å; S391-V502 PolarHBondContact OG-O 3.49Å; S391-V502 VanDerWaalsContact OG-O 3.05Å |
| 392 | F | 92.7 | Very high | 87.4 | Confident | 98 Ų | 98 | 43.1 Ų | 43.1 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.9 | -49.8 | 175.9 | 175.4 | -99.1 | 0 | 0 | 0 | 111.8 | F354 E388 L389 L394 Q395 D396 | F354-F392 HydrophobicContact CE1-CD1 4.28Å; F354-F392 HydrophobicContact CE1-CE1 4.16Å; F354-F392 HydrophobicContact CZ-CD1 4.5Å; F354-F392 HydrophobicContact CZ-CE1 4Å; E388-F392 WeakPolarHBondContact O-CB 3.43Å; E388-F392 PolarHBondContact O-N 3.38Å; L389-F392 WeakPolarHBondContact O-CB 3.25Å; L389-F392 PolarHBondContact O-N 2.91Å; F392-L394 VanDerWaalsContact C-N 3.31Å; F392-L394 PolarHBondContact O-N 3.44Å; F392-Q395 PolarHBondContact O-N 3.41Å; F392-D396 VanDerWaalsContact CZ-OD2 3.24Å; F392-D396 WeakPolarHBondContact CZ-OD2 3.45Å; F392-D396 PolarHBondContact O-N 2.87Å; F392-D396 VanDerWaalsContact O-N 3.1Å |
| 393 | M | 92.4 | Very high | 85.9 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.1 | -37.1 | 178.7 | -69.4 | 174.2 | 73.7 | 0 | 0 | 112.9 | F354 I358 L389 F390 S391 R397 V406 | F354-M393 HydrophobicContact CB-CE 3.69Å; F354-M393 HydrophobicContact CB-SD 4.02Å; F354-M393 HydrophobicContact CD1-CE 4.4Å; F354-M393 HydrophobicContact CD1-CG 3.93Å; F354-M393 HydrophobicContact CD1-SD 3.9Å; F354-M393 HydrophobicContact CD2-CE 4.43Å; F354-M393 HydrophobicContact CE1-CG 4.13Å; F354-M393 HydrophobicContact CG-CE 3.91Å; F354-M393 HydrophobicContact CG-CG 4.29Å; F354-M393 HydrophobicContact CG-SD 4.02Å; I358-M393 HydrophobicContact CD1-SD 4.47Å; L389-M393 HydrophobicContact CG-SD 4.1Å; L389-M393 VanDerWaalsContact O-CG 3.29Å; L389-M393 WeakPolarHBondContact O-CG 3.3Å; L389-M393 PolarHBondContact O-N 2.88Å; F390-M393 HydrophobicContact CD1-SD 4.35Å; F390-M393 PolarHBondContact O-N 3.02Å; S391-M393 PolarHBondContact O-N 3.29Å; M393-R397 WeakPolarHBondContact O-CB 3.48Å; M393-R397 PolarHBondContact O-N 3.2Å; M393-R397 VanDerWaalsContact O-N 3.15Å; M393-V406 HydrophobicContact CB-CB 4.38Å; M393-V406 HydrophobicContact CB-CG1 4.37Å; M393-V406 HydrophobicContact CE-CB 4.04Å; M393-V406 HydrophobicContact SD-CB 4.32Å |
| 394 | L | 91 | Very high | 84.7 | Confident | 22 Ų | 22 | 50 Ų | 50 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.3 | -36 | 177.7 | -72.9 | 172.3 | 0 | 0 | 0 | 113 | F390 S391 F392 A398 V406 L451 K454 V455 | F390-L394 WeakPolarHBondContact O-CG 3.26Å; F390-L394 PolarHBondContact O-N 3.36Å; S391-L394 PolarHBondContact O-N 3.12Å; F392-L394 VanDerWaalsContact C-N 3.31Å; F392-L394 PolarHBondContact O-N 3.44Å; L394-A398 PolarHBondContact O-N 2.98Å; L394-V406 HydrophobicContact CD1-CG1 4.26Å; L394-V406 HydrophobicContact CD2-CG1 3.41Å; L394-V406 VanDerWaalsContact CD2-CG1 3.41Å; L394-V406 HydrophobicContact CG-CG1 3.54Å; L394-L451 HydrophobicContact CD1-CB 4.3Å; L394-L451 HydrophobicContact CD1-CD2 4Å; L394-K454 HydrophobicContact CD1-CB 4.3Å; L394-V455 HydrophobicContact CD1-CG2 4.07Å; L394-V455 HydrophobicContact CD2-CG2 3.69Å; L394-V455 HydrophobicContact CG-CG2 4.49Å |
| 395 | Q | 87.6 | Confident | 83.9 | Confident | 93 Ų | 93 | 52.9 Ų | 52.9 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 178.1 | -70.9 | 175.9 | 28.5 | 0 | 0 | 111.7 | S391 F392 R397 A398 K399 | S391-Q395 WeakPolarHBondContact O-CG 3.36Å; S391-Q395 PolarHBondContact O-N 3.26Å; S391-Q395 PolarHBondContact OG-NE2 3.07Å; F392-Q395 PolarHBondContact O-N 3.41Å; Q395-R397 VanDerWaalsContact C-N 3.33Å; Q395-A398 WeakPolarHBondContact O-CB 3.26Å; Q395-A398 PolarHBondContact O-N 2.89Å; Q395-A398 VanDerWaalsContact O-N 3.15Å; Q395-K399 PolarHBondContact O-N 3.26Å |
| 396 | D | 78.4 | Confident | 83.5 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 11% | 0.107 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75.5 | -24.2 | -179.6 | -83.6 | 3 | 0 | 0 | 0 | 112.9 | F392 A398 K399 G400 L401 L402 | F392-D396 VanDerWaalsContact CZ-OD2 3.24Å; F392-D396 WeakPolarHBondContact CZ-OD2 3.45Å; F392-D396 PolarHBondContact O-N 2.87Å; F392-D396 VanDerWaalsContact O-N 3.1Å; D396-A398 VanDerWaalsContact C-N 3.33Å; D396-K399 CarbonylContact O-C 3.44Å; D396-K399 PolarHBondContact O-N 3.03Å; D396-K399 VanDerWaalsContact O-N 3.17Å; D396-K399 IonicContact OD1-NZ 3.63Å; D396-K399 PolarHBondContact OD1-NZ 2.94Å; D396-G400 PolarHBondContact O-N 3.4Å; D396-L401 HydrophobicContact CB-CB 4.29Å; D396-L401 PolarHBondContact O-N 3.05Å; D396-L402 HydrophobicContact CB-CD1 3.57Å; D396-L402 HydrophobicContact CB-CG 3.82Å |
| 397 | R | 71.4 | Confident | 83.2 | Confident | 118 Ų | 118 | 54.9 Ų | 54.9 | 45% | 0.445 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 163.9 | -178.5 | -173.2 | 176.2 | -163.1 | -1.1 | 111.4 | M393 Q395 K399 G400 T405 | M393-R397 WeakPolarHBondContact O-CB 3.48Å; M393-R397 PolarHBondContact O-N 3.2Å; M393-R397 VanDerWaalsContact O-N 3.15Å; Q395-R397 VanDerWaalsContact C-N 3.33Å; R397-K399 PolarHBondContact O-N 2.74Å; R397-G400 PolarHBondContact O-N 3.1Å; R397-T405 HydrophobicContact CG-CG2 4.39Å |
| 398 | A | 68.1 | Low | 83.2 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 75% | 0.752 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.1 | -22.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L394 Q395 D396 | L394-A398 PolarHBondContact O-N 2.98Å; Q395-A398 WeakPolarHBondContact O-CB 3.26Å; Q395-A398 PolarHBondContact O-N 2.89Å; Q395-A398 VanDerWaalsContact O-N 3.15Å; D396-A398 VanDerWaalsContact C-N 3.33Å |
| 399 | K | 76.8 | Confident | 83.2 | Confident | 132 Ų | 132 | 58.5 Ų | 58.5 | 57% | 0.574 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -5.7 | 174.5 | -59 | 173.5 | -164 | 153.3 | 0 | 113.9 | Q395 D396 R397 L401 | Q395-K399 PolarHBondContact O-N 3.26Å; D396-K399 CarbonylContact O-C 3.44Å; D396-K399 PolarHBondContact O-N 3.03Å; D396-K399 VanDerWaalsContact O-N 3.17Å; D396-K399 IonicContact OD1-NZ 3.63Å; D396-K399 PolarHBondContact OD1-NZ 2.94Å; R397-K399 PolarHBondContact O-N 2.74Å; K399-L401 VanDerWaalsContact C-N 3.35Å; K399-L401 HydrophobicContact CB-CD1 3.73Å; K399-L401 HydrophobicContact CB-CG 3.83Å; K399-L401 HydrophobicContact CD-CD1 3.72Å; K399-L401 HydrophobicContact CG-CD1 4.42Å |
| 400 | G | 71.9 | Confident | 83.2 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 70% | 0.701 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 22.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D396 R397 | D396-G400 PolarHBondContact O-N 3.4Å; R397-G400 PolarHBondContact O-N 3.1Å |
| 401 | L | 69.9 | Low | 83.2 | Confident | 118 Ų | 118 | 58.5 Ų | 58.5 | 62% | 0.618 | 35% | 0.346 | S | S | * | . | trans | -90.2 | -16.8 | -170.6 | -68.1 | 170 | 0 | 0 | 0 | 114.8 | D396 K399 | D396-L401 HydrophobicContact CB-CB 4.29Å; D396-L401 PolarHBondContact O-N 3.05Å; K399-L401 VanDerWaalsContact C-N 3.35Å; K399-L401 HydrophobicContact CB-CD1 3.73Å; K399-L401 HydrophobicContact CB-CG 3.83Å; K399-L401 HydrophobicContact CD-CD1 3.72Å; K399-L401 HydrophobicContact CG-CD1 4.42Å | ||
| 402 | L | 66.7 | Low | 83.4 | Confident | 48 Ų | 48 | 58.5 Ų | 58.5 | 25% | 0.251 | 35% | 0.346 | S | S | . | . | trans | -117.8 | 137.5 | -171.5 | -65.8 | 176.4 | 0 | 0 | 0 | 112.6 | F354 D396 | F354-L402 HydrophobicContact CE2-CD1 4.15Å; F354-L402 HydrophobicContact CE2-CD2 3.74Å; F354-L402 HydrophobicContact CZ-CD1 4.24Å; F354-L402 HydrophobicContact CZ-CD2 4.1Å; D396-L402 HydrophobicContact CB-CD1 3.57Å; D396-L402 HydrophobicContact CB-CG 3.82Å | ||
| 403 | G | 67.2 | Low | 83.7 | Confident | 89 Ų | 89 | 55 Ų | 55 | 92% | 0.918 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -79.9 | -21.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 404 | T | 71.7 | Confident | 84 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 37% | 0.368 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -110.3 | 128.2 | -179.6 | 55 | 0 | 0 | 0 | 0 | 111 | F354 | F354-T404 WeakPolarHBondContact CD2-OG1 3.49Š|
| 405 | T | 80.6 | Confident | 84.3 | Confident | 75 Ų | 75 | 53.8 Ų | 53.8 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -102.1 | 146.1 | 179.6 | 54.5 | 0 | 0 | 0 | 0 | 111.3 | R397 | R397-T405 HydrophobicContact CG-CG2 4.39Š|
| 406 | V | 90.1 | Very high | 84.8 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.03 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 131.8 | 166.3 | 61.2 | 0 | 0 | 0 | 0 | 108.7 | F390 M393 L394 D410 L411 | F390-V406 HydrophobicContact CB-CG2 4.35Å; F390-V406 HydrophobicContact CD1-CB 4.34Å; F390-V406 HydrophobicContact CD1-CG2 3.52Å; F390-V406 HydrophobicContact CE1-CG2 3.93Å; F390-V406 HydrophobicContact CG-CG2 3.99Å; M393-V406 HydrophobicContact CB-CB 4.38Å; M393-V406 HydrophobicContact CB-CG1 4.37Å; M393-V406 HydrophobicContact CE-CB 4.04Å; M393-V406 HydrophobicContact SD-CB 4.32Å; L394-V406 HydrophobicContact CD1-CG1 4.26Å; L394-V406 HydrophobicContact CD2-CG1 3.41Å; L394-V406 VanDerWaalsContact CD2-CG1 3.41Å; L394-V406 HydrophobicContact CG-CG1 3.54Å; V406-D410 HydrophobicContact CG2-CB 4.11Å; V406-L411 HydrophobicContact CG2-CD1 4.03Å; V406-L411 HydrophobicContact CG2-CG 3.92Å |
| 407 | T | 92 | Very high | 85.8 | Confident | 58 Ų | 58 | 52 Ų | 52 | 36% | 0.356 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -94.5 | 161.9 | -179.8 | 66.5 | 0 | 0 | 0 | 0 | 111.3 | D409 D410 L411 | T407-D409 VanDerWaalsContact C-N 3.25Å; T407-D409 PolarHBondContact O-N 3.46Å; T407-D410 PolarHBondContact O-N 3.08Å; T407-D410 VanDerWaalsContact OG1-CG 3.23Å; T407-D410 PolarHBondContact OG1-N 3.23Å; T407-D410 VanDerWaalsContact OG1-N 3.16Å; T407-D410 PolarHBondContact OG1-OD2 3.22Å; T407-L411 PolarHBondContact O-N 2.74Å |
| 408 | F | 96 | Very high | 87.1 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.3 | -45.8 | 169.8 | 174.3 | -87.5 | 0 | 0 | 0 | 110.7 | D410 L411 M412 L452 V455 C457 Q461 K465 | F408-D410 VanDerWaalsContact C-N 3.3Å; F408-D410 PolarHBondContact O-N 3.09Å; F408-L411 PolarHBondContact O-N 2.93Å; F408-M412 HydrophobicContact CD1-CB 4.08Å; F408-M412 HydrophobicContact CE1-CB 3.7Å; F408-M412 HydrophobicContact CE1-CG 3.7Å; F408-M412 HydrophobicContact CE1-SD 4.3Å; F408-M412 HydrophobicContact CZ-CB 4.04Å; F408-M412 HydrophobicContact CZ-CG 3.88Å; F408-M412 HydrophobicContact CZ-SD 3.84Å; F408-M412 WeakPolarHBondContact O-CB 3.47Å; F408-M412 PolarHBondContact O-N 3.1Å; F408-L452 HydrophobicContact CD2-CD2 3.72Å; F408-L452 HydrophobicContact CE2-CD2 3.79Å; F408-L452 HydrophobicContact CG-CD2 4.47Å; F408-V455 HydrophobicContact CB-CG1 4.28Å; F408-C457 HydrophobicContact CD2-CB 3.51Å; F408-C457 HydrophobicContact CE2-CB 3.84Å; F408-C457 HydrophobicContact CG-CB 4.16Å; F408-Q461 HydrophobicContact CD1-CB 3.77Å; F408-Q461 VanDerWaalsContact CD1-CD 3.45Å; F408-Q461 HydrophobicContact CD1-CG 3.55Å; F408-Q461 HydrophobicContact CD2-CB 4.32Å; F408-Q461 HydrophobicContact CE1-CB 3.48Å; F408-Q461 VanDerWaalsContact CE1-CB 3.48Å; F408-Q461 HydrophobicContact CE1-CG 3.57Å; F408-Q461 HydrophobicContact CE2-CB 4.04Å; F408-Q461 HydrophobicContact CG-CB 4.19Å; F408-Q461 HydrophobicContact CG-CG 4.23Å; F408-Q461 HydrophobicContact CZ-CB 3.63Å; F408-Q461 HydrophobicContact CZ-CG 4.25Å; F408-Q461 WeakPolarHBondContact CZ-O 3.45Å; F408-K465 HydrophobicContact CE2-CB 4.21Å; F408-K465 HydrophobicContact CE2-CD 4.48Å; F408-K465 HydrophobicContact CZ-CB 4.05Å |
| 409 | D | 96.3 | Very high | 88.5 | Confident | 103 Ų | 103 | 42.1 Ų | 42.1 | 55% | 0.551 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.6 | -32.7 | -176.6 | -59.1 | -32.9 | 0 | 0 | 0 | 112.8 | T407 G413 Q461 | T407-D409 VanDerWaalsContact C-N 3.25Å; T407-D409 PolarHBondContact O-N 3.46Å; D409-G413 PolarHBondContact O-N 3.15Å; D409-Q461 PolarHBondContact OD1-NE2 2.9Å |
| 410 | D | 95.3 | Very high | 89.5 | Confident | 13 Ų | 13 | 39.2 Ų | 39.2 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -51 | 175.2 | -71.9 | -48.6 | 0 | 0 | 0 | 111.9 | K362 F390 V406 T407 F408 I414 | K362-D410 IonicContact NZ-OD1 3.86Å; K362-D410 PolarHBondContact NZ-OD1 3.36Å; K362-D410 VanDerWaalsContact NZ-OD1 3.09Å; F390-D410 HydrophobicContact CE1-CB 4.28Å; F390-D410 HydrophobicContact CZ-CB 4.23Å; V406-D410 HydrophobicContact CG2-CB 4.11Å; T407-D410 PolarHBondContact O-N 3.08Å; T407-D410 VanDerWaalsContact OG1-CG 3.23Å; T407-D410 PolarHBondContact OG1-N 3.23Å; T407-D410 VanDerWaalsContact OG1-N 3.16Å; T407-D410 PolarHBondContact OG1-OD2 3.22Å; F408-D410 VanDerWaalsContact C-N 3.3Å; F408-D410 PolarHBondContact O-N 3.09Å; D410-I414 WeakPolarHBondContact O-CG1 3.44Å; D410-I414 PolarHBondContact O-N 3.48Å |
| 411 | L | 97.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.1 | -47.6 | 177 | -85.8 | 159 | 0 | 0 | 0 | 111.5 | F390 V406 T407 F408 G413 I414 L415 L448 L451 L452 V455 | F390-L411 HydrophobicContact CB-CD2 3.88Å; F390-L411 HydrophobicContact CB-CG 4.45Å; F390-L411 HydrophobicContact CD2-CD2 3.34Å; F390-L411 HydrophobicContact CD2-CG 3.92Å; F390-L411 HydrophobicContact CE2-CD2 4.04Å; F390-L411 HydrophobicContact CE2-CG 4.32Å; F390-L411 HydrophobicContact CG-CD2 3.85Å; F390-L411 HydrophobicContact CG-CG 4.22Å; V406-L411 HydrophobicContact CG2-CD1 4.03Å; V406-L411 HydrophobicContact CG2-CG 3.92Å; T407-L411 PolarHBondContact O-N 2.74Å; F408-L411 PolarHBondContact O-N 2.93Å; L411-G413 VanDerWaalsContact C-N 3.32Å; L411-G413 PolarHBondContact O-N 3.33Å; L411-I414 PolarHBondContact O-N 3.18Å; L411-I414 VanDerWaalsContact O-N 3.15Å; L411-L415 PolarHBondContact O-N 3.31Å; L411-L448 HydrophobicContact CD2-CD2 4.32Å; L411-L451 HydrophobicContact CD1-CB 4.41Å; L411-L451 HydrophobicContact CD2-CB 3.69Å; L411-L451 HydrophobicContact CD2-CD1 4.13Å; L411-L452 HydrophobicContact CB-CD2 3.49Å; L411-L452 VanDerWaalsContact CB-CD2 3.49Å; L411-L452 HydrophobicContact CB-CG 3.87Å; L411-L452 HydrophobicContact CD1-CD2 4.3Å; L411-L452 HydrophobicContact CG-CD2 4.47Å; L411-V455 HydrophobicContact CD1-CB 4.38Å; L411-V455 HydrophobicContact CD1-CG2 3.59Å |
| 412 | M | 98.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.02 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | -178 | -169.9 | 65.1 | -135 | 0 | 0 | 111.3 | F408 I414 L415 C416 L452 F464 K465 T468 | F408-M412 HydrophobicContact CD1-CB 4.08Å; F408-M412 HydrophobicContact CE1-CB 3.7Å; F408-M412 HydrophobicContact CE1-CG 3.7Å; F408-M412 HydrophobicContact CE1-SD 4.3Å; F408-M412 HydrophobicContact CZ-CB 4.04Å; F408-M412 HydrophobicContact CZ-CG 3.88Å; F408-M412 HydrophobicContact CZ-SD 3.84Å; F408-M412 WeakPolarHBondContact O-CB 3.47Å; F408-M412 PolarHBondContact O-N 3.1Å; M412-I414 VanDerWaalsContact C-N 3.31Å; M412-I414 PolarHBondContact O-N 3.15Å; M412-L415 HydrophobicContact CE-CB 4.45Å; M412-L415 HydrophobicContact CE-CD2 3.9Å; M412-L415 HydrophobicContact CE-CG 4.35Å; M412-L415 PolarHBondContact O-N 3.27Å; M412-L415 HydrophobicContact SD-CD2 4.11Å; M412-C416 VanDerWaalsContact CE-SG 3.55Å; M412-C416 PolarHBondContact O-N 2.83Å; M412-C416 PolarHBondContact O-SG 2.7Å; M412-L452 HydrophobicContact CB-CD2 4.44Å; M412-L452 HydrophobicContact SD-CD1 4.24Å; M412-F464 HydrophobicContact CE-CD1 4.13Å; M412-F464 HydrophobicContact CE-CE1 3.84Å; M412-F464 HydrophobicContact CE-CZ 4.29Å; M412-F464 HydrophobicContact CG-CD1 3.71Å; M412-F464 HydrophobicContact CG-CE1 3.49Å; M412-F464 VanDerWaalsContact CG-CE1 3.49Å; M412-F464 HydrophobicContact SD-CD1 4.2Å; M412-F464 HydrophobicContact SD-CE1 4.27Å; M412-K465 HydrophobicContact SD-CB 4.11Å; M412-T468 VanDerWaalsContact CE-CB 3.45Å; M412-T468 HydrophobicContact CE-CG2 3.6Å; M412-T468 WeakPolarHBondContact CE-OG1 3.26Å |
| 413 | G | 97.8 | Very high | 93.3 | Very high | 25 Ų | 25 | 29.4 Ų | 29.4 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.3 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | D409 L411 K417 | D409-G413 PolarHBondContact O-N 3.15Å; L411-G413 VanDerWaalsContact C-N 3.32Å; L411-G413 PolarHBondContact O-N 3.33Å; G413-K417 WeakPolarHBondContact O-CG 3.22Å; G413-K417 PolarHBondContact O-N 2.79Å |
| 414 | I | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -75.4 | -35.6 | 176.4 | -58.1 | -51.8 | 0 | 0 | 0 | 111.7 | K362 L365 L383 F386 F390 D410 L411 M412 C416 K417 S418 L448 | K362-I414 HydrophobicContact CG-CD1 3.91Å; L365-I414 HydrophobicContact CD2-CD1 4.24Å; L383-I414 HydrophobicContact CD2-CG2 4.08Å; F386-I414 HydrophobicContact CB-CG1 4.27Å; F386-I414 HydrophobicContact CB-CG2 3.85Å; F386-I414 HydrophobicContact CD1-CD1 3.91Å; F386-I414 HydrophobicContact CD1-CG1 3.82Å; F386-I414 HydrophobicContact CD2-CD1 3.86Å; F386-I414 HydrophobicContact CD2-CG1 4.26Å; F386-I414 HydrophobicContact CD2-CG2 4.24Å; F386-I414 HydrophobicContact CE1-CD1 3.75Å; F386-I414 HydrophobicContact CE1-CG1 4.11Å; F386-I414 HydrophobicContact CE2-CD1 3.7Å; F386-I414 HydrophobicContact CG-CD1 3.94Å; F386-I414 HydrophobicContact CG-CG1 3.88Å; F386-I414 HydrophobicContact CG-CG2 4.1Å; F386-I414 HydrophobicContact CZ-CD1 3.61Å; F386-I414 HydrophobicContact CZ-CG1 4.43Å; F390-I414 HydrophobicContact CE2-CB 4.06Å; F390-I414 HydrophobicContact CE2-CG1 3.64Å; F390-I414 HydrophobicContact CZ-CG1 3.8Å; D410-I414 WeakPolarHBondContact O-CG1 3.44Å; D410-I414 PolarHBondContact O-N 3.48Å; L411-I414 PolarHBondContact O-N 3.18Å; L411-I414 VanDerWaalsContact O-N 3.15Å; M412-I414 VanDerWaalsContact C-N 3.31Å; M412-I414 PolarHBondContact O-N 3.15Å; I414-C416 PolarHBondContact O-N 2.95Å; I414-K417 HydrophobicContact CD1-CD 4.48Å; I414-K417 PolarHBondContact O-N 3.35Å; I414-S418 WeakPolarHBondContact O-CB 3.14Å; I414-S418 PolarHBondContact O-N 2.97Å; I414-S418 PolarHBondContact O-OG 3.36Å; I414-L448 HydrophobicContact CG2-CD1 3.88Å; I414-L448 HydrophobicContact CG2-CD2 4.14Å |
| 415 | L | 98.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 171.8 | 178.4 | 62.3 | 0 | 0 | 0 | 110.8 | L411 M412 K417 S418 V419 I445 L448 I449 L452 T468 | L411-L415 PolarHBondContact O-N 3.31Å; M412-L415 HydrophobicContact CE-CB 4.45Å; M412-L415 HydrophobicContact CE-CD2 3.9Å; M412-L415 HydrophobicContact CE-CG 4.35Å; M412-L415 PolarHBondContact O-N 3.27Å; M412-L415 HydrophobicContact SD-CD2 4.11Å; L415-K417 VanDerWaalsContact C-N 3.33Å; L415-K417 PolarHBondContact O-N 3.3Å; L415-S418 WeakPolarHBondContact O-CB 3.01Å; L415-S418 PolarHBondContact O-N 2.93Å; L415-S418 VanDerWaalsContact O-N 3.1Å; L415-V419 HydrophobicContact CD1-CG2 4.22Å; L415-V419 WeakPolarHBondContact O-CG2 3.4Å; L415-V419 PolarHBondContact O-N 3.02Å; L415-I445 HydrophobicContact CD1-CG2 3.87Å; L415-L448 HydrophobicContact CD1-CB 4.34Å; L415-I449 HydrophobicContact CD1-CG1 4.07Å; L415-I449 HydrophobicContact CD2-CG1 4.25Å; L415-L452 HydrophobicContact CB-CD1 4.27Å; L415-L452 HydrophobicContact CD2-CD1 3.51Å; L415-L452 HydrophobicContact CG-CD1 4.48Å; L415-T468 HydrophobicContact CD2-CG2 4.39Å; L415-T468 HydrophobicContact CG-CG2 4.31Å |
| 416 | C | 98.7 | Very high | 96.1 | Very high | 30 Ų | 30 | 25.7 Ų | 25.7 | 20% | 0.203 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.6 | -45.7 | 176 | -76.7 | 0 | 0 | 0 | 0 | 112.5 | M412 I414 S418 V419 L420 | M412-C416 VanDerWaalsContact CE-SG 3.55Å; M412-C416 PolarHBondContact O-N 2.83Å; M412-C416 PolarHBondContact O-SG 2.7Å; I414-C416 PolarHBondContact O-N 2.95Å; C416-S418 VanDerWaalsContact C-N 3.34Å; C416-V419 PolarHBondContact O-N 2.97Å; C416-L420 WeakPolarHBondContact O-CB 3.22Å; C416-L420 PolarHBondContact O-N 3Å |
| 417 | K | 98.5 | Very high | 96.1 | Very high | 44 Ų | 44 | 33 Ų | 33 | 19% | 0.191 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.8 | -35.9 | 176.8 | -70.1 | -178.9 | -171 | -58.7 | 0 | 112.5 | L365 D366 Q369 G413 I414 L415 L420 E421 | L365-K417 HydrophobicContact CD2-CB 4.06Å; L365-K417 HydrophobicContact CD2-CD 3.53Å; L365-K417 HydrophobicContact CD2-CG 4.44Å; L365-K417 HydrophobicContact CG-CD 4.15Å; D366-K417 VanDerWaalsContact CG-NZ 3.32Å; D366-K417 WeakPolarHBondContact OD1-CE 3.28Å; D366-K417 IonicContact OD1-NZ 2.85Å; D366-K417 PolarHBondContact OD1-NZ 3.15Å; D366-K417 IonicContact OD2-NZ 3.34Å; D366-K417 PolarHBondContact OD2-NZ 2.88Å; Q369-K417 PolarHBondContact NE2-O 3.46Å; G413-K417 WeakPolarHBondContact O-CG 3.22Å; G413-K417 PolarHBondContact O-N 2.79Å; I414-K417 HydrophobicContact CD1-CD 4.48Å; I414-K417 PolarHBondContact O-N 3.35Å; L415-K417 VanDerWaalsContact C-N 3.33Å; L415-K417 PolarHBondContact O-N 3.3Å; K417-L420 WeakPolarHBondContact O-CB 3.42Å; K417-L420 PolarHBondContact O-N 2.87Å; K417-E421 PolarHBondContact O-N 3.12Å; K417-E421 VanDerWaalsContact O-N 3.08Å |
