| 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 | 59.6 | Low | 84.6 | Confident | 142 Ų | 142 | 72.5 Ų | 72.5 | 70% | 0.7 | 35% | 0.35 | S | S | * | . | 0 | -56.5 | 0 | -78.9 | -170 | -75.1 | 0 | 0 | 111.3 | V3 E4 S5 | M1-V3 PolarHBondContact O-N 2.74Å; M1-E4 WeakPolarHBondContact O-CB 3.18Å; M1-E4 PolarHBondContact O-N 3.1Å; M1-S5 PolarHBondContact O-N 3.25Å | |||
| 2 | E | 67.9 | Low | 85.3 | Confident | 100 Ų | 100 | 66.5 Ų | 66.5 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -55.7 | -45.9 | 179.5 | -173 | 171.6 | -170.7 | 0 | 0 | 114.2 | E4 S5 I6 Q39 | E2-E4 PolarHBondContact O-N 3.4Å; E2-S5 PolarHBondContact O-N 3.35Å; E2-I6 HydrophobicContact CG-CD1 4.05Å; E2-I6 WeakPolarHBondContact O-CG1 3.34Å; E2-I6 PolarHBondContact O-N 2.75Å; E2-Q39 VanDerWaalsContact CG-NE2 3.3Å; E2-Q39 PolarHBondContact OE1-NE2 3.23Å; E2-Q39 PolarHBondContact OE2-NE2 2.67Å |
| 3 | V | 80.9 | Confident | 86 | Confident | 124 Ų | 124 | 65.1 Ų | 65.1 | 75% | 0.752 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -58.1 | -36 | 176.2 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | M1 R7 | M1-V3 PolarHBondContact O-N 2.74Å; V3-R7 PolarHBondContact O-N 2.85Å |
| 4 | E | 85.6 | Confident | 86.6 | Confident | 55 Ų | 55 | 68.4 Ų | 68.4 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -73.5 | -43.7 | 179 | -171.1 | 64.7 | -168.5 | 0 | 0 | 111.5 | M1 E2 I6 R7 L8 | M1-E4 WeakPolarHBondContact O-CB 3.18Å; M1-E4 PolarHBondContact O-N 3.1Å; E2-E4 PolarHBondContact O-N 3.4Å; E4-I6 VanDerWaalsContact C-N 3.3Å; E4-I6 PolarHBondContact O-N 3.02Å; E4-R7 VanDerWaalsContact CD-NH1 3.31Å; E4-R7 PolarHBondContact O-N 3.01Å; E4-R7 IonicContact OE1-CZ 3.41Å; E4-R7 IonicContact OE1-NH1 2.74Å; E4-R7 PolarHBondContact OE1-NH1 3.19Å; E4-R7 VanDerWaalsContact OE1-NH1 3.1Å; E4-R7 IonicContact OE1-NH2 3.79Å; E4-R7 PolarHBondContact OE1-NH2 2.94Å; E4-R7 IonicContact OE2-CZ 3.8Å; E4-R7 IonicContact OE2-NH1 2.67Å; E4-R7 PolarHBondContact OE2-NH1 3.44Å; E4-R7 IonicContact OE2-NH2 3.1Å; E4-L8 HydrophobicContact CG-CD1 4.1Å; E4-L8 WeakPolarHBondContact O-CB 3.35Å; E4-L8 WeakPolarHBondContact O-CG 3.49Å; E4-L8 PolarHBondContact O-N 3.28Å |
| 5 | S | 85.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.3 | -43.4 | 174.1 | 173 | 0 | 0 | 0 | 0 | 111.7 | M1 E2 L8 K9 A31 | M1-S5 PolarHBondContact O-N 3.25Å; E2-S5 PolarHBondContact O-N 3.35Å; S5-L8 PolarHBondContact O-N 3.02Å; S5-K9 VanDerWaalsContact O-CB 3.31Å; S5-K9 WeakPolarHBondContact O-CB 3.19Å; S5-K9 PolarHBondContact O-N 2.96Å; S5-A31 PolarHBondContact OG-O 3.18Å; S5-A31 VanDerWaalsContact OG-O 3.12Å |
| 6 | I | 87.6 | Confident | 87.6 | Confident | 69 Ų | 69 | 65.6 Ų | 65.6 | 35% | 0.354 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 176.7 | -64.9 | 168.8 | 0 | 0 | 0 | 110.9 | E2 E4 K9 E10 | E2-I6 HydrophobicContact CG-CD1 4.05Å; E2-I6 WeakPolarHBondContact O-CG1 3.34Å; E2-I6 PolarHBondContact O-N 2.75Å; E4-I6 VanDerWaalsContact C-N 3.3Å; E4-I6 PolarHBondContact O-N 3.02Å; I6-K9 WeakPolarHBondContact O-CB 3.38Å; I6-K9 PolarHBondContact O-N 2.85Å; I6-E10 WeakPolarHBondContact O-CG 3.44Å; I6-E10 PolarHBondContact O-N 2.91Å |
| 7 | R | 91.9 | Very high | 87.8 | Confident | 119 Ų | 119 | 67.4 Ų | 67.4 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.3 | -48.3 | 176.4 | -164.2 | -170.7 | 86.4 | -137.3 | -8.9 | 111.5 | V3 E4 K9 E10 E11 | V3-R7 PolarHBondContact O-N 2.85Å; E4-R7 VanDerWaalsContact CD-NH1 3.31Å; E4-R7 PolarHBondContact O-N 3.01Å; E4-R7 IonicContact OE1-CZ 3.41Å; E4-R7 IonicContact OE1-NH1 2.74Å; E4-R7 PolarHBondContact OE1-NH1 3.19Å; E4-R7 VanDerWaalsContact OE1-NH1 3.1Å; E4-R7 IonicContact OE1-NH2 3.79Å; E4-R7 PolarHBondContact OE1-NH2 2.94Å; E4-R7 IonicContact OE2-CZ 3.8Å; E4-R7 IonicContact OE2-NH1 2.67Å; E4-R7 PolarHBondContact OE2-NH1 3.44Å; E4-R7 IonicContact OE2-NH2 3.1Å; R7-K9 VanDerWaalsContact C-N 3.35Å; R7-K9 PolarHBondContact O-N 3.48Å; R7-E10 PolarHBondContact O-N 3.17Å; R7-E10 VanDerWaalsContact O-N 3.17Å; R7-E11 IonicContact NE-OE2 2.74Å; R7-E11 PolarHBondContact O-N 2.93Å |
| 8 | L | 92.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.3 | -38 | 179.4 | -70.7 | 167.9 | 0 | 0 | 0 | 112.2 | E4 S5 E11 G12 Y27 R30 A31 H34 | E4-L8 HydrophobicContact CG-CD1 4.1Å; E4-L8 WeakPolarHBondContact O-CB 3.35Å; E4-L8 WeakPolarHBondContact O-CG 3.49Å; E4-L8 PolarHBondContact O-N 3.28Å; S5-L8 PolarHBondContact O-N 3.02Å; L8-E11 PolarHBondContact O-N 3.2Å; L8-G12 PolarHBondContact O-N 3.34Å; L8-Y27 HydrophobicContact CD2-CD1 3.72Å; L8-Y27 HydrophobicContact CD2-CE1 4.01Å; L8-R30 HydrophobicContact CD1-CB 4.09Å; L8-A31 HydrophobicContact CB-CB 3.77Å; L8-H34 WeakPolarHBondContact CD1-CD2 3.26Å |
| 9 | K | 92.2 | Very high | 88.1 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 17% | 0.174 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 172.7 | -178.9 | -150.5 | 67.9 | 170.3 | 0 | 111.2 | S5 I6 R7 G12 N13 A31 L46 | S5-K9 VanDerWaalsContact O-CB 3.31Å; S5-K9 WeakPolarHBondContact O-CB 3.19Å; S5-K9 PolarHBondContact O-N 2.96Å; I6-K9 WeakPolarHBondContact O-CB 3.38Å; I6-K9 PolarHBondContact O-N 2.85Å; R7-K9 VanDerWaalsContact C-N 3.35Å; R7-K9 PolarHBondContact O-N 3.48Å; K9-G12 PolarHBondContact O-N 2.87Å; K9-N13 PolarHBondContact O-N 3.12Å; K9-N13 PolarHBondContact O-ND2 3.23Å; K9-N13 PolarHBondContact O-OD1 3.2Å; K9-A31 HydrophobicContact CB-CB 4.46Å; K9-L46 HydrophobicContact CB-CD2 3.97Å; K9-L46 HydrophobicContact CG-CD2 3.85Å |
| 10 | E | 93.5 | Very high | 88.4 | Confident | 97 Ų | 97 | 67.6 Ų | 67.6 | 45% | 0.453 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.9 | -36.1 | 177 | -64.1 | -52 | 152.3 | 0 | 0 | 112.6 | I6 R7 N13 R14 | I6-E10 WeakPolarHBondContact O-CG 3.44Å; I6-E10 PolarHBondContact O-N 2.91Å; R7-E10 PolarHBondContact O-N 3.17Å; R7-E10 VanDerWaalsContact O-N 3.17Å; E10-N13 WeakPolarHBondContact O-CB 3.18Å; E10-N13 PolarHBondContact O-N 3.04Å; E10-N13 PolarHBondContact OE2-ND2 3.35Å; E10-R14 PolarHBondContact O-N 3.46Å |
| 11 | E | 93.2 | Very high | 88.6 | Confident | 52 Ų | 52 | 66.1 Ų | 66.1 | 24% | 0.243 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 171.1 | -71.8 | 178.3 | 134.7 | 0 | 0 | 111.7 | R7 L8 N13 R14 Y15 Y27 | R7-E11 IonicContact NE-OE2 2.74Å; R7-E11 PolarHBondContact O-N 2.93Å; L8-E11 PolarHBondContact O-N 3.2Å; E11-N13 VanDerWaalsContact C-N 3.32Å; E11-N13 PolarHBondContact O-N 3.05Å; E11-R14 WeakPolarHBondContact O-CB 3.49Å; E11-R14 PolarHBondContact O-N 3.3Å; E11-Y15 WeakPolarHBondContact O-CD2 3.34Å; E11-Y15 PolarHBondContact O-N 3.37Å; E11-Y27 HydrophobicContact CB-CD1 3.48Å; E11-Y27 VanDerWaalsContact CB-CD1 3.48Å; E11-Y27 HydrophobicContact CB-CE1 3.65Å; E11-Y27 HydrophobicContact CB-CG 4.25Å; E11-Y27 HydrophobicContact CG-CD1 4.44Å; E11-Y27 HydrophobicContact CG-CE1 4.22Å; E11-Y27 WeakPolarHBondContact OE2-CE1 3.45Å |
| 12 | G | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.8 | -37.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | L8 K9 Y16 S24 Y28 | L8-G12 PolarHBondContact O-N 3.34Å; K9-G12 PolarHBondContact O-N 2.87Å; G12-Y16 WeakPolarHBondContact O-CB 3.24Å; G12-Y16 PolarHBondContact O-N 3.33Å; G12-S24 PolarHBondContact O-OG 3.4Å; G12-S24 VanDerWaalsContact O-OG 3.11Å; G12-Y28 PolarHBondContact O-OH 2.99Å |