| 418 | S | 98.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67 | -43.2 | 176.1 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | L383 I414 L415 C416 E421 I422 L448 | L383-S418 WeakPolarHBondContact CD2-OG 3.42Å; I414-S418 WeakPolarHBondContact O-CB 3.14Å; I414-S418 PolarHBondContact O-N 2.97Å; I414-S418 PolarHBondContact O-OG 3.36Å; L415-S418 WeakPolarHBondContact O-CB 3.01Å; L415-S418 PolarHBondContact O-N 2.93Å; L415-S418 VanDerWaalsContact O-N 3.1Å; C416-S418 VanDerWaalsContact C-N 3.34Å; S418-E421 VanDerWaalsContact O-CB 3.29Å; S418-E421 WeakPolarHBondContact O-CB 3.13Å; S418-E421 PolarHBondContact O-N 3.33Å; S418-I422 PolarHBondContact O-N 3.22Å; S418-L448 VanDerWaalsContact OG-CD1 3.23Å; S418-L448 WeakPolarHBondContact OG-CD1 3.44Å |
| 419 | V | 98.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.6 | -40.9 | 175.2 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | L415 C416 E421 I422 E423 T468 F472 L475 | L415-V419 HydrophobicContact CD1-CG2 4.22Å; L415-V419 WeakPolarHBondContact O-CG2 3.4Å; L415-V419 PolarHBondContact O-N 3.02Å; C416-V419 PolarHBondContact O-N 2.97Å; V419-E421 PolarHBondContact O-N 3.26Å; V419-I422 WeakPolarHBondContact O-CB 3.33Å; V419-I422 PolarHBondContact O-N 3.27Å; V419-I422 VanDerWaalsContact O-N 3.08Å; V419-E423 WeakPolarHBondContact O-CG 3.26Å; V419-E423 PolarHBondContact O-N 3.21Å; V419-T468 HydrophobicContact CG2-CG2 4.12Å; V419-F472 HydrophobicContact CB-CB 4.5Å; V419-F472 HydrophobicContact CG1-CB 3.88Å; V419-F472 HydrophobicContact CG2-CB 3.78Å; V419-F472 HydrophobicContact CG2-CD2 4.35Å; V419-F472 HydrophobicContact CG2-CG 4.2Å; V419-L475 HydrophobicContact CG1-CD1 4.48Å |
| 420 | L | 97.5 | Very high | 93.5 | Very high | 71 Ų | 71 | 42.9 Ų | 42.9 | 37% | 0.372 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56.6 | -36.4 | 173.1 | 178.3 | 64.5 | 0 | 0 | 0 | 111.7 | C416 K417 I422 E423 R424 | C416-L420 WeakPolarHBondContact O-CB 3.22Å; C416-L420 PolarHBondContact O-N 3Å; K417-L420 WeakPolarHBondContact O-CB 3.42Å; K417-L420 PolarHBondContact O-N 2.87Å; L420-I422 VanDerWaalsContact C-N 3.34Å; L420-I422 PolarHBondContact O-N 3.41Å; L420-E423 WeakPolarHBondContact O-CB 3.44Å; L420-E423 PolarHBondContact O-N 3.09Å; L420-R424 HydrophobicContact CD1-CG 4.39Å; L420-R424 HydrophobicContact CG-CG 4.39Å; L420-R424 VanDerWaalsContact O-CG 3.25Å; L420-R424 WeakPolarHBondContact O-CG 3.43Å; L420-R424 PolarHBondContact O-N 3.48Å |
| 421 | E | 96.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 176.5 | -162.6 | 65.2 | -173.7 | 0 | 0 | 112.5 | Q369 P374 L375 T379 K417 S418 V419 R424 A425 | Q369-E421 PolarHBondContact NE2-OE2 3.4Å; P374-E421 WeakPolarHBondContact CA-OE1 3.21Å; L375-E421 HydrophobicContact CD2-CG 4.06Å; L375-E421 PolarHBondContact N-OE1 3.35Å; T379-E421 HydrophobicContact CG2-CG 4.34Å; K417-E421 PolarHBondContact O-N 3.12Å; K417-E421 VanDerWaalsContact O-N 3.08Å; S418-E421 VanDerWaalsContact O-CB 3.29Å; S418-E421 WeakPolarHBondContact O-CB 3.13Å; S418-E421 PolarHBondContact O-N 3.33Å; V419-E421 PolarHBondContact O-N 3.26Å; E421-R424 VanDerWaalsContact CD-NH1 3.27Å; E421-R424 PolarHBondContact O-N 3.32Å; E421-R424 IonicContact OE1-NH1 2.66Å; E421-R424 PolarHBondContact OE1-NH1 3.07Å; E421-R424 VanDerWaalsContact OE1-NH1 3.15Å; E421-R424 IonicContact OE2-CZ 2.69Å; E421-R424 IonicContact OE2-NH1 3.3Å; E421-R424 PolarHBondContact OE2-NH1 3Å; E421-A425 PolarHBondContact O-N 3.41Å |
| 422 | I | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 174.5 | -54.2 | -59.4 | 0 | 0 | 0 | 110.6 | L375 S418 V419 L420 R424 A425 I426 L438 A441 L442 I445 F472 L475 P477 | L375-I422 HydrophobicContact CD2-CD1 4.21Å; S418-I422 PolarHBondContact O-N 3.22Å; V419-I422 WeakPolarHBondContact O-CB 3.33Å; V419-I422 PolarHBondContact O-N 3.27Å; V419-I422 VanDerWaalsContact O-N 3.08Å; L420-I422 VanDerWaalsContact C-N 3.34Å; L420-I422 PolarHBondContact O-N 3.41Å; I422-R424 PolarHBondContact O-N 2.75Å; I422-A425 PolarHBondContact O-N 2.76Å; I422-I426 HydrophobicContact CG2-CD1 3.73Å; I422-I426 HydrophobicContact CG2-CG1 4.5Å; I422-I426 WeakPolarHBondContact O-CG1 3.44Å; I422-I426 PolarHBondContact O-N 3.23Å; I422-L438 HydrophobicContact CD1-CD1 3.69Å; I422-A441 HydrophobicContact CD1-CB 3.78Å; I422-L442 HydrophobicContact CD1-CD2 3.9Å; I422-L442 HydrophobicContact CG1-CD2 4.38Å; I422-I445 HydrophobicContact CD1-CD1 4.06Å; I422-I445 HydrophobicContact CG1-CD1 3.51Å; I422-F472 HydrophobicContact CG1-CE2 4.25Å; I422-L475 HydrophobicContact CB-CD1 4.2Å; I422-L475 HydrophobicContact CG2-CD1 3.84Å; I422-P477 HydrophobicContact CG2-CB 4.04Å |
| 423 | E | 95.8 | Very high | 90.5 | Very high | 25 Ų | 25 | 52.9 Ų | 52.9 | 12% | 0.117 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -43 | 176.3 | -67.5 | 172.9 | -169.7 | 0 | 0 | 112 | V419 L420 A425 K427 R471 L475 | V419-E423 WeakPolarHBondContact O-CG 3.26Å; V419-E423 PolarHBondContact O-N 3.21Å; L420-E423 WeakPolarHBondContact O-CB 3.44Å; L420-E423 PolarHBondContact O-N 3.09Å; E423-A425 VanDerWaalsContact C-N 3.33Å; E423-K427 WeakPolarHBondContact O-CB 3.23Å; E423-K427 VanDerWaalsContact O-CG 3.24Å; E423-K427 WeakPolarHBondContact O-CG 2.95Å; E423-K427 PolarHBondContact O-N 3.3Å; E423-K427 VanDerWaalsContact O-N 3.1Å; E423-R471 IonicContact OE1-CZ 2.81Å; E423-R471 VanDerWaalsContact OE1-CZ 3.28Å; E423-R471 IonicContact OE1-NE 3.71Å; E423-R471 PolarHBondContact OE1-NE 2.71Å; E423-R471 IonicContact OE1-NH2 3.53Å; E423-R471 PolarHBondContact OE1-NH2 2.9Å; E423-L475 HydrophobicContact CB-CD1 4.47Å; E423-L475 HydrophobicContact CG-CD1 3.49Å; E423-L475 VanDerWaalsContact CG-CD1 3.49Å; E423-L475 HydrophobicContact CG-CD2 4Å; E423-L475 HydrophobicContact CG-CG 4.35Å |
| 424 | R | 94.6 | Very high | 89.9 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 21% | 0.211 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 176.8 | -71.5 | 171.9 | 69.2 | -132.8 | -5.3 | 111 | Q369 L372 P374 L420 E421 I422 K427 Q428 | Q369-R424 PolarHBondContact O-NE 3.31Å; Q369-R424 PolarHBondContact O-NH1 3.17Å; Q369-R424 PolarHBondContact O-NH2 3.37Å; L372-R424 PolarHBondContact O-NH2 3.27Å; P374-R424 HydrophobicContact CB-CB 3.98Å; P374-R424 HydrophobicContact CG-CB 3.88Å; L420-R424 HydrophobicContact CD1-CG 4.39Å; L420-R424 HydrophobicContact CG-CG 4.39Å; L420-R424 VanDerWaalsContact O-CG 3.25Å; L420-R424 WeakPolarHBondContact O-CG 3.43Å; L420-R424 PolarHBondContact O-N 3.48Å; E421-R424 VanDerWaalsContact CD-NH1 3.27Å; E421-R424 PolarHBondContact O-N 3.32Å; E421-R424 IonicContact OE1-NH1 2.66Å; E421-R424 PolarHBondContact OE1-NH1 3.07Å; E421-R424 VanDerWaalsContact OE1-NH1 3.15Å; E421-R424 IonicContact OE2-CZ 2.69Å; E421-R424 IonicContact OE2-NH1 3.3Å; E421-R424 PolarHBondContact OE2-NH1 3Å; I422-R424 PolarHBondContact O-N 2.75Å; R424-K427 PolarHBondContact O-N 2.97Å; R424-Q428 PolarHBondContact O-N 3.15Å |
| 425 | A | 93.8 | Very high | 89.4 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 5% | 0.05 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | P374 L375 E421 I422 E423 K427 Q428 | P374-A425 HydrophobicContact CB-CB 3.9Å; L375-A425 HydrophobicContact CD1-CB 3.55Å; L375-A425 HydrophobicContact CD2-CB 4.37Å; L375-A425 HydrophobicContact CG-CB 3.7Å; E421-A425 PolarHBondContact O-N 3.41Å; I422-A425 PolarHBondContact O-N 2.76Å; E423-A425 VanDerWaalsContact C-N 3.33Å; A425-K427 VanDerWaalsContact C-N 3.34Å; A425-K427 PolarHBondContact O-N 3.5Å; A425-Q428 WeakPolarHBondContact O-CB 3.42Å; A425-Q428 PolarHBondContact O-N 2.9Å |
| 426 | I | 90 | Very high | 88.9 | Confident | 84 Ų | 84 | 64.2 Ų | 64.2 | 43% | 0.431 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -71.4 | -30.8 | -179.2 | -69.2 | 168.3 | 0 | 0 | 0 | 111.9 | I422 Q428 L475 | I422-I426 HydrophobicContact CG2-CD1 3.73Å; I422-I426 HydrophobicContact CG2-CG1 4.5Å; I422-I426 WeakPolarHBondContact O-CG1 3.44Å; I422-I426 PolarHBondContact O-N 3.23Å; I426-Q428 PolarHBondContact O-N 2.88Å; I426-L475 HydrophobicContact CD1-CB 3.62Å; I426-L475 HydrophobicContact CD1-CD1 4.48Å; I426-L475 HydrophobicContact CD1-CG 4.42Å |
| 427 | K | 89.5 | Confident | 88.7 | Confident | 158 Ų | 158 | 64.7 Ų | 64.7 | 69% | 0.687 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -74 | -14.3 | 175.7 | -73 | 173.5 | -175.8 | 174.1 | 0 | 113.3 | E423 R424 A425 T429 | E423-K427 WeakPolarHBondContact O-CB 3.23Å; E423-K427 VanDerWaalsContact O-CG 3.24Å; E423-K427 WeakPolarHBondContact O-CG 2.95Å; E423-K427 PolarHBondContact O-N 3.3Å; E423-K427 VanDerWaalsContact O-N 3.1Å; R424-K427 PolarHBondContact O-N 2.97Å; A425-K427 VanDerWaalsContact C-N 3.34Å; A425-K427 PolarHBondContact O-N 3.5Å; K427-T429 PolarHBondContact O-N 3.31Å |
| 428 | Q | 85.8 | Confident | 88.5 | Confident | 65 Ų | 65 | 63.4 Ų | 63.4 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | trans | -76.1 | 115.1 | -179 | -167.4 | 171.2 | 11.4 | 0 | 0 | 110.4 | R424 A425 I426 | R424-Q428 PolarHBondContact O-N 3.15Å; A425-Q428 WeakPolarHBondContact O-CB 3.42Å; A425-Q428 PolarHBondContact O-N 2.9Å; I426-Q428 PolarHBondContact O-N 2.88Å | ||
| 429 | T | 72.7 | Confident | 88.4 | Confident | 135 Ų | 135 | 64.7 Ų | 64.7 | 83% | 0.828 | 35% | 0.349 | S | S | * | . | trans | -87.7 | -22 | -174.9 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | K427 | K427-T429 PolarHBondContact O-N 3.31Š| ||
| 430 | Q | 72.2 | Confident | 88.2 | Confident | 178 Ų | 178 | 67.9 Ų | 67.9 | 83% | 0.832 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -85.4 | -29.3 | -166.8 | -65.5 | -180 | 4.6 | 0 | 0 | 113.9 | ||
| 431 | C | 72.4 | Confident | 88.2 | Confident | 74 Ų | 74 | 64.8 Ų | 64.8 | 50% | 0.5 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -142.6 | 127 | -177.4 | -167.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 432 | P | 75.8 | Confident | 88.3 | Confident | 117 Ų | 117 | 64.7 Ų | 64.7 | 76% | 0.76 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 141.1 | 173.3 | 26.6 | -32.8 | 0 | 0 | 0 | 109.8 | D434 | P432-D434 PolarHBondContact O-N 2.54Š|
| 433 | A | 79.5 | Confident | 88.3 | Confident | 36 Ų | 36 | 65 Ų | 65 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 133.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | L375 P435 L438 | L375-A433 HydrophobicContact CD1-CB 3.64Å; A433-P435 WeakPolarHBondContact O-CD 3.39Å; A433-P435 VanDerWaalsContact O-N 3.1Å; A433-L438 HydrophobicContact CB-CD2 4.25Å |
| 434 | D | 84.6 | Confident | 88.5 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 43% | 0.428 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 116.4 | 171.5 | 175.2 | 1.5 | 0 | 0 | 0 | 108.9 | P432 L436 Q437 L438 | P432-D434 PolarHBondContact O-N 2.54Å; D434-L436 PolarHBondContact O-N 2.04Å; D434-L436 VanDerWaalsContact O-N 3.09Å; D434-L436 WeakPolarHBondContact OD1-CB 3.39Å; D434-L436 PolarHBondContact OD1-N 3.5Å; D434-Q437 HydrophobicContact CB-CB 4.23Å; D434-Q437 HydrophobicContact CB-CG 4.06Å; D434-Q437 PolarHBondContact O-N 3.28Å; D434-Q437 VanDerWaalsContact O-N 3.1Å; D434-Q437 WeakPolarHBondContact OD2-CG 3.01Å; D434-L438 WeakPolarHBondContact O-CB 3.28Å; D434-L438 PolarHBondContact O-N 2.91Å |
| 435 | P | 87.5 | Confident | 88.7 | Confident | 77 Ų | 77 | 61.2 Ų | 61.2 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.7 | -30.6 | -178.1 | -26.6 | 35.4 | 0 | 0 | 0 | 113.2 | A433 N439 | A433-P435 WeakPolarHBondContact O-CD 3.39Å; A433-P435 VanDerWaalsContact O-N 3.1Å; P435-N439 VanDerWaalsContact O-CB 3.26Å; P435-N439 WeakPolarHBondContact O-CB 3.5Å; P435-N439 PolarHBondContact O-N 3.32Å |
| 436 | L | 89.9 | Confident | 88.9 | Confident | 107 Ų | 107 | 61 Ų | 61 | 56% | 0.56 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -72.7 | -44.2 | 179.1 | -176.1 | 61 | 0 | 0 | 0 | 111.8 | D434 N439 K440 | D434-L436 PolarHBondContact O-N 2.04Å; D434-L436 VanDerWaalsContact O-N 3.09Å; D434-L436 WeakPolarHBondContact OD1-CB 3.39Å; D434-L436 PolarHBondContact OD1-N 3.5Å; L436-N439 PolarHBondContact O-N 2.95Å; L436-K440 PolarHBondContact O-N 3.17Å; L436-K440 VanDerWaalsContact O-N 3.08Å |
| 437 | Q | 93.1 | Very high | 89.3 | Confident | 39 Ų | 39 | 57 Ų | 57 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.1 | -39.4 | 175.9 | -61.3 | -53.6 | -25.5 | 0 | 0 | 111.5 | L375 D434 K440 A441 | L375-Q437 HydrophobicContact CB-CB 4.01Å; D434-Q437 HydrophobicContact CB-CB 4.23Å; D434-Q437 HydrophobicContact CB-CG 4.06Å; D434-Q437 PolarHBondContact O-N 3.28Å; D434-Q437 VanDerWaalsContact O-N 3.1Å; D434-Q437 WeakPolarHBondContact OD2-CG 3.01Å; Q437-K440 PolarHBondContact O-N 2.81Å; Q437-A441 PolarHBondContact O-N 3.38Å |
| 438 | L | 94.6 | Very high | 89.7 | Confident | 17 Ų | 17 | 49.4 Ų | 49.4 | 9% | 0.089 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 175 | -177.4 | 51.9 | 0 | 0 | 0 | 110.5 | L375 I422 A433 D434 K440 A441 L442 R478 | L375-L438 HydrophobicContact CD1-CB 3.95Å; L375-L438 HydrophobicContact CD1-CD1 4.1Å; L375-L438 HydrophobicContact CD2-CD1 4.48Å; I422-L438 HydrophobicContact CD1-CD1 3.69Å; A433-L438 HydrophobicContact CB-CD2 4.25Å; D434-L438 WeakPolarHBondContact O-CB 3.28Å; D434-L438 PolarHBondContact O-N 2.91Å; L438-K440 VanDerWaalsContact C-N 3.3Å; L438-K440 PolarHBondContact O-N 3.15Å; L438-A441 PolarHBondContact O-N 2.93Å; L438-A441 VanDerWaalsContact O-N 3.15Å; L438-L442 HydrophobicContact CD1-CD2 4.38Å; L438-L442 HydrophobicContact CD1-CG 4.24Å; L438-L442 HydrophobicContact CG-CD1 4.37Å; L438-L442 VanDerWaalsContact O-CG 3.3Å; L438-L442 WeakPolarHBondContact O-CG 3.21Å; L438-L442 PolarHBondContact O-N 3.12Å; L438-R478 WeakPolarHBondContact CD2-O 3.49Å |
| 439 | N | 95.6 | Very high | 90.3 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 16% | 0.16 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.4 | -46.6 | 175.3 | -167.9 | 82.7 | 0 | 0 | 0 | 112.2 | P435 L436 A441 L442 S443 K480 | P435-N439 VanDerWaalsContact O-CB 3.26Å; P435-N439 WeakPolarHBondContact O-CB 3.5Å; P435-N439 PolarHBondContact O-N 3.32Å; L436-N439 PolarHBondContact O-N 2.95Å; N439-A441 PolarHBondContact O-N 3.09Å; N439-L442 PolarHBondContact O-N 3.23Å; N439-S443 PolarHBondContact O-N 3.47Å; N439-S443 PolarHBondContact O-OG 3.34Å; N439-K480 HydrophobicContact CB-CB 4.01Å; N439-K480 WeakPolarHBondContact OD1-CB 3.15Å; N439-K480 PolarHBondContact OD1-N 3.18Å |
| 440 | K | 95.8 | Very high | 91.5 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 30% | 0.296 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 178.3 | -173.5 | 174.4 | -177.4 | 176.8 | 0 | 111.8 | A380 L436 Q437 L438 S443 I444 V497 | A380-K440 HydrophobicContact CB-CD 4.39Å; L436-K440 PolarHBondContact O-N 3.17Å; L436-K440 VanDerWaalsContact O-N 3.08Å; Q437-K440 PolarHBondContact O-N 2.81Å; L438-K440 VanDerWaalsContact C-N 3.3Å; L438-K440 PolarHBondContact O-N 3.15Å; K440-S443 PolarHBondContact O-N 3.42Å; K440-I444 HydrophobicContact CG-CD1 4.15Å; K440-I444 VanDerWaalsContact O-CG1 3.28Å; K440-I444 WeakPolarHBondContact O-CG1 3.42Å; K440-I444 PolarHBondContact O-N 3.38Å; K440-V497 HydrophobicContact CG-CG2 4.49Å |
| 441 | A | 97 | Very high | 92.7 | Very high | 6 Ų | 6 | 32 Ų | 32 | 5% | 0.05 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L375 I422 Q437 L438 N439 I444 I445 | L375-A441 HydrophobicContact CD2-CB 3.66Å; I422-A441 HydrophobicContact CD1-CB 3.78Å; Q437-A441 PolarHBondContact O-N 3.38Å; L438-A441 PolarHBondContact O-N 2.93Å; L438-A441 VanDerWaalsContact O-N 3.15Å; N439-A441 PolarHBondContact O-N 3.09Å; A441-I444 PolarHBondContact O-N 3.32Å; A441-I445 WeakPolarHBondContact O-CG1 3.14Å; A441-I445 PolarHBondContact O-N 3.16Å |
| 442 | L | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 175.4 | -61.3 | 178.1 | 0 | 0 | 0 | 111.6 | I422 L438 N439 I444 I445 L446 F472 P477 L488 | I422-L442 HydrophobicContact CD1-CD2 3.9Å; I422-L442 HydrophobicContact CG1-CD2 4.38Å; L438-L442 HydrophobicContact CD1-CD2 4.38Å; L438-L442 HydrophobicContact CD1-CG 4.24Å; L438-L442 HydrophobicContact CG-CD1 4.37Å; L438-L442 VanDerWaalsContact O-CG 3.3Å; L438-L442 WeakPolarHBondContact O-CG 3.21Å; L438-L442 PolarHBondContact O-N 3.12Å; N439-L442 PolarHBondContact O-N 3.23Å; L442-I444 VanDerWaalsContact C-N 3.33Å; L442-I444 PolarHBondContact O-N 3.32Å; L442-I445 WeakPolarHBondContact O-CB 3.48Å; L442-I445 PolarHBondContact O-N 3.41Å; L442-L446 WeakPolarHBondContact O-CG 3.49Å; L442-L446 PolarHBondContact O-N 3.06Å; L442-F472 HydrophobicContact CD2-CE2 3.51Å; L442-F472 HydrophobicContact CD2-CZ 3.65Å; L442-P477 HydrophobicContact CD1-CB 4.19Å; L442-P477 HydrophobicContact CD2-CB 3.61Å; L442-P477 HydrophobicContact CD2-CG 3.8Å; L442-L488 HydrophobicContact CB-CD1 3.58Å; L442-L488 HydrophobicContact CD1-CD1 4.06Å; L442-L488 HydrophobicContact CG-CD1 4.48Å |
| 443 | S | 97.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.1 | -46.4 | 174.5 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | N439 K440 I445 L446 H447 | N439-S443 PolarHBondContact O-N 3.47Å; N439-S443 PolarHBondContact O-OG 3.34Å; K440-S443 PolarHBondContact O-N 3.42Å; S443-I445 VanDerWaalsContact C-N 3.34Å; S443-I445 PolarHBondContact O-N 3.02Å; S443-L446 PolarHBondContact O-N 3.1Å; S443-H447 PolarHBondContact O-N 3.43Å; S443-H447 VanDerWaalsContact O-N 3.09Å; S443-H447 PolarHBondContact O-ND1 3.29Å |
| 444 | I | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 177.8 | -65.2 | 162.2 | 0 | 0 | 0 | 111.3 | A380 L383 L384 K440 A441 L442 L446 H447 L448 V497 | A380-I444 WeakPolarHBondContact O-CD1 3.41Å; L383-I444 HydrophobicContact CB-CD1 4.38Å; L383-I444 HydrophobicContact CB-CG2 3.99Å; L384-I444 HydrophobicContact CB-CD1 3.87Å; L384-I444 HydrophobicContact CB-CG1 4.2Å; L384-I444 HydrophobicContact CD1-CG1 4.44Å; K440-I444 HydrophobicContact CG-CD1 4.15Å; K440-I444 VanDerWaalsContact O-CG1 3.28Å; K440-I444 WeakPolarHBondContact O-CG1 3.42Å; K440-I444 PolarHBondContact O-N 3.38Å; A441-I444 PolarHBondContact O-N 3.32Å; L442-I444 VanDerWaalsContact C-N 3.33Å; L442-I444 PolarHBondContact O-N 3.32Å; I444-L446 VanDerWaalsContact C-N 3.33Å; I444-L446 PolarHBondContact O-N 3.41Å; I444-H447 WeakPolarHBondContact O-CB 3.44Å; I444-H447 PolarHBondContact O-N 2.94Å; I444-H447 VanDerWaalsContact O-N 3.17Å; I444-L448 HydrophobicContact CG2-CD1 4.16Å; I444-L448 HydrophobicContact CG2-CG 4.46Å; I444-L448 WeakPolarHBondContact O-CG 3.36Å; I444-L448 PolarHBondContact O-N 3.31Å; I444-V497 HydrophobicContact CG1-CG2 3.69Å |
| 445 | I | 98.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.4 | -45.9 | 176.5 | -72.7 | 167.9 | 0 | 0 | 0 | 111.2 | L415 I422 A441 L442 S443 H447 L448 I449 F472 | L415-I445 HydrophobicContact CD1-CG2 3.87Å; I422-I445 HydrophobicContact CD1-CD1 4.06Å; I422-I445 HydrophobicContact CG1-CD1 3.51Å; A441-I445 WeakPolarHBondContact O-CG1 3.14Å; A441-I445 PolarHBondContact O-N 3.16Å; L442-I445 WeakPolarHBondContact O-CB 3.48Å; L442-I445 PolarHBondContact O-N 3.41Å; S443-I445 VanDerWaalsContact C-N 3.34Å; S443-I445 PolarHBondContact O-N 3.02Å; I445-H447 VanDerWaalsContact C-N 3.28Å; I445-H447 PolarHBondContact O-N 3.49Å; I445-L448 PolarHBondContact O-N 2.95Å; I445-L448 VanDerWaalsContact O-N 3.15Å; I445-I449 HydrophobicContact CG2-CD1 3.88Å; I445-I449 HydrophobicContact CG2-CG1 4.47Å; I445-I449 WeakPolarHBondContact O-CG1 3.25Å; I445-I449 PolarHBondContact O-N 3.11Å; I445-F472 HydrophobicContact CB-CZ 4.44Å; I445-F472 HydrophobicContact CD1-CD2 4.1Å; I445-F472 HydrophobicContact CD1-CE2 3.68Å; I445-F472 HydrophobicContact CD1-CZ 4.18Å; I445-F472 HydrophobicContact CG2-CD1 4.13Å; I445-F472 HydrophobicContact CG2-CE1 3.77Å; I445-F472 HydrophobicContact CG2-CE2 4.28Å; I445-F472 HydrophobicContact CG2-CZ 3.84Å |
| 446 | L | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.1 | -36.2 | 178.8 | -64.6 | -178.6 | 0 | 0 | 0 | 112.4 | L442 S443 I444 I449 C450 P485 L488 A489 T494 F505 V510 L514 | L442-L446 WeakPolarHBondContact O-CG 3.49Å; L442-L446 PolarHBondContact O-N 3.06Å; S443-L446 PolarHBondContact O-N 3.1Å; I444-L446 VanDerWaalsContact C-N 3.33Å; I444-L446 PolarHBondContact O-N 3.41Å; L446-I449 HydrophobicContact CD2-CD1 4.39Å; L446-I449 PolarHBondContact O-N 3.05Å; L446-C450 WeakPolarHBondContact O-CB 3.05Å; L446-C450 PolarHBondContact O-N 3.24Å; L446-P485 HydrophobicContact CD2-CB 4.34Å; L446-L488 HydrophobicContact CD1-CB 3.41Å; L446-L488 VanDerWaalsContact CD1-CB 3.41Å; L446-L488 HydrophobicContact CD1-CD1 4.5Å; L446-A489 HydrophobicContact CD1-CB 4.32Å; L446-T494 HydrophobicContact CD1-CG2 4.11Å; L446-F505 HydrophobicContact CB-CE1 4.03Å; L446-F505 HydrophobicContact CB-CZ 3.76Å; L446-V510 HydrophobicContact CD2-CG1 4.02Å; L446-L514 HydrophobicContact CD2-CD1 3.85Å; L446-L514 HydrophobicContact CD2-CD2 4.32Å |
| 447 | H | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.5 | -42.3 | 173.3 | -73 | 87.7 | 0 | 0 | 0 | 112.1 | S443 I444 I445 I449 C450 L451 T494 V497 V502 C503 F505 | S443-H447 PolarHBondContact O-N 3.43Å; S443-H447 VanDerWaalsContact O-N 3.09Å; S443-H447 PolarHBondContact O-ND1 3.29Å; I444-H447 WeakPolarHBondContact O-CB 3.44Å; I444-H447 PolarHBondContact O-N 2.94Å; I444-H447 VanDerWaalsContact O-N 3.17Å; I445-H447 VanDerWaalsContact C-N 3.28Å; I445-H447 PolarHBondContact O-N 3.49Å; H447-I449 VanDerWaalsContact C-N 3.33Å; H447-I449 PolarHBondContact O-N 3.37Å; H447-C450 WeakPolarHBondContact O-CB 3.46Å; H447-C450 PolarHBondContact O-N 3.38Å; H447-L451 VanDerWaalsContact O-CG 3.28Å; H447-L451 WeakPolarHBondContact O-CG 3.31Å; H447-L451 PolarHBondContact O-N 3.3Å; H447-T494 PolarHBondContact CE1-O 3Å; H447-V497 VanDerWaalsContact CE1-CG1 3.41Å; H447-V497 WeakPolarHBondContact CE1-CG1 3.24Å; H447-V502 HydrophobicContact CB-CB 4.41Å; H447-V502 HydrophobicContact CB-CG1 3.77Å; H447-V502 VanDerWaalsContact CD2-CB 3.47Å; H447-V502 WeakPolarHBondContact CD2-CB 3.48Å; H447-C503 PolarHBondContact CD2-N 3.27Å; H447-F505 AromaticContact CD2-CE2 3.72Å; H447-F505 AromaticContact CE1-CE2 3.7Å; H447-F505 AromaticContact CG-CE2 3.97Å; H447-F505 AromaticContact ND1-CE2 3.92Å; H447-F505 AromaticContact NE2-CD2 3.99Å; H447-F505 AromaticContact NE2-CE2 3.58Å |
| 448 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 175.4 | -67.6 | 169.4 | 0 | 0 | 0 | 111.5 | A387 F390 L411 I414 L415 S418 I444 I445 L451 L452 | A387-L448 HydrophobicContact CB-CD2 3.93Å; A387-L448 HydrophobicContact CB-CG 4.39Å; F390-L448 HydrophobicContact CD2-CD2 4.26Å; L411-L448 HydrophobicContact CD2-CD2 4.32Å; I414-L448 HydrophobicContact CG2-CD1 3.88Å; I414-L448 HydrophobicContact CG2-CD2 4.14Å; L415-L448 HydrophobicContact CD1-CB 4.34Å; S418-L448 VanDerWaalsContact OG-CD1 3.23Å; S418-L448 WeakPolarHBondContact OG-CD1 3.44Å; I444-L448 HydrophobicContact CG2-CD1 4.16Å; I444-L448 HydrophobicContact CG2-CG 4.46Å; I444-L448 WeakPolarHBondContact O-CG 3.36Å; I444-L448 PolarHBondContact O-N 3.31Å; I445-L448 PolarHBondContact O-N 2.95Å; I445-L448 VanDerWaalsContact O-N 3.15Å; L448-L451 PolarHBondContact O-N 3.47Å; L448-L452 WeakPolarHBondContact O-CG 3.3Å; L448-L452 PolarHBondContact O-N 3.41Å |
| 449 | I | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | 173 | -66.4 | 168 | 0 | 0 | 0 | 110.3 | L415 I445 L446 H447 L451 L452 E453 I469 V510 I513 L514 | L415-I449 HydrophobicContact CD1-CG1 4.07Å; L415-I449 HydrophobicContact CD2-CG1 4.25Å; I445-I449 HydrophobicContact CG2-CD1 3.88Å; I445-I449 HydrophobicContact CG2-CG1 4.47Å; I445-I449 WeakPolarHBondContact O-CG1 3.25Å; I445-I449 PolarHBondContact O-N 3.11Å; L446-I449 HydrophobicContact CD2-CD1 4.39Å; L446-I449 PolarHBondContact O-N 3.05Å; H447-I449 VanDerWaalsContact C-N 3.33Å; H447-I449 PolarHBondContact O-N 3.37Å; I449-L451 VanDerWaalsContact C-N 3.28Å; I449-L451 PolarHBondContact O-N 3.08Å; I449-L452 WeakPolarHBondContact O-CB 3.34Å; I449-L452 PolarHBondContact O-N 3.49Å; I449-L452 VanDerWaalsContact O-N 3.17Å; I449-E453 PolarHBondContact O-N 3.05Å; I449-E453 VanDerWaalsContact O-N 3.13Å; I449-I469 HydrophobicContact CD1-CD1 4.17Å; I449-I469 HydrophobicContact CD1-CG1 3.97Å; I449-I469 HydrophobicContact CG1-CD1 4.13Å; I449-I469 HydrophobicContact CG1-CG1 4.21Å; I449-I469 HydrophobicContact CG2-CD1 4.09Å; I449-V510 HydrophobicContact CG2-CG1 4.28Å; I449-V510 HydrophobicContact CG2-CG2 4.37Å; I449-I513 HydrophobicContact CG2-CG2 3.74Å; I449-L514 HydrophobicContact CD1-CD2 4.28Å |
| 450 | C | 98.2 | Very high | 96.8 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57 | -40.3 | 175.8 | 170 | 0 | 0 | 0 | 0 | 112.9 | L446 H447 C503 F505 V510 | L446-C450 WeakPolarHBondContact O-CB 3.05Å; L446-C450 PolarHBondContact O-N 3.24Å; H447-C450 WeakPolarHBondContact O-CB 3.46Å; H447-C450 PolarHBondContact O-N 3.38Å; C450-C503 HydrophobicContact CB-CB 3.71Å; C450-C503 WeakPolarHBondContact CB-SG 3.41Å; C450-C503 WeakPolarHBondContact SG-CB 3.34Å; C450-C503 CovalentContact SG-SG 2.04Å; C450-C503 PolarHBondContact SG-SG 3.47Å; C450-F505 HydrophobicContact CB-CZ 4.41Å; C450-V510 HydrophobicContact CB-CG2 3.6Å |
| 451 | L | 97.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.7 | -37.1 | 177.9 | -65.8 | 172.1 | 0 | 0 | 0 | 111.9 | A387 F390 L394 L411 H447 L448 I449 E453 K454 V502 | A387-L451 HydrophobicContact CB-CD1 4.46Å; A387-L451 WeakPolarHBondContact O-CD1 3.47Å; F390-L451 HydrophobicContact CB-CD1 4.01Å; L394-L451 HydrophobicContact CD1-CB 4.3Å; L394-L451 HydrophobicContact CD1-CD2 4Å; L411-L451 HydrophobicContact CD1-CB 4.41Å; L411-L451 HydrophobicContact CD2-CB 3.69Å; L411-L451 HydrophobicContact CD2-CD1 4.13Å; H447-L451 VanDerWaalsContact O-CG 3.28Å; H447-L451 WeakPolarHBondContact O-CG 3.31Å; H447-L451 PolarHBondContact O-N 3.3Å; L448-L451 PolarHBondContact O-N 3.47Å; I449-L451 VanDerWaalsContact C-N 3.28Å; I449-L451 PolarHBondContact O-N 3.08Å; L451-E453 VanDerWaalsContact C-N 3.3Å; L451-E453 PolarHBondContact O-N 3.39Å; L451-K454 WeakPolarHBondContact O-CB 3.46Å; L451-K454 PolarHBondContact O-N 2.87Å; L451-V502 HydrophobicContact CD1-CG1 3.8Å; L451-V502 HydrophobicContact CD2-CG1 4.33Å; L451-V502 HydrophobicContact CG-CG1 4.21Å |
| 452 | L | 97.1 | Very high | 97 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.5 | -37.8 | 174.7 | -82.3 | 164.3 | 0 | 0 | 0 | 112.4 | F408 L411 M412 L415 L448 I449 K454 V455 K465 | F408-L452 HydrophobicContact CD2-CD2 3.72Å; F408-L452 HydrophobicContact CE2-CD2 3.79Å; F408-L452 HydrophobicContact CG-CD2 4.47Å; L411-L452 HydrophobicContact CB-CD2 3.49Å; L411-L452 VanDerWaalsContact CB-CD2 3.49Å; L411-L452 HydrophobicContact CB-CG 3.87Å; L411-L452 HydrophobicContact CD1-CD2 4.3Å; L411-L452 HydrophobicContact CG-CD2 4.47Å; M412-L452 HydrophobicContact CB-CD2 4.44Å; M412-L452 HydrophobicContact SD-CD1 4.24Å; L415-L452 HydrophobicContact CB-CD1 4.27Å; L415-L452 HydrophobicContact CD2-CD1 3.51Å; L415-L452 HydrophobicContact CG-CD1 4.48Å; L448-L452 WeakPolarHBondContact O-CG 3.3Å; L448-L452 PolarHBondContact O-N 3.41Å; I449-L452 WeakPolarHBondContact O-CB 3.34Å; I449-L452 PolarHBondContact O-N 3.49Å; I449-L452 VanDerWaalsContact O-N 3.17Å; L452-K454 PolarHBondContact O-N 3.22Å; L452-K454 VanDerWaalsContact O-N 3.12Å; L452-V455 PolarHBondContact O-N 3.04Å; L452-V455 VanDerWaalsContact O-N 3.1Å; L452-K465 HydrophobicContact CB-CD 4.22Å; L452-K465 HydrophobicContact CD1-CG 4.47Å |
| 453 | E | 95.2 | Very high | 97 | Very high | 75 Ų | 75 | 45.7 Ų | 45.7 | 35% | 0.35 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -13.3 | 175.7 | -66.3 | -58.2 | 100.6 | 0 | 0 | 113.5 | I449 L451 K465 I513 | I449-E453 PolarHBondContact O-N 3.05Å; I449-E453 VanDerWaalsContact O-N 3.13Å; L451-E453 VanDerWaalsContact C-N 3.3Å; L451-E453 PolarHBondContact O-N 3.39Å; E453-K465 IonicContact OE1-NZ 3.84Å; E453-K465 PolarHBondContact OE1-NZ 3.48Å; E453-I513 WeakPolarHBondContact OE1-CD1 3.47Å |
| 454 | K | 93.1 | Very high | 97 | Very high | 117 Ų | 117 | 49.7 Ų | 49.7 | 51% | 0.509 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -2.1 | 177.5 | -60.3 | 174.7 | -175.1 | 175.9 | 0 | 113.2 | L394 L451 L452 C503 | L394-K454 HydrophobicContact CD1-CB 4.3Å; L451-K454 WeakPolarHBondContact O-CB 3.46Å; L451-K454 PolarHBondContact O-N 2.87Å; L452-K454 PolarHBondContact O-N 3.22Å; L452-K454 VanDerWaalsContact O-N 3.12Å; K454-C503 PolarHBondContact NZ-SG 3.19Å |
| 455 | V | 93.2 | Very high | 97 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -113.5 | 133.9 | -176.2 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | L394 F408 L411 L452 C457 | L394-V455 HydrophobicContact CD1-CG2 4.07Å; L394-V455 HydrophobicContact CD2-CG2 3.69Å; L394-V455 HydrophobicContact CG-CG2 4.49Å; F408-V455 HydrophobicContact CB-CG1 4.28Å; L411-V455 HydrophobicContact CD1-CB 4.38Å; L411-V455 HydrophobicContact CD1-CG2 3.59Å; L452-V455 PolarHBondContact O-N 3.04Å; L452-V455 VanDerWaalsContact O-N 3.1Å; V455-C457 PolarHBondContact O-N 3.18Å |
| 456 | P | 92.1 | Very high | 97 | Very high | 94 Ų | 94 | 52.2 Ų | 52.2 | 61% | 0.61 | 27% | 0.265 | S | S | * | . | trans | -62.7 | 138.2 | 175.8 | 27.2 | -35.2 | 0 | 0 | 0 | 110.6 | ||||
| 457 | C | 94.9 | Very high | 97 | Very high | 47 Ų | 47 | 57 Ų | 57 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | trans | -137 | 153.1 | 177 | 65.3 | 0 | 0 | 0 | 0 | 111.2 | F408 V455 Q461 | F408-C457 HydrophobicContact CD2-CB 3.51Å; F408-C457 HydrophobicContact CE2-CB 3.84Å; F408-C457 HydrophobicContact CG-CB 4.16Å; V455-C457 PolarHBondContact O-N 3.18Å; C457-Q461 HydrophobicContact CB-CB 3.84Å | ||
| 458 | T | 97.5 | Very high | 97 | Very high | 79 Ų | 79 | 57.1 Ų | 57.1 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | trans | -73.4 | 168 | 170.6 | 66.6 | 0 | 0 | 0 | 0 | 110.8 | E460 Q461 D462 | T458-E460 VanDerWaalsContact C-N 3.27Å; T458-E460 PolarHBondContact O-N 3.38Å; T458-Q461 PolarHBondContact O-N 3.23Å; T458-Q461 WeakPolarHBondContact OG1-CB 3.41Å; T458-Q461 WeakPolarHBondContact OG1-CG 3.5Å; T458-Q461 PolarHBondContact OG1-N 3.37Å; T458-Q461 VanDerWaalsContact OG1-N 3.16Å; T458-Q461 PolarHBondContact OG1-OE1 3.37Å; T458-D462 PolarHBondContact O-N 3.16Å | ||
| 459 | L | 97.4 | Very high | 97 | Very high | 160 Ų | 160 | 57.1 Ų | 57.1 | 84% | 0.838 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60 | -38 | 174.4 | -67.5 | 174.7 | 0 | 0 | 0 | 112.3 | D462 H463 | L459-D462 PolarHBondContact O-N 3.19Å; L459-H463 WeakPolarHBondContact O-CB 3.42Å; L459-H463 PolarHBondContact O-N 3.35Å |
| 460 | E | 98 | Very high | 97 | Very high | 162 Ų | 162 | 63 Ų | 63 | 76% | 0.757 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.7 | -43.4 | 176.7 | -174.6 | 178.2 | -176.9 | 0 | 0 | 111.6 | T458 H463 F464 | T458-E460 VanDerWaalsContact C-N 3.27Å; T458-E460 PolarHBondContact O-N 3.38Å; E460-H463 PolarHBondContact O-N 2.85Å; E460-F464 PolarHBondContact O-N 2.83Å |
| 461 | Q | 98.2 | Very high | 97 | Very high | 43 Ų | 43 | 67.4 Ų | 67.4 | 20% | 0.201 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 174.8 | -77.2 | 175.8 | -30.3 | 0 | 0 | 111.8 | F408 D409 C457 T458 H463 F464 K465 | F408-Q461 HydrophobicContact CD1-CB 3.77Å; F408-Q461 VanDerWaalsContact CD1-CD 3.45Å; F408-Q461 HydrophobicContact CD1-CG 3.55Å; F408-Q461 HydrophobicContact CD2-CB 4.32Å; F408-Q461 HydrophobicContact CE1-CB 3.48Å; F408-Q461 VanDerWaalsContact CE1-CB 3.48Å; F408-Q461 HydrophobicContact CE1-CG 3.57Å; F408-Q461 HydrophobicContact CE2-CB 4.04Å; F408-Q461 HydrophobicContact CG-CB 4.19Å; F408-Q461 HydrophobicContact CG-CG 4.23Å; F408-Q461 HydrophobicContact CZ-CB 3.63Å; F408-Q461 HydrophobicContact CZ-CG 4.25Å; F408-Q461 WeakPolarHBondContact CZ-O 3.45Å; D409-Q461 PolarHBondContact OD1-NE2 2.9Å; C457-Q461 HydrophobicContact CB-CB 3.84Å; T458-Q461 PolarHBondContact O-N 3.23Å; T458-Q461 WeakPolarHBondContact OG1-CB 3.41Å; T458-Q461 WeakPolarHBondContact OG1-CG 3.5Å; T458-Q461 PolarHBondContact OG1-N 3.37Å; T458-Q461 VanDerWaalsContact OG1-N 3.16Å; T458-Q461 PolarHBondContact OG1-OE1 3.37Å; Q461-H463 VanDerWaalsContact C-N 3.33Å; Q461-H463 PolarHBondContact O-N 3.09Å; Q461-F464 PolarHBondContact O-N 3.45Å; Q461-K465 WeakPolarHBondContact O-CB 3.45Å; Q461-K465 PolarHBondContact O-N 3.23Å |
| 462 | D | 98 | Very high | 97.1 | Very high | 36 Ų | 36 | 67.4 Ų | 67.4 | 19% | 0.193 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 175.3 | -173 | 63.2 | 0 | 0 | 0 | 111.5 | T458 L459 F464 K465 K466 | T458-D462 PolarHBondContact O-N 3.16Å; L459-D462 PolarHBondContact O-N 3.19Å; D462-F464 PolarHBondContact O-N 3.2Å; D462-K465 WeakPolarHBondContact O-CB 3.46Å; D462-K465 PolarHBondContact O-N 3.34Å; D462-K465 WeakPolarHBondContact OD1-CE 3.48Å; D462-K465 IonicContact OD1-NZ 2.75Å; D462-K465 PolarHBondContact OD1-NZ 3.34Å; D462-K466 WeakPolarHBondContact O-CG 3.29Å; D462-K466 PolarHBondContact O-N 3.06Å; D462-K466 WeakPolarHBondContact OD2-CE 3.41Å; D462-K466 IonicContact OD2-NZ 2.75Å; D462-K466 PolarHBondContact OD2-NZ 3.27Å |
| 463 | H | 98.1 | Very high | 97.1 | Very high | 112 Ų | 112 | 68.3 Ų | 68.3 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 175.1 | -172.8 | 69.7 | 0 | 0 | 0 | 111.9 | L459 E460 Q461 K465 K466 Q467 | L459-H463 WeakPolarHBondContact O-CB 3.42Å; L459-H463 PolarHBondContact O-N 3.35Å; E460-H463 PolarHBondContact O-N 2.85Å; Q461-H463 VanDerWaalsContact C-N 3.33Å; Q461-H463 PolarHBondContact O-N 3.09Å; H463-K465 PolarHBondContact O-N 2.64Å; H463-K466 PolarHBondContact O-N 3.19Å; H463-Q467 PolarHBondContact CD2-NE2 3.44Å; H463-Q467 VanDerWaalsContact CD2-NE2 3.32Å; H463-Q467 PolarHBondContact NE2-NE2 2.93Å; H463-Q467 WeakPolarHBondContact O-CG 3.43Å; H463-Q467 PolarHBondContact O-N 3.08Å |
| 464 | F | 98.4 | Very high | 97.2 | Very high | 91 Ų | 91 | 71.1 Ų | 71.1 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 178.1 | 178.5 | -124.2 | 0 | 0 | 0 | 113 | M412 E460 Q461 D462 Q467 T468 | M412-F464 HydrophobicContact CE-CD1 4.13Å; M412-F464 HydrophobicContact CE-CE1 3.84Å; M412-F464 HydrophobicContact CE-CZ 4.29Å; M412-F464 HydrophobicContact CG-CD1 3.71Å; M412-F464 HydrophobicContact CG-CE1 3.49Å; M412-F464 VanDerWaalsContact CG-CE1 3.49Å; M412-F464 HydrophobicContact SD-CD1 4.2Å; M412-F464 HydrophobicContact SD-CE1 4.27Å; E460-F464 PolarHBondContact O-N 2.83Å; Q461-F464 PolarHBondContact O-N 3.45Å; D462-F464 PolarHBondContact O-N 3.2Å; F464-Q467 PolarHBondContact O-N 3.16Å; F464-T468 PolarHBondContact O-N 3.42Å; F464-T468 PolarHBondContact O-OG1 3.17Å |
| 465 | K | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 67.7 Ų | 67.7 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.6 | -51.8 | 171.3 | 173.7 | -174 | 62 | 178 | 0 | 110.5 | F408 M412 L452 E453 Q461 D462 H463 Q467 T468 I469 I513 | F408-K465 HydrophobicContact CE2-CB 4.21Å; F408-K465 HydrophobicContact CE2-CD 4.48Å; F408-K465 HydrophobicContact CZ-CB 4.05Å; M412-K465 HydrophobicContact SD-CB 4.11Å; L452-K465 HydrophobicContact CB-CD 4.22Å; L452-K465 HydrophobicContact CD1-CG 4.47Å; E453-K465 IonicContact OE1-NZ 3.84Å; E453-K465 PolarHBondContact OE1-NZ 3.48Å; Q461-K465 WeakPolarHBondContact O-CB 3.45Å; Q461-K465 PolarHBondContact O-N 3.23Å; D462-K465 WeakPolarHBondContact O-CB 3.46Å; D462-K465 PolarHBondContact O-N 3.34Å; D462-K465 WeakPolarHBondContact OD1-CE 3.48Å; D462-K465 IonicContact OD1-NZ 2.75Å; D462-K465 PolarHBondContact OD1-NZ 3.34Å; H463-K465 PolarHBondContact O-N 2.64Å; K465-Q467 PolarHBondContact O-N 2.95Å; K465-T468 PolarHBondContact O-N 2.89Å; K465-T468 VanDerWaalsContact O-N 3.16Å; K465-I469 HydrophobicContact CG-CD1 3.9Å; K465-I469 WeakPolarHBondContact O-CG1 3.22Å; K465-I469 PolarHBondContact O-N 2.99Å; K465-I513 HydrophobicContact CD-CD1 3.97Å; K465-I513 HydrophobicContact CG-CD1 4.39Å |
| 466 | K | 98.6 | Very high | 97.4 | Very high | 49 Ų | 49 | 73.5 Ų | 73.5 | 21% | 0.213 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 180 | -71.8 | 175.1 | 179.2 | 171.2 | 0 | 112.7 | D462 H463 T468 I469 Y470 I513 E516 | D462-K466 WeakPolarHBondContact O-CG 3.29Å; D462-K466 PolarHBondContact O-N 3.06Å; D462-K466 WeakPolarHBondContact OD2-CE 3.41Å; D462-K466 IonicContact OD2-NZ 2.75Å; D462-K466 PolarHBondContact OD2-NZ 3.27Å; H463-K466 PolarHBondContact O-N 3.19Å; K466-T468 VanDerWaalsContact C-N 3.31Å; K466-T468 PolarHBondContact O-N 3.09Å; K466-I469 PolarHBondContact O-N 3.26Å; K466-Y470 WeakPolarHBondContact O-CB 3.42Å; K466-Y470 PolarHBondContact O-N 2.89Å; K466-I513 HydrophobicContact CG-CD1 4.5Å; K466-E516 VanDerWaalsContact CE-CD 3.44Å; K466-E516 WeakPolarHBondContact CE-OE1 3.3Å; K466-E516 VanDerWaalsContact CE-OE2 3.26Å; K466-E516 WeakPolarHBondContact CE-OE2 3.3Å; K466-E516 VanDerWaalsContact NZ-CD 3.32Å; K466-E516 IonicContact NZ-OE1 3.48Å; K466-E516 PolarHBondContact NZ-OE1 2.96Å; K466-E516 IonicContact NZ-OE2 2.67Å; K466-E516 PolarHBondContact NZ-OE2 3.35Å |
| 467 | Q | 98.4 | Very high | 97.5 | Very high | 100 Ų | 100 | 69.2 Ų | 69.2 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59 | -42.1 | 173.3 | -74.7 | -175.9 | -9.6 | 0 | 0 | 112.3 | H463 F464 K465 Y470 R471 | H463-Q467 PolarHBondContact CD2-NE2 3.44Å; H463-Q467 VanDerWaalsContact CD2-NE2 3.32Å; H463-Q467 PolarHBondContact NE2-NE2 2.93Å; H463-Q467 WeakPolarHBondContact O-CG 3.43Å; H463-Q467 PolarHBondContact O-N 3.08Å; F464-Q467 PolarHBondContact O-N 3.16Å; K465-Q467 PolarHBondContact O-N 2.95Å; Q467-Y470 PolarHBondContact O-N 3.28Å; Q467-R471 WeakPolarHBondContact O-CB 3.46Å; Q467-R471 PolarHBondContact O-N 3.04Å |
| 468 | T | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.4 | -40.9 | 179.2 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | M412 L415 V419 F464 K465 K466 R471 F472 | M412-T468 VanDerWaalsContact CE-CB 3.45Å; M412-T468 HydrophobicContact CE-CG2 3.6Å; M412-T468 WeakPolarHBondContact CE-OG1 3.26Å; L415-T468 HydrophobicContact CD2-CG2 4.39Å; L415-T468 HydrophobicContact CG-CG2 4.31Å; V419-T468 HydrophobicContact CG2-CG2 4.12Å; F464-T468 PolarHBondContact O-N 3.42Å; F464-T468 PolarHBondContact O-OG1 3.17Å; K465-T468 PolarHBondContact O-N 2.89Å; K465-T468 VanDerWaalsContact O-N 3.16Å; K466-T468 VanDerWaalsContact C-N 3.31Å; K466-T468 PolarHBondContact O-N 3.09Å; T468-R471 PolarHBondContact O-N 2.65Å; T468-F472 WeakPolarHBondContact O-CB 3.46Å; T468-F472 PolarHBondContact O-N 3.43Å |
| 469 | I | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 175.2 | -64.5 | 169.7 | 0 | 0 | 0 | 110.6 | I449 K465 K466 R471 F472 L473 I513 L514 C517 | I449-I469 HydrophobicContact CD1-CD1 4.17Å; I449-I469 HydrophobicContact CD1-CG1 3.97Å; I449-I469 HydrophobicContact CG1-CD1 4.13Å; I449-I469 HydrophobicContact CG1-CG1 4.21Å; I449-I469 HydrophobicContact CG2-CD1 4.09Å; K465-I469 HydrophobicContact CG-CD1 3.9Å; K465-I469 WeakPolarHBondContact O-CG1 3.22Å; K465-I469 PolarHBondContact O-N 2.99Å; K466-I469 PolarHBondContact O-N 3.26Å; I469-R471 VanDerWaalsContact C-N 3.35Å; I469-R471 PolarHBondContact O-N 2.89Å; I469-F472 WeakPolarHBondContact O-CB 3.43Å; I469-F472 PolarHBondContact O-N 2.92Å; I469-L473 HydrophobicContact CG2-CD1 3.95Å; I469-L473 HydrophobicContact CG2-CG 4.38Å; I469-L473 WeakPolarHBondContact O-CG 3.37Å; I469-L473 PolarHBondContact O-N 2.9Å; I469-I513 HydrophobicContact CD1-CD1 3.62Å; I469-I513 HydrophobicContact CD1-CG1 3.9Å; I469-L514 HydrophobicContact CG2-CD2 3.86Å; I469-C517 HydrophobicContact CB-CB 4.09Å; I469-C517 HydrophobicContact CG2-CB 3.56Å |
| 470 | Y | 98.6 | Very high | 97 | Very high | 123 Ų | 123 | 65.1 Ų | 65.1 | 48% | 0.482 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 173.8 | 173.9 | -96.2 | 0 | 0 | 0 | 111.5 | K466 Q467 F472 L473 K474 C517 | K466-Y470 WeakPolarHBondContact O-CB 3.42Å; K466-Y470 PolarHBondContact O-N 2.89Å; Q467-Y470 PolarHBondContact O-N 3.28Å; Y470-F472 VanDerWaalsContact C-N 3.31Å; Y470-F472 PolarHBondContact O-N 3.1Å; Y470-L473 PolarHBondContact O-N 3.29Å; Y470-K474 HydrophobicContact CE1-CD 4.17Å; Y470-K474 WeakPolarHBondContact O-CB 3.41Å; Y470-K474 PolarHBondContact O-N 3.44Å; Y470-C517 WeakPolarHBondContact CD2-O 3.42Å |