| 13 | N | 94.1 | Very high | 91.2 | Very high | 48 Ų | 48 | 65.3 Ų | 65.3 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 173.2 | -67.9 | -19.9 | 0 | 0 | 0 | 111.8 | K9 E10 E11 Y16 S17 Y28 N49 | K9-N13 PolarHBondContact O-N 3.12Å; K9-N13 PolarHBondContact O-ND2 3.23Å; K9-N13 PolarHBondContact O-OD1 3.2Å; E10-N13 WeakPolarHBondContact O-CB 3.18Å; E10-N13 PolarHBondContact O-N 3.04Å; E10-N13 PolarHBondContact OE2-ND2 3.35Å; E11-N13 VanDerWaalsContact C-N 3.32Å; E11-N13 PolarHBondContact O-N 3.05Å; N13-Y16 PolarHBondContact O-N 3.45Å; N13-S17 PolarHBondContact O-N 3.48Å; N13-S17 PolarHBondContact O-OG 2.95Å; N13-Y28 WeakPolarHBondContact CA-OH 3.49Å; N13-Y28 PolarHBondContact N-OH 2.99Å; N13-Y28 WeakPolarHBondContact OD1-CE1 3.49Å; N13-Y28 PolarHBondContact OD1-OH 3.15Å; N13-N49 PolarHBondContact OD1-ND2 3.34Å |
| 14 | R | 94.8 | Very high | 91.8 | Very high | 111 Ų | 111 | 59.4 Ų | 59.4 | 42% | 0.419 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.7 | -51.3 | 176.2 | -173.5 | 178 | 65.7 | 91.9 | -2.7 | 110.7 | E10 E11 Y16 S17 E18 | E10-R14 PolarHBondContact O-N 3.46Å; E11-R14 WeakPolarHBondContact O-CB 3.49Å; E11-R14 PolarHBondContact O-N 3.3Å; R14-Y16 VanDerWaalsContact C-N 3.33Å; R14-Y16 PolarHBondContact O-N 3.22Å; R14-S17 PolarHBondContact O-N 3.41Å; R14-S17 VanDerWaalsContact O-N 3.08Å; R14-S17 PolarHBondContact O-OG 2.67Å; R14-E18 WeakPolarHBondContact CG-OE1 3.48Å; R14-E18 IonicContact CZ-OE1 3.99Å; R14-E18 IonicContact NH1-OE1 3.42Å; R14-E18 PolarHBondContact NH1-OE1 3.38Å; R14-E18 IonicContact NH1-OE2 3.73Å; R14-E18 WeakPolarHBondContact O-CG 3.39Å; R14-E18 PolarHBondContact O-N 3.43Å |
| 15 | Y | 94.5 | Very high | 92 | Very high | 29 Ų | 29 | 58.2 Ų | 58.2 | 11% | 0.114 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.7 | -37.2 | 176.7 | -72.1 | -60.2 | 0 | 0 | 0 | 113.1 | E11 S17 E18 G19 D20 K23 Y27 | E11-Y15 WeakPolarHBondContact O-CD2 3.34Å; E11-Y15 PolarHBondContact O-N 3.37Å; Y15-S17 VanDerWaalsContact C-N 3.26Å; Y15-S17 PolarHBondContact O-N 3.25Å; Y15-E18 PolarHBondContact O-N 3.08Å; Y15-G19 PolarHBondContact O-N 3.12Å; Y15-D20 HydrophobicContact CD1-CB 4.14Å; Y15-D20 PolarHBondContact O-N 3.04Å; Y15-K23 HydrophobicContact CD1-CB 3.97Å; Y15-K23 HydrophobicContact CD1-CD 3.8Å; Y15-K23 HydrophobicContact CD2-CB 3.85Å; Y15-K23 HydrophobicContact CD2-CD 4.43Å; Y15-K23 HydrophobicContact CE1-CB 4.37Å; Y15-K23 HydrophobicContact CE1-CD 3.44Å; Y15-K23 VanDerWaalsContact CE1-CD 3.44Å; Y15-K23 HydrophobicContact CE2-CB 4.26Å; Y15-K23 HydrophobicContact CE2-CD 4.13Å; Y15-K23 HydrophobicContact CG-CB 3.69Å; Y15-K23 HydrophobicContact CG-CD 4.28Å; Y15-Y27 AromaticContact CD2-CD2 3.8Å; Y15-Y27 HydrophobicContact CD2-CD2 3.8Å; Y15-Y27 AromaticContact CD2-CE2 3.85Å; Y15-Y27 HydrophobicContact CD2-CE2 3.85Å; Y15-Y27 HydrophobicContact CD2-CG 4.35Å; Y15-Y27 AromaticContact CE2-CD2 3.78Å; Y15-Y27 HydrophobicContact CE2-CD2 3.78Å; Y15-Y27 HydrophobicContact CE2-CE1 4.39Å; Y15-Y27 AromaticContact CE2-CE2 3.31Å; Y15-Y27 HydrophobicContact CE2-CE2 3.31Å; Y15-Y27 HydrophobicContact CE2-CG 4.46Å; Y15-Y27 AromaticContact CE2-CZ 3.65Å |
| 16 | Y | 94 | Very high | 92.3 | Very high | 63 Ų | 63 | 62.7 Ų | 62.7 | 25% | 0.247 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.1 | -37.1 | 173.9 | -173.5 | -99.5 | 0 | 0 | 0 | 112.6 | G12 N13 R14 L21 S24 A52 V53 K56 | G12-Y16 WeakPolarHBondContact O-CB 3.24Å; G12-Y16 PolarHBondContact O-N 3.33Å; N13-Y16 PolarHBondContact O-N 3.45Å; R14-Y16 VanDerWaalsContact C-N 3.33Å; R14-Y16 PolarHBondContact O-N 3.22Å; Y16-L21 HydrophobicContact CD2-CD2 4.22Å; Y16-L21 HydrophobicContact CE2-CD2 4.32Å; Y16-S24 WeakPolarHBondContact CB-OG 3.36Å; Y16-A52 HydrophobicContact CE2-CB 4.29Å; Y16-V53 HydrophobicContact CD2-CG2 3.81Å; Y16-V53 HydrophobicContact CE2-CG2 4.05Å; Y16-K56 HydrophobicContact CE2-CD 3.81Å; Y16-K56 VanDerWaalsContact OH-CE 3.27Å; Y16-K56 WeakPolarHBondContact OH-CE 3.41Å |
| 17 | S | 91.7 | Very high | 92.6 | Very high | 96 Ų | 96 | 61.1 Ų | 61.1 | 67% | 0.671 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -76.4 | -32.6 | 177.2 | 69.3 | 0 | 0 | 0 | 0 | 113.3 | N13 R14 Y15 G19 | N13-S17 PolarHBondContact O-N 3.48Å; N13-S17 PolarHBondContact O-OG 2.95Å; R14-S17 PolarHBondContact O-N 3.41Å; R14-S17 VanDerWaalsContact O-N 3.08Å; R14-S17 PolarHBondContact O-OG 2.67Å; Y15-S17 VanDerWaalsContact C-N 3.26Å; Y15-S17 PolarHBondContact O-N 3.25Å; S17-G19 PolarHBondContact O-N 3Å |
| 18 | E | 92.6 | Very high | 92.6 | Very high | 111 Ų | 111 | 55.6 Ų | 55.6 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -73.8 | -15.2 | 173.3 | -69.5 | 171.3 | -172 | 0 | 0 | 112.7 | R14 Y15 | R14-E18 WeakPolarHBondContact CG-OE1 3.48Å; R14-E18 IonicContact CZ-OE1 3.99Å; R14-E18 IonicContact NH1-OE1 3.42Å; R14-E18 PolarHBondContact NH1-OE1 3.38Å; R14-E18 IonicContact NH1-OE2 3.73Å; R14-E18 WeakPolarHBondContact O-CG 3.39Å; R14-E18 PolarHBondContact O-N 3.43Å; Y15-E18 PolarHBondContact O-N 3.08Å |
| 19 | G | 89.7 | Confident | 92.4 | Very high | 46 Ų | 46 | 58.7 Ų | 58.7 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y15 S17 L21 | Y15-G19 PolarHBondContact O-N 3.12Å; S17-G19 PolarHBondContact O-N 3Å; G19-L21 PolarHBondContact O-N 2.93Å |
| 20 | D | 94 | Very high | 92.2 | Very high | 49 Ų | 49 | 60.8 Ų | 60.8 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | trans | -79.9 | 84.3 | 176 | -168.6 | -23.8 | 0 | 0 | 0 | 109.9 | Y15 E22 K23 S24 | Y15-D20 HydrophobicContact CD1-CB 4.14Å; Y15-D20 PolarHBondContact O-N 3.04Å; D20-E22 VanDerWaalsContact C-N 3.32Å; D20-E22 PolarHBondContact O-N 3.47Å; D20-K23 HydrophobicContact CB-CB 4.49Å; D20-K23 PolarHBondContact OD1-N 3.36Å; D20-K23 VanDerWaalsContact OD1-N 3.12Å; D20-K23 WeakPolarHBondContact OD2-CD 3.45Å; D20-K23 VanDerWaalsContact OD2-CE 3.26Å; D20-K23 WeakPolarHBondContact OD2-CE 3.48Å; D20-K23 WeakPolarHBondContact OD2-CG 3.12Å; D20-K23 IonicContact OD2-NZ 3.1Å; D20-K23 PolarHBondContact OD2-NZ 3.01Å; D20-S24 WeakPolarHBondContact O-CB 3.25Å; D20-S24 PolarHBondContact O-N 3.06Å | ||
| 21 | L | 92.6 | Very high | 91.9 | Very high | 37 Ų | 37 | 56.2 Ų | 56.2 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.9 | -29.2 | -174.7 | -58.9 | -178.3 | 0 | 0 | 0 | 113.1 | Y16 G19 L25 V53 K56 R57 | Y16-L21 HydrophobicContact CD2-CD2 4.22Å; Y16-L21 HydrophobicContact CE2-CD2 4.32Å; G19-L21 PolarHBondContact O-N 2.93Å; L21-L25 WeakPolarHBondContact O-CB 3.42Å; L21-L25 PolarHBondContact O-N 3.06Å; L21-V53 HydrophobicContact CB-CG1 4.21Å; L21-K56 HydrophobicContact CD1-CB 3.71Å; L21-K56 HydrophobicContact CD2-CB 4.15Å; L21-K56 HydrophobicContact CD2-CD 3.76Å; L21-R57 HydrophobicContact CB-CG 4.23Å; L21-R57 HydrophobicContact CD1-CG 3.78Å |
| 22 | E | 90.3 | Very high | 91.6 | Very high | 144 Ų | 144 | 54.7 Ų | 54.7 | 67% | 0.673 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -69.3 | -49.6 | 178.9 | -71.6 | -174 | 168.3 | 0 | 0 | 110.6 | D20 S24 L25 E26 | D20-E22 VanDerWaalsContact C-N 3.32Å; D20-E22 PolarHBondContact O-N 3.47Å; E22-S24 VanDerWaalsContact C-N 3.34Å; E22-S24 PolarHBondContact O-N 3.4Å; E22-L25 PolarHBondContact O-N 2.93Å; E22-E26 PolarHBondContact O-N 3.43Å |