| 471 | R | 98.2 | Very high | 96.7 | Very high | 104 Ų | 104 | 61.2 Ų | 61.2 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 176.2 | -169.4 | 177.6 | 85.6 | -159 | 4.5 | 111.4 | E423 Q467 T468 I469 K474 | E423-R471 IonicContact OE1-CZ 2.81Å; E423-R471 VanDerWaalsContact OE1-CZ 3.28Å; E423-R471 IonicContact OE1-NE 3.71Å; E423-R471 PolarHBondContact OE1-NE 2.71Å; E423-R471 IonicContact OE1-NH2 3.53Å; E423-R471 PolarHBondContact OE1-NH2 2.9Å; Q467-R471 WeakPolarHBondContact O-CB 3.46Å; Q467-R471 PolarHBondContact O-N 3.04Å; T468-R471 PolarHBondContact O-N 2.65Å; I469-R471 VanDerWaalsContact C-N 3.35Å; I469-R471 PolarHBondContact O-N 2.89Å; R471-K474 PolarHBondContact O-N 3.31Å |
| 472 | F | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 174.5 | 163.8 | -120.2 | 0 | 0 | 0 | 112.6 | V419 I422 L442 I445 T468 I469 Y470 K474 L475 P477 P485 | V419-F472 HydrophobicContact CB-CB 4.5Å; V419-F472 HydrophobicContact CG1-CB 3.88Å; V419-F472 HydrophobicContact CG2-CB 3.78Å; V419-F472 HydrophobicContact CG2-CD2 4.35Å; V419-F472 HydrophobicContact CG2-CG 4.2Å; I422-F472 HydrophobicContact CG1-CE2 4.25Å; L442-F472 HydrophobicContact CD2-CE2 3.51Å; L442-F472 HydrophobicContact CD2-CZ 3.65Å; I445-F472 HydrophobicContact CB-CZ 4.44Å; I445-F472 HydrophobicContact CD1-CD2 4.1Å; I445-F472 HydrophobicContact CD1-CE2 3.68Å; I445-F472 HydrophobicContact CD1-CZ 4.18Å; I445-F472 HydrophobicContact CG2-CD1 4.13Å; I445-F472 HydrophobicContact CG2-CE1 3.77Å; I445-F472 HydrophobicContact CG2-CE2 4.28Å; I445-F472 HydrophobicContact CG2-CZ 3.84Å; T468-F472 WeakPolarHBondContact O-CB 3.46Å; T468-F472 PolarHBondContact O-N 3.43Å; I469-F472 WeakPolarHBondContact O-CB 3.43Å; I469-F472 PolarHBondContact O-N 2.92Å; Y470-F472 VanDerWaalsContact C-N 3.31Å; Y470-F472 PolarHBondContact O-N 3.1Å; F472-K474 VanDerWaalsContact C-N 3.34Å; F472-K474 PolarHBondContact O-N 3.36Å; F472-L475 WeakPolarHBondContact O-CB 3.28Å; F472-L475 PolarHBondContact O-N 3.23Å; F472-P477 HydrophobicContact CD2-CG 4.3Å; F472-P477 HydrophobicContact CE2-CG 3.7Å; F472-P477 HydrophobicContact CZ-CG 4.1Å; F472-P485 HydrophobicContact CE1-CB 3.8Å; F472-P485 HydrophobicContact CE1-CG 3.71Å; F472-P485 HydrophobicContact CE2-CG 4.43Å; F472-P485 HydrophobicContact CZ-CB 3.98Å; F472-P485 HydrophobicContact CZ-CG 3.52Å |
| 473 | L | 98.3 | Very high | 96.5 | Very high | 20 Ų | 20 | 61.7 Ų | 61.7 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.5 | -35.2 | -179.7 | -72 | 170.6 | 0 | 0 | 0 | 112.7 | I469 Y470 L475 H476 P485 L514 C517 A519 | I469-L473 HydrophobicContact CG2-CD1 3.95Å; I469-L473 HydrophobicContact CG2-CG 4.38Å; I469-L473 WeakPolarHBondContact O-CG 3.37Å; I469-L473 PolarHBondContact O-N 2.9Å; Y470-L473 PolarHBondContact O-N 3.29Å; L473-L475 PolarHBondContact O-N 3.13Å; L473-H476 PolarHBondContact O-N 3.47Å; L473-P485 HydrophobicContact CD2-CB 4.05Å; L473-P485 HydrophobicContact CD2-CG 4.07Å; L473-L514 HydrophobicContact CD1-CD2 4.29Å; L473-L514 WeakPolarHBondContact CD1-O 3.49Å; L473-L514 HydrophobicContact CD2-CD2 4.22Å; L473-C517 HydrophobicContact CD1-CB 3.88Å; L473-C517 WeakPolarHBondContact CD1-O 3.36Å; L473-A519 HydrophobicContact CD1-CB 3.98Å; L473-A519 HydrophobicContact CD2-CB 4.09Å |
| 474 | K | 97.3 | Very high | 96.5 | Very high | 134 Ų | 134 | 56.6 Ų | 56.6 | 58% | 0.583 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.9 | -18.6 | 177.1 | -170.6 | 173.7 | -179.4 | 176.4 | 0 | 113.6 | Y470 R471 F472 H476 | Y470-K474 HydrophobicContact CE1-CD 4.17Å; Y470-K474 WeakPolarHBondContact O-CB 3.41Å; Y470-K474 PolarHBondContact O-N 3.44Å; R471-K474 PolarHBondContact O-N 3.31Å; F472-K474 VanDerWaalsContact C-N 3.34Å; F472-K474 PolarHBondContact O-N 3.36Å; K474-H476 PolarHBondContact O-CD2 3.49Å; K474-H476 PolarHBondContact O-N 2.85Å |
| 475 | L | 95.8 | Very high | 96.4 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 24% | 0.236 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9.2 | 172.2 | -59.4 | 171.1 | 0 | 0 | 0 | 112.7 | V419 I422 E423 I426 F472 L473 P477 | V419-L475 HydrophobicContact CG1-CD1 4.48Å; I422-L475 HydrophobicContact CB-CD1 4.2Å; I422-L475 HydrophobicContact CG2-CD1 3.84Å; E423-L475 HydrophobicContact CB-CD1 4.47Å; E423-L475 HydrophobicContact CG-CD1 3.49Å; E423-L475 VanDerWaalsContact CG-CD1 3.49Å; E423-L475 HydrophobicContact CG-CD2 4Å; E423-L475 HydrophobicContact CG-CG 4.35Å; I426-L475 HydrophobicContact CD1-CB 3.62Å; I426-L475 HydrophobicContact CD1-CD1 4.48Å; I426-L475 HydrophobicContact CD1-CG 4.42Å; F472-L475 WeakPolarHBondContact O-CB 3.28Å; F472-L475 PolarHBondContact O-N 3.23Å; L473-L475 PolarHBondContact O-N 3.13Å; L475-P477 VanDerWaalsContact C-CD 3.46Å; L475-P477 VanDerWaalsContact C-N 3.32Å |
| 476 | H | 95 | Very high | 96.5 | Very high | 133 Ų | 133 | 52.3 Ų | 52.3 | 62% | 0.616 | 24% | 0.237 | S | C | * | . | trans | 47.3 | 46.5 | -174.9 | -56.7 | -69 | 0 | 0 | 0 | 113.8 | L473 K474 R478 | L473-H476 PolarHBondContact O-N 3.47Å; K474-H476 PolarHBondContact O-CD2 3.49Å; K474-H476 PolarHBondContact O-N 2.85Å; H476-R478 PolarHBondContact O-NH1 2.82Å; H476-R478 VanDerWaalsContact O-NH1 3.15Å | ||
| 477 | P | 94.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | trans | -65.1 | 148.2 | -175.4 | 29.6 | -34.7 | 0 | 0 | 0 | 111.3 | I422 L442 F472 L475 P485 | I422-P477 HydrophobicContact CG2-CB 4.04Å; L442-P477 HydrophobicContact CD1-CB 4.19Å; L442-P477 HydrophobicContact CD2-CB 3.61Å; L442-P477 HydrophobicContact CD2-CG 3.8Å; F472-P477 HydrophobicContact CD2-CG 4.3Å; F472-P477 HydrophobicContact CE2-CG 3.7Å; F472-P477 HydrophobicContact CZ-CG 4.1Å; L475-P477 VanDerWaalsContact C-CD 3.46Å; L475-P477 VanDerWaalsContact C-N 3.32Å; P477-P485 HydrophobicContact CG-CG 3.74Å | ||
| 478 | R | 93.9 | Very high | 96.4 | Very high | 75 Ų | 75 | 45.4 Ų | 45.4 | 28% | 0.283 | 21% | 0.205 | S | C | . | . | trans | -134.1 | 118.3 | -178.9 | -66 | -64.8 | -173.5 | -82.5 | -3.1 | 110.1 | L438 H476 N482 F483 | L438-R478 WeakPolarHBondContact CD2-O 3.49Å; H476-R478 PolarHBondContact O-NH1 2.82Å; H476-R478 VanDerWaalsContact O-NH1 3.15Å; R478-N482 VanDerWaalsContact CB-OD1 3.26Å; R478-N482 WeakPolarHBondContact CB-OD1 3.46Å; R478-N482 WeakPolarHBondContact CD-O 3.33Å; R478-N482 VanDerWaalsContact CD-OD1 3.22Å; R478-N482 WeakPolarHBondContact CD-OD1 3.36Å; R478-N482 WeakPolarHBondContact CG-OD1 3.45Å; R478-F483 CarbonylContact C-O 3.46Å; R478-F483 WeakPolarHBondContact CA-O 3.46Å | ||
| 479 | G | 92.1 | Very high | 96.4 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 6% | 0.062 | 20% | 0.204 | C | C | . | . | trans | -86.5 | -150 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | N482 F483 | G479-N482 PolarHBondContact O-N 2.91Å; G479-F483 PolarHBondContact N-O 3.35Å | ||
| 480 | K | 91.9 | Very high | 96.4 | Very high | 119 Ų | 119 | 45.2 Ų | 45.2 | 52% | 0.517 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -61.3 | 144.7 | 175.1 | -175 | -179.8 | 176.4 | -174.4 | 0 | 109.5 | N439 N482 F483 | N439-K480 HydrophobicContact CB-CB 4.01Å; N439-K480 WeakPolarHBondContact OD1-CB 3.15Å; N439-K480 PolarHBondContact OD1-N 3.18Å; K480-N482 PolarHBondContact O-N 2.96Å; K480-N482 VanDerWaalsContact O-N 3.11Å; K480-F483 WeakPolarHBondContact O-CB 3.17Å; K480-F483 PolarHBondContact O-N 3.07Å |
| 481 | N | 92.1 | Very high | 96.3 | Very high | 80 Ų | 80 | 40.1 Ų | 40.1 | 43% | 0.428 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | 55.7 | 23.5 | -176.3 | -62 | 0.4 | 0 | 0 | 0 | 114 | F483 D525 S526 | N481-F483 HydrophobicContact CB-CD1 3.83Å; N481-F483 HydrophobicContact CB-CE1 3.88Å; N481-F483 PolarHBondContact O-N 3.36Å; N481-D525 WeakPolarHBondContact O-CB 3.38Å; N481-S526 PolarHBondContact O-N 3.37Å; N481-S526 PolarHBondContact O-OG 2.91Å |
| 482 | N | 94.5 | Very high | 96.2 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | 63.1 | 26.3 | -174.9 | -154.6 | 31.2 | 0 | 0 | 0 | 113.2 | R478 G479 K480 S484 S526 | R478-N482 VanDerWaalsContact CB-OD1 3.26Å; R478-N482 WeakPolarHBondContact CB-OD1 3.46Å; R478-N482 WeakPolarHBondContact CD-O 3.33Å; R478-N482 VanDerWaalsContact CD-OD1 3.22Å; R478-N482 WeakPolarHBondContact CD-OD1 3.36Å; R478-N482 WeakPolarHBondContact CG-OD1 3.45Å; G479-N482 PolarHBondContact O-N 2.91Å; K480-N482 PolarHBondContact O-N 2.96Å; K480-N482 VanDerWaalsContact O-N 3.11Å; N482-S484 PolarHBondContact O-N 2.8Å; N482-S526 WeakPolarHBondContact CB-OG 3.23Å |
| 483 | F | 96.7 | Very high | 96 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 10% | 0.096 | 22% | 0.218 | C | C | . | . | trans | -65.5 | 130.3 | 177.9 | -85 | 28.8 | 0 | 0 | 0 | 110.9 | R478 G479 K480 N481 H487 L488 D491 D525 I534 | R478-F483 CarbonylContact C-O 3.46Å; R478-F483 WeakPolarHBondContact CA-O 3.46Å; G479-F483 PolarHBondContact N-O 3.35Å; K480-F483 WeakPolarHBondContact O-CB 3.17Å; K480-F483 PolarHBondContact O-N 3.07Å; N481-F483 HydrophobicContact CB-CD1 3.83Å; N481-F483 HydrophobicContact CB-CE1 3.88Å; N481-F483 PolarHBondContact O-N 3.36Å; F483-H487 HydrophobicContact CB-CB 3.9Å; F483-H487 HydrophobicContact CD1-CB 4.36Å; F483-H487 HydrophobicContact CD2-CB 3.74Å; F483-H487 HydrophobicContact CE2-CB 4.33Å; F483-H487 HydrophobicContact CG-CB 3.76Å; F483-L488 HydrophobicContact CB-CD2 4.19Å; F483-L488 HydrophobicContact CB-CG 4.06Å; F483-L488 HydrophobicContact CD2-CD2 3.83Å; F483-L488 HydrophobicContact CD2-CG 4.24Å; F483-L488 HydrophobicContact CG-CD2 4.5Å; F483-D491 HydrophobicContact CE2-CB 4.17Å; F483-D525 HydrophobicContact CD1-CB 3.85Å; F483-D525 HydrophobicContact CE1-CB 4Å; F483-D525 VanDerWaalsContact CE1-OD2 3.23Å; F483-D525 WeakPolarHBondContact CE1-OD2 3.37Å; F483-I534 HydrophobicContact CZ-CD1 4.05Å; F483-I534 HydrophobicContact CZ-CG1 4.36Å | ||
| 484 | S | 97.6 | Very high | 95.9 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | trans | -77.8 | 166.2 | 167.5 | 72.9 | 0 | 0 | 0 | 0 | 110.8 | N482 L486 H487 L488 V523 | N482-S484 PolarHBondContact O-N 2.8Å; S484-L486 PolarHBondContact O-N 3.38Å; S484-L486 VanDerWaalsContact O-N 3.16Å; S484-L486 PolarHBondContact OG-N 3.1Å; S484-H487 PolarHBondContact N-ND1 3.01Å; S484-H487 WeakPolarHBondContact O-CB 3.48Å; S484-H487 PolarHBondContact O-N 2.84Å; S484-H487 VanDerWaalsContact O-N 3.09Å; S484-H487 PolarHBondContact OG-N 3.44Å; S484-H487 PolarHBondContact OG-ND1 3.28Å; S484-L488 PolarHBondContact O-N 3.5Å; S484-V523 WeakPolarHBondContact OG-CG1 3.27Å | ||
| 485 | P | 98.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.4 | -32.4 | 171.6 | -28.7 | 37.4 | 0 | 0 | 0 | 113.4 | L446 F472 L473 P477 L488 A489 L514 | L446-P485 HydrophobicContact CD2-CB 4.34Å; F472-P485 HydrophobicContact CE1-CB 3.8Å; F472-P485 HydrophobicContact CE1-CG 3.71Å; F472-P485 HydrophobicContact CE2-CG 4.43Å; F472-P485 HydrophobicContact CZ-CB 3.98Å; F472-P485 HydrophobicContact CZ-CG 3.52Å; L473-P485 HydrophobicContact CD2-CB 4.05Å; L473-P485 HydrophobicContact CD2-CG 4.07Å; P477-P485 HydrophobicContact CG-CG 3.74Å; P485-L488 PolarHBondContact O-N 3.48Å; P485-A489 WeakPolarHBondContact O-CB 3.43Å; P485-A489 PolarHBondContact O-N 3.41Å; P485-L514 HydrophobicContact CB-CD1 4.47Å |
| 486 | L | 98.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.2 | -39.5 | 177.5 | -169.9 | 58.6 | 0 | 0 | 0 | 112.1 | S484 L488 A489 V490 T511 L514 I515 A519 V521 P531 L547 | S484-L486 PolarHBondContact O-N 3.38Å; S484-L486 VanDerWaalsContact O-N 3.16Å; S484-L486 PolarHBondContact OG-N 3.1Å; L486-L488 VanDerWaalsContact C-N 3.34Å; L486-A489 PolarHBondContact O-N 3.44Å; L486-V490 WeakPolarHBondContact O-CG2 3.22Å; L486-V490 PolarHBondContact O-N 3.41Å; L486-T511 HydrophobicContact CD1-CG2 3.82Å; L486-L514 HydrophobicContact CD1-CB 4.3Å; L486-L514 HydrophobicContact CD1-CD1 4.36Å; L486-I515 HydrophobicContact CD1-CG1 4.12Å; L486-I515 HydrophobicContact CD2-CG1 4.3Å; L486-A519 HydrophobicContact CB-CB 4.27Å; L486-A519 HydrophobicContact CD2-CB 4.08Å; L486-V521 HydrophobicContact CD2-CG1 4.19Å; L486-P531 HydrophobicContact CB-CG 4.22Å; L486-P531 HydrophobicContact CD2-CB 4.15Å; L486-P531 HydrophobicContact CD2-CG 3.84Å; L486-P531 HydrophobicContact CG-CB 3.93Å; L486-P531 HydrophobicContact CG-CG 3.85Å; L486-L547 HydrophobicContact CD1-CD2 4.5Å; L486-L547 HydrophobicContact CD2-CD2 4.09Å; L486-L547 HydrophobicContact CG-CD2 4.46Å |
| 487 | H | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.9 | -46 | 171 | -73 | 107.2 | 0 | 0 | 0 | 111.5 | F483 S484 A489 V490 D491 V523 N529 S530 P531 | F483-H487 HydrophobicContact CB-CB 3.9Å; F483-H487 HydrophobicContact CD1-CB 4.36Å; F483-H487 HydrophobicContact CD2-CB 3.74Å; F483-H487 HydrophobicContact CE2-CB 4.33Å; F483-H487 HydrophobicContact CG-CB 3.76Å; S484-H487 PolarHBondContact N-ND1 3.01Å; S484-H487 WeakPolarHBondContact O-CB 3.48Å; S484-H487 PolarHBondContact O-N 2.84Å; S484-H487 VanDerWaalsContact O-N 3.09Å; S484-H487 PolarHBondContact OG-N 3.44Å; S484-H487 PolarHBondContact OG-ND1 3.28Å; H487-A489 PolarHBondContact O-N 3.37Å; H487-V490 VanDerWaalsContact O-CG2 3.3Å; H487-V490 WeakPolarHBondContact O-CG2 3.11Å; H487-V490 PolarHBondContact O-N 2.95Å; H487-D491 PolarHBondContact O-N 3.44Å; H487-D491 VanDerWaalsContact O-N 3.16Å; H487-V523 PolarHBondContact CE1-O 3.44Å; H487-N529 PolarHBondContact NE2-O 3.28Å; H487-N529 VanDerWaalsContact NE2-O 3.08Å; H487-S530 VanDerWaalsContact NE2-C 3.27Å; H487-P531 WeakPolarHBondContact NE2-CD 3.46Å |
| 488 | L | 97.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 178.3 | -69.6 | 170 | 0 | 0 | 0 | 112 | L442 L446 F483 S484 P485 L486 V490 D491 T494 | L442-L488 HydrophobicContact CB-CD1 3.58Å; L442-L488 HydrophobicContact CD1-CD1 4.06Å; L442-L488 HydrophobicContact CG-CD1 4.48Å; L446-L488 HydrophobicContact CD1-CB 3.41Å; L446-L488 VanDerWaalsContact CD1-CB 3.41Å; L446-L488 HydrophobicContact CD1-CD1 4.5Å; F483-L488 HydrophobicContact CB-CD2 4.19Å; F483-L488 HydrophobicContact CB-CG 4.06Å; F483-L488 HydrophobicContact CD2-CD2 3.83Å; F483-L488 HydrophobicContact CD2-CG 4.24Å; F483-L488 HydrophobicContact CG-CD2 4.5Å; S484-L488 PolarHBondContact O-N 3.5Å; P485-L488 PolarHBondContact O-N 3.48Å; L486-L488 VanDerWaalsContact C-N 3.34Å; L488-V490 PolarHBondContact O-N 3.14Å; L488-V490 VanDerWaalsContact O-N 3.17Å; L488-D491 PolarHBondContact O-N 3.24Å; L488-T494 WeakPolarHBondContact CA-OG1 3.45Å; L488-T494 HydrophobicContact CB-CG2 4.37Å; L488-T494 WeakPolarHBondContact O-CB 3.46Å; L488-T494 PolarHBondContact O-OG1 3.47Å |
| 489 | A | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.9 | -21.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L446 P485 L486 H487 P506 S507 V510 L514 | L446-A489 HydrophobicContact CD1-CB 4.32Å; P485-A489 WeakPolarHBondContact O-CB 3.43Å; P485-A489 PolarHBondContact O-N 3.41Å; L486-A489 PolarHBondContact O-N 3.44Å; H487-A489 PolarHBondContact O-N 3.37Å; A489-P506 WeakPolarHBondContact O-CA 3.3Å; A489-S507 PolarHBondContact O-N 2.7Å; A489-V510 HydrophobicContact CB-CG1 3.98Å; A489-L514 HydrophobicContact CB-CD1 3.63Å |
| 490 | V | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 6.9 | 179.7 | -52.9 | 0 | 0 | 0 | 0 | 113.8 | L486 H487 L488 P506 T511 P531 I534 A535 N538 I543 | L486-V490 WeakPolarHBondContact O-CG2 3.22Å; L486-V490 PolarHBondContact O-N 3.41Å; H487-V490 VanDerWaalsContact O-CG2 3.3Å; H487-V490 WeakPolarHBondContact O-CG2 3.11Å; H487-V490 PolarHBondContact O-N 2.95Å; L488-V490 PolarHBondContact O-N 3.14Å; L488-V490 VanDerWaalsContact O-N 3.17Å; V490-P506 VanDerWaalsContact O-CG 3.31Å; V490-P506 WeakPolarHBondContact O-CG 3.23Å; V490-T511 HydrophobicContact CG1-CG2 4Å; V490-T511 WeakPolarHBondContact CG1-OG1 3.46Å; V490-P531 HydrophobicContact CG2-CB 4.22Å; V490-P531 WeakPolarHBondContact CG2-O 3.38Å; V490-I534 HydrophobicContact CG2-CB 3.9Å; V490-I534 HydrophobicContact CG2-CG2 3.88Å; V490-A535 HydrophobicContact CB-CB 4.22Å; V490-A535 HydrophobicContact CG2-CB 4.48Å; V490-N538 PolarHBondContact O-ND2 3.02Å; V490-I543 HydrophobicContact CB-CG2 4.12Å; V490-I543 HydrophobicContact CG1-CG2 3.37Å |
| 491 | D | 97 | Very high | 94.5 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | trans | -104.1 | 133.8 | 177.5 | -175.1 | 37.7 | 0 | 0 | 0 | 112.1 | F483 H487 L488 N493 T494 F505 I534 N538 | F483-D491 HydrophobicContact CE2-CB 4.17Å; H487-D491 PolarHBondContact O-N 3.44Å; H487-D491 VanDerWaalsContact O-N 3.16Å; L488-D491 PolarHBondContact O-N 3.24Å; D491-N493 VanDerWaalsContact C-N 3.28Å; D491-N493 PolarHBondContact O-N 3.38Å; D491-N493 PolarHBondContact OD1-ND2 3.16Å; D491-N493 WeakPolarHBondContact OD2-CB 3.5Å; D491-N493 PolarHBondContact OD2-N 3.23Å; D491-N493 PolarHBondContact OD2-ND2 3.48Å; D491-T494 WeakPolarHBondContact O-CB 3.44Å; D491-T494 PolarHBondContact O-N 2.87Å; D491-T494 PolarHBondContact O-OG1 2.92Å; D491-F505 WeakPolarHBondContact O-CB 3.26Å; D491-I534 HydrophobicContact CB-CG2 3.84Å; D491-N538 PolarHBondContact OD1-ND2 3.3Å | ||
| 492 | K | 95.8 | Very high | 94.6 | Very high | 118 Ų | 118 | 48.5 Ų | 48.5 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -64.3 | -31.4 | 178.5 | 68.9 | -169.8 | 167.7 | -167 | 0 | 113.2 | T494 T495 N538 | K492-T494 PolarHBondContact O-N 3.24Å; K492-T495 VanDerWaalsContact O-CB 3.26Å; K492-T495 WeakPolarHBondContact O-CB 3.21Å; K492-T495 PolarHBondContact O-N 3.47Å; K492-T495 VanDerWaalsContact O-N 3.12Å; K492-T495 PolarHBondContact O-OG1 3.13Å; K492-N538 WeakPolarHBondContact CB-OD1 3.32Å; K492-N538 WeakPolarHBondContact CD-OD1 3.41Å; K492-N538 WeakPolarHBondContact CG-OD1 3.41Å; K492-N538 PolarHBondContact N-OD1 3.17Å |
| 493 | N | 93.9 | Very high | 94.7 | Very high | 107 Ų | 107 | 45.7 Ų | 45.7 | 57% | 0.572 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -68.3 | -21.8 | -176.6 | -50.6 | -57.6 | 0 | 0 | 0 | 112 | D491 T495 C496 | D491-N493 VanDerWaalsContact C-N 3.28Å; D491-N493 PolarHBondContact O-N 3.38Å; D491-N493 PolarHBondContact OD1-ND2 3.16Å; D491-N493 WeakPolarHBondContact OD2-CB 3.5Å; D491-N493 PolarHBondContact OD2-N 3.23Å; D491-N493 PolarHBondContact OD2-ND2 3.48Å; N493-T495 PolarHBondContact O-N 3.05Å; N493-C496 PolarHBondContact O-N 3.09Å; N493-C496 VanDerWaalsContact O-N 3.1Å |
| 494 | T | 95.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -58.3 | -28 | 173.3 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | L446 H447 L488 D491 K492 C496 F505 | L446-T494 HydrophobicContact CD1-CG2 4.11Å; H447-T494 PolarHBondContact CE1-O 3Å; L488-T494 WeakPolarHBondContact CA-OG1 3.45Å; L488-T494 HydrophobicContact CB-CG2 4.37Å; L488-T494 WeakPolarHBondContact O-CB 3.46Å; L488-T494 PolarHBondContact O-OG1 3.47Å; D491-T494 WeakPolarHBondContact O-CB 3.44Å; D491-T494 PolarHBondContact O-N 2.87Å; D491-T494 PolarHBondContact O-OG1 2.92Å; K492-T494 PolarHBondContact O-N 3.24Å; T494-C496 PolarHBondContact O-N 3.45Å; T494-C496 VanDerWaalsContact O-N 3.17Å; T494-F505 HydrophobicContact CG2-CB 4.37Å; T494-F505 HydrophobicContact CG2-CD1 4.11Å; T494-F505 HydrophobicContact CG2-CD2 3.79Å; T494-F505 HydrophobicContact CG2-CE1 4.38Å; T494-F505 HydrophobicContact CG2-CE2 4.09Å; T494-F505 HydrophobicContact CG2-CG 3.81Å; T494-F505 HydrophobicContact CG2-CZ 4.38Å |
| 495 | T | 95.8 | Very high | 94.6 | Very high | 38 Ų | 38 | 52.7 Ų | 52.7 | 23% | 0.233 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -54.4 | -34.5 | 175.6 | -56.3 | 0 | 0 | 0 | 0 | 112.9 | K492 N493 V497 F505 | K492-T495 VanDerWaalsContact O-CB 3.26Å; K492-T495 WeakPolarHBondContact O-CB 3.21Å; K492-T495 PolarHBondContact O-N 3.47Å; K492-T495 VanDerWaalsContact O-N 3.12Å; K492-T495 PolarHBondContact O-OG1 3.13Å; N493-T495 PolarHBondContact O-N 3.05Å; T495-V497 PolarHBondContact O-N 3.1Å; T495-F505 PolarHBondContact OG1-N 3.08Å; T495-F505 PolarHBondContact OG1-O 3.02Å |
| 496 | C | 90.5 | Very high | 94.6 | Very high | 110 Ų | 110 | 53.4 Ų | 53.4 | 74% | 0.743 | 27% | 0.272 | S | S | * | . | trans | -95.9 | 82.7 | -172.1 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | N493 T494 | N493-C496 PolarHBondContact O-N 3.09Å; N493-C496 VanDerWaalsContact O-N 3.1Å; T494-C496 PolarHBondContact O-N 3.45Å; T494-C496 VanDerWaalsContact O-N 3.17Å | ||