| 23 | K | 91.1 | Very high | 91.1 | Very high | 81 Ų | 81 | 61.8 Ų | 61.8 | 35% | 0.352 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 173.5 | -71.6 | -172.2 | -164.2 | 134.2 | 0 | 111.7 | Y15 D20 L25 E26 Y27 | Y15-K23 HydrophobicContact CD1-CB 3.97Å; Y15-K23 HydrophobicContact CD1-CD 3.8Å; Y15-K23 HydrophobicContact CD2-CB 3.85Å; Y15-K23 HydrophobicContact CD2-CD 4.43Å; Y15-K23 HydrophobicContact CE1-CB 4.37Å; Y15-K23 HydrophobicContact CE1-CD 3.44Å; Y15-K23 VanDerWaalsContact CE1-CD 3.44Å; Y15-K23 HydrophobicContact CE2-CB 4.26Å; Y15-K23 HydrophobicContact CE2-CD 4.13Å; Y15-K23 HydrophobicContact CG-CB 3.69Å; Y15-K23 HydrophobicContact CG-CD 4.28Å; D20-K23 HydrophobicContact CB-CB 4.49Å; D20-K23 PolarHBondContact OD1-N 3.36Å; D20-K23 VanDerWaalsContact OD1-N 3.12Å; D20-K23 WeakPolarHBondContact OD2-CD 3.45Å; D20-K23 VanDerWaalsContact OD2-CE 3.26Å; D20-K23 WeakPolarHBondContact OD2-CE 3.48Å; D20-K23 WeakPolarHBondContact OD2-CG 3.12Å; D20-K23 IonicContact OD2-NZ 3.1Å; D20-K23 PolarHBondContact OD2-NZ 3.01Å; K23-L25 PolarHBondContact O-N 3.11Å; K23-E26 PolarHBondContact O-N 3.41Å; K23-Y27 HydrophobicContact CB-CD2 4.34Å; K23-Y27 HydrophobicContact CB-CE2 4.5Å; K23-Y27 VanDerWaalsContact O-CD2 3.24Å; K23-Y27 WeakPolarHBondContact O-CD2 3.06Å; K23-Y27 PolarHBondContact O-N 3.28Å |
| 24 | S | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.3 | -44.7 | 176.6 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | G12 Y16 D20 E22 Y28 | G12-S24 PolarHBondContact O-OG 3.4Å; G12-S24 VanDerWaalsContact O-OG 3.11Å; Y16-S24 WeakPolarHBondContact CB-OG 3.36Å; D20-S24 WeakPolarHBondContact O-CB 3.25Å; D20-S24 PolarHBondContact O-N 3.06Å; E22-S24 VanDerWaalsContact C-N 3.34Å; E22-S24 PolarHBondContact O-N 3.4Å; S24-Y28 WeakPolarHBondContact O-CD2 3.34Å; S24-Y28 VanDerWaalsContact O-CG 3.31Å; S24-Y28 PolarHBondContact O-N 3.47Å; S24-Y28 WeakPolarHBondContact OG-CE2 3.31Å |
| 25 | L | 90.1 | Very high | 90 | Very high | 31 Ų | 31 | 57.7 Ų | 57.7 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 177.1 | -167 | 141.9 | 0 | 0 | 0 | 112.5 | L21 E22 K23 Y27 Y28 N29 L50 V53 | L21-L25 WeakPolarHBondContact O-CB 3.42Å; L21-L25 PolarHBondContact O-N 3.06Å; E22-L25 PolarHBondContact O-N 2.93Å; K23-L25 PolarHBondContact O-N 3.11Å; L25-Y27 PolarHBondContact O-N 2.69Å; L25-Y28 PolarHBondContact O-N 3.27Å; L25-N29 WeakPolarHBondContact CD2-ND2 3.49Å; L25-N29 WeakPolarHBondContact O-CB 3.35Å; L25-N29 PolarHBondContact O-N 2.9Å; L25-N29 PolarHBondContact O-ND2 3.17Å; L25-L50 HydrophobicContact CG-CD2 4.13Å; L25-V53 HydrophobicContact CB-CG1 4.15Å; L25-V53 HydrophobicContact CD1-CG1 4.13Å |
| 26 | E | 91 | Very high | 89.3 | Confident | 94 Ų | 94 | 60.4 Ų | 60.4 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.8 | -50.2 | 176.5 | -169.3 | -159.4 | 141.1 | 0 | 0 | 111.2 | E22 K23 Y28 N29 R30 | E22-E26 PolarHBondContact O-N 3.43Å; K23-E26 PolarHBondContact O-N 3.41Å; E26-Y28 PolarHBondContact O-N 3.38Å; E26-N29 PolarHBondContact O-N 3.37Å; E26-R30 WeakPolarHBondContact O-CG 3.31Å; E26-R30 PolarHBondContact O-N 3.49Å; E26-R30 IonicContact OE1-NH1 3.19Å; E26-R30 PolarHBondContact OE1-NH1 3.25Å |
| 27 | Y | 93.7 | Very high | 88.2 | Confident | 36 Ų | 36 | 62 Ų | 62 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68 | -36.1 | -177.4 | -84.4 | -94.8 | 0 | 0 | 0 | 112.8 | L8 E11 Y15 K23 L25 A31 | L8-Y27 HydrophobicContact CD2-CD1 3.72Å; L8-Y27 HydrophobicContact CD2-CE1 4.01Å; E11-Y27 HydrophobicContact CB-CD1 3.48Å; E11-Y27 VanDerWaalsContact CB-CD1 3.48Å; E11-Y27 HydrophobicContact CB-CE1 3.65Å; E11-Y27 HydrophobicContact CB-CG 4.25Å; E11-Y27 HydrophobicContact CG-CD1 4.44Å; E11-Y27 HydrophobicContact CG-CE1 4.22Å; E11-Y27 WeakPolarHBondContact OE2-CE1 3.45Å; Y15-Y27 AromaticContact CD2-CD2 3.8Å; Y15-Y27 HydrophobicContact CD2-CD2 3.8Å; Y15-Y27 AromaticContact CD2-CE2 3.85Å; Y15-Y27 HydrophobicContact CD2-CE2 3.85Å; Y15-Y27 HydrophobicContact CD2-CG 4.35Å; Y15-Y27 AromaticContact CE2-CD2 3.78Å; Y15-Y27 HydrophobicContact CE2-CD2 3.78Å; Y15-Y27 HydrophobicContact CE2-CE1 4.39Å; Y15-Y27 AromaticContact CE2-CE2 3.31Å; Y15-Y27 HydrophobicContact CE2-CE2 3.31Å; Y15-Y27 HydrophobicContact CE2-CG 4.46Å; Y15-Y27 AromaticContact CE2-CZ 3.65Å; K23-Y27 HydrophobicContact CB-CD2 4.34Å; K23-Y27 HydrophobicContact CB-CE2 4.5Å; K23-Y27 VanDerWaalsContact O-CD2 3.24Å; K23-Y27 WeakPolarHBondContact O-CD2 3.06Å; K23-Y27 PolarHBondContact O-N 3.28Å; L25-Y27 PolarHBondContact O-N 2.69Å; Y27-A31 VanDerWaalsContact O-CB 3.31Å; Y27-A31 WeakPolarHBondContact O-CB 3.42Å; Y27-A31 PolarHBondContact O-N 3.35Å |
| 28 | Y | 92.1 | Very high | 87.4 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.6 | -37.6 | 173.9 | -67.9 | -39.8 | 0 | 0 | 0 | 113 | G12 N13 S24 L25 E26 A31 L32 L46 N49 L50 V53 | G12-Y28 PolarHBondContact O-OH 2.99Å; N13-Y28 WeakPolarHBondContact CA-OH 3.49Å; N13-Y28 PolarHBondContact N-OH 2.99Å; N13-Y28 WeakPolarHBondContact OD1-CE1 3.49Å; N13-Y28 PolarHBondContact OD1-OH 3.15Å; S24-Y28 WeakPolarHBondContact O-CD2 3.34Å; S24-Y28 VanDerWaalsContact O-CG 3.31Å; S24-Y28 PolarHBondContact O-N 3.47Å; S24-Y28 WeakPolarHBondContact OG-CE2 3.31Å; L25-Y28 PolarHBondContact O-N 3.27Å; E26-Y28 PolarHBondContact O-N 3.38Å; Y28-A31 PolarHBondContact O-N 3.02Å; Y28-L32 PolarHBondContact O-N 2.93Å; Y28-L46 HydrophobicContact CD1-CD2 3.89Å; Y28-N49 HydrophobicContact CD1-CB 4.29Å; Y28-N49 HydrophobicContact CD2-CB 4.03Å; Y28-N49 HydrophobicContact CE1-CB 3.93Å; Y28-N49 HydrophobicContact CE2-CB 3.65Å; Y28-N49 HydrophobicContact CG-CB 4.35Å; Y28-L50 HydrophobicContact CD2-CD2 4.37Å; Y28-V53 HydrophobicContact CD2-CG2 4Å; Y28-V53 HydrophobicContact CE2-CG2 3.79Å |
| 29 | N | 89.2 | Confident | 86.6 | Confident | 64 Ų | 64 | 59 Ų | 59 | 34% | 0.342 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 174.6 | -76.9 | -28.5 | 0 | 0 | 0 | 111.5 | L25 E26 A31 L32 E33 | L25-N29 WeakPolarHBondContact CD2-ND2 3.49Å; L25-N29 WeakPolarHBondContact O-CB 3.35Å; L25-N29 PolarHBondContact O-N 2.9Å; L25-N29 PolarHBondContact O-ND2 3.17Å; E26-N29 PolarHBondContact O-N 3.37Å; N29-A31 VanDerWaalsContact C-N 3.3Å; N29-A31 PolarHBondContact O-N 3.44Å; N29-L32 WeakPolarHBondContact O-CB 3.46Å; N29-L32 PolarHBondContact O-N 2.99Å; N29-L32 VanDerWaalsContact O-N 3.07Å; N29-E33 PolarHBondContact O-N 3.15Å |
| 30 | R | 88.7 | Confident | 85.9 | Confident | 85 Ų | 85 | 59.3 Ų | 59.3 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 172.9 | -70.6 | 173.3 | 61 | -173.9 | -4 | 111.9 | L8 E26 L32 E33 H34 | L8-R30 HydrophobicContact CD1-CB 4.09Å; E26-R30 WeakPolarHBondContact O-CG 3.31Å; E26-R30 PolarHBondContact O-N 3.49Å; E26-R30 IonicContact OE1-NH1 3.19Å; E26-R30 PolarHBondContact OE1-NH1 3.25Å; R30-L32 VanDerWaalsContact C-N 3.29Å; R30-L32 PolarHBondContact O-N 3.31Å; R30-E33 WeakPolarHBondContact O-CB 3.43Å; R30-E33 PolarHBondContact O-N 3.49Å; R30-H34 PolarHBondContact O-CD2 3.49Å; R30-H34 PolarHBondContact O-N 3.47Å; R30-H34 VanDerWaalsContact O-N 3.15Å |
| 31 | A | 87.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | S5 L8 K9 Y27 Y28 N29 H34 C35 L46 | S5-A31 PolarHBondContact OG-O 3.18Å; S5-A31 VanDerWaalsContact OG-O 3.12Å; L8-A31 HydrophobicContact CB-CB 3.77Å; K9-A31 HydrophobicContact CB-CB 4.46Å; Y27-A31 VanDerWaalsContact O-CB 3.31Å; Y27-A31 WeakPolarHBondContact O-CB 3.42Å; Y27-A31 PolarHBondContact O-N 3.35Å; Y28-A31 PolarHBondContact O-N 3.02Å; N29-A31 VanDerWaalsContact C-N 3.3Å; N29-A31 PolarHBondContact O-N 3.44Å; A31-H34 PolarHBondContact O-N 3Å; A31-C35 VanDerWaalsContact O-CB 3.25Å; A31-C35 WeakPolarHBondContact O-CB 3.36Å; A31-C35 PolarHBondContact O-N 3.15Å; A31-L46 HydrophobicContact CB-CD1 3.91Å; A31-L46 HydrophobicContact CB-CD2 3.56Å; A31-L46 HydrophobicContact CB-CG 4.41Å |
| 32 | L | 85.1 | Confident | 84.7 | Confident | 20 Ų | 20 | 60 Ų | 60 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -35.9 | 175.1 | -82.1 | 167.7 | 0 | 0 | 0 | 112.9 | Y28 N29 R30 H34 C35 R43 L46 F47 L50 | Y28-L32 PolarHBondContact O-N 2.93Å; N29-L32 WeakPolarHBondContact O-CB 3.46Å; N29-L32 PolarHBondContact O-N 2.99Å; N29-L32 VanDerWaalsContact O-N 3.07Å; R30-L32 VanDerWaalsContact C-N 3.29Å; R30-L32 PolarHBondContact O-N 3.31Å; L32-H34 VanDerWaalsContact C-N 3.34Å; L32-C35 PolarHBondContact O-N 3.05Å; L32-R43 HydrophobicContact CD2-CB 4.44Å; L32-R43 HydrophobicContact CD2-CG 4.36Å; L32-L46 HydrophobicContact CD1-CB 4.43Å; L32-L46 HydrophobicContact CD2-CB 3.81Å; L32-L46 HydrophobicContact CD2-CD1 3.83Å; L32-L46 HydrophobicContact CD2-CG 4.47Å; L32-L46 HydrophobicContact CG-CB 3.85Å; L32-L46 HydrophobicContact CG-CD1 3.86Å; L32-L46 HydrophobicContact CG-CG 4.43Å; L32-F47 HydrophobicContact CD1-CD1 4.15Å; L32-F47 HydrophobicContact CD1-CE1 3.69Å; L32-F47 HydrophobicContact CD1-CE2 4.5Å; L32-F47 HydrophobicContact CD1-CZ 3.89Å; L32-F47 HydrophobicContact CD2-CD2 4.21Å; L32-F47 HydrophobicContact CD2-CE1 4.33Å; L32-F47 HydrophobicContact CD2-CE2 3.66Å; L32-F47 HydrophobicContact CD2-CZ 3.74Å; L32-F47 HydrophobicContact CG-CZ 4.49Å; L32-L50 HydrophobicContact CD1-CD1 3.53Å |
| 33 | E | 83.9 | Confident | 84.4 | Confident | 150 Ų | 150 | 53.5 Ų | 53.5 | 70% | 0.701 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.3 | -36.7 | 175.2 | -68.9 | 171.1 | -178.4 | 0 | 0 | 112.2 | N29 R30 | N29-E33 PolarHBondContact O-N 3.15Å; R30-E33 WeakPolarHBondContact O-CB 3.43Å; R30-E33 PolarHBondContact O-N 3.49Å |
| 34 | H | 83.4 | Confident | 84 | Confident | 65 Ų | 65 | 49.7 Ų | 49.7 | 30% | 0.301 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -5.1 | 176.8 | -70.8 | -70.3 | 0 | 0 | 0 | 114.3 | L8 R30 A31 L32 | L8-H34 WeakPolarHBondContact CD1-CD2 3.26Å; R30-H34 PolarHBondContact O-CD2 3.49Å; R30-H34 PolarHBondContact O-N 3.47Å; R30-H34 VanDerWaalsContact O-N 3.15Å; A31-H34 PolarHBondContact O-N 3Å; L32-H34 VanDerWaalsContact C-N 3.34Å |
| 35 | C | 82 | Confident | 83.6 | Confident | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.054 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -91.8 | 122.3 | -178.8 | -164.2 | 0 | 0 | 0 | 0 | 110.9 | A31 L32 Q39 R43 L46 | A31-C35 VanDerWaalsContact O-CB 3.25Å; A31-C35 WeakPolarHBondContact O-CB 3.36Å; A31-C35 PolarHBondContact O-N 3.15Å; L32-C35 PolarHBondContact O-N 3.05Å; C35-Q39 PolarHBondContact SG-OE1 3.13Å; C35-R43 HydrophobicContact CB-CG 4.2Å; C35-R43 WeakPolarHBondContact SG-CG 3.46Å; C35-L46 HydrophobicContact CB-CD1 4.27Å |
| 36 | Q | 79.4 | Confident | 83.5 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 40% | 0.397 | 26% | 0.259 | S | S | . | . | trans | -66.9 | 151.5 | 179.6 | -64.7 | -178.3 | -34.1 | 0 | 0 | 111.2 | D38 Q39 R43 | Q36-D38 VanDerWaalsContact C-N 3.27Å; Q36-D38 WeakPolarHBondContact CB-OD1 3.46Å; Q36-D38 PolarHBondContact O-N 3.07Å; Q36-Q39 HydrophobicContact CB-CG 4.12Å; Q36-Q39 VanDerWaalsContact N-OE1 3.12Å; Q36-Q39 WeakPolarHBondContact O-CB 3.42Å; Q36-Q39 PolarHBondContact O-N 3.03Å; Q36-Q39 VanDerWaalsContact O-N 3.13Å; Q36-R43 WeakPolarHBondContact O-CD 3.08Å | ||
| 37 | K | 71 | Confident | 83.4 | Confident | 98 Ų | 98 | 46.6 Ų | 46.6 | 43% | 0.426 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -28.2 | -171.9 | -70.5 | -176.8 | 178.1 | 176.8 | 0 | 113.5 | Q39 | K37-Q39 VanDerWaalsContact C-N 3.32Š|
| 38 | D | 74 | Confident | 83.2 | Confident | 120 Ų | 120 | 46 Ų | 46 | 64% | 0.642 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -11.5 | 177 | 59.7 | -36.8 | 0 | 0 | 0 | 113.5 | Q36 C40 | Q36-D38 VanDerWaalsContact C-N 3.27Å; Q36-D38 WeakPolarHBondContact CB-OD1 3.46Å; Q36-D38 PolarHBondContact O-N 3.07Å; D38-C40 PolarHBondContact O-N 3.31Å |
| 39 | Q | 75.8 | Confident | 83.1 | Confident | 22 Ų | 22 | 47 Ų | 47 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | trans | -81.1 | 59.6 | 177.6 | -64 | 179.4 | -31.8 | 0 | 0 | 112 | E2 C35 Q36 K37 A41 V42 R43 | E2-Q39 VanDerWaalsContact CG-NE2 3.3Å; E2-Q39 PolarHBondContact OE1-NE2 3.23Å; E2-Q39 PolarHBondContact OE2-NE2 2.67Å; C35-Q39 PolarHBondContact SG-OE1 3.13Å; Q36-Q39 HydrophobicContact CB-CG 4.12Å; Q36-Q39 VanDerWaalsContact N-OE1 3.12Å; Q36-Q39 WeakPolarHBondContact O-CB 3.42Å; Q36-Q39 PolarHBondContact O-N 3.03Å; Q36-Q39 VanDerWaalsContact O-N 3.13Å; K37-Q39 VanDerWaalsContact C-N 3.32Å; Q39-A41 VanDerWaalsContact C-N 3.34Å; Q39-A41 PolarHBondContact O-N 2.9Å; Q39-V42 HydrophobicContact CB-CB 4.34Å; Q39-V42 HydrophobicContact CB-CG2 4.46Å; Q39-V42 PolarHBondContact O-N 3Å; Q39-V42 VanDerWaalsContact O-N 3.15Å; Q39-R43 PolarHBondContact O-N 3.05Å | ||
| 40 | C | 75.6 | Confident | 83.2 | Confident | 54 Ų | 54 | 44.1 Ų | 44.1 | 37% | 0.365 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -52.2 | -45.2 | -172.2 | -64.9 | 0 | 0 | 0 | 0 | 113.6 | D38 V42 A44 L87 | D38-C40 PolarHBondContact O-N 3.31Å; C40-V42 PolarHBondContact O-N 3.46Å; C40-A44 VanDerWaalsContact O-CB 3.26Å; C40-A44 WeakPolarHBondContact O-CB 3.48Å; C40-A44 PolarHBondContact O-N 3.49Å; C40-L87 HydrophobicContact CB-CB 4.47Å; C40-L87 HydrophobicContact CB-CD2 3.8Å |
| 41 | A | 78.6 | Confident | 83.2 | Confident | 67 Ų | 67 | 40.1 Ų | 40.1 | 55% | 0.554 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -66.6 | -38.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q39 T45 | Q39-A41 VanDerWaalsContact C-N 3.34Å; Q39-A41 PolarHBondContact O-N 2.9Å; A41-T45 PolarHBondContact O-N 3.09Å; A41-T45 VanDerWaalsContact O-N 3.12Å; A41-T45 PolarHBondContact O-OG1 2.87Å |
| 42 | V | 82.3 | Confident | 83.3 | Confident | 32 Ų | 32 | 40.4 Ų | 40.4 | 19% | 0.194 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.9 | -46.5 | 178.9 | -177 | 0 | 0 | 0 | 0 | 109.8 | Q39 C40 A44 T45 L46 | Q39-V42 HydrophobicContact CB-CB 4.34Å; Q39-V42 HydrophobicContact CB-CG2 4.46Å; Q39-V42 PolarHBondContact O-N 3Å; Q39-V42 VanDerWaalsContact O-N 3.15Å; C40-V42 PolarHBondContact O-N 3.46Å; V42-A44 PolarHBondContact O-N 3.03Å; V42-T45 WeakPolarHBondContact O-CB 3.41Å; V42-T45 PolarHBondContact O-N 3.34Å; V42-T45 VanDerWaalsContact O-N 3.15Å; V42-L46 HydrophobicContact CG1-CD1 4.34Å; V42-L46 PolarHBondContact O-N 3.06Å |