| 497 | V | 91.4 | Very high | 94.6 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 13% | 0.127 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -105.3 | -21 | 179.6 | 67.6 | 0 | 0 | 0 | 0 | 114 | L384 K440 I444 H447 T495 | L384-V497 HydrophobicContact CD1-CB 4.47Å; L384-V497 HydrophobicContact CD1-CG1 3.67Å; L384-V497 HydrophobicContact CD1-CG2 4.2Å; L384-V497 WeakPolarHBondContact CD2-O 3.4Å; K440-V497 HydrophobicContact CG-CG2 4.49Å; I444-V497 HydrophobicContact CG1-CG2 3.69Å; H447-V497 VanDerWaalsContact CE1-CG1 3.41Å; H447-V497 WeakPolarHBondContact CE1-CG1 3.24Å; T495-V497 PolarHBondContact O-N 3.1Å |
| 498 | G | 90 | Very high | 94.5 | Very high | 37 Ų | 37 | 56.5 Ų | 56.5 | 38% | 0.381 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -151.6 | -170 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 499 | R | 86.4 | Confident | 94.5 | Very high | 215 Ų | 215 | 61.9 Ų | 61.9 | 81% | 0.811 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -76.1 | -37 | 177 | -179.2 | -179 | -72.6 | -177.6 | -2.1 | 110.8 | ||
| 500 | Y | 88.9 | Confident | 94.5 | Very high | 140 Ų | 140 | 61.9 Ų | 61.9 | 55% | 0.549 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -102.6 | 139.2 | -178.1 | -57 | -70 | 0 | 0 | 0 | 110.7 | E388 V502 | E388-Y500 PolarHBondContact OE1-N 2.9Å; Y500-V502 PolarHBondContact O-N 3.45Å |
| 501 | P | 88.3 | Confident | 94.6 | Very high | 102 Ų | 102 | 61.9 Ų | 61.9 | 66% | 0.662 | 31% | 0.314 | S | S | * | . | trans | -67.8 | 130 | 178.3 | 28 | -33.7 | 0 | 0 | 0 | 110.3 | ||||
| 502 | V | 94.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.03 | 33% | 0.325 | C | S | . | . | trans | -103.7 | -60.9 | 178.7 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | A387 E388 S391 H447 L451 Y500 | A387-V502 HydrophobicContact CB-CG1 4.06Å; A387-V502 HydrophobicContact CB-CG2 4.44Å; E388-V502 HydrophobicContact CB-CG2 4.47Å; E388-V502 HydrophobicContact CG-CG2 3.77Å; S391-V502 PolarHBondContact OG-O 3.49Å; S391-V502 VanDerWaalsContact OG-O 3.05Å; H447-V502 HydrophobicContact CB-CB 4.41Å; H447-V502 HydrophobicContact CB-CG1 3.77Å; H447-V502 VanDerWaalsContact CD2-CB 3.47Å; H447-V502 WeakPolarHBondContact CD2-CB 3.48Å; L451-V502 HydrophobicContact CD1-CG1 3.8Å; L451-V502 HydrophobicContact CD2-CG1 4.33Å; L451-V502 HydrophobicContact CG-CG1 4.21Å; Y500-V502 PolarHBondContact O-N 3.45Å | ||
| 503 | C | 96.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | trans | -142.4 | 156.6 | 176.4 | -84.5 | 0 | 0 | 0 | 0 | 109.6 | H447 C450 K454 F505 | H447-C503 PolarHBondContact CD2-N 3.27Å; C450-C503 HydrophobicContact CB-CB 3.71Å; C450-C503 WeakPolarHBondContact CB-SG 3.41Å; C450-C503 WeakPolarHBondContact SG-CB 3.34Å; C450-C503 CovalentContact SG-SG 2.04Å; C450-C503 PolarHBondContact SG-SG 3.47Å; K454-C503 PolarHBondContact NZ-SG 3.19Å; C503-F505 HydrophobicContact CB-CE2 3.98Å | ||
| 504 | K | 95.9 | Very high | 95 | Very high | 170 Ų | 170 | 52.4 Ų | 52.4 | 74% | 0.739 | 27% | 0.274 | S | S | * | . | trans | -94.7 | 137 | 176.7 | -173.1 | 178.7 | 177.6 | -175.6 | 0 | 110.1 | ||||
| 505 | F | 97.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 1% | 0.013 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -121.9 | 151.1 | 170.9 | -67.6 | -91.2 | 0 | 0 | 0 | 109.6 | L446 H447 C450 D491 T494 T495 C503 V510 | L446-F505 HydrophobicContact CB-CE1 4.03Å; L446-F505 HydrophobicContact CB-CZ 3.76Å; H447-F505 AromaticContact CD2-CE2 3.72Å; H447-F505 AromaticContact CE1-CE2 3.7Å; H447-F505 AromaticContact CG-CE2 3.97Å; H447-F505 AromaticContact ND1-CE2 3.92Å; H447-F505 AromaticContact NE2-CD2 3.99Å; H447-F505 AromaticContact NE2-CE2 3.58Å; C450-F505 HydrophobicContact CB-CZ 4.41Å; D491-F505 WeakPolarHBondContact O-CB 3.26Å; T494-F505 HydrophobicContact CG2-CB 4.37Å; T494-F505 HydrophobicContact CG2-CD1 4.11Å; T494-F505 HydrophobicContact CG2-CD2 3.79Å; T494-F505 HydrophobicContact CG2-CE1 4.38Å; T494-F505 HydrophobicContact CG2-CE2 4.09Å; T494-F505 HydrophobicContact CG2-CG 3.81Å; T494-F505 HydrophobicContact CG2-CZ 4.38Å; T495-F505 PolarHBondContact OG1-N 3.08Å; T495-F505 PolarHBondContact OG1-O 3.02Å; C503-F505 HydrophobicContact CB-CE2 3.98Å; F505-V510 HydrophobicContact CE1-CB 4.22Å; F505-V510 HydrophobicContact CE1-CG1 4.15Å; F505-V510 HydrophobicContact CE1-CG2 4.15Å; F505-V510 HydrophobicContact CZ-CG2 4.41Å |
| 506 | P | 97.7 | Very high | 95.2 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 13% | 0.13 | 30% | 0.296 | C | S | . | . | S | Bend | cis | -59.8 | 146.7 | -2 | -23 | 35.6 | 0 | 0 | 0 | 113.1 | A489 V490 N538 H540 I543 | A489-P506 WeakPolarHBondContact O-CA 3.3Å; V490-P506 VanDerWaalsContact O-CG 3.31Å; V490-P506 WeakPolarHBondContact O-CG 3.23Å; P506-N538 HydrophobicContact CG-CB 3.76Å; P506-H540 HydrophobicContact CG-CB 4.49Å; P506-I543 HydrophobicContact CB-CD1 3.37Å |
| 507 | S | 97.6 | Very high | 95.6 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | trans | -127.5 | 107 | -175.7 | 162.1 | 0 | 0 | 0 | 0 | 111.3 | A489 Q509 V510 T511 | A489-S507 PolarHBondContact O-N 2.7Å; S507-Q509 VanDerWaalsContact C-N 3.31Å; S507-Q509 PolarHBondContact O-N 3.38Å; S507-V510 PolarHBondContact O-N 2.98Å; S507-V510 WeakPolarHBondContact OG-CB 3.49Å; S507-V510 VanDerWaalsContact OG-CG2 3.28Å; S507-V510 WeakPolarHBondContact OG-CG2 3.41Å; S507-V510 PolarHBondContact OG-N 3.4Å; S507-T511 PolarHBondContact O-N 3.18Å; S507-T511 PolarHBondContact O-OG1 3.1Å | ||
| 508 | L | 97.9 | Very high | 95.9 | Very high | 57 Ų | 57 | 54.3 Ų | 54.3 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -54.1 | -43.4 | 179.2 | -176.8 | 65.1 | 0 | 0 | 0 | 113.3 | T511 A512 D542 I543 L546 | L508-T511 PolarHBondContact O-N 3.29Å; L508-A512 WeakPolarHBondContact O-CB 3.44Å; L508-A512 PolarHBondContact O-N 3.13Å; L508-D542 HydrophobicContact CD1-CB 4.44Å; L508-D542 HydrophobicContact CD2-CB 4.3Å; L508-I543 HydrophobicContact CB-CG1 4.11Å; L508-I543 HydrophobicContact CD1-CG1 3.82Å; L508-L546 HydrophobicContact CD1-CB 4.16Å; L508-L546 HydrophobicContact CD1-CD2 3.68Å |
| 509 | Q | 97.4 | Very high | 96.3 | Very high | 117 Ų | 117 | 53.1 Ų | 53.1 | 55% | 0.547 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.1 | -50.6 | -178.8 | -66.3 | 77.4 | 11 | 0 | 0 | 111.5 | S507 T511 A512 I513 | S507-Q509 VanDerWaalsContact C-N 3.31Å; S507-Q509 PolarHBondContact O-N 3.38Å; Q509-T511 VanDerWaalsContact C-N 3.34Å; Q509-T511 PolarHBondContact O-N 3.44Å; Q509-A512 PolarHBondContact O-N 3.16Å; Q509-I513 PolarHBondContact O-N 3.41Å |
| 510 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.9 | -44 | 174 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | L446 I449 C450 A489 F505 S507 A512 I513 L514 | L446-V510 HydrophobicContact CD2-CG1 4.02Å; I449-V510 HydrophobicContact CG2-CG1 4.28Å; I449-V510 HydrophobicContact CG2-CG2 4.37Å; C450-V510 HydrophobicContact CB-CG2 3.6Å; A489-V510 HydrophobicContact CB-CG1 3.98Å; F505-V510 HydrophobicContact CE1-CB 4.22Å; F505-V510 HydrophobicContact CE1-CG1 4.15Å; F505-V510 HydrophobicContact CE1-CG2 4.15Å; F505-V510 HydrophobicContact CZ-CG2 4.41Å; S507-V510 PolarHBondContact O-N 2.98Å; S507-V510 WeakPolarHBondContact OG-CB 3.49Å; S507-V510 VanDerWaalsContact OG-CG2 3.28Å; S507-V510 WeakPolarHBondContact OG-CG2 3.41Å; S507-V510 PolarHBondContact OG-N 3.4Å; V510-A512 VanDerWaalsContact C-N 3.33Å; V510-A512 PolarHBondContact O-N 3.34Å; V510-I513 VanDerWaalsContact O-CG2 3.3Å; V510-I513 WeakPolarHBondContact O-CG2 3.41Å; V510-I513 PolarHBondContact O-N 2.85Å; V510-L514 HydrophobicContact CG1-CD1 4Å; V510-L514 HydrophobicContact CG1-CG 4.24Å; V510-L514 WeakPolarHBondContact O-CB 3.49Å; V510-L514 WeakPolarHBondContact O-CG 3.42Å; V510-L514 PolarHBondContact O-N 3.04Å |
| 511 | T | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.3 | -46.1 | 175.8 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | L486 V490 S507 L508 Q509 L514 I515 I543 L546 L547 | L486-T511 HydrophobicContact CD1-CG2 3.82Å; V490-T511 HydrophobicContact CG1-CG2 4Å; V490-T511 WeakPolarHBondContact CG1-OG1 3.46Å; S507-T511 PolarHBondContact O-N 3.18Å; S507-T511 PolarHBondContact O-OG1 3.1Å; L508-T511 PolarHBondContact O-N 3.29Å; Q509-T511 VanDerWaalsContact C-N 3.34Å; Q509-T511 PolarHBondContact O-N 3.44Å; T511-L514 PolarHBondContact O-N 3.46Å; T511-I515 HydrophobicContact CG2-CD1 3.91Å; T511-I515 VanDerWaalsContact O-CG1 3.3Å; T511-I515 WeakPolarHBondContact O-CG1 3.36Å; T511-I515 PolarHBondContact O-N 3.24Å; T511-I515 VanDerWaalsContact O-N 3.09Å; T511-I543 HydrophobicContact CG2-CG2 3.99Å; T511-L546 HydrophobicContact CG2-CD2 3.82Å; T511-L547 HydrophobicContact CG2-CD2 4.43Å |
| 512 | A | 98.5 | Very high | 97.4 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 32% | 0.322 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.3 | -48.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L508 Q509 V510 L514 I515 E516 L546 | L508-A512 WeakPolarHBondContact O-CB 3.44Å; L508-A512 PolarHBondContact O-N 3.13Å; Q509-A512 PolarHBondContact O-N 3.16Å; V510-A512 VanDerWaalsContact C-N 3.33Å; V510-A512 PolarHBondContact O-N 3.34Å; A512-L514 PolarHBondContact O-N 3.09Å; A512-I515 PolarHBondContact O-N 3.43Å; A512-E516 WeakPolarHBondContact O-CB 3.47Å; A512-E516 PolarHBondContact O-N 3.25Å; A512-L546 HydrophobicContact CB-CD2 3.86Å |
| 513 | I | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.5 | -33.7 | -179.6 | -168.1 | 167.9 | 0 | 0 | 0 | 112.4 | I449 E453 K465 K466 I469 Q509 V510 E516 C517 | I449-I513 HydrophobicContact CG2-CG2 3.74Å; E453-I513 WeakPolarHBondContact OE1-CD1 3.47Å; K465-I513 HydrophobicContact CD-CD1 3.97Å; K465-I513 HydrophobicContact CG-CD1 4.39Å; K466-I513 HydrophobicContact CG-CD1 4.5Å; I469-I513 HydrophobicContact CD1-CD1 3.62Å; I469-I513 HydrophobicContact CD1-CG1 3.9Å; Q509-I513 PolarHBondContact O-N 3.41Å; V510-I513 VanDerWaalsContact O-CG2 3.3Å; V510-I513 WeakPolarHBondContact O-CG2 3.41Å; V510-I513 PolarHBondContact O-N 2.85Å; I513-E516 PolarHBondContact O-N 3.33Å; I513-C517 VanDerWaalsContact O-CB 3.3Å; I513-C517 WeakPolarHBondContact O-CB 3.39Å; I513-C517 PolarHBondContact O-N 3.02Å; I513-C517 PolarHBondContact O-SG 2.89Å |
| 514 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 174 | -71 | 177.1 | 0 | 0 | 0 | 111.2 | L446 I449 I469 L473 P485 L486 A489 V510 T511 A512 C517 G518 A519 | L446-L514 HydrophobicContact CD2-CD1 3.85Å; L446-L514 HydrophobicContact CD2-CD2 4.32Å; I449-L514 HydrophobicContact CD1-CD2 4.28Å; I469-L514 HydrophobicContact CG2-CD2 3.86Å; L473-L514 HydrophobicContact CD1-CD2 4.29Å; L473-L514 WeakPolarHBondContact CD1-O 3.49Å; L473-L514 HydrophobicContact CD2-CD2 4.22Å; P485-L514 HydrophobicContact CB-CD1 4.47Å; L486-L514 HydrophobicContact CD1-CB 4.3Å; L486-L514 HydrophobicContact CD1-CD1 4.36Å; A489-L514 HydrophobicContact CB-CD1 3.63Å; V510-L514 HydrophobicContact CG1-CD1 4Å; V510-L514 HydrophobicContact CG1-CG 4.24Å; V510-L514 WeakPolarHBondContact O-CB 3.49Å; V510-L514 WeakPolarHBondContact O-CG 3.42Å; V510-L514 PolarHBondContact O-N 3.04Å; T511-L514 PolarHBondContact O-N 3.46Å; A512-L514 PolarHBondContact O-N 3.09Å; L514-C517 CarbonylContact O-C 3.51Å; L514-C517 PolarHBondContact O-N 3.45Å; L514-G518 PolarHBondContact O-N 3.37Å; L514-A519 HydrophobicContact CB-CB 4.02Å; L514-A519 WeakPolarHBondContact O-CB 3Å; L514-A519 PolarHBondContact O-N 3.47Å |
| 515 | I | 98.6 | Very high | 97.3 | Very high | 28 Ų | 28 | 32.5 Ų | 32.5 | 14% | 0.144 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -46 | 176.6 | -67.2 | 169.4 | 0 | 0 | 0 | 110.5 | L486 T511 A512 C517 G518 V521 L546 L547 S550 | L486-I515 HydrophobicContact CD1-CG1 4.12Å; L486-I515 HydrophobicContact CD2-CG1 4.3Å; T511-I515 HydrophobicContact CG2-CD1 3.91Å; T511-I515 VanDerWaalsContact O-CG1 3.3Å; T511-I515 WeakPolarHBondContact O-CG1 3.36Å; T511-I515 PolarHBondContact O-N 3.24Å; T511-I515 VanDerWaalsContact O-N 3.09Å; A512-I515 PolarHBondContact O-N 3.43Å; I515-C517 PolarHBondContact O-N 2.94Å; I515-G518 PolarHBondContact O-N 3.4Å; I515-V521 HydrophobicContact CD1-CG1 4.1Å; I515-V521 HydrophobicContact CG1-CG1 3.93Å; I515-V521 HydrophobicContact CG2-CG1 4.31Å; I515-L546 HydrophobicContact CD1-CD2 4.21Å; I515-L546 HydrophobicContact CD1-CG 4.02Å; I515-L547 HydrophobicContact CD1-CD2 3.92Å; I515-S550 WeakPolarHBondContact CG2-OG 3.21Å |
| 516 | E | 98.1 | Very high | 97.3 | Very high | 123 Ų | 123 | 35.9 Ų | 35.9 | 58% | 0.575 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -56.8 | -37.2 | 175.7 | -170.1 | -173.6 | 173.2 | 0 | 0 | 111.4 | K466 A512 I513 G518 | K466-E516 VanDerWaalsContact CE-CD 3.44Å; K466-E516 WeakPolarHBondContact CE-OE1 3.3Å; K466-E516 VanDerWaalsContact CE-OE2 3.26Å; K466-E516 WeakPolarHBondContact CE-OE2 3.3Å; K466-E516 VanDerWaalsContact NZ-CD 3.32Å; K466-E516 IonicContact NZ-OE1 3.48Å; K466-E516 PolarHBondContact NZ-OE1 2.96Å; K466-E516 IonicContact NZ-OE2 2.67Å; K466-E516 PolarHBondContact NZ-OE2 3.35Å; A512-E516 WeakPolarHBondContact O-CB 3.47Å; A512-E516 PolarHBondContact O-N 3.25Å; I513-E516 PolarHBondContact O-N 3.33Å; E516-G518 PolarHBondContact O-N 3.22Å |
| 517 | C | 98.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 5% | 0.054 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 13.7 | 176.5 | -61.6 | 0 | 0 | 0 | 0 | 114 | I469 Y470 L473 I513 L514 I515 | I469-C517 HydrophobicContact CB-CB 4.09Å; I469-C517 HydrophobicContact CG2-CB 3.56Å; Y470-C517 WeakPolarHBondContact CD2-O 3.42Å; L473-C517 HydrophobicContact CD1-CB 3.88Å; L473-C517 WeakPolarHBondContact CD1-O 3.36Å; I513-C517 VanDerWaalsContact O-CB 3.3Å; I513-C517 WeakPolarHBondContact O-CB 3.39Å; I513-C517 PolarHBondContact O-N 3.02Å; I513-C517 PolarHBondContact O-SG 2.89Å; L514-C517 CarbonylContact O-C 3.51Å; L514-C517 PolarHBondContact O-N 3.45Å; I515-C517 PolarHBondContact O-N 2.94Å |
| 518 | G | 97.1 | Very high | 97 | Very high | 55 Ų | 55 | 40.3 Ų | 40.3 | 57% | 0.567 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | 23.8 | 171 | 0 | 0 | 0 | 0 | 0 | 115.8 | L514 I515 E516 D520 | L514-G518 PolarHBondContact O-N 3.37Å; I515-G518 PolarHBondContact O-N 3.4Å; E516-G518 PolarHBondContact O-N 3.22Å; G518-D520 PolarHBondContact O-N 3.05Å |
| 519 | A | 98.1 | Very high | 96.9 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | trans | -63.8 | 131.1 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | L473 L486 L514 V521 | L473-A519 HydrophobicContact CD1-CB 3.98Å; L473-A519 HydrophobicContact CD2-CB 4.09Å; L486-A519 HydrophobicContact CB-CB 4.27Å; L486-A519 HydrophobicContact CD2-CB 4.08Å; L514-A519 HydrophobicContact CB-CB 4.02Å; L514-A519 WeakPolarHBondContact O-CB 3Å; L514-A519 PolarHBondContact O-N 3.47Å; A519-V521 PolarHBondContact O-N 3.02Å | ||
| 520 | D | 96.6 | Very high | 96.9 | Very high | 97 Ų | 97 | 32.6 Ų | 32.6 | 52% | 0.519 | 19% | 0.194 | S | C | . | . | trans | -69.3 | 110.6 | 176.3 | 176.6 | 11.2 | 0 | 0 | 0 | 110.6 | G518 N522 V523 | G518-D520 PolarHBondContact O-N 3.05Å; D520-N522 PolarHBondContact O-N 3.16Å; D520-N522 WeakPolarHBondContact OD1-CA 3.47Å; D520-N522 PolarHBondContact OD1-N 3.41Å; D520-V523 HydrophobicContact CB-CB 4.15Å; D520-V523 WeakPolarHBondContact O-CB 3.46Å; D520-V523 WeakPolarHBondContact O-CG1 3.4Å; D520-V523 PolarHBondContact O-N 3.24Å; D520-V523 PolarHBondContact OD1-N 2.98Å; D520-V523 PolarHBondContact OD2-N 3.47Å | ||
| 521 | V | 96.9 | Very high | 96.8 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -17 | 179.3 | -63.2 | 0 | 0 | 0 | 0 | 113.6 | L486 I515 A519 L547 A552 | L486-V521 HydrophobicContact CD2-CG1 4.19Å; I515-V521 HydrophobicContact CD1-CG1 4.1Å; I515-V521 HydrophobicContact CG1-CG1 3.93Å; I515-V521 HydrophobicContact CG2-CG1 4.31Å; A519-V521 PolarHBondContact O-N 3.02Å; V521-L547 HydrophobicContact CB-CD2 4.49Å; V521-L547 HydrophobicContact CG1-CD2 4.29Å; V521-A552 HydrophobicContact CB-CB 4.39Å |
| 522 | N | 93.7 | Very high | 96.7 | Very high | 39 Ų | 39 | 32.6 Ų | 32.6 | 21% | 0.209 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 11.8 | 179.9 | -69.8 | -57 | 0 | 0 | 0 | 112.7 | D520 R524 G551 A552 H553 | D520-N522 PolarHBondContact O-N 3.16Å; D520-N522 WeakPolarHBondContact OD1-CA 3.47Å; D520-N522 PolarHBondContact OD1-N 3.41Å; N522-R524 PolarHBondContact O-NH1 2.96Å; N522-G551 PolarHBondContact ND2-O 3.02Å; N522-A552 WeakPolarHBondContact OD1-CA 3.47Å; N522-H553 PolarHBondContact OD1-CD2 3.38Å; N522-H553 VanDerWaalsContact OD1-CD2 3.29Å; N522-H553 PolarHBondContact OD1-N 3.49Å |
| 523 | V | 95.5 | Very high | 96.6 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | trans | -55.6 | 149 | 172.2 | 64.6 | 0 | 0 | 0 | 0 | 111.4 | S484 H487 D520 S530 P531 | S484-V523 WeakPolarHBondContact OG-CG1 3.27Å; H487-V523 PolarHBondContact CE1-O 3.44Å; D520-V523 HydrophobicContact CB-CB 4.15Å; D520-V523 WeakPolarHBondContact O-CB 3.46Å; D520-V523 WeakPolarHBondContact O-CG1 3.4Å; D520-V523 PolarHBondContact O-N 3.24Å; D520-V523 PolarHBondContact OD1-N 2.98Å; D520-V523 PolarHBondContact OD2-N 3.47Å; V523-S530 WeakPolarHBondContact O-CA 3.47Å; V523-P531 HydrophobicContact CG1-CG 3.79Å; V523-P531 WeakPolarHBondContact O-CD 3.05Å | ||
| 524 | R | 94.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 31 Ų | 31 | 15% | 0.151 | 18% | 0.18 | C | C | . | . | trans | -118 | 142.2 | -176.4 | -61 | -61.6 | -166.4 | -108.8 | 9.9 | 112.5 | N522 D528 N529 | N522-R524 PolarHBondContact O-NH1 2.96Å; R524-D528 WeakPolarHBondContact CB-OD1 3.43Å; R524-D528 WeakPolarHBondContact CD-O 3.48Å; R524-D528 WeakPolarHBondContact CD-OD1 3.43Å; R524-D528 WeakPolarHBondContact CG-OD1 3.34Å; R524-D528 IonicContact NE-OD1 3.62Å; R524-N529 WeakPolarHBondContact CA-O 3.49Å | ||
| 525 | D | 95.7 | Very high | 96.4 | Very high | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | trans | -89.8 | -162.8 | 173.3 | 80.1 | -1.8 | 0 | 0 | 0 | 111.9 | N481 F483 D527 D528 N529 | N481-D525 WeakPolarHBondContact O-CB 3.38Å; F483-D525 HydrophobicContact CD1-CB 3.85Å; F483-D525 HydrophobicContact CE1-CB 4Å; F483-D525 VanDerWaalsContact CE1-OD2 3.23Å; F483-D525 WeakPolarHBondContact CE1-OD2 3.37Å; D525-D527 WeakPolarHBondContact OD1-CA 3.5Å; D525-D527 PolarHBondContact OD1-N 3.48Å; D525-D528 PolarHBondContact OD1-N 2.77Å; D525-D528 VanDerWaalsContact OD1-N 3.07Å; D525-N529 PolarHBondContact N-O 2.95Å; D525-N529 WeakPolarHBondContact OD1-CB 3.12Å; D525-N529 PolarHBondContact OD1-N 2.69Å; D525-N529 WeakPolarHBondContact OD2-CB 3.49Å; D525-N529 PolarHBondContact OD2-ND2 3.47Å | ||
| 526 | S | 95.9 | Very high | 96.1 | Very high | 73 Ų | 73 | 29.6 Ų | 29.6 | 51% | 0.51 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -24.5 | 179.9 | -54.3 | 0 | 0 | 0 | 0 | 114.2 | N481 N482 D528 | N481-S526 PolarHBondContact O-N 3.37Å; N481-S526 PolarHBondContact O-OG 2.91Å; N482-S526 WeakPolarHBondContact CB-OG 3.23Å; S526-D528 VanDerWaalsContact C-N 3.31Å |
| 527 | D | 95.7 | Very high | 95.9 | Very high | 63 Ų | 63 | 27.6 Ų | 27.6 | 34% | 0.337 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 15.7 | 178.8 | -61 | -44 | 0 | 0 | 0 | 110.9 | D525 N529 N558 L559 | D525-D527 WeakPolarHBondContact OD1-CA 3.5Å; D525-D527 PolarHBondContact OD1-N 3.48Å; D527-N529 WeakPolarHBondContact CB-ND2 3.41Å; D527-N529 PolarHBondContact O-N 3.5Å; D527-N558 WeakPolarHBondContact O-CB 3.42Å; D527-L559 VanDerWaalsContact O-CB 3.23Å; D527-L559 WeakPolarHBondContact O-CB 3.44Å; D527-L559 PolarHBondContact O-N 3.47Å |
| 528 | D | 94.2 | Very high | 95.7 | Very high | 61 Ų | 61 | 28.3 Ų | 28.3 | 33% | 0.326 | 17% | 0.169 | S | C | . | . | trans | 57.4 | 22.5 | -174.5 | -155.4 | 27.7 | 0 | 0 | 0 | 114 | R524 D525 S526 L559 | R524-D528 WeakPolarHBondContact CB-OD1 3.43Å; R524-D528 WeakPolarHBondContact CD-O 3.48Å; R524-D528 WeakPolarHBondContact CD-OD1 3.43Å; R524-D528 WeakPolarHBondContact CG-OD1 3.34Å; R524-D528 IonicContact NE-OD1 3.62Å; D525-D528 PolarHBondContact OD1-N 2.77Å; D525-D528 VanDerWaalsContact OD1-N 3.07Å; S526-D528 VanDerWaalsContact C-N 3.31Å; D528-L559 HydrophobicContact CB-CB 4.48Å | ||
| 529 | N | 96.2 | Very high | 95.4 | Very high | 11 Ų | 11 | 28.6 Ų | 28.6 | 6% | 0.059 | 16% | 0.158 | C | C | . | . | trans | -70.7 | 145.2 | 169.6 | -60.1 | -62.2 | 0 | 0 | 0 | 109.5 | H487 R524 D525 D527 H533 I534 N558 | H487-N529 PolarHBondContact NE2-O 3.28Å; H487-N529 VanDerWaalsContact NE2-O 3.08Å; R524-N529 WeakPolarHBondContact CA-O 3.49Å; D525-N529 PolarHBondContact N-O 2.95Å; D525-N529 WeakPolarHBondContact OD1-CB 3.12Å; D525-N529 PolarHBondContact OD1-N 2.69Å; D525-N529 WeakPolarHBondContact OD2-CB 3.49Å; D525-N529 PolarHBondContact OD2-ND2 3.47Å; D527-N529 WeakPolarHBondContact CB-ND2 3.41Å; D527-N529 PolarHBondContact O-N 3.5Å; N529-H533 HydrophobicContact CB-CB 3.89Å; N529-I534 HydrophobicContact CB-CD1 3.8Å; N529-I534 HydrophobicContact CB-CG1 4.31Å; N529-N558 VanDerWaalsContact OD1-CB 3.27Å; N529-N558 WeakPolarHBondContact OD1-CB 3.37Å; N529-N558 PolarHBondContact OD1-ND2 3.33Å | ||