| 43 | R | 84 | Confident | 83.7 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 175.1 | -68.8 | -175 | 66.3 | 87.1 | 1 | 111.9 | L32 C35 Q36 Q39 T45 L46 F47 N81 L87 | L32-R43 HydrophobicContact CD2-CB 4.44Å; L32-R43 HydrophobicContact CD2-CG 4.36Å; C35-R43 HydrophobicContact CB-CG 4.2Å; C35-R43 WeakPolarHBondContact SG-CG 3.46Å; Q36-R43 WeakPolarHBondContact O-CD 3.08Å; Q39-R43 PolarHBondContact O-N 3.05Å; R43-T45 PolarHBondContact O-N 2.99Å; R43-L46 PolarHBondContact O-N 2.95Å; R43-L46 VanDerWaalsContact O-N 3.13Å; R43-F47 HydrophobicContact CB-CD2 4.49Å; R43-F47 HydrophobicContact CB-CE2 4.35Å; R43-F47 WeakPolarHBondContact O-CD2 3.38Å; R43-F47 PolarHBondContact O-N 3.13Å; R43-N81 PolarHBondContact NH2-OD1 3.45Å; R43-L87 HydrophobicContact CB-CD1 3.46Å; R43-L87 VanDerWaalsContact CB-CD1 3.46Å |
| 44 | A | 82.5 | Confident | 84.1 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -39.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C40 V42 K48 L87 V88 | C40-A44 VanDerWaalsContact O-CB 3.26Å; C40-A44 WeakPolarHBondContact O-CB 3.48Å; C40-A44 PolarHBondContact O-N 3.49Å; V42-A44 PolarHBondContact O-N 3.03Å; A44-K48 WeakPolarHBondContact O-CB 3.24Å; A44-K48 WeakPolarHBondContact O-CE 3.43Å; A44-K48 VanDerWaalsContact O-CG 3.25Å; A44-K48 WeakPolarHBondContact O-CG 3.48Å; A44-K48 PolarHBondContact O-N 3.43Å; A44-L87 HydrophobicContact CB-CB 3.79Å; A44-L87 HydrophobicContact CB-CD1 4.13Å; A44-V88 HydrophobicContact CB-CB 4.5Å; A44-V88 HydrophobicContact CB-CG2 3.77Å |
| 45 | T | 86.5 | Confident | 84.5 | Confident | 48 Ų | 48 | 31.7 Ų | 31.7 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 176.5 | -58.5 | 0 | 0 | 0 | 0 | 112.3 | A41 V42 R43 K48 N49 | A41-T45 PolarHBondContact O-N 3.09Å; A41-T45 VanDerWaalsContact O-N 3.12Å; A41-T45 PolarHBondContact O-OG1 2.87Å; V42-T45 WeakPolarHBondContact O-CB 3.41Å; V42-T45 PolarHBondContact O-N 3.34Å; V42-T45 VanDerWaalsContact O-N 3.15Å; R43-T45 PolarHBondContact O-N 2.99Å; T45-K48 WeakPolarHBondContact O-CB 3.25Å; T45-K48 PolarHBondContact O-N 3.35Å; T45-N49 VanDerWaalsContact O-CG 3.29Å; T45-N49 PolarHBondContact O-N 3.3Å; T45-N49 PolarHBondContact O-OD1 2.86Å |
| 46 | L | 88 | Confident | 84.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.9 | -46.8 | 176.3 | -71.1 | 167.9 | 0 | 0 | 0 | 112.1 | K9 Y28 A31 L32 C35 V42 R43 K48 N49 L50 | K9-L46 HydrophobicContact CB-CD2 3.97Å; K9-L46 HydrophobicContact CG-CD2 3.85Å; Y28-L46 HydrophobicContact CD1-CD2 3.89Å; A31-L46 HydrophobicContact CB-CD1 3.91Å; A31-L46 HydrophobicContact CB-CD2 3.56Å; A31-L46 HydrophobicContact CB-CG 4.41Å; L32-L46 HydrophobicContact CD1-CB 4.43Å; L32-L46 HydrophobicContact CD2-CB 3.81Å; L32-L46 HydrophobicContact CD2-CD1 3.83Å; L32-L46 HydrophobicContact CD2-CG 4.47Å; L32-L46 HydrophobicContact CG-CB 3.85Å; L32-L46 HydrophobicContact CG-CD1 3.86Å; L32-L46 HydrophobicContact CG-CG 4.43Å; C35-L46 HydrophobicContact CB-CD1 4.27Å; V42-L46 HydrophobicContact CG1-CD1 4.34Å; V42-L46 PolarHBondContact O-N 3.06Å; R43-L46 PolarHBondContact O-N 2.95Å; R43-L46 VanDerWaalsContact O-N 3.13Å; L46-K48 PolarHBondContact O-N 3.46Å; L46-N49 WeakPolarHBondContact O-CB 3.26Å; L46-N49 PolarHBondContact O-N 2.97Å; L46-N49 VanDerWaalsContact O-N 3.09Å; L46-L50 PolarHBondContact O-N 2.83Å |
| 47 | F | 87.9 | Confident | 85.6 | Confident | 12 Ų | 12 | 38 Ų | 38 | 5% | 0.053 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 176.8 | -74.6 | -61.6 | 0 | 0 | 0 | 113 | L32 R43 N49 L50 A51 F82 L83 A84 L87 | L32-F47 HydrophobicContact CD1-CD1 4.15Å; L32-F47 HydrophobicContact CD1-CE1 3.69Å; L32-F47 HydrophobicContact CD1-CE2 4.5Å; L32-F47 HydrophobicContact CD1-CZ 3.89Å; L32-F47 HydrophobicContact CD2-CD2 4.21Å; L32-F47 HydrophobicContact CD2-CE1 4.33Å; L32-F47 HydrophobicContact CD2-CE2 3.66Å; L32-F47 HydrophobicContact CD2-CZ 3.74Å; L32-F47 HydrophobicContact CG-CZ 4.49Å; R43-F47 HydrophobicContact CB-CD2 4.49Å; R43-F47 HydrophobicContact CB-CE2 4.35Å; R43-F47 WeakPolarHBondContact O-CD2 3.38Å; R43-F47 PolarHBondContact O-N 3.13Å; F47-N49 VanDerWaalsContact C-N 3.3Å; F47-N49 PolarHBondContact O-N 2.87Å; F47-L50 HydrophobicContact CD1-CD1 4.13Å; F47-L50 HydrophobicContact CE1-CD1 4.5Å; F47-L50 PolarHBondContact O-N 2.96Å; F47-A51 PolarHBondContact O-N 3.47Å; F47-F82 WeakPolarHBondContact CD2-O 2.87Å; F47-F82 WeakPolarHBondContact CE2-O 3.12Å; F47-L83 HydrophobicContact CD1-CD2 3.65Å; F47-L83 HydrophobicContact CE1-CD2 3.75Å; F47-L83 HydrophobicContact CG-CD2 4.18Å; F47-L83 HydrophobicContact CZ-CD2 4.37Å; F47-A84 HydrophobicContact CB-CB 3.86Å; F47-L87 HydrophobicContact CD2-CD1 4.22Å; F47-L87 HydrophobicContact CE2-CD1 4.47Å |
| 48 | K | 88.8 | Confident | 86.6 | Confident | 25 Ų | 25 | 40 Ų | 40 | 11% | 0.109 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.6 | -51.2 | 169.7 | -80.2 | -177.1 | -55.3 | -169 | 0 | 110 | A44 T45 L46 L50 A51 A52 A84 D91 K93 A94 R97 | A44-K48 WeakPolarHBondContact O-CB 3.24Å; A44-K48 WeakPolarHBondContact O-CE 3.43Å; A44-K48 VanDerWaalsContact O-CG 3.25Å; A44-K48 WeakPolarHBondContact O-CG 3.48Å; A44-K48 PolarHBondContact O-N 3.43Å; T45-K48 WeakPolarHBondContact O-CB 3.25Å; T45-K48 PolarHBondContact O-N 3.35Å; L46-K48 PolarHBondContact O-N 3.46Å; K48-L50 VanDerWaalsContact C-N 3.35Å; K48-L50 PolarHBondContact O-N 3.47Å; K48-A51 WeakPolarHBondContact O-CB 3.37Å; K48-A51 PolarHBondContact O-N 2.86Å; K48-A52 PolarHBondContact O-N 3.46Å; K48-A52 VanDerWaalsContact O-N 3.09Å; K48-A84 HydrophobicContact CG-CB 3.99Å; K48-D91 WeakPolarHBondContact CD-OD1 3.34Å; K48-D91 WeakPolarHBondContact CD-OD2 3.43Å; K48-D91 WeakPolarHBondContact CE-OD2 3.41Å; K48-D91 IonicContact NZ-OD1 2.87Å; K48-D91 IonicContact NZ-OD2 3.7Å; K48-D91 PolarHBondContact NZ-OD2 3.12Å; K48-K93 HydrophobicContact CD-CB 4.18Å; K48-A94 HydrophobicContact CD-CB 4.1Å; K48-A94 HydrophobicContact CG-CB 3.85Å; K48-R97 PolarHBondContact O-NH1 2.57Å |
| 49 | N | 91 | Very high | 87.3 | Confident | 24 Ų | 24 | 37.5 Ų | 37.5 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | -177.3 | -73.9 | -3.7 | 0 | 0 | 0 | 112.1 | N13 Y28 T45 L46 F47 A51 A52 V53 | N13-N49 PolarHBondContact OD1-ND2 3.34Å; Y28-N49 HydrophobicContact CD1-CB 4.29Å; Y28-N49 HydrophobicContact CD2-CB 4.03Å; Y28-N49 HydrophobicContact CE1-CB 3.93Å; Y28-N49 HydrophobicContact CE2-CB 3.65Å; Y28-N49 HydrophobicContact CG-CB 4.35Å; T45-N49 VanDerWaalsContact O-CG 3.29Å; T45-N49 PolarHBondContact O-N 3.3Å; T45-N49 PolarHBondContact O-OD1 2.86Å; L46-N49 WeakPolarHBondContact O-CB 3.26Å; L46-N49 PolarHBondContact O-N 2.97Å; L46-N49 VanDerWaalsContact O-N 3.09Å; F47-N49 VanDerWaalsContact C-N 3.3Å; F47-N49 PolarHBondContact O-N 2.87Å; N49-A51 PolarHBondContact O-N 2.88Å; N49-A52 WeakPolarHBondContact O-CB 3.45Å; N49-A52 PolarHBondContact O-N 3.06Å; N49-A52 VanDerWaalsContact O-N 3.07Å; N49-V53 WeakPolarHBondContact O-CG2 3.34Å; N49-V53 PolarHBondContact O-N 3.24Å |
| 50 | L | 90.4 | Very high | 87.9 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.2 | -46.4 | 170.9 | -74.7 | 171.2 | 0 | 0 | 0 | 111.9 | L25 Y28 L32 L46 F47 K48 A52 V53 H54 N66 | L25-L50 HydrophobicContact CG-CD2 4.13Å; Y28-L50 HydrophobicContact CD2-CD2 4.37Å; L32-L50 HydrophobicContact CD1-CD1 3.53Å; L46-L50 PolarHBondContact O-N 2.83Å; F47-L50 HydrophobicContact CD1-CD1 4.13Å; F47-L50 HydrophobicContact CE1-CD1 4.5Å; F47-L50 PolarHBondContact O-N 2.96Å; K48-L50 VanDerWaalsContact C-N 3.35Å; K48-L50 PolarHBondContact O-N 3.47Å; L50-A52 PolarHBondContact O-N 3.02Å; L50-V53 WeakPolarHBondContact O-CB 3.47Å; L50-V53 PolarHBondContact O-N 3.07Å; L50-H54 PolarHBondContact O-CD2 3.18Å; L50-H54 PolarHBondContact O-N 2.97Å; L50-N66 HydrophobicContact CB-CB 4.44Å |
| 51 | A | 88.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.6 | -36.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F47 K48 N49 H54 L55 N66 A67 R97 | F47-A51 PolarHBondContact O-N 3.47Å; K48-A51 WeakPolarHBondContact O-CB 3.37Å; K48-A51 PolarHBondContact O-N 2.86Å; N49-A51 PolarHBondContact O-N 2.88Å; A51-H54 PolarHBondContact O-N 3.2Å; A51-L55 VanDerWaalsContact O-CG 3.32Å; A51-L55 WeakPolarHBondContact O-CG 3.27Å; A51-L55 PolarHBondContact O-N 2.93Å; A51-N66 HydrophobicContact CB-CB 3.92Å; A51-A67 HydrophobicContact CB-CB 4.18Å; A51-R97 HydrophobicContact CB-CB 4.43Å |
| 52 | A | 91.6 | Very high | 88.6 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 5% | 0.05 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.7 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y16 K48 N49 L50 L55 K56 | Y16-A52 HydrophobicContact CE2-CB 4.29Å; K48-A52 PolarHBondContact O-N 3.46Å; K48-A52 VanDerWaalsContact O-N 3.09Å; N49-A52 WeakPolarHBondContact O-CB 3.45Å; N49-A52 PolarHBondContact O-N 3.06Å; N49-A52 VanDerWaalsContact O-N 3.07Å; L50-A52 PolarHBondContact O-N 3.02Å; A52-L55 PolarHBondContact O-N 3.48Å; A52-K56 PolarHBondContact O-N 3.06Å; A52-K56 VanDerWaalsContact O-N 3.15Å |
| 53 | V | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62 | -47.4 | 174.3 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | Y16 L21 L25 Y28 N49 L50 L55 K56 R57 | Y16-V53 HydrophobicContact CD2-CG2 3.81Å; Y16-V53 HydrophobicContact CE2-CG2 4.05Å; L21-V53 HydrophobicContact CB-CG1 4.21Å; L25-V53 HydrophobicContact CB-CG1 4.15Å; L25-V53 HydrophobicContact CD1-CG1 4.13Å; Y28-V53 HydrophobicContact CD2-CG2 4Å; Y28-V53 HydrophobicContact CE2-CG2 3.79Å; N49-V53 WeakPolarHBondContact O-CG2 3.34Å; N49-V53 PolarHBondContact O-N 3.24Å; L50-V53 WeakPolarHBondContact O-CB 3.47Å; L50-V53 PolarHBondContact O-N 3.07Å; V53-L55 PolarHBondContact O-N 3.09Å; V53-K56 PolarHBondContact O-N 2.92Å; V53-R57 HydrophobicContact CG1-CG 4.46Å; V53-R57 WeakPolarHBondContact O-CG 3.4Å; V53-R57 PolarHBondContact O-N 3.05Å |
| 54 | H | 92 | Very high | 88.8 | Confident | 23 Ų | 23 | 35.7 Ų | 35.7 | 11% | 0.106 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.6 | -37.5 | 179.1 | -77 | -76.1 | 0 | 0 | 0 | 113 | L50 A51 K56 R57 Q58 D59 A62 A63 N66 | L50-H54 PolarHBondContact O-CD2 3.18Å; L50-H54 PolarHBondContact O-N 2.97Å; A51-H54 PolarHBondContact O-N 3.2Å; H54-K56 VanDerWaalsContact C-N 3.34Å; H54-K56 PolarHBondContact O-N 3.31Å; H54-R57 CarbonylContact O-C 3.56Å; H54-R57 PolarHBondContact O-N 3.13Å; H54-Q58 PolarHBondContact O-N 2.63Å; H54-Q58 VanDerWaalsContact O-N 3.07Å; H54-D59 HydrophobicContact CB-CB 4.44Å; H54-D59 IonicContact CE1-OD2 3.55Å; H54-D59 IonicContact ND1-OD2 2.75Å; H54-D59 PolarHBondContact ND1-OD2 2.64Å; H54-D59 PolarHBondContact O-N 3.13Å; H54-A62 HydrophobicContact CB-CB 4.33Å; H54-A62 VanDerWaalsContact ND1-CB 3.34Å; H54-A62 WeakPolarHBondContact ND1-CB 3.32Å; H54-A63 HydrophobicContact CB-CB 3.81Å; H54-N66 PolarHBondContact CD2-ND2 3.45Å; H54-N66 PolarHBondContact NE2-ND2 3.18Å |
| 55 | L | 91.4 | Very high | 88.8 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 15% | 0.152 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 171.6 | -77.4 | 170 | 0 | 0 | 0 | 112 | A51 A52 V53 R57 Q58 Y60 A63 R97 Q100 A101 | A51-L55 VanDerWaalsContact O-CG 3.32Å; A51-L55 WeakPolarHBondContact O-CG 3.27Å; A51-L55 PolarHBondContact O-N 2.93Å; A52-L55 PolarHBondContact O-N 3.48Å; V53-L55 PolarHBondContact O-N 3.09Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-Q58 PolarHBondContact O-N 3.49Å; L55-Y60 HydrophobicContact CD2-CD1 4.25Å; L55-A63 HydrophobicContact CD2-CB 3.97Å; L55-A63 HydrophobicContact CG-CB 3.85Å; L55-R97 HydrophobicContact CD1-CB 3.79Å; L55-R97 HydrophobicContact CD1-CG 3.85Å; L55-Q100 HydrophobicContact CD1-CB 4.24Å; L55-Q100 HydrophobicContact CD2-CB 3.93Å; L55-A101 HydrophobicContact CD2-CB 4.04Å |
| 56 | K | 91.8 | Very high | 88.5 | Confident | 108 Ų | 108 | 41.6 Ų | 41.6 | 47% | 0.47 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.5 | -31.9 | 176 | -80.6 | -168.4 | 173.4 | -179.7 | 0 | 112.9 | Y16 L21 A52 V53 H54 Q58 | Y16-K56 HydrophobicContact CE2-CD 3.81Å; Y16-K56 VanDerWaalsContact OH-CE 3.27Å; Y16-K56 WeakPolarHBondContact OH-CE 3.41Å; L21-K56 HydrophobicContact CD1-CB 3.71Å; L21-K56 HydrophobicContact CD2-CB 4.15Å; L21-K56 HydrophobicContact CD2-CD 3.76Å; A52-K56 PolarHBondContact O-N 3.06Å; A52-K56 VanDerWaalsContact O-N 3.15Å; V53-K56 PolarHBondContact O-N 2.92Å; H54-K56 VanDerWaalsContact C-N 3.34Å; H54-K56 PolarHBondContact O-N 3.31Å; K56-Q58 PolarHBondContact O-N 3.3Å |
| 57 | R | 92.8 | Very high | 88.2 | Confident | 118 Ų | 118 | 41.6 Ų | 41.6 | 45% | 0.445 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -1.4 | 174.7 | -69 | -175.4 | 69.9 | 178.9 | 5 | 113.9 | L21 V53 H54 L55 D59 | L21-R57 HydrophobicContact CB-CG 4.23Å; L21-R57 HydrophobicContact CD1-CG 3.78Å; V53-R57 HydrophobicContact CG1-CG 4.46Å; V53-R57 WeakPolarHBondContact O-CG 3.4Å; V53-R57 PolarHBondContact O-N 3.05Å; H54-R57 CarbonylContact O-C 3.56Å; H54-R57 PolarHBondContact O-N 3.13Å; L55-R57 VanDerWaalsContact C-N 3.33Å; R57-D59 PolarHBondContact O-N 2.93Å |
| 58 | Q | 91.4 | Very high | 87.5 | Confident | 141 Ų | 141 | 42 Ų | 42 | 66% | 0.659 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 20.9 | -174.6 | -52.1 | 179.8 | 1 | 0 | 0 | 114.3 | H54 L55 K56 Y60 | H54-Q58 PolarHBondContact O-N 2.63Å; H54-Q58 VanDerWaalsContact O-N 3.07Å; L55-Q58 PolarHBondContact O-N 3.49Å; K56-Q58 PolarHBondContact O-N 3.3Å; Q58-Y60 HydrophobicContact CB-CE1 4.4Å; Q58-Y60 HydrophobicContact CB-CE2 4.13Å; Q58-Y60 WeakPolarHBondContact O-CD2 3.48Å; Q58-Y60 WeakPolarHBondContact O-CE2 3.34Å; Q58-Y60 PolarHBondContact O-N 3.44Å |
| 59 | D | 89.9 | Confident | 86 | Confident | 67 Ų | 67 | 42.9 Ų | 42.9 | 36% | 0.358 | 21% | 0.208 | S | C | . | . | trans | -91.9 | 77.5 | 173.3 | -177.1 | -4.6 | 0 | 0 | 0 | 109.4 | H54 R57 A61 A62 A63 | H54-D59 HydrophobicContact CB-CB 4.44Å; H54-D59 IonicContact CE1-OD2 3.55Å; H54-D59 IonicContact ND1-OD2 2.75Å; H54-D59 PolarHBondContact ND1-OD2 2.64Å; H54-D59 PolarHBondContact O-N 3.13Å; R57-D59 PolarHBondContact O-N 2.93Å; D59-A61 VanDerWaalsContact C-N 3.33Å; D59-A61 PolarHBondContact O-N 3.22Å; D59-A62 HydrophobicContact CB-CB 4.38Å; D59-A62 PolarHBondContact O-N 3.4Å; D59-A62 WeakPolarHBondContact OD1-CB 3.05Å; D59-A62 PolarHBondContact OD1-N 2.72Å; D59-A62 VanDerWaalsContact OD1-N 3.13Å; D59-A62 WeakPolarHBondContact OD2-CB 3.36Å; D59-A63 WeakPolarHBondContact O-CB 3.34Å; D59-A63 PolarHBondContact O-N 3.34Å | ||