| 530 | S | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -97.7 | 167.5 | 166.3 | 79.1 | 0 | 0 | 0 | 0 | 110.6 | H487 V523 L532 H533 I534 | H487-S530 VanDerWaalsContact NE2-C 3.27Å; V523-S530 WeakPolarHBondContact O-CA 3.47Å; S530-L532 PolarHBondContact O-N 2.86Å; S530-L532 VanDerWaalsContact O-N 3.07Å; S530-L532 WeakPolarHBondContact OG-CB 3.32Å; S530-L532 PolarHBondContact OG-N 3.48Å; S530-H533 WeakPolarHBondContact CB-ND1 3.42Å; S530-H533 PolarHBondContact N-ND1 3.39Å; S530-H533 WeakPolarHBondContact O-CB 3.47Å; S530-H533 PolarHBondContact O-N 3.16Å; S530-H533 PolarHBondContact OG-ND1 3.26Å; S530-I534 PolarHBondContact O-N 2.98Å; S530-I534 VanDerWaalsContact O-N 3.14Å | ||
| 531 | P | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.1 | -29.6 | 171.3 | -27.5 | 35.3 | 0 | 0 | 0 | 113.1 | L486 H487 V490 V523 I534 A535 L547 | L486-P531 HydrophobicContact CB-CG 4.22Å; L486-P531 HydrophobicContact CD2-CB 4.15Å; L486-P531 HydrophobicContact CD2-CG 3.84Å; L486-P531 HydrophobicContact CG-CB 3.93Å; L486-P531 HydrophobicContact CG-CG 3.85Å; H487-P531 WeakPolarHBondContact NE2-CD 3.46Å; V490-P531 HydrophobicContact CG2-CB 4.22Å; V490-P531 WeakPolarHBondContact CG2-O 3.38Å; V523-P531 HydrophobicContact CG1-CG 3.79Å; V523-P531 WeakPolarHBondContact O-CD 3.05Å; P531-I534 PolarHBondContact O-N 3.06Å; P531-A535 WeakPolarHBondContact O-CB 3.42Å; P531-A535 PolarHBondContact O-N 2.89Å; P531-L547 HydrophobicContact CB-CD1 4.13Å; P531-L547 HydrophobicContact CB-CD2 4.08Å |
| 532 | L | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.3 | -39.7 | 176.3 | -174.4 | 63.6 | 0 | 0 | 0 | 112.1 | S530 A535 A536 M544 L547 I548 A552 F554 A564 | S530-L532 PolarHBondContact O-N 2.86Å; S530-L532 VanDerWaalsContact O-N 3.07Å; S530-L532 WeakPolarHBondContact OG-CB 3.32Å; S530-L532 PolarHBondContact OG-N 3.48Å; L532-A535 PolarHBondContact O-N 3.19Å; L532-A536 WeakPolarHBondContact O-CB 3.49Å; L532-A536 PolarHBondContact O-N 2.77Å; L532-M544 HydrophobicContact CD1-CB 3.75Å; L532-M544 HydrophobicContact CD1-CE 4.05Å; L532-M544 HydrophobicContact CD1-CG 3.92Å; L532-L547 HydrophobicContact CB-CD1 4.37Å; L532-L547 HydrophobicContact CD1-CB 4.18Å; L532-L547 HydrophobicContact CD1-CD1 4.33Å; L532-I548 HydrophobicContact CD1-CD1 4.28Å; L532-I548 HydrophobicContact CD1-CG1 3.98Å; L532-I548 HydrophobicContact CD2-CG1 4.13Å; L532-A552 HydrophobicContact CB-CB 4.24Å; L532-A552 HydrophobicContact CD2-CB 4.19Å; L532-F554 HydrophobicContact CD2-CD2 4.23Å; L532-A564 HydrophobicContact CB-CB 4.47Å; L532-A564 HydrophobicContact CD2-CB 3.99Å; L532-A564 HydrophobicContact CG-CB 3.65Å |
| 533 | H | 95.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 174.3 | -65.1 | 91.3 | 0 | 0 | 0 | 111.3 | N529 S530 A536 L537 A556 Q562 A564 L567 | N529-H533 HydrophobicContact CB-CB 3.89Å; S530-H533 WeakPolarHBondContact CB-ND1 3.42Å; S530-H533 PolarHBondContact N-ND1 3.39Å; S530-H533 WeakPolarHBondContact O-CB 3.47Å; S530-H533 PolarHBondContact O-N 3.16Å; S530-H533 PolarHBondContact OG-ND1 3.26Å; H533-A536 WeakPolarHBondContact O-CB 3.35Å; H533-A536 PolarHBondContact O-N 3.28Å; H533-L537 WeakPolarHBondContact O-CG 3.42Å; H533-L537 PolarHBondContact O-N 3.21Å; H533-A556 PolarHBondContact CE1-O 2.88Å; H533-A556 VanDerWaalsContact CE1-O 3.29Å; H533-A556 PolarHBondContact NE2-O 3.35Å; H533-Q562 PolarHBondContact NE2-O 2.91Å; H533-A564 PolarHBondContact CD2-N 2.81Å; H533-L567 HydrophobicContact CB-CD1 3.78Å |
| 534 | I | 96.6 | Very high | 94.5 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 4% | 0.036 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.6 | -39 | 178.7 | -56.7 | -50.5 | 0 | 0 | 0 | 111.3 | F483 V490 D491 N529 S530 P531 A536 L537 N538 | F483-I534 HydrophobicContact CZ-CD1 4.05Å; F483-I534 HydrophobicContact CZ-CG1 4.36Å; V490-I534 HydrophobicContact CG2-CB 3.9Å; V490-I534 HydrophobicContact CG2-CG2 3.88Å; D491-I534 HydrophobicContact CB-CG2 3.84Å; N529-I534 HydrophobicContact CB-CD1 3.8Å; N529-I534 HydrophobicContact CB-CG1 4.31Å; S530-I534 PolarHBondContact O-N 2.98Å; S530-I534 VanDerWaalsContact O-N 3.14Å; P531-I534 PolarHBondContact O-N 3.06Å; I534-A536 VanDerWaalsContact C-N 3.31Å; I534-A536 PolarHBondContact O-N 3.36Å; I534-L537 HydrophobicContact CD1-CD1 4.05Å; I534-L537 PolarHBondContact O-N 3.04Å; I534-N538 PolarHBondContact O-N 2.98Å; I534-N538 VanDerWaalsContact O-N 3.16Å; I534-N538 PolarHBondContact O-ND2 3.35Å |
| 535 | A | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.7 | -37.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | V490 P531 L532 N538 N539 H540 I543 M544 L547 | V490-A535 HydrophobicContact CB-CB 4.22Å; V490-A535 HydrophobicContact CG2-CB 4.48Å; P531-A535 WeakPolarHBondContact O-CB 3.42Å; P531-A535 PolarHBondContact O-N 2.89Å; L532-A535 PolarHBondContact O-N 3.19Å; A535-N538 CarbonylContact O-C 3.54Å; A535-N538 PolarHBondContact O-N 3Å; A535-N539 PolarHBondContact O-N 3.49Å; A535-H540 PolarHBondContact O-N 2.7Å; A535-H540 VanDerWaalsContact O-N 3.1Å; A535-I543 HydrophobicContact CB-CG2 3.97Å; A535-M544 HydrophobicContact CB-CG 3.75Å; A535-L547 HydrophobicContact CB-CD1 4.02Å |
| 536 | A | 93.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.5 | -47.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L532 H533 I534 N538 N539 M544 A564 L567 L568 | L532-A536 WeakPolarHBondContact O-CB 3.49Å; L532-A536 PolarHBondContact O-N 2.77Å; H533-A536 WeakPolarHBondContact O-CB 3.35Å; H533-A536 PolarHBondContact O-N 3.28Å; I534-A536 VanDerWaalsContact C-N 3.31Å; I534-A536 PolarHBondContact O-N 3.36Å; A536-N538 PolarHBondContact O-N 3.08Å; A536-N538 VanDerWaalsContact O-N 3.09Å; A536-N539 WeakPolarHBondContact O-CA 3.21Å; A536-N539 PolarHBondContact O-N 3Å; A536-N539 PolarHBondContact O-OD1 3.29Å; A536-M544 HydrophobicContact CB-CE 3.8Å; A536-M544 HydrophobicContact CB-SD 3.96Å; A536-A564 HydrophobicContact CB-CB 4.15Å; A536-A564 WeakPolarHBondContact CB-O 3.46Å; A536-L567 HydrophobicContact CB-CB 4.13Å; A536-L568 HydrophobicContact CB-CD2 4.07Å; A536-L568 HydrophobicContact CB-CG 4.06Å |
| 537 | L | 94 | Very high | 94.5 | Very high | 80 Ų | 80 | 27 Ų | 27 | 42% | 0.419 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -57.2 | -26.2 | 174.3 | -76 | 170.2 | 0 | 0 | 0 | 113.3 | H533 I534 L567 | H533-L537 WeakPolarHBondContact O-CG 3.42Å; H533-L537 PolarHBondContact O-N 3.21Å; I534-L537 HydrophobicContact CD1-CD1 4.05Å; I534-L537 PolarHBondContact O-N 3.04Å; L537-L567 HydrophobicContact CD1-CD1 4.29Å; L537-L567 HydrophobicContact CD2-CB 4.04Å; L537-L567 HydrophobicContact CD2-CD1 4.3Å; L537-L567 HydrophobicContact CD2-CD2 3.98Å; L537-L567 HydrophobicContact CD2-CG 4.32Å; L537-L567 HydrophobicContact CG-CB 4.14Å; L537-L567 HydrophobicContact CG-CD1 3.98Å; L537-L567 HydrophobicContact CG-CG 4.45Å |
| 538 | N | 93.3 | Very high | 94.3 | Very high | 24 Ų | 24 | 25.1 Ų | 25.1 | 13% | 0.128 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 7.4 | 177 | -73.1 | -76.3 | 0 | 0 | 0 | 113.4 | V490 D491 K492 P506 I534 A535 A536 H540 | V490-N538 PolarHBondContact O-ND2 3.02Å; D491-N538 PolarHBondContact OD1-ND2 3.3Å; K492-N538 WeakPolarHBondContact CB-OD1 3.32Å; K492-N538 WeakPolarHBondContact CD-OD1 3.41Å; K492-N538 WeakPolarHBondContact CG-OD1 3.41Å; K492-N538 PolarHBondContact N-OD1 3.17Å; P506-N538 HydrophobicContact CG-CB 3.76Å; I534-N538 PolarHBondContact O-N 2.98Å; I534-N538 VanDerWaalsContact O-N 3.16Å; I534-N538 PolarHBondContact O-ND2 3.35Å; A535-N538 CarbonylContact O-C 3.54Å; A535-N538 PolarHBondContact O-N 3Å; A536-N538 PolarHBondContact O-N 3.08Å; A536-N538 VanDerWaalsContact O-N 3.09Å; N538-H540 PolarHBondContact O-N 3.35Å |
| 539 | N | 90.7 | Very high | 94.2 | Very high | 61 Ų | 61 | 30.9 Ų | 30.9 | 33% | 0.326 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 48.1 | 178.3 | -67.1 | -41.8 | 0 | 0 | 0 | 113.3 | A535 A536 P541 D569 E572 | A535-N539 PolarHBondContact O-N 3.49Å; A536-N539 WeakPolarHBondContact O-CA 3.21Å; A536-N539 PolarHBondContact O-N 3Å; A536-N539 PolarHBondContact O-OD1 3.29Å; N539-P541 VanDerWaalsContact O-CD 3.22Å; N539-P541 WeakPolarHBondContact O-CD 3.5Å; N539-D569 PolarHBondContact OD1-N 3.41Å; N539-E572 HydrophobicContact CB-CG 4.3Å |
| 540 | H | 91 | Very high | 94.2 | Very high | 45 Ų | 45 | 32.6 Ų | 32.6 | 21% | 0.208 | 17% | 0.168 | C | C | . | . | trans | -115 | 79.2 | -175.9 | -151.3 | -46.2 | 0 | 0 | 0 | 113.1 | P506 A535 N538 D542 I543 M544 | P506-H540 HydrophobicContact CG-CB 4.49Å; A535-H540 PolarHBondContact O-N 2.7Å; A535-H540 VanDerWaalsContact O-N 3.1Å; N538-H540 PolarHBondContact O-N 3.35Å; H540-D542 VanDerWaalsContact C-N 3.33Å; H540-D542 PolarHBondContact O-N 2.85Å; H540-I543 HydrophobicContact CB-CB 4.39Å; H540-I543 HydrophobicContact CB-CD1 4.23Å; H540-I543 PolarHBondContact O-N 3.05Å; H540-I543 VanDerWaalsContact O-N 3.16Å; H540-M544 WeakPolarHBondContact O-CG 3.34Å; H540-M544 PolarHBondContact O-N 2.96Å; H540-M544 VanDerWaalsContact O-N 3.13Å | ||
| 541 | P | 89.6 | Confident | 94 | Very high | 25 Ų | 25 | 34.4 Ų | 34.4 | 16% | 0.162 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -33.6 | -171.4 | 22.9 | -33.9 | 0 | 0 | 0 | 114.2 | N539 I543 M544 N545 L577 I578 | N539-P541 VanDerWaalsContact O-CD 3.22Å; N539-P541 WeakPolarHBondContact O-CD 3.5Å; P541-I543 VanDerWaalsContact C-N 3.34Å; P541-I543 PolarHBondContact O-N 3.24Å; P541-M544 WeakPolarHBondContact O-CB 3.46Å; P541-M544 PolarHBondContact O-N 3.07Å; P541-N545 WeakPolarHBondContact O-CB 3.31Å; P541-N545 PolarHBondContact O-N 3.39Å; P541-N545 PolarHBondContact O-ND2 3.15Å; P541-L577 HydrophobicContact CB-CB 4.24Å; P541-L577 HydrophobicContact CB-CD1 4.09Å; P541-L577 HydrophobicContact CG-CD1 3.8Å; P541-I578 HydrophobicContact CB-CD1 4.4Å |
| 542 | D | 92.4 | Very high | 93.7 | Very high | 99 Ų | 99 | 34.8 Ų | 34.8 | 53% | 0.529 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 178.1 | -63.2 | -32.5 | 0 | 0 | 0 | 112.8 | L508 H540 N545 L546 | L508-D542 HydrophobicContact CD1-CB 4.44Å; L508-D542 HydrophobicContact CD2-CB 4.3Å; H540-D542 VanDerWaalsContact C-N 3.33Å; H540-D542 PolarHBondContact O-N 2.85Å; D542-N545 PolarHBondContact O-N 3.44Å; D542-L546 PolarHBondContact O-N 3.32Å |
| 543 | I | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.1 | -39.7 | 177.3 | -66.8 | 177.1 | 0 | 0 | 0 | 109.4 | V490 P506 L508 T511 A535 H540 P541 N545 L546 L547 | V490-I543 HydrophobicContact CB-CG2 4.12Å; V490-I543 HydrophobicContact CG1-CG2 3.37Å; P506-I543 HydrophobicContact CB-CD1 3.37Å; L508-I543 HydrophobicContact CB-CG1 4.11Å; L508-I543 HydrophobicContact CD1-CG1 3.82Å; T511-I543 HydrophobicContact CG2-CG2 3.99Å; A535-I543 HydrophobicContact CB-CG2 3.97Å; H540-I543 HydrophobicContact CB-CB 4.39Å; H540-I543 HydrophobicContact CB-CD1 4.23Å; H540-I543 PolarHBondContact O-N 3.05Å; H540-I543 VanDerWaalsContact O-N 3.16Å; P541-I543 VanDerWaalsContact C-N 3.34Å; P541-I543 PolarHBondContact O-N 3.24Å; I543-N545 VanDerWaalsContact C-N 3.35Å; I543-N545 PolarHBondContact O-N 3.2Å; I543-L546 WeakPolarHBondContact O-CB 3.15Å; I543-L546 PolarHBondContact O-N 2.95Å; I543-L547 HydrophobicContact CG2-CD1 4Å; I543-L547 HydrophobicContact CG2-CG 4.42Å; I543-L547 WeakPolarHBondContact O-CB 3.27Å; I543-L547 VanDerWaalsContact O-CG 3.31Å; I543-L547 WeakPolarHBondContact O-CG 3.47Å; I543-L547 PolarHBondContact O-N 3.35Å |
| 544 | M | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 173.5 | -65.8 | 179.7 | 70.5 | 0 | 0 | 111.3 | L532 A535 A536 H540 P541 L546 L547 I548 A564 L568 I578 | L532-M544 HydrophobicContact CD1-CB 3.75Å; L532-M544 HydrophobicContact CD1-CE 4.05Å; L532-M544 HydrophobicContact CD1-CG 3.92Å; A535-M544 HydrophobicContact CB-CG 3.75Å; A536-M544 HydrophobicContact CB-CE 3.8Å; A536-M544 HydrophobicContact CB-SD 3.96Å; H540-M544 WeakPolarHBondContact O-CG 3.34Å; H540-M544 PolarHBondContact O-N 2.96Å; H540-M544 VanDerWaalsContact O-N 3.13Å; P541-M544 WeakPolarHBondContact O-CB 3.46Å; P541-M544 PolarHBondContact O-N 3.07Å; M544-L546 VanDerWaalsContact C-N 3.31Å; M544-L546 PolarHBondContact O-N 3.22Å; M544-L547 PolarHBondContact O-N 3.12Å; M544-I548 WeakPolarHBondContact O-CB 3.42Å; M544-I548 WeakPolarHBondContact O-CD1 3.38Å; M544-I548 WeakPolarHBondContact O-CG1 3.44Å; M544-I548 PolarHBondContact O-N 3.33Å; M544-A564 HydrophobicContact CE-CB 4.25Å; M544-L568 HydrophobicContact CE-CD1 3.98Å; M544-L568 HydrophobicContact CE-CD2 4.29Å; M544-L568 HydrophobicContact CE-CG 4.23Å; M544-L568 HydrophobicContact SD-CD1 4.32Å; M544-L568 HydrophobicContact SD-CD2 3.72Å; M544-L568 HydrophobicContact SD-CG 4.31Å; M544-I578 HydrophobicContact CB-CD1 3.44Å; M544-I578 VanDerWaalsContact CB-CD1 3.44Å; M544-I578 HydrophobicContact CE-CD1 3.82Å; M544-I578 HydrophobicContact CG-CD1 4.26Å; M544-I578 HydrophobicContact SD-CD1 3.83Å |
| 545 | N | 92.6 | Very high | 92.1 | Very high | 49 Ų | 49 | 38.3 Ų | 38.3 | 26% | 0.262 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59 | -41.3 | 176.3 | -82.9 | -36.2 | 0 | 0 | 0 | 112.2 | P541 D542 I543 K549 | P541-N545 WeakPolarHBondContact O-CB 3.31Å; P541-N545 PolarHBondContact O-N 3.39Å; P541-N545 PolarHBondContact O-ND2 3.15Å; D542-N545 PolarHBondContact O-N 3.44Å; I543-N545 VanDerWaalsContact C-N 3.35Å; I543-N545 PolarHBondContact O-N 3.2Å; N545-K549 WeakPolarHBondContact O-CB 3.33Å; N545-K549 VanDerWaalsContact O-CG 3.27Å; N545-K549 WeakPolarHBondContact O-CG 3.37Å; N545-K549 PolarHBondContact O-N 2.96Å |
| 546 | L | 95.7 | Very high | 91.8 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.1 | -50.9 | 173.6 | 174 | 63.7 | 0 | 0 | 0 | 111.2 | L508 T511 A512 I515 D542 I543 M544 I548 K549 S550 | L508-L546 HydrophobicContact CD1-CB 4.16Å; L508-L546 HydrophobicContact CD1-CD2 3.68Å; T511-L546 HydrophobicContact CG2-CD2 3.82Å; A512-L546 HydrophobicContact CB-CD2 3.86Å; I515-L546 HydrophobicContact CD1-CD2 4.21Å; I515-L546 HydrophobicContact CD1-CG 4.02Å; D542-L546 PolarHBondContact O-N 3.32Å; I543-L546 WeakPolarHBondContact O-CB 3.15Å; I543-L546 PolarHBondContact O-N 2.95Å; M544-L546 VanDerWaalsContact C-N 3.31Å; M544-L546 PolarHBondContact O-N 3.22Å; L546-I548 VanDerWaalsContact C-N 3.34Å; L546-I548 PolarHBondContact O-N 3.44Å; L546-K549 PolarHBondContact O-N 2.92Å; L546-S550 WeakPolarHBondContact O-CB 3.41Å; L546-S550 PolarHBondContact O-N 3.2Å; L546-S550 PolarHBondContact O-OG 2.89Å |
| 547 | L | 96.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.7 | -44.4 | 179.8 | -72.7 | 167.5 | 0 | 0 | 0 | 111.9 | L486 T511 I515 V521 P531 L532 A535 I543 M544 S550 G551 A552 | L486-L547 HydrophobicContact CD1-CD2 4.5Å; L486-L547 HydrophobicContact CD2-CD2 4.09Å; L486-L547 HydrophobicContact CG-CD2 4.46Å; T511-L547 HydrophobicContact CG2-CD2 4.43Å; I515-L547 HydrophobicContact CD1-CD2 3.92Å; V521-L547 HydrophobicContact CB-CD2 4.49Å; V521-L547 HydrophobicContact CG1-CD2 4.29Å; P531-L547 HydrophobicContact CB-CD1 4.13Å; P531-L547 HydrophobicContact CB-CD2 4.08Å; L532-L547 HydrophobicContact CB-CD1 4.37Å; L532-L547 HydrophobicContact CD1-CB 4.18Å; L532-L547 HydrophobicContact CD1-CD1 4.33Å; A535-L547 HydrophobicContact CB-CD1 4.02Å; I543-L547 HydrophobicContact CG2-CD1 4Å; I543-L547 HydrophobicContact CG2-CG 4.42Å; I543-L547 WeakPolarHBondContact O-CB 3.27Å; I543-L547 VanDerWaalsContact O-CG 3.31Å; I543-L547 WeakPolarHBondContact O-CG 3.47Å; I543-L547 PolarHBondContact O-N 3.35Å; M544-L547 PolarHBondContact O-N 3.12Å; L547-S550 CarbonylContact O-C 3.59Å; L547-S550 PolarHBondContact O-N 3.18Å; L547-S550 VanDerWaalsContact O-N 3.16Å; L547-G551 PolarHBondContact O-N 2.88Å; L547-A552 HydrophobicContact CB-CB 3.91Å; L547-A552 WeakPolarHBondContact O-CB 3.3Å; L547-A552 PolarHBondContact O-N 3.48Å |
| 548 | I | 92.7 | Very high | 91.6 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -47.8 | 177.8 | -66.2 | 161.1 | 0 | 0 | 0 | 110.5 | L532 M544 L546 S550 G551 F554 I578 H583 | L532-I548 HydrophobicContact CD1-CD1 4.28Å; L532-I548 HydrophobicContact CD1-CG1 3.98Å; L532-I548 HydrophobicContact CD2-CG1 4.13Å; M544-I548 WeakPolarHBondContact O-CB 3.42Å; M544-I548 WeakPolarHBondContact O-CD1 3.38Å; M544-I548 WeakPolarHBondContact O-CG1 3.44Å; M544-I548 PolarHBondContact O-N 3.33Å; L546-I548 VanDerWaalsContact C-N 3.34Å; L546-I548 PolarHBondContact O-N 3.44Å; I548-S550 PolarHBondContact O-N 3.26Å; I548-G551 PolarHBondContact O-N 3.4Å; I548-F554 HydrophobicContact CD1-CD2 3.63Å; I548-F554 HydrophobicContact CD1-CE2 4.03Å; I548-F554 HydrophobicContact CG1-CD2 4.15Å; I548-I578 HydrophobicContact CD1-CD1 4.42Å; I548-I578 HydrophobicContact CD1-CG2 3.98Å; I548-H583 WeakPolarHBondContact CG2-ND1 3.19Å |
| 549 | K | 92.7 | Very high | 91.6 | Very high | 183 Ų | 183 | 40.1 Ų | 40.1 | 80% | 0.796 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -59.3 | -29.7 | 175.4 | -77.1 | 175.6 | 179.4 | 178.8 | 0 | 112.5 | N545 L546 G551 | N545-K549 WeakPolarHBondContact O-CB 3.33Å; N545-K549 VanDerWaalsContact O-CG 3.27Å; N545-K549 WeakPolarHBondContact O-CG 3.37Å; N545-K549 PolarHBondContact O-N 2.96Å; L546-K549 PolarHBondContact O-N 2.92Å; K549-G551 VanDerWaalsContact C-N 3.32Å |
| 550 | S | 95.3 | Very high | 91.6 | Very high | 47 Ų | 47 | 42.9 Ų | 42.9 | 33% | 0.329 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 4.2 | 177.5 | -59.6 | 0 | 0 | 0 | 0 | 114.2 | I515 L546 L547 I548 | I515-S550 WeakPolarHBondContact CG2-OG 3.21Å; L546-S550 WeakPolarHBondContact O-CB 3.41Å; L546-S550 PolarHBondContact O-N 3.2Å; L546-S550 PolarHBondContact O-OG 2.89Å; L547-S550 CarbonylContact O-C 3.59Å; L547-S550 PolarHBondContact O-N 3.18Å; L547-S550 VanDerWaalsContact O-N 3.16Å; I548-S550 PolarHBondContact O-N 3.26Å |
| 551 | G | 91.6 | Very high | 91.6 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.8 | 15.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | N522 L547 I548 K549 H553 | N522-G551 PolarHBondContact ND2-O 3.02Å; L547-G551 PolarHBondContact O-N 2.88Å; I548-G551 PolarHBondContact O-N 3.4Å; K549-G551 VanDerWaalsContact C-N 3.32Å; G551-H553 PolarHBondContact O-N 2.88Å |
| 552 | A | 91.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | trans | -65.7 | 132 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V521 N522 L532 L547 F554 | V521-A552 HydrophobicContact CB-CB 4.39Å; N522-A552 WeakPolarHBondContact OD1-CA 3.47Å; L532-A552 HydrophobicContact CB-CB 4.24Å; L532-A552 HydrophobicContact CD2-CB 4.19Å; L547-A552 HydrophobicContact CB-CB 3.91Å; L547-A552 WeakPolarHBondContact O-CB 3.3Å; L547-A552 PolarHBondContact O-N 3.48Å; A552-F554 PolarHBondContact O-N 3.25Å | ||
| 553 | H | 86.2 | Confident | 91.6 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 32% | 0.319 | 23% | 0.234 | S | C | . | . | trans | -75.2 | 109 | 178.9 | -68.7 | -63.8 | 0 | 0 | 0 | 111.5 | N522 G551 D555 A556 | N522-H553 PolarHBondContact OD1-CD2 3.38Å; N522-H553 VanDerWaalsContact OD1-CD2 3.29Å; N522-H553 PolarHBondContact OD1-N 3.49Å; G551-H553 PolarHBondContact O-N 2.88Å; H553-D555 VanDerWaalsContact C-N 3.33Å; H553-D555 PolarHBondContact O-N 3.26Å; H553-A556 HydrophobicContact CB-CB 3.98Å; H553-A556 WeakPolarHBondContact O-CB 3.11Å; H553-A556 PolarHBondContact O-N 2.9Å | ||
| 554 | F | 85.1 | Confident | 91.3 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -36.6 | -178.2 | -168.9 | -91.5 | 0 | 0 | 0 | 113.6 | L532 I548 A552 I578 P580 H583 | L532-F554 HydrophobicContact CD2-CD2 4.23Å; I548-F554 HydrophobicContact CD1-CD2 3.63Å; I548-F554 HydrophobicContact CD1-CE2 4.03Å; I548-F554 HydrophobicContact CG1-CD2 4.15Å; A552-F554 PolarHBondContact O-N 3.25Å; F554-I578 HydrophobicContact CD2-CG2 4.36Å; F554-I578 HydrophobicContact CE2-CG2 3.54Å; F554-I578 HydrophobicContact CZ-CG2 4.08Å; F554-P580 HydrophobicContact CD1-CB 4.41Å; F554-P580 HydrophobicContact CE1-CB 3.58Å; F554-P580 HydrophobicContact CE1-CG 3.81Å; F554-P580 HydrophobicContact CZ-CB 4.24Å; F554-P580 HydrophobicContact CZ-CG 4.02Å; F554-H583 HydrophobicContact CB-CB 3.64Å; F554-H583 HydrophobicContact CD1-CB 4.2Å; F554-H583 HydrophobicContact CD2-CB 4.32Å; F554-H583 HydrophobicContact CG-CB 3.78Å |