| 60 | Y | 88.6 | Confident | 83.8 | Confident | 56 Ų | 56 | 48 Ų | 48 | 22% | 0.22 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.5 | -30.7 | -171.3 | -51.4 | -60.7 | 0 | 0 | 0 | 113.1 | L55 Q58 A63 E64 Q104 | L55-Y60 HydrophobicContact CD2-CD1 4.25Å; Q58-Y60 HydrophobicContact CB-CE1 4.4Å; Q58-Y60 HydrophobicContact CB-CE2 4.13Å; Q58-Y60 WeakPolarHBondContact O-CD2 3.48Å; Q58-Y60 WeakPolarHBondContact O-CE2 3.34Å; Q58-Y60 PolarHBondContact O-N 3.44Å; Y60-A63 PolarHBondContact O-N 3.45Å; Y60-E64 WeakPolarHBondContact O-CB 3.46Å; Y60-E64 PolarHBondContact O-N 3.23Å; Y60-Q104 HydrophobicContact CD1-CB 3.59Å; Y60-Q104 HydrophobicContact CD1-CG 3.84Å; Y60-Q104 HydrophobicContact CD2-CB 3.49Å; Y60-Q104 VanDerWaalsContact CD2-CB 3.49Å; Y60-Q104 HydrophobicContact CD2-CG 4.39Å; Y60-Q104 HydrophobicContact CE1-CB 3.69Å; Y60-Q104 HydrophobicContact CE1-CG 3.52Å; Y60-Q104 HydrophobicContact CE2-CB 3.58Å; Y60-Q104 HydrophobicContact CE2-CG 4.11Å; Y60-Q104 HydrophobicContact CG-CB 3.48Å; Y60-Q104 VanDerWaalsContact CG-CB 3.48Å; Y60-Q104 HydrophobicContact CG-CG 4.26Å |
| 61 | A | 83.4 | Confident | 81.2 | Confident | 50 Ų | 50 | 53.1 Ų | 53.1 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D59 R65 | D59-A61 VanDerWaalsContact C-N 3.33Å; D59-A61 PolarHBondContact O-N 3.22Å; A61-R65 WeakPolarHBondContact O-CB 3.38Å; A61-R65 PolarHBondContact O-N 3.05Å |
| 62 | A | 84.3 | Confident | 78.8 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.9 | -33.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H54 D59 R65 N66 | H54-A62 HydrophobicContact CB-CB 4.33Å; H54-A62 VanDerWaalsContact ND1-CB 3.34Å; H54-A62 WeakPolarHBondContact ND1-CB 3.32Å; D59-A62 HydrophobicContact CB-CB 4.38Å; D59-A62 PolarHBondContact O-N 3.4Å; D59-A62 WeakPolarHBondContact OD1-CB 3.05Å; D59-A62 PolarHBondContact OD1-N 2.72Å; D59-A62 VanDerWaalsContact OD1-N 3.13Å; D59-A62 WeakPolarHBondContact OD2-CB 3.36Å; A62-R65 PolarHBondContact O-N 3Å; A62-N66 WeakPolarHBondContact O-CB 3.47Å; A62-N66 PolarHBondContact O-N 3.45Å; A62-N66 PolarHBondContact O-ND2 3.27Å; A62-N66 VanDerWaalsContact O-ND2 3.13Å |
| 63 | A | 87.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64 | -46.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H54 L55 D59 Y60 R65 N66 A67 A101 | H54-A63 HydrophobicContact CB-CB 3.81Å; L55-A63 HydrophobicContact CD2-CB 3.97Å; L55-A63 HydrophobicContact CG-CB 3.85Å; D59-A63 WeakPolarHBondContact O-CB 3.34Å; D59-A63 PolarHBondContact O-N 3.34Å; Y60-A63 PolarHBondContact O-N 3.45Å; A63-R65 VanDerWaalsContact C-N 3.34Å; A63-N66 PolarHBondContact O-N 3.17Å; A63-A67 WeakPolarHBondContact O-CB 3.38Å; A63-A67 PolarHBondContact O-N 3.15Å; A63-A101 HydrophobicContact CB-CB 3.91Å |
| 64 | E | 84.6 | Confident | 73.4 | Confident | 26 Ų | 26 | 70 Ų | 70 | 12% | 0.121 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.2 | -49.8 | 172.3 | -177.7 | 176.2 | -154.2 | 0 | 0 | 108.9 | Y60 N66 A67 T68 R98 A101 R102 L105 K107 | Y60-E64 WeakPolarHBondContact O-CB 3.46Å; Y60-E64 PolarHBondContact O-N 3.23Å; E64-N66 PolarHBondContact O-N 2.94Å; E64-A67 PolarHBondContact O-N 3.43Å; E64-T68 WeakPolarHBondContact CG-OG1 3.26Å; E64-T68 WeakPolarHBondContact O-CA 3.42Å; E64-T68 WeakPolarHBondContact O-CB 3.29Å; E64-T68 PolarHBondContact O-N 3.36Å; E64-T68 PolarHBondContact O-OG1 2.82Å; E64-R98 HydrophobicContact CG-CG 4.29Å; E64-A101 HydrophobicContact CB-CB 4.1Å; E64-R102 HydrophobicContact CG-CG 4.46Å; E64-R102 IonicContact OE1-CZ 3.9Å; E64-R102 IonicContact OE1-NE 3.3Å; E64-R102 PolarHBondContact OE1-NE 2.96Å; E64-R102 IonicContact OE1-NH2 3.81Å; E64-R102 PolarHBondContact OE1-NH2 3.27Å; E64-L105 HydrophobicContact CB-CD1 4.11Å; E64-L105 WeakPolarHBondContact OE2-CD1 3.48Å; E64-K107 IonicContact OE1-NZ 3.97Å; E64-K107 PolarHBondContact OE1-NZ 2.98Å; E64-K107 IonicContact OE2-NZ 3.01Å; E64-K107 PolarHBondContact OE2-NZ 3.07Å |
| 65 | R | 82.2 | Confident | 70.6 | Confident | 148 Ų | 148 | 79.5 Ų | 79.5 | 56% | 0.558 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60 | -42.9 | -179.6 | -167.7 | -175.1 | -58 | 166.4 | 3.2 | 113.4 | A61 A62 A63 A67 T68 F70 | A61-R65 WeakPolarHBondContact O-CB 3.38Å; A61-R65 PolarHBondContact O-N 3.05Å; A62-R65 PolarHBondContact O-N 3Å; A63-R65 VanDerWaalsContact C-N 3.34Å; R65-A67 VanDerWaalsContact C-N 3.34Å; R65-T68 PolarHBondContact O-N 3.46Å; R65-F70 HydrophobicContact CG-CB 4.24Å |
| 66 | N | 81.1 | Confident | 67.9 | Low | 24 Ų | 24 | 85 Ų | 85 | 13% | 0.128 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -70.2 | -31.2 | 179.5 | -79.9 | -44.5 | 0 | 0 | 0 | 113 | L50 A51 H54 A62 A63 E64 | L50-N66 HydrophobicContact CB-CB 4.44Å; A51-N66 HydrophobicContact CB-CB 3.92Å; H54-N66 PolarHBondContact CD2-ND2 3.45Å; H54-N66 PolarHBondContact NE2-ND2 3.18Å; A62-N66 WeakPolarHBondContact O-CB 3.47Å; A62-N66 PolarHBondContact O-N 3.45Å; A62-N66 PolarHBondContact O-ND2 3.27Å; A62-N66 VanDerWaalsContact O-ND2 3.13Å; A63-N66 PolarHBondContact O-N 3.17Å; E64-N66 PolarHBondContact O-N 2.94Å |
| 67 | A | 81.3 | Confident | 65 | Low | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -82 | -30.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A51 A63 E64 R65 L85 R98 | A51-A67 HydrophobicContact CB-CB 4.18Å; A63-A67 WeakPolarHBondContact O-CB 3.38Å; A63-A67 PolarHBondContact O-N 3.15Å; E64-A67 PolarHBondContact O-N 3.43Å; R65-A67 VanDerWaalsContact C-N 3.34Å; A67-L85 VanDerWaalsContact O-CD1 3.3Å; A67-L85 WeakPolarHBondContact O-CD1 3.46Å; A67-L85 VanDerWaalsContact O-CG 3.3Å; A67-L85 WeakPolarHBondContact O-CG 3.3Å; A67-R98 HydrophobicContact CB-CB 3.81Å; A67-R98 HydrophobicContact CB-CG 4.41Å |
| 68 | T | 72.6 | Confident | 62.1 | Low | 21 Ų | 21 | 88.1 Ų | 88.1 | 13% | 0.129 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -91.6 | 159.5 | -177.3 | -46.7 | 0 | 0 | 0 | 0 | 110.7 | E64 R65 L83 R98 | E64-T68 WeakPolarHBondContact CG-OG1 3.26Å; E64-T68 WeakPolarHBondContact O-CA 3.42Å; E64-T68 WeakPolarHBondContact O-CB 3.29Å; E64-T68 PolarHBondContact O-N 3.36Å; E64-T68 PolarHBondContact O-OG1 2.82Å; R65-T68 PolarHBondContact O-N 3.46Å; T68-L83 WeakPolarHBondContact O-CB 3.19Å; T68-L83 WeakPolarHBondContact O-CD1 3.19Å; T68-R98 WeakPolarHBondContact OG1-CD 3.27Å |
| 69 | C | 57.6 | Low | 59.5 | Low | 44 Ų | 44 | 89 Ų | 89 | 30% | 0.297 | 46% | 0.458 | S | S | . | . | trans | -60.9 | 142.2 | 156.3 | 170.9 | 0 | 0 | 0 | 0 | 110 | E86 | C69-E86 HydrophobicContact CB-CG 3.99Å; C69-E86 VanDerWaalsContact SG-CD 3.56Å; C69-E86 PolarHBondContact SG-OE1 3.06Å | ||
| 70 | F | 45.1 | Very low | 56.9 | Low | 130 Ų | 130 | 89 Ų | 89 | 57% | 0.57 | 46% | 0.463 | S | S | * | . | trans | -147 | 114.7 | 158.5 | -140.6 | -87.4 | 0 | 0 | 0 | 112.1 | R65 V72 L83 | R65-F70 HydrophobicContact CG-CB 4.24Å; F70-V72 HydrophobicContact CD1-CG2 3.53Å; F70-V72 HydrophobicContact CE1-CG2 3.65Å; F70-L83 HydrophobicContact CB-CD1 4.17Å; F70-L83 VanDerWaalsContact N-CD1 3.27Å | ||
| 71 | T | 34.5 | Very low | 54.4 | Low | 112 Ų | 112 | 91.5 Ų | 91.5 | 69% | 0.687 | 48% | 0.48 | S | S | * | . | trans | -83.9 | 123.9 | 152.1 | 49.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 72 | V | 37.8 | Very low | 52.5 | Low | 108 Ų | 108 | 92.9 Ų | 92.9 | 66% | 0.655 | 48% | 0.477 | S | S | * | . | trans | -98.9 | 127.1 | 156 | -175.2 | 0 | 0 | 0 | 0 | 107 | F70 S74 | F70-V72 HydrophobicContact CD1-CG2 3.53Å; F70-V72 HydrophobicContact CE1-CG2 3.65Å; V72-S74 VanDerWaalsContact C-N 3.29Å; V72-S74 PolarHBondContact O-N 3.32Å | ||