| 555 | D | 85.7 | Confident | 90.9 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 3.6 | -176.6 | -71.6 | -31.4 | 0 | 0 | 0 | 114 | H553 T584 C588 R592 H616 | H553-D555 VanDerWaalsContact C-N 3.33Å; H553-D555 PolarHBondContact O-N 3.26Å; D555-T584 PolarHBondContact OD1-OG1 3.29Å; D555-T584 WeakPolarHBondContact OD2-CA 3.39Å; D555-T584 VanDerWaalsContact OD2-CB 3.29Å; D555-T584 WeakPolarHBondContact OD2-CB 3.26Å; D555-T584 VanDerWaalsContact OD2-CG2 3.25Å; D555-T584 WeakPolarHBondContact OD2-CG2 3.19Å; D555-T584 PolarHBondContact OD2-OG1 3.28Å; D555-C588 HydrophobicContact CB-CB 4.11Å; D555-C588 WeakPolarHBondContact OD2-CB 3.49Å; D555-R592 IonicContact OD1-CZ 3.87Å; D555-R592 IonicContact OD1-NH1 3.77Å; D555-R592 IonicContact OD1-NH2 3.12Å; D555-R592 PolarHBondContact OD1-NH2 3.17Å; D555-R592 IonicContact OD2-CZ 2.73Å; D555-R592 IonicContact OD2-NH1 2.66Å; D555-R592 IonicContact OD2-NH2 3.62Å; D555-H616 PolarHBondContact O-CD2 2.93Å |
| 556 | A | 88.2 | Confident | 90.7 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | trans | -64 | 140.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H533 H553 T563 L615 | H533-A556 PolarHBondContact CE1-O 2.88Å; H533-A556 VanDerWaalsContact CE1-O 3.29Å; H533-A556 PolarHBondContact NE2-O 3.35Å; H553-A556 HydrophobicContact CB-CB 3.98Å; H553-A556 WeakPolarHBondContact O-CB 3.11Å; H553-A556 PolarHBondContact O-N 2.9Å; A556-T563 WeakPolarHBondContact O-CA 3.15Å; A556-L615 CarbonylContact C-O 3.51Å; A556-L615 VanDerWaalsContact CA-O 3.25Å; A556-L615 WeakPolarHBondContact CA-O 3.48Å; A556-L615 HydrophobicContact CB-CB 4.48Å | ||
| 557 | T | 91.2 | Very high | 90.4 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 9% | 0.092 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -102.9 | 151.5 | 175.6 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | Q562 T563 L615 H616 R617 | T557-Q562 WeakPolarHBondContact CA-O 3.18Å; T557-T563 HydrophobicContact CG2-CG2 3.97Å; T557-L615 PolarHBondContact N-O 3.27Å; T557-L615 PolarHBondContact OG1-O 3.36Å; T557-H616 VanDerWaalsContact OG1-C 3.26Å; T557-R617 WeakPolarHBondContact CB-O 3.44Å; T557-R617 PolarHBondContact OG1-N 3.48Å; T557-R617 VanDerWaalsContact OG1-N 3.17Å; T557-R617 PolarHBondContact OG1-O 3Å |
| 558 | N | 92.5 | Very high | 89.9 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | trans | -88.4 | -176.2 | 166.3 | 70.6 | 5.8 | 0 | 0 | 0 | 111.3 | D527 N529 H560 K561 Q562 | D527-N558 WeakPolarHBondContact O-CB 3.42Å; N529-N558 VanDerWaalsContact OD1-CB 3.27Å; N529-N558 WeakPolarHBondContact OD1-CB 3.37Å; N529-N558 PolarHBondContact OD1-ND2 3.33Å; N558-H560 PolarHBondContact O-N 2.91Å; N558-H560 WeakPolarHBondContact OD1-CA 3.34Å; N558-H560 WeakPolarHBondContact OD1-CB 3.49Å; N558-H560 PolarHBondContact OD1-N 3.47Å; N558-K561 PolarHBondContact O-N 2.89Å; N558-K561 PolarHBondContact OD1-N 3.44Å; N558-Q562 PolarHBondContact N-O 2.89Å; N558-Q562 PolarHBondContact OD1-N 3.11Å; N558-Q562 PolarHBondContact OD1-O 3.3Å | ||
| 559 | L | 92.4 | Very high | 89.3 | Confident | 122 Ų | 122 | 51.7 Ų | 51.7 | 64% | 0.639 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -23.5 | 179.5 | -169.6 | 67.3 | 0 | 0 | 0 | 113.5 | D527 D528 K561 | D527-L559 VanDerWaalsContact O-CB 3.23Å; D527-L559 WeakPolarHBondContact O-CB 3.44Å; D527-L559 PolarHBondContact O-N 3.47Å; D528-L559 HydrophobicContact CB-CB 4.48Å; L559-K561 VanDerWaalsContact C-N 3.3Å |
| 560 | H | 92.3 | Very high | 88.3 | Confident | 119 Ų | 119 | 50.8 Ų | 50.8 | 55% | 0.551 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 5.9 | 177.2 | -59.2 | -88.2 | 0 | 0 | 0 | 113.3 | N558 Q562 | N558-H560 PolarHBondContact O-N 2.91Å; N558-H560 WeakPolarHBondContact OD1-CA 3.34Å; N558-H560 WeakPolarHBondContact OD1-CB 3.49Å; N558-H560 PolarHBondContact OD1-N 3.47Å; H560-Q562 HydrophobicContact CB-CG 4.07Å; H560-Q562 PolarHBondContact O-N 2.84Å |
| 561 | K | 90.2 | Very high | 87.2 | Confident | 144 Ų | 144 | 56 Ų | 56 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 62.4 | 25.1 | -176 | -53.7 | -178.3 | 174.9 | -176.7 | 0 | 113.8 | N558 L559 R617 | N558-K561 PolarHBondContact O-N 2.89Å; N558-K561 PolarHBondContact OD1-N 3.44Å; L559-K561 VanDerWaalsContact C-N 3.3Å; K561-R617 WeakPolarHBondContact CE-OXT 3.25Å |
| 562 | Q | 91 | Very high | 86 | Confident | 72 Ų | 72 | 56.1 Ų | 56.1 | 34% | 0.336 | 27% | 0.273 | S | S | . | . | trans | -98.5 | 131.4 | 178.4 | -60.8 | 178.2 | -71.7 | 0 | 0 | 108.7 | H533 T557 N558 H560 D566 L567 | H533-Q562 PolarHBondContact NE2-O 2.91Å; T557-Q562 WeakPolarHBondContact CA-O 3.18Å; N558-Q562 PolarHBondContact N-O 2.89Å; N558-Q562 PolarHBondContact OD1-N 3.11Å; N558-Q562 PolarHBondContact OD1-O 3.3Å; H560-Q562 HydrophobicContact CB-CG 4.07Å; H560-Q562 PolarHBondContact O-N 2.84Å; Q562-D566 HydrophobicContact CB-CB 4.11Å; Q562-L567 HydrophobicContact CB-CD2 3.92Å; Q562-L567 HydrophobicContact CB-CG 4.19Å; Q562-L567 HydrophobicContact CG-CD2 4.37Å | ||
| 563 | T | 90.3 | Very high | 84.6 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -80.4 | 167.3 | 167.5 | 66.7 | 0 | 0 | 0 | 0 | 110.3 | A556 T557 S565 D566 L567 | A556-T563 WeakPolarHBondContact O-CA 3.15Å; T557-T563 HydrophobicContact CG2-CG2 3.97Å; T563-S565 PolarHBondContact O-N 2.98Å; T563-S565 PolarHBondContact OG1-N 2.66Å; T563-D566 WeakPolarHBondContact CB-OD2 3.49Å; T563-D566 PolarHBondContact N-OD2 2.65Å; T563-D566 PolarHBondContact O-N 2.82Å; T563-D566 VanDerWaalsContact OG1-CG 3.25Å; T563-D566 PolarHBondContact OG1-N 3.32Å; T563-D566 PolarHBondContact OG1-OD2 3.29Å; T563-L567 WeakPolarHBondContact O-CG 3.39Å; T563-L567 PolarHBondContact O-N 2.88Å |
| 564 | A | 90 | Very high | 83.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -30 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L532 H533 A536 M544 L567 | L532-A564 HydrophobicContact CB-CB 4.47Å; L532-A564 HydrophobicContact CD2-CB 3.99Å; L532-A564 HydrophobicContact CG-CB 3.65Å; H533-A564 PolarHBondContact CD2-N 2.81Å; A536-A564 HydrophobicContact CB-CB 4.15Å; A536-A564 WeakPolarHBondContact CB-O 3.46Å; M544-A564 HydrophobicContact CE-CB 4.25Å; A564-L567 PolarHBondContact O-N 2.67Å |
| 565 | S | 86.4 | Confident | 82.5 | Confident | 23 Ų | 23 | 65.2 Ų | 65.2 | 16% | 0.161 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -34.7 | 175.4 | -167.7 | 0 | 0 | 0 | 0 | 112.6 | T563 L567 L568 | T563-S565 PolarHBondContact O-N 2.98Å; T563-S565 PolarHBondContact OG1-N 2.66Å; S565-L567 PolarHBondContact O-N 3.35Å; S565-L568 PolarHBondContact O-N 3.19Å |
| 566 | D | 88.1 | Confident | 81.4 | Confident | 98 Ų | 98 | 70.4 Ų | 70.4 | 52% | 0.524 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -18.3 | -179.9 | -56.5 | -49 | 0 | 0 | 0 | 112.4 | Q562 T563 | Q562-D566 HydrophobicContact CB-CB 4.11Å; T563-D566 WeakPolarHBondContact CB-OD2 3.49Å; T563-D566 PolarHBondContact N-OD2 2.65Å; T563-D566 PolarHBondContact O-N 2.82Å; T563-D566 VanDerWaalsContact OG1-CG 3.25Å; T563-D566 PolarHBondContact OG1-N 3.32Å; T563-D566 PolarHBondContact OG1-OD2 3.29Å |
| 567 | L | 89.4 | Confident | 80.4 | Confident | 24 Ų | 24 | 74.6 Ų | 74.6 | 13% | 0.126 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -10 | -179.9 | -62.1 | 178.4 | 0 | 0 | 0 | 113.5 | H533 A536 L537 Q562 T563 A564 S565 | H533-L567 HydrophobicContact CB-CD1 3.78Å; A536-L567 HydrophobicContact CB-CB 4.13Å; L537-L567 HydrophobicContact CD1-CD1 4.29Å; L537-L567 HydrophobicContact CD2-CB 4.04Å; L537-L567 HydrophobicContact CD2-CD1 4.3Å; L537-L567 HydrophobicContact CD2-CD2 3.98Å; L537-L567 HydrophobicContact CD2-CG 4.32Å; L537-L567 HydrophobicContact CG-CB 4.14Å; L537-L567 HydrophobicContact CG-CD1 3.98Å; L537-L567 HydrophobicContact CG-CG 4.45Å; Q562-L567 HydrophobicContact CB-CD2 3.92Å; Q562-L567 HydrophobicContact CB-CG 4.19Å; Q562-L567 HydrophobicContact CG-CD2 4.37Å; T563-L567 WeakPolarHBondContact O-CG 3.39Å; T563-L567 PolarHBondContact O-N 2.88Å; A564-L567 PolarHBondContact O-N 2.67Å; S565-L567 PolarHBondContact O-N 3.35Å |
| 568 | L | 85.9 | Confident | 79.4 | Confident | 23 Ų | 23 | 75 Ų | 75 | 12% | 0.12 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -72 | 142.1 | 174.9 | -78.6 | 172.9 | 0 | 0 | 0 | 110.8 | A536 M544 S565 E570 I573 | A536-L568 HydrophobicContact CB-CD2 4.07Å; A536-L568 HydrophobicContact CB-CG 4.06Å; M544-L568 HydrophobicContact CE-CD1 3.98Å; M544-L568 HydrophobicContact CE-CD2 4.29Å; M544-L568 HydrophobicContact CE-CG 4.23Å; M544-L568 HydrophobicContact SD-CD1 4.32Å; M544-L568 HydrophobicContact SD-CD2 3.72Å; M544-L568 HydrophobicContact SD-CG 4.31Å; S565-L568 PolarHBondContact O-N 3.19Å; L568-E570 PolarHBondContact O-N 3.5Å; L568-I573 HydrophobicContact CB-CD1 4.1Å; L568-I573 HydrophobicContact CB-CG1 3.77Å; L568-I573 HydrophobicContact CD1-CG1 4.46Å |
| 569 | D | 78.9 | Confident | 78.5 | Confident | 71 Ų | 71 | 78.9 Ų | 78.9 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | trans | -59.2 | 136.5 | 169.9 | -172.6 | -17.2 | 0 | 0 | 0 | 110.1 | N539 K571 E572 I573 | N539-D569 PolarHBondContact OD1-N 3.41Å; D569-K571 PolarHBondContact O-N 3.37Å; D569-K571 PolarHBondContact OD1-N 3.36Å; D569-E572 PolarHBondContact O-N 3.36Å; D569-I573 PolarHBondContact O-N 3.27Å; D569-I573 VanDerWaalsContact O-N 3.13Å | ||
| 570 | E | 72.7 | Confident | 77.5 | Confident | 164 Ų | 164 | 75.5 Ų | 75.5 | 77% | 0.766 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -49.9 | -34.5 | 178.1 | -67.3 | -177.7 | 172.9 | 0 | 0 | 112 | L568 E572 I573 A574 | L568-E570 PolarHBondContact O-N 3.5Å; E570-E572 PolarHBondContact O-N 3.12Å; E570-I573 PolarHBondContact O-N 3.04Å; E570-A574 PolarHBondContact O-N 2.72Å; E570-A574 VanDerWaalsContact O-N 3.08Å |
| 571 | K | 70.9 | Confident | 76.5 | Confident | 155 Ų | 155 | 76.3 Ų | 76.3 | 67% | 0.674 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.2 | -34.2 | 177.2 | -68.1 | 179.9 | -177.7 | 172.6 | 0 | 113.7 | D569 | D569-K571 PolarHBondContact O-N 3.37Å; D569-K571 PolarHBondContact OD1-N 3.36Å |
| 572 | E | 66.7 | Low | 76 | Confident | 42 Ų | 42 | 74.6 Ų | 74.6 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -80.6 | -34.5 | 178.1 | -65.6 | -54.9 | 132 | 0 | 0 | 111.3 | N539 D569 E570 A574 K575 | N539-E572 HydrophobicContact CB-CG 4.3Å; D569-E572 PolarHBondContact O-N 3.36Å; E570-E572 PolarHBondContact O-N 3.12Å; E572-A574 VanDerWaalsContact C-N 3.26Å; E572-A574 PolarHBondContact O-N 2.93Å; E572-K575 VanDerWaalsContact CD-NZ 3.27Å; E572-K575 WeakPolarHBondContact O-CB 3.46Å; E572-K575 PolarHBondContact O-N 3.1Å; E572-K575 VanDerWaalsContact O-N 3.1Å; E572-K575 IonicContact OE1-NZ 3.2Å; E572-K575 PolarHBondContact OE1-NZ 3.49Å; E572-K575 WeakPolarHBondContact OE2-CD 3.18Å; E572-K575 IonicContact OE2-NZ 3.85Å; E572-K575 PolarHBondContact OE2-NZ 3.03Å; E572-K575 VanDerWaalsContact OE2-NZ 3.09Å |
| 573 | I | 63.4 | Low | 75.4 | Confident | 76 Ų | 76 | 74 Ų | 74 | 39% | 0.39 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.3 | -43.9 | 170.9 | -63.2 | 171.7 | 0 | 0 | 0 | 109.9 | L568 D569 E570 K575 N576 | L568-I573 HydrophobicContact CB-CD1 4.1Å; L568-I573 HydrophobicContact CB-CG1 3.77Å; L568-I573 HydrophobicContact CD1-CG1 4.46Å; D569-I573 PolarHBondContact O-N 3.27Å; D569-I573 VanDerWaalsContact O-N 3.13Å; E570-I573 PolarHBondContact O-N 3.04Å; I573-K575 PolarHBondContact O-N 3.24Å; I573-N576 PolarHBondContact O-N 2.9Å |
| 574 | A | 60.1 | Low | 74.9 | Confident | 79 Ų | 79 | 75.1 Ų | 75.1 | 65% | 0.653 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E570 E572 N576 | E570-A574 PolarHBondContact O-N 2.72Å; E570-A574 VanDerWaalsContact O-N 3.08Å; E572-A574 VanDerWaalsContact C-N 3.26Å; E572-A574 PolarHBondContact O-N 2.93Å; A574-N576 PolarHBondContact O-N 2.92Å |
| 575 | K | 67.1 | Low | 74.7 | Confident | 120 Ų | 120 | 78.2 Ų | 78.2 | 52% | 0.522 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -4.1 | 174.8 | -65.6 | 177.5 | -171.6 | 164.7 | 0 | 113.2 | E572 I573 L577 | E572-K575 VanDerWaalsContact CD-NZ 3.27Å; E572-K575 WeakPolarHBondContact O-CB 3.46Å; E572-K575 PolarHBondContact O-N 3.1Å; E572-K575 VanDerWaalsContact O-N 3.1Å; E572-K575 IonicContact OE1-NZ 3.2Å; E572-K575 PolarHBondContact OE1-NZ 3.49Å; E572-K575 WeakPolarHBondContact OE2-CD 3.18Å; E572-K575 IonicContact OE2-NZ 3.85Å; E572-K575 PolarHBondContact OE2-NZ 3.03Å; E572-K575 VanDerWaalsContact OE2-NZ 3.09Å; I573-K575 PolarHBondContact O-N 3.24Å; K575-L577 HydrophobicContact CB-CD1 4.04Å; K575-L577 HydrophobicContact CB-CG 3.82Å; K575-L577 HydrophobicContact CD-CD1 4.15Å; K575-L577 PolarHBondContact O-N 2.88Å; K575-L577 VanDerWaalsContact O-N 3.12Å |
| 576 | N | 62 | Low | 74.7 | Confident | 114 Ų | 114 | 84 Ų | 84 | 61% | 0.61 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 28.4 | 179.6 | -79.7 | -28.4 | 0 | 0 | 0 | 114.2 | I573 A574 I578 | I573-N576 PolarHBondContact O-N 2.9Å; A574-N576 PolarHBondContact O-N 2.92Å; N576-I578 VanDerWaalsContact C-N 3.29Å; N576-I578 PolarHBondContact O-N 3.17Å |
| 577 | L | 67 | Low | 74.6 | Confident | 89 Ų | 89 | 85 Ų | 85 | 47% | 0.466 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -68.5 | -28.3 | -173.6 | -68.2 | 172.3 | 0 | 0 | 0 | 113.1 | P541 K575 | P541-L577 HydrophobicContact CB-CB 4.24Å; P541-L577 HydrophobicContact CB-CD1 4.09Å; P541-L577 HydrophobicContact CG-CD1 3.8Å; K575-L577 HydrophobicContact CB-CD1 4.04Å; K575-L577 HydrophobicContact CB-CG 3.82Å; K575-L577 HydrophobicContact CD-CD1 4.15Å; K575-L577 PolarHBondContact O-N 2.88Å; K575-L577 VanDerWaalsContact O-N 3.12Å |
| 578 | I | 70.1 | Confident | 74.5 | Confident | 22 Ų | 22 | 84.2 Ų | 84.2 | 11% | 0.113 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -135.8 | 117.4 | 175.4 | -54.2 | 175.7 | 0 | 0 | 0 | 107.1 | P541 M544 I548 F554 N576 P580 | P541-I578 HydrophobicContact CB-CD1 4.4Å; M544-I578 HydrophobicContact CB-CD1 3.44Å; M544-I578 VanDerWaalsContact CB-CD1 3.44Å; M544-I578 HydrophobicContact CE-CD1 3.82Å; M544-I578 HydrophobicContact CG-CD1 4.26Å; M544-I578 HydrophobicContact SD-CD1 3.83Å; I548-I578 HydrophobicContact CD1-CD1 4.42Å; I548-I578 HydrophobicContact CD1-CG2 3.98Å; F554-I578 HydrophobicContact CD2-CG2 4.36Å; F554-I578 HydrophobicContact CE2-CG2 3.54Å; F554-I578 HydrophobicContact CZ-CG2 4.08Å; N576-I578 VanDerWaalsContact C-N 3.29Å; N576-I578 PolarHBondContact O-N 3.17Å; I578-P580 WeakPolarHBondContact O-CD 3.46Å |
| 579 | Q | 72.8 | Confident | 74.5 | Confident | 87 Ų | 87 | 87.2 Ų | 87.2 | 41% | 0.407 | 45% | 0.452 | S | S | . | . | trans | -94.3 | 114.4 | 178.5 | -68.4 | -175.7 | -6.6 | 0 | 0 | 109.6 | I581 N582 H583 | Q579-I581 HydrophobicContact CB-CG2 4.26Å; Q579-I581 PolarHBondContact O-N 3.21Å; Q579-I581 VanDerWaalsContact O-N 3.12Å; Q579-N582 PolarHBondContact O-N 3.06Å; Q579-N582 PolarHBondContact OE1-ND2 3.01Å; Q579-H583 PolarHBondContact O-CD2 3.42Å | ||
| 580 | P | 71.8 | Confident | 75 | Confident | 51 Ų | 51 | 86.3 Ų | 86.3 | 33% | 0.331 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -50.8 | -39.2 | 178.9 | -31.3 | 37.3 | 0 | 0 | 0 | 113.8 | F554 I578 N582 H583 T584 | F554-P580 HydrophobicContact CD1-CB 4.41Å; F554-P580 HydrophobicContact CE1-CB 3.58Å; F554-P580 HydrophobicContact CE1-CG 3.81Å; F554-P580 HydrophobicContact CZ-CB 4.24Å; F554-P580 HydrophobicContact CZ-CG 4.02Å; I578-P580 WeakPolarHBondContact O-CD 3.46Å; P580-N582 PolarHBondContact O-N 2.99Å; P580-N582 VanDerWaalsContact O-N 3.1Å; P580-H583 PolarHBondContact O-N 3.21Å; P580-T584 PolarHBondContact O-N 3.18Å; P580-T584 PolarHBondContact O-OG1 3.16Å |
| 581 | I | 72.7 | Confident | 75.8 | Confident | 136 Ų | 136 | 78.6 Ų | 78.6 | 70% | 0.697 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -59.6 | -25.3 | -177.5 | -159.7 | 163.8 | 0 | 0 | 0 | 113.7 | Q579 H583 | Q579-I581 HydrophobicContact CB-CG2 4.26Å; Q579-I581 PolarHBondContact O-N 3.21Å; Q579-I581 VanDerWaalsContact O-N 3.12Å; I581-H583 VanDerWaalsContact C-N 3.26Å; I581-H583 PolarHBondContact O-N 2.8Å |
| 582 | N | 78.5 | Confident | 76.5 | Confident | 109 Ų | 109 | 74.7 Ų | 74.7 | 58% | 0.583 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -80.4 | -9.4 | 178.6 | -65.8 | -20 | 0 | 0 | 0 | 112.9 | Q579 P580 | Q579-N582 PolarHBondContact O-N 3.06Å; Q579-N582 PolarHBondContact OE1-ND2 3.01Å; P580-N582 PolarHBondContact O-N 2.99Å; P580-N582 VanDerWaalsContact O-N 3.1Å |
| 583 | H | 78.5 | Confident | 77.6 | Confident | 59 Ų | 59 | 76.2 Ų | 76.2 | 27% | 0.273 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -16.4 | -174.2 | -56.1 | -55.2 | 0 | 0 | 0 | 113.3 | I548 F554 Q579 P580 I581 T585 | I548-H583 WeakPolarHBondContact CG2-ND1 3.19Å; F554-H583 HydrophobicContact CB-CB 3.64Å; F554-H583 HydrophobicContact CD1-CB 4.2Å; F554-H583 HydrophobicContact CD2-CB 4.32Å; F554-H583 HydrophobicContact CG-CB 3.78Å; Q579-H583 PolarHBondContact O-CD2 3.42Å; P580-H583 PolarHBondContact O-N 3.21Å; I581-H583 VanDerWaalsContact C-N 3.26Å; I581-H583 PolarHBondContact O-N 2.8Å; H583-T585 PolarHBondContact O-N 3.4Å |
| 584 | T | 80.8 | Confident | 78.9 | Confident | 36 Ų | 36 | 74.2 Ų | 74.2 | 22% | 0.221 | 40% | 0.402 | C | S | . | . | trans | -73.8 | 115.1 | 173.7 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | D555 P580 C588 L589 | D555-T584 PolarHBondContact OD1-OG1 3.29Å; D555-T584 WeakPolarHBondContact OD2-CA 3.39Å; D555-T584 VanDerWaalsContact OD2-CB 3.29Å; D555-T584 WeakPolarHBondContact OD2-CB 3.26Å; D555-T584 VanDerWaalsContact OD2-CG2 3.25Å; D555-T584 WeakPolarHBondContact OD2-CG2 3.19Å; D555-T584 PolarHBondContact OD2-OG1 3.28Å; P580-T584 PolarHBondContact O-N 3.18Å; P580-T584 PolarHBondContact O-OG1 3.16Å; T584-C588 HydrophobicContact CG2-CB 4.31Å; T584-L589 HydrophobicContact CG2-CD2 3.67Å; T584-L589 HydrophobicContact CG2-CG 3.84Å | ||
| 585 | T | 84.6 | Confident | 80.2 | Confident | 65 Ų | 65 | 72 Ų | 72 | 40% | 0.399 | 38% | 0.38 | S | S | . | . | trans | -89.9 | 161.3 | 176.7 | 74.4 | 0 | 0 | 0 | 0 | 111.7 | H583 Q587 C588 L589 | H583-T585 PolarHBondContact O-N 3.4Å; T585-Q587 PolarHBondContact O-N 3.17Å; T585-Q587 PolarHBondContact OG1-N 3.48Å; T585-C588 WeakPolarHBondContact O-CA 3.39Å; T585-C588 WeakPolarHBondContact O-CB 3.35Å; T585-C588 PolarHBondContact O-N 3.04Å; T585-C588 PolarHBondContact OG1-N 3.35Å; T585-C588 PolarHBondContact OG1-SG 3.02Å; T585-L589 PolarHBondContact O-N 3.19Å; T585-L589 VanDerWaalsContact O-N 3.07Å | ||
| 586 | L | 86.2 | Confident | 81.1 | Confident | 145 Ų | 145 | 72.1 Ų | 72.1 | 76% | 0.759 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -57.2 | -33.9 | 173.1 | -176.4 | 64.3 | 0 | 0 | 0 | 112.1 | L589 A590 | L586-L589 PolarHBondContact O-N 3.2Å; L586-A590 PolarHBondContact O-N 3.27Å |
| 587 | Q | 86.1 | Confident | 82.6 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 55% | 0.551 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | 173.9 | -68.1 | 179.7 | -17.1 | 0 | 0 | 111.4 | T585 L589 A590 A591 F612 | T585-Q587 PolarHBondContact O-N 3.17Å; T585-Q587 PolarHBondContact OG1-N 3.48Å; Q587-L589 VanDerWaalsContact C-N 3.35Å; Q587-L589 PolarHBondContact O-N 3.3Å; Q587-A590 PolarHBondContact O-N 3.42Å; Q587-A591 WeakPolarHBondContact O-CB 3.37Å; Q587-A591 PolarHBondContact O-N 3.17Å; Q587-F612 HydrophobicContact CB-CE1 3.71Å; Q587-F612 HydrophobicContact CB-CZ 3.76Å; Q587-F612 WeakPolarHBondContact O-CE1 3.4Å |
| 588 | C | 87.2 | Confident | 83.6 | Confident | 8 Ų | 8 | 80 Ų | 80 | 5% | 0.054 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | D555 T584 T585 A590 A591 R592 H616 | D555-C588 HydrophobicContact CB-CB 4.11Å; D555-C588 WeakPolarHBondContact OD2-CB 3.49Å; T584-C588 HydrophobicContact CG2-CB 4.31Å; T585-C588 WeakPolarHBondContact O-CA 3.39Å; T585-C588 WeakPolarHBondContact O-CB 3.35Å; T585-C588 PolarHBondContact O-N 3.04Å; T585-C588 PolarHBondContact OG1-N 3.35Å; T585-C588 PolarHBondContact OG1-SG 3.02Å; C588-A590 PolarHBondContact O-N 2.96Å; C588-A591 PolarHBondContact O-N 2.61Å; C588-R592 WeakPolarHBondContact O-CG 3.43Å; C588-R592 PolarHBondContact O-N 3.48Å; C588-H616 WeakPolarHBondContact CA-NE2 3.39Å; C588-H616 WeakPolarHBondContact CB-NE2 3.47Å |
| 589 | L | 86.9 | Confident | 84.6 | Confident | 86 Ų | 86 | 83 Ų | 83 | 45% | 0.45 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 175.6 | -65.3 | 175.9 | 0 | 0 | 0 | 111.8 | T584 T585 L586 Q587 R592 V593 | T584-L589 HydrophobicContact CG2-CD2 3.67Å; T584-L589 HydrophobicContact CG2-CG 3.84Å; T585-L589 PolarHBondContact O-N 3.19Å; T585-L589 VanDerWaalsContact O-N 3.07Å; L586-L589 PolarHBondContact O-N 3.2Å; Q587-L589 VanDerWaalsContact C-N 3.35Å; Q587-L589 PolarHBondContact O-N 3.3Å; L589-R592 PolarHBondContact O-N 3.17Å; L589-V593 WeakPolarHBondContact O-CG2 3.49Å; L589-V593 PolarHBondContact O-N 2.99Å; L589-V593 VanDerWaalsContact O-N 3.07Å |
| 590 | A | 89.2 | Confident | 85.5 | Confident | 52 Ų | 52 | 86.7 Ų | 86.7 | 43% | 0.43 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L586 Q587 C588 R592 V593 I594 | L586-A590 PolarHBondContact O-N 3.27Å; Q587-A590 PolarHBondContact O-N 3.42Å; C588-A590 PolarHBondContact O-N 2.96Å; A590-R592 PolarHBondContact O-N 3.47Å; A590-V593 PolarHBondContact O-N 3.29Å; A590-I594 WeakPolarHBondContact O-CG1 3.34Å; A590-I594 PolarHBondContact O-N 3.06Å |
| 591 | A | 88.9 | Confident | 86.4 | Confident | 2 Ų | 2 | 85 Ų | 85 | 2% | 0.017 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q587 C588 V593 I594 V595 F612 V613 H616 | Q587-A591 WeakPolarHBondContact O-CB 3.37Å; Q587-A591 PolarHBondContact O-N 3.17Å; C588-A591 PolarHBondContact O-N 2.61Å; A591-V593 PolarHBondContact O-N 3.38Å; A591-I594 WeakPolarHBondContact O-CB 3.19Å; A591-I594 PolarHBondContact O-N 3.12Å; A591-V595 WeakPolarHBondContact O-CG2 3.25Å; A591-V595 PolarHBondContact O-N 3.41Å; A591-F612 HydrophobicContact CB-CD1 4.15Å; A591-F612 HydrophobicContact CB-CE1 3.95Å; A591-V613 HydrophobicContact CB-CB 4.46Å; A591-V613 HydrophobicContact CB-CG2 4.08Å; A591-H616 HydrophobicContact CB-CB 4.3Å |
| 592 | R | 86 | Confident | 87.2 | Confident | 72 Ų | 72 | 83.5 Ų | 83.5 | 27% | 0.272 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 174.7 | -76.3 | 176.2 | 173.4 | 157.1 | 1.2 | 112.4 | D555 C588 L589 A590 I594 V595 N596 | D555-R592 IonicContact OD1-CZ 3.87Å; D555-R592 IonicContact OD1-NH1 3.77Å; D555-R592 IonicContact OD1-NH2 3.12Å; D555-R592 PolarHBondContact OD1-NH2 3.17Å; D555-R592 IonicContact OD2-CZ 2.73Å; D555-R592 IonicContact OD2-NH1 2.66Å; D555-R592 IonicContact OD2-NH2 3.62Å; C588-R592 WeakPolarHBondContact O-CG 3.43Å; C588-R592 PolarHBondContact O-N 3.48Å; L589-R592 PolarHBondContact O-N 3.17Å; A590-R592 PolarHBondContact O-N 3.47Å; R592-I594 VanDerWaalsContact C-N 3.34Å; R592-I594 PolarHBondContact O-N 3.18Å; R592-V595 PolarHBondContact O-N 2.89Å; R592-N596 WeakPolarHBondContact O-CB 3.29Å; R592-N596 PolarHBondContact O-N 2.8Å; R592-N596 PolarHBondContact O-ND2 3.31Å |
| 593 | V | 90 | Very high | 87.9 | Confident | 74 Ų | 74 | 81.7 Ų | 81.7 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 176 | 171 | 0 | 0 | 0 | 0 | 110.4 | L589 A590 A591 V595 H597 I599 | L589-V593 WeakPolarHBondContact O-CG2 3.49Å; L589-V593 PolarHBondContact O-N 2.99Å; L589-V593 VanDerWaalsContact O-N 3.07Å; A590-V593 PolarHBondContact O-N 3.29Å; A591-V593 PolarHBondContact O-N 3.38Å; V593-V595 PolarHBondContact O-N 3.47Å; V593-H597 WeakPolarHBondContact O-CB 3.22Å; V593-H597 PolarHBondContact O-CD2 3.21Å; V593-H597 VanDerWaalsContact O-CD2 3.31Å; V593-H597 PolarHBondContact O-N 3Å; V593-I599 HydrophobicContact CG1-CD1 4.44Å |
| 594 | I | 90.2 | Very high | 88.5 | Confident | 35 Ų | 35 | 85.7 Ų | 85.7 | 18% | 0.179 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 176.8 | -67.8 | 168 | 0 | 0 | 0 | 111 | A590 A591 R592 R598 I599 Y601 V613 | A590-I594 WeakPolarHBondContact O-CG1 3.34Å; A590-I594 PolarHBondContact O-N 3.06Å; A591-I594 WeakPolarHBondContact O-CB 3.19Å; A591-I594 PolarHBondContact O-N 3.12Å; R592-I594 VanDerWaalsContact C-N 3.34Å; R592-I594 PolarHBondContact O-N 3.18Å; I594-R598 WeakPolarHBondContact O-CA 3.44Å; I594-R598 PolarHBondContact O-N 3.05Å; I594-R598 VanDerWaalsContact O-N 3.12Å; I594-I599 HydrophobicContact CG2-CB 4.18Å; I594-I599 PolarHBondContact O-N 3.32Å; I594-Y601 HydrophobicContact CG2-CD1 3.32Å; I594-Y601 HydrophobicContact CG2-CE1 3.91Å; I594-Y601 HydrophobicContact CG2-CG 4.02Å; I594-V613 HydrophobicContact CB-CG1 4.26Å; I594-V613 HydrophobicContact CD1-CG2 4.08Å; I594-V613 HydrophobicContact CG2-CG1 3.8Å |
| 595 | V | 87 | Confident | 88.9 | Confident | 31 Ų | 31 | 86.2 Ų | 86.2 | 19% | 0.188 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66.5 | -50.8 | 180 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | A591 R592 V593 H597 R598 V613 H616 R617 | A591-V595 WeakPolarHBondContact O-CG2 3.25Å; A591-V595 PolarHBondContact O-N 3.41Å; R592-V595 PolarHBondContact O-N 2.89Å; V593-V595 PolarHBondContact O-N 3.47Å; V595-H597 VanDerWaalsContact C-N 3.35Å; V595-H597 PolarHBondContact O-N 3.36Å; V595-R598 PolarHBondContact O-N 3.44Å; V595-V613 HydrophobicContact CG2-CG1 4.03Å; V595-H616 HydrophobicContact CG2-CB 4.39Å; V595-R617 HydrophobicContact CG1-CG 4.45Å; V595-R617 HydrophobicContact CG2-CG 3.89Å |
| 596 | N | 87.8 | Confident | 89.3 | Confident | 123 Ų | 123 | 87.4 Ų | 87.4 | 66% | 0.658 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.5 | -40.6 | -176 | -72.6 | -16.3 | 0 | 0 | 0 | 112.2 | R592 R598 | R592-N596 WeakPolarHBondContact O-CB 3.29Å; R592-N596 PolarHBondContact O-N 2.8Å; R592-N596 PolarHBondContact O-ND2 3.31Å; N596-R598 VanDerWaalsContact C-N 3.3Å |
| 597 | H | 92.1 | Very high | 89.3 | Confident | 139 Ų | 139 | 88 Ų | 88 | 64% | 0.644 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 3.7 | 177.2 | -69.1 | -79.7 | 0 | 0 | 0 | 113.5 | V593 V595 I599 | V593-H597 WeakPolarHBondContact O-CB 3.22Å; V593-H597 PolarHBondContact O-CD2 3.21Å; V593-H597 VanDerWaalsContact O-CD2 3.31Å; V593-H597 PolarHBondContact O-N 3Å; V595-H597 VanDerWaalsContact C-N 3.35Å; V595-H597 PolarHBondContact O-N 3.36Å; H597-I599 HydrophobicContact CB-CD1 3.98Å; H597-I599 HydrophobicContact CB-CG1 3.72Å; H597-I599 PolarHBondContact O-N 3.49Å |
| 598 | R | 88.6 | Confident | 89.3 | Confident | 230 Ų | 230 | 90.9 Ų | 90.9 | 87% | 0.868 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 36.7 | -177.8 | -55.3 | -179.6 | -179.2 | -178.1 | 0.1 | 112.8 | I594 V595 N596 Y600 | I594-R598 WeakPolarHBondContact O-CA 3.44Å; I594-R598 PolarHBondContact O-N 3.05Å; I594-R598 VanDerWaalsContact O-N 3.12Å; V595-R598 PolarHBondContact O-N 3.44Å; N596-R598 VanDerWaalsContact C-N 3.3Å; R598-Y600 PolarHBondContact O-N 2.95Å |
| 599 | I | 91.6 | Very high | 89.4 | Confident | 84 Ų | 84 | 94 Ų | 94 | 43% | 0.431 | 47% | 0.47 | S | S | . | . | trans | -67.7 | 125.9 | -179.4 | -58.5 | 175.5 | 0 | 0 | 0 | 107.9 | V593 I594 H597 Y601 | V593-I599 HydrophobicContact CG1-CD1 4.44Å; I594-I599 HydrophobicContact CG2-CB 4.18Å; I594-I599 PolarHBondContact O-N 3.32Å; H597-I599 HydrophobicContact CB-CD1 3.98Å; H597-I599 HydrophobicContact CB-CG1 3.72Å; H597-I599 PolarHBondContact O-N 3.49Å; I599-Y601 WeakPolarHBondContact O-CD1 3.5Å; I599-Y601 PolarHBondContact O-N 3.07Å | ||
| 600 | Y | 90.9 | Very high | 89.5 | Confident | 165 Ų | 165 | 91.8 Ų | 91.8 | 65% | 0.647 | 46% | 0.457 | S | S | * | . | trans | -72 | 123.8 | 177.1 | -176 | -96 | 0 | 0 | 0 | 110.2 | R598 K602 H604 | R598-Y600 PolarHBondContact O-N 2.95Å; Y600-K602 WeakPolarHBondContact CE1-O 3.37Å; Y600-K602 HydrophobicContact CE2-CB 4.37Å; Y600-K602 PolarHBondContact OH-O 3.45Å; Y600-H604 AromaticContact CD1-CD2 3.53Å; Y600-H604 AromaticContact CD1-NE2 3.55Å; Y600-H604 AromaticContact CE1-CD2 3.56Å; Y600-H604 AromaticContact CE1-NE2 3.48Å; Y600-H604 WeakPolarHBondContact CE1-NE2 3.47Å | ||
| 601 | Y | 90.6 | Very high | 89.2 | Confident | 15 Ų | 15 | 93.1 Ų | 93.1 | 6% | 0.059 | 46% | 0.46 | C | S | . | . | trans | -129.6 | -15.3 | -173.9 | 66.6 | -94.8 | 0 | 0 | 0 | 114.6 | I594 I599 G603 H604 I605 E610 V613 R617 | I594-Y601 HydrophobicContact CG2-CD1 3.32Å; I594-Y601 HydrophobicContact CG2-CE1 3.91Å; I594-Y601 HydrophobicContact CG2-CG 4.02Å; I599-Y601 WeakPolarHBondContact O-CD1 3.5Å; I599-Y601 PolarHBondContact O-N 3.07Å; Y601-G603 PolarHBondContact O-N 3.49Å; Y601-H604 WeakPolarHBondContact O-CB 3.41Å; Y601-H604 PolarHBondContact O-N 3.26Å; Y601-I605 HydrophobicContact CD2-CD1 3.56Å; Y601-I605 HydrophobicContact CD2-CG1 4.08Å; Y601-I605 HydrophobicContact CE2-CD1 4.34Å; Y601-I605 HydrophobicContact CG-CD1 4.16Å; Y601-I605 PolarHBondContact O-N 3.35Å; Y601-E610 HydrophobicContact CD2-CB 4.37Å; Y601-E610 HydrophobicContact CD2-CG 4.05Å; Y601-E610 HydrophobicContact CE2-CB 3.93Å; Y601-E610 HydrophobicContact CE2-CG 4.1Å; Y601-V613 HydrophobicContact CD1-CG1 4Å; Y601-V613 HydrophobicContact CD2-CB 4.49Å; Y601-V613 HydrophobicContact CE1-CB 4.26Å; Y601-V613 HydrophobicContact CE1-CG1 3.42Å; Y601-V613 VanDerWaalsContact CE1-CG1 3.42Å; Y601-V613 HydrophobicContact CE2-CB 3.94Å; Y601-V613 HydrophobicContact CE2-CG1 4.02Å; Y601-V613 HydrophobicContact CG-CG1 4.48Å; Y601-R617 VanDerWaalsContact OH-CZ 3.27Å; Y601-R617 PolarHBondContact OH-NE 2.79Å; Y601-R617 PolarHBondContact OH-NH2 3.09Å | ||
| 602 | K | 90 | Very high | 89.1 | Confident | 105 Ų | 105 | 94.3 Ų | 94.3 | 46% | 0.457 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 127.2 | -177.1 | -68.6 | -172.5 | 173.1 | -170.7 | 0 | 110.7 | Y600 H604 E610 | Y600-K602 WeakPolarHBondContact CE1-O 3.37Å; Y600-K602 HydrophobicContact CE2-CB 4.37Å; Y600-K602 PolarHBondContact OH-O 3.45Å; K602-H604 VanDerWaalsContact C-N 3.25Å; K602-H604 PolarHBondContact O-N 3.37Å; K602-E610 WeakPolarHBondContact CA-OE1 3.4Å |
| 603 | G | 91.9 | Very high | 89.1 | Confident | 72 Ų | 72 | 91.1 Ų | 91.1 | 74% | 0.742 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -3.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y601 E610 | Y601-G603 PolarHBondContact O-N 3.49Å; G603-E610 PolarHBondContact N-OE1 2.95Å |
| 604 | H | 91.8 | Very high | 88.8 | Confident | 142 Ų | 142 | 90 Ų | 90 | 66% | 0.657 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -16 | -179.7 | -65 | -70.5 | 0 | 0 | 0 | 113.7 | Y600 Y601 K602 | Y600-H604 AromaticContact CD1-CD2 3.53Å; Y600-H604 AromaticContact CD1-NE2 3.55Å; Y600-H604 AromaticContact CE1-CD2 3.56Å; Y600-H604 AromaticContact CE1-NE2 3.48Å; Y600-H604 WeakPolarHBondContact CE1-NE2 3.47Å; Y601-H604 WeakPolarHBondContact O-CB 3.41Å; Y601-H604 PolarHBondContact O-N 3.26Å; K602-H604 VanDerWaalsContact C-N 3.25Å; K602-H604 PolarHBondContact O-N 3.37Å |
| 605 | I | 90.5 | Very high | 88.5 | Confident | 47 Ų | 47 | 90.2 Ų | 90.2 | 24% | 0.241 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -125.3 | 157.7 | 176.1 | 66.3 | -179.9 | 0 | 0 | 0 | 109.3 | Y601 L609 E610 V613 | Y601-I605 HydrophobicContact CD2-CD1 3.56Å; Y601-I605 HydrophobicContact CD2-CG1 4.08Å; Y601-I605 HydrophobicContact CE2-CD1 4.34Å; Y601-I605 HydrophobicContact CG-CD1 4.16Å; Y601-I605 PolarHBondContact O-N 3.35Å; I605-L609 HydrophobicContact CB-CB 4.36Å; I605-L609 HydrophobicContact CD1-CB 3.77Å; I605-L609 HydrophobicContact CG1-CB 4.13Å; I605-E610 HydrophobicContact CD1-CG 4.09Å; I605-E610 HydrophobicContact CG1-CG 3.56Å; I605-V613 HydrophobicContact CD1-CG2 4.08Å |
| 606 | P | 91.1 | Very high | 88.3 | Confident | 90 Ų | 90 | 89.3 Ų | 89.3 | 58% | 0.584 | 44% | 0.444 | S | S | * | . | trans | -51.5 | 142.1 | 173 | -28 | 33.5 | 0 | 0 | 0 | 112.6 | K608 L609 E610 | P606-K608 PolarHBondContact O-N 3.38Å; P606-K608 VanDerWaalsContact O-N 3.09Å; P606-L609 HydrophobicContact CG-CD1 4.43Å; P606-L609 WeakPolarHBondContact O-CA 3.42Å; P606-L609 WeakPolarHBondContact O-CB 3.29Å; P606-L609 PolarHBondContact O-N 2.84Å; P606-E610 PolarHBondContact O-N 3.31Å; P606-E610 VanDerWaalsContact O-N 3.09Å | ||
| 607 | E | 88 | Confident | 87.9 | Confident | 157 Ų | 157 | 89.2 Ų | 89.2 | 73% | 0.734 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -51.9 | -37.6 | -178.4 | -172.1 | -178.1 | -178.4 | 0 | 0 | 113.2 | L609 E610 T611 | E607-L609 VanDerWaalsContact C-N 3.28Å; E607-L609 PolarHBondContact O-N 2.89Å; E607-E610 WeakPolarHBondContact O-CB 3.42Å; E607-E610 PolarHBondContact O-N 2.93Å; E607-E610 VanDerWaalsContact O-N 3.1Å; E607-T611 PolarHBondContact O-N 3.44Å; E607-T611 PolarHBondContact O-OG1 3.1Å |
| 608 | K | 85.9 | Confident | 87.6 | Confident | 180 Ų | 180 | 86.8 Ų | 86.8 | 78% | 0.783 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61.6 | -32 | 174.5 | -67.8 | -173.7 | 179.6 | -178 | 0 | 113.8 | P606 T611 F612 | P606-K608 PolarHBondContact O-N 3.38Å; P606-K608 VanDerWaalsContact O-N 3.09Å; K608-T611 PolarHBondContact O-OG1 3.09Å; K608-F612 PolarHBondContact O-N 3.34Å |
| 609 | L | 87.9 | Confident | 87.6 | Confident | 72 Ų | 72 | 79.2 Ų | 79.2 | 38% | 0.377 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -81.5 | -29.9 | 174.5 | -65 | -175.4 | 0 | 0 | 0 | 111 | I605 P606 E607 F612 V613 | I605-L609 HydrophobicContact CB-CB 4.36Å; I605-L609 HydrophobicContact CD1-CB 3.77Å; I605-L609 HydrophobicContact CG1-CB 4.13Å; P606-L609 HydrophobicContact CG-CD1 4.43Å; P606-L609 WeakPolarHBondContact O-CA 3.42Å; P606-L609 WeakPolarHBondContact O-CB 3.29Å; P606-L609 PolarHBondContact O-N 2.84Å; E607-L609 VanDerWaalsContact C-N 3.28Å; E607-L609 PolarHBondContact O-N 2.89Å; L609-F612 PolarHBondContact O-N 3.29Å; L609-V613 VanDerWaalsContact O-CG2 3.29Å; L609-V613 WeakPolarHBondContact O-CG2 3.49Å; L609-V613 PolarHBondContact O-N 3.49Å |
| 610 | E | 89 | Confident | 87.4 | Confident | 41 Ų | 41 | 78.9 Ų | 78.9 | 19% | 0.192 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 173.5 | -61.6 | -166.8 | -172.5 | 0 | 0 | 112.2 | Y601 K602 G603 I605 P606 E607 F612 V613 S614 | Y601-E610 HydrophobicContact CD2-CB 4.37Å; Y601-E610 HydrophobicContact CD2-CG 4.05Å; Y601-E610 HydrophobicContact CE2-CB 3.93Å; Y601-E610 HydrophobicContact CE2-CG 4.1Å; K602-E610 WeakPolarHBondContact CA-OE1 3.4Å; G603-E610 PolarHBondContact N-OE1 2.95Å; I605-E610 HydrophobicContact CD1-CG 4.09Å; I605-E610 HydrophobicContact CG1-CG 3.56Å; P606-E610 PolarHBondContact O-N 3.31Å; P606-E610 VanDerWaalsContact O-N 3.09Å; E607-E610 WeakPolarHBondContact O-CB 3.42Å; E607-E610 PolarHBondContact O-N 2.93Å; E607-E610 VanDerWaalsContact O-N 3.1Å; E610-F612 VanDerWaalsContact C-N 3.34Å; E610-V613 PolarHBondContact O-N 3.3Å; E610-S614 PolarHBondContact O-N 2.97Å; E610-S614 PolarHBondContact O-OG 3.37Å |
| 611 | T | 84.3 | Confident | 87.2 | Confident | 79 Ų | 79 | 73.9 Ų | 73.9 | 49% | 0.485 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 174.6 | 55 | 0 | 0 | 0 | 0 | 110.4 | E607 K608 V613 S614 L615 | E607-T611 PolarHBondContact O-N 3.44Å; E607-T611 PolarHBondContact O-OG1 3.1Å; K608-T611 PolarHBondContact O-OG1 3.09Å; T611-V613 PolarHBondContact O-N 3.05Å; T611-S614 WeakPolarHBondContact CA-OG 3.46Å; T611-S614 PolarHBondContact O-N 3.07Å; T611-S614 PolarHBondContact O-OG 3.27Å; T611-L615 WeakPolarHBondContact O-CG 3.18Å; T611-L615 PolarHBondContact O-N 2.97Å |
| 612 | F | 86.1 | Confident | 86.9 | Confident | 27 Ų | 27 | 77.6 Ų | 77.6 | 12% | 0.118 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 174.9 | -175.2 | -89.6 | 0 | 0 | 0 | 113.5 | Q587 A591 K608 L609 E610 S614 L615 H616 | Q587-F612 HydrophobicContact CB-CE1 3.71Å; Q587-F612 HydrophobicContact CB-CZ 3.76Å; Q587-F612 WeakPolarHBondContact O-CE1 3.4Å; A591-F612 HydrophobicContact CB-CD1 4.15Å; A591-F612 HydrophobicContact CB-CE1 3.95Å; K608-F612 PolarHBondContact O-N 3.34Å; L609-F612 PolarHBondContact O-N 3.29Å; E610-F612 VanDerWaalsContact C-N 3.34Å; F612-S614 VanDerWaalsContact C-N 3.27Å; F612-S614 PolarHBondContact O-N 3.5Å; F612-L615 HydrophobicContact CD2-CD1 4.29Å; F612-L615 WeakPolarHBondContact O-CB 3.43Å; F612-L615 PolarHBondContact O-N 3.46Å; F612-L615 VanDerWaalsContact O-N 3.17Å; F612-H616 AromaticContact CE1-CE1 3.51Å; F612-H616 AromaticContact CZ-CE1 3.61Å; F612-H616 PolarHBondContact O-ND1 3.39Å |
| 613 | V | 85.5 | Confident | 86.7 | Confident | 5 Ų | 5 | 75.7 Ų | 75.7 | 3% | 0.03 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.5 | -35.2 | 176.3 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | A591 I594 V595 Y601 I605 L609 E610 T611 L615 H616 | A591-V613 HydrophobicContact CB-CB 4.46Å; A591-V613 HydrophobicContact CB-CG2 4.08Å; I594-V613 HydrophobicContact CB-CG1 4.26Å; I594-V613 HydrophobicContact CD1-CG2 4.08Å; I594-V613 HydrophobicContact CG2-CG1 3.8Å; V595-V613 HydrophobicContact CG2-CG1 4.03Å; Y601-V613 HydrophobicContact CD1-CG1 4Å; Y601-V613 HydrophobicContact CD2-CB 4.49Å; Y601-V613 HydrophobicContact CE1-CB 4.26Å; Y601-V613 HydrophobicContact CE1-CG1 3.42Å; Y601-V613 VanDerWaalsContact CE1-CG1 3.42Å; Y601-V613 HydrophobicContact CE2-CB 3.94Å; Y601-V613 HydrophobicContact CE2-CG1 4.02Å; Y601-V613 HydrophobicContact CG-CG1 4.48Å; I605-V613 HydrophobicContact CD1-CG2 4.08Å; L609-V613 VanDerWaalsContact O-CG2 3.29Å; L609-V613 WeakPolarHBondContact O-CG2 3.49Å; L609-V613 PolarHBondContact O-N 3.49Å; E610-V613 PolarHBondContact O-N 3.3Å; T611-V613 PolarHBondContact O-N 3.05Å; V613-L615 PolarHBondContact O-N 3.23Å; V613-H616 PolarHBondContact O-N 3.23Å |
| 614 | S | 84.1 | Confident | 86.4 | Confident | 52 Ų | 52 | 76 Ų | 76 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.6 | -23.4 | 175.7 | 63.7 | 0 | 0 | 0 | 0 | 114.4 | E610 T611 F612 H616 R617 | E610-S614 PolarHBondContact O-N 2.97Å; E610-S614 PolarHBondContact O-OG 3.37Å; T611-S614 WeakPolarHBondContact CA-OG 3.46Å; T611-S614 PolarHBondContact O-N 3.07Å; T611-S614 PolarHBondContact O-OG 3.27Å; F612-S614 VanDerWaalsContact C-N 3.27Å; F612-S614 PolarHBondContact O-N 3.5Å; S614-H616 PolarHBondContact O-N 2.71Å; S614-R617 PolarHBondContact O-N 3.41Å |
| 615 | L | 83.6 | Confident | 86 | Confident | 38 Ų | 38 | 70.9 Ų | 70.9 | 20% | 0.199 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14 | 175.5 | -59.4 | 171.7 | 0 | 0 | 0 | 113.6 | A556 T557 T611 F612 V613 | A556-L615 CarbonylContact C-O 3.51Å; A556-L615 VanDerWaalsContact CA-O 3.25Å; A556-L615 WeakPolarHBondContact CA-O 3.48Å; A556-L615 HydrophobicContact CB-CB 4.48Å; T557-L615 PolarHBondContact N-O 3.27Å; T557-L615 PolarHBondContact OG1-O 3.36Å; T611-L615 WeakPolarHBondContact O-CG 3.18Å; T611-L615 PolarHBondContact O-N 2.97Å; F612-L615 HydrophobicContact CD2-CD1 4.29Å; F612-L615 WeakPolarHBondContact O-CB 3.43Å; F612-L615 PolarHBondContact O-N 3.46Å; F612-L615 VanDerWaalsContact O-N 3.17Å; V613-L615 PolarHBondContact O-N 3.23Å |
| 616 | H | 83.9 | Confident | 85.6 | Confident | 12 Ų | 12 | 72.9 Ų | 72.9 | 6% | 0.056 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 16.6 | -173.8 | -61 | 79.3 | 0 | 0 | 0 | 112.9 | D555 T557 C588 A591 V595 F612 V613 S614 | D555-H616 PolarHBondContact O-CD2 2.93Å; T557-H616 VanDerWaalsContact OG1-C 3.26Å; C588-H616 WeakPolarHBondContact CA-NE2 3.39Å; C588-H616 WeakPolarHBondContact CB-NE2 3.47Å; A591-H616 HydrophobicContact CB-CB 4.3Å; V595-H616 HydrophobicContact CG2-CB 4.39Å; F612-H616 AromaticContact CE1-CE1 3.51Å; F612-H616 AromaticContact CZ-CE1 3.61Å; F612-H616 PolarHBondContact O-ND1 3.39Å; V613-H616 PolarHBondContact O-N 3.23Å; S614-H616 PolarHBondContact O-N 2.71Å |
| 617 | R | 77.5 | Confident | 85.1 | Confident | 122 Ų | 122 | 71.4 Ų | 71.4 | 46% | 0.46 | 35% | 0.345 | S | S | . | . | trans | -85.3 | 0 | -171.1 | -80 | -177.9 | 175.3 | -140.2 | -4.5 | 115 | T557 K561 V595 Y601 S614 | T557-R617 WeakPolarHBondContact CB-O 3.44Å; T557-R617 PolarHBondContact OG1-N 3.48Å; T557-R617 VanDerWaalsContact OG1-N 3.17Å; T557-R617 PolarHBondContact OG1-O 3Å; K561-R617 WeakPolarHBondContact CE-OXT 3.25Å; V595-R617 HydrophobicContact CG1-CG 4.45Å; V595-R617 HydrophobicContact CG2-CG 3.89Å; Y601-R617 VanDerWaalsContact OH-CZ 3.27Å; Y601-R617 PolarHBondContact OH-NE 2.79Å; Y601-R617 PolarHBondContact OH-NH2 3.09Å; S614-R617 PolarHBondContact O-N 3.41Å |
Retrieved 617 of 617 residues in 123.9 ms
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