| 73 | D | 36 | Very low | 51.3 | Low | 162 Ų | 162 | 93 Ų | 93 | 87% | 0.866 | 48% | 0.476 | S | S | * | . | trans | -53.8 | 94.4 | 158.4 | -75.7 | -46.6 | 0 | 0 | 0 | 109.6 | ||||
| 74 | S | 35.2 | Very low | 50.1 | Low | 91 Ų | 91 | 93 Ų | 93 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | trans | -154.8 | 128 | 154.6 | -79.1 | 0 | 0 | 0 | 0 | 105.8 | V72 L76 | V72-S74 VanDerWaalsContact C-N 3.29Å; V72-S74 PolarHBondContact O-N 3.32Å; S74-L76 PolarHBondContact O-N 3.48Å | ||
| 75 | F | 33.8 | Very low | 49.4 | Very low | 222 Ų | 222 | 92.8 Ų | 92.8 | 97% | 0.974 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -60.9 | 23.6 | -177.1 | -168.4 | -103.7 | 0 | 0 | 0 | 114.3 | ||
| 76 | L | 34 | Very low | 48.7 | Very low | 143 Ų | 143 | 90 Ų | 90 | 75% | 0.749 | 47% | 0.469 | S | S | * | . | trans | -117.5 | 107.5 | 177.6 | -84.8 | 156.7 | 0 | 0 | 0 | 109.7 | S74 | S74-L76 PolarHBondContact O-N 3.48Š| ||
| 77 | L | 31.3 | Very low | 48.2 | Very low | 119 Ų | 119 | 90 Ų | 90 | 62% | 0.623 | 47% | 0.469 | S | S | * | . | trans | 80 | 97.2 | 158.4 | -56.5 | 167.5 | 0 | 0 | 0 | 113.5 | Y79 | L77-Y79 HydrophobicContact CB-CD2 3.83Å; L77-Y79 HydrophobicContact CB-CG 4.4Å; L77-Y79 HydrophobicContact CD1-CD2 4.49Å; L77-Y79 HydrophobicContact CD2-CD2 3.81Å; L77-Y79 HydrophobicContact CD2-CE2 3.98Å; L77-Y79 HydrophobicContact CG-CD2 4.25Å; L77-Y79 PolarHBondContact O-N 3.07Å | ||
| 78 | L | 32 | Very low | 47.9 | Very low | 173 Ų | 173 | 92.5 Ų | 92.5 | 91% | 0.906 | 48% | 0.484 | S | S | * | . | 42.7 | 1.2 | 72.3 | -158.8 | 59.9 | 0 | 0 | 0 | 115.7 | |||||
| 79 | Y | 36.2 | Very low | 48 | Very low | 160 Ų | 160 | 95.8 Ų | 95.8 | 63% | 0.627 | 51% | 0.505 | S | S | * | . | trans | -115.8 | 85.1 | 176.3 | -89.9 | -104.4 | 0 | 0 | 0 | 108.5 | L77 N81 | L77-Y79 HydrophobicContact CB-CD2 3.83Å; L77-Y79 HydrophobicContact CB-CG 4.4Å; L77-Y79 HydrophobicContact CD1-CD2 4.49Å; L77-Y79 HydrophobicContact CD2-CD2 3.81Å; L77-Y79 HydrophobicContact CD2-CE2 3.98Å; L77-Y79 HydrophobicContact CG-CD2 4.25Å; L77-Y79 PolarHBondContact O-N 3.07Å; Y79-N81 PolarHBondContact O-N 2.96Å | ||
| 80 | C | 36.1 | Very low | 48.9 | Very low | 66 Ų | 66 | 96.9 Ų | 96.9 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | trans | -55.1 | 100.1 | 173.5 | -48 | 0 | 0 | 0 | 0 | 110.5 | F82 | C80-F82 HydrophobicContact CB-CD2 4.15Å; C80-F82 HydrophobicContact CB-CE1 4.03Å; C80-F82 HydrophobicContact CB-CE2 3.54Å; C80-F82 HydrophobicContact CB-CZ 3.48Å; C80-F82 VanDerWaalsContact CB-CZ 3.48Å | ||
| 81 | N | 36.2 | Very low | 50.8 | Low | 110 Ų | 110 | 91.6 Ų | 91.6 | 59% | 0.588 | 49% | 0.486 | S | S | * | . | trans | -99.4 | 87.8 | 160.8 | -94 | -21.9 | 0 | 0 | 0 | 106.9 | R43 Y79 | R43-N81 PolarHBondContact NH2-OD1 3.45Å; Y79-N81 PolarHBondContact O-N 2.96Å | ||
| 82 | F | 44 | Very low | 53.1 | Low | 78 Ų | 78 | 87.9 Ų | 87.9 | 34% | 0.342 | 46% | 0.463 | S | S | . | . | trans | -66.9 | 129.6 | 172.7 | -53.8 | -73.5 | 0 | 0 | 0 | 109.7 | F47 C80 L87 | F47-F82 WeakPolarHBondContact CD2-O 2.87Å; F47-F82 WeakPolarHBondContact CE2-O 3.12Å; C80-F82 HydrophobicContact CB-CD2 4.15Å; C80-F82 HydrophobicContact CB-CE1 4.03Å; C80-F82 HydrophobicContact CB-CE2 3.54Å; C80-F82 HydrophobicContact CB-CZ 3.48Å; C80-F82 VanDerWaalsContact CB-CZ 3.48Å; F82-L87 HydrophobicContact CB-CD1 4.08Å; F82-L87 HydrophobicContact CB-CD2 3.34Å; F82-L87 HydrophobicContact CB-CG 3.56Å; F82-L87 HydrophobicContact CD2-CD2 4.21Å; F82-L87 HydrophobicContact CG-CD2 3.95Å; F82-L87 WeakPolarHBondContact O-CD1 3.48Å | ||
| 83 | L | 57.9 | Low | 55.5 | Low | 16 Ų | 16 | 89 Ų | 89 | 8% | 0.084 | 46% | 0.46 | C | S | . | . | trans | -93.3 | 174.9 | 179.9 | -71.6 | 153.7 | 0 | 0 | 0 | 111.6 | F47 T68 F70 L85 E86 L87 | F47-L83 HydrophobicContact CD1-CD2 3.65Å; F47-L83 HydrophobicContact CE1-CD2 3.75Å; F47-L83 HydrophobicContact CG-CD2 4.18Å; F47-L83 HydrophobicContact CZ-CD2 4.37Å; T68-L83 WeakPolarHBondContact O-CB 3.19Å; T68-L83 WeakPolarHBondContact O-CD1 3.19Å; F70-L83 HydrophobicContact CB-CD1 4.17Å; F70-L83 VanDerWaalsContact N-CD1 3.27Å; L83-L85 PolarHBondContact O-N 3.24Å; L83-E86 PolarHBondContact O-N 2.91Å; L83-L87 WeakPolarHBondContact O-CG 3.37Å; L83-L87 PolarHBondContact O-N 3.13Å; L83-L87 VanDerWaalsContact O-N 3.13Å | ||
| 84 | A | 62.3 | Low | 57.9 | Low | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -55 | -50.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F47 K48 L87 V88 A94 | F47-A84 HydrophobicContact CB-CB 3.86Å; K48-A84 HydrophobicContact CG-CB 3.99Å; A84-L87 PolarHBondContact O-N 3.39Å; A84-V88 PolarHBondContact O-N 3.2Å; A84-A94 HydrophobicContact CB-CB 4.11Å |
| 85 | L | 69.8 | Low | 60.4 | Low | 22 Ų | 22 | 77.3 Ų | 77.3 | 12% | 0.115 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -78.6 | -15 | -177 | -76.3 | 172.4 | 0 | 0 | 0 | 114.5 | A67 L83 V88 P89 D91 A94 L95 | A67-L85 VanDerWaalsContact O-CD1 3.3Å; A67-L85 WeakPolarHBondContact O-CD1 3.46Å; A67-L85 VanDerWaalsContact O-CG 3.3Å; A67-L85 WeakPolarHBondContact O-CG 3.3Å; L83-L85 PolarHBondContact O-N 3.24Å; L85-V88 CarbonylContact O-C 3.32Å; L85-P89 VanDerWaalsContact O-CA 3.31Å; L85-P89 WeakPolarHBondContact O-CA 3.32Å; L85-D91 HydrophobicContact CD2-CB 4.25Å; L85-A94 HydrophobicContact CD1-CB 4.47Å; L85-A94 HydrophobicContact CD2-CB 3.77Å; L85-A94 HydrophobicContact CG-CB 3.78Å; L85-L95 HydrophobicContact CD1-CD2 3.89Å; L85-L95 HydrophobicContact CD1-CG 4.32Å; L85-L95 HydrophobicContact CD2-CD2 4.21Å; L85-L95 HydrophobicContact CD2-CG 3.93Å |
| 86 | E | 68 | Low | 63.1 | Low | 90 Ų | 90 | 68.1 Ų | 68.1 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -77.1 | -41.2 | 168.6 | -99.8 | -173.9 | 166.9 | 0 | 0 | 111.3 | C69 L83 | C69-E86 HydrophobicContact CB-CG 3.99Å; C69-E86 VanDerWaalsContact SG-CD 3.56Å; C69-E86 PolarHBondContact SG-OE1 3.06Å; L83-E86 PolarHBondContact O-N 2.91Å |
| 87 | L | 70.6 | Confident | 65.9 | Low | 24 Ų | 24 | 63.7 Ų | 63.7 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.7 | -38.6 | 179.7 | -70.5 | 173.2 | 0 | 0 | 0 | 112 | C40 R43 A44 F47 F82 L83 A84 | C40-L87 HydrophobicContact CB-CB 4.47Å; C40-L87 HydrophobicContact CB-CD2 3.8Å; R43-L87 HydrophobicContact CB-CD1 3.46Å; R43-L87 VanDerWaalsContact CB-CD1 3.46Å; A44-L87 HydrophobicContact CB-CB 3.79Å; A44-L87 HydrophobicContact CB-CD1 4.13Å; F47-L87 HydrophobicContact CD2-CD1 4.22Å; F47-L87 HydrophobicContact CE2-CD1 4.47Å; F82-L87 HydrophobicContact CB-CD1 4.08Å; F82-L87 HydrophobicContact CB-CD2 3.34Å; F82-L87 HydrophobicContact CB-CG 3.56Å; F82-L87 HydrophobicContact CD2-CD2 4.21Å; F82-L87 HydrophobicContact CG-CD2 3.95Å; F82-L87 WeakPolarHBondContact O-CD1 3.48Å; L83-L87 WeakPolarHBondContact O-CG 3.37Å; L83-L87 PolarHBondContact O-N 3.13Å; L83-L87 VanDerWaalsContact O-N 3.13Å; A84-L87 PolarHBondContact O-N 3.39Å |
| 88 | V | 75.6 | Confident | 68.7 | Low | 52 Ų | 52 | 59.9 Ų | 59.9 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -133.5 | 91 | 174.7 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | A44 A84 L85 N90 D91 | A44-V88 HydrophobicContact CB-CB 4.5Å; A44-V88 HydrophobicContact CB-CG2 3.77Å; A84-V88 PolarHBondContact O-N 3.2Å; L85-V88 CarbonylContact O-C 3.32Å; V88-N90 PolarHBondContact O-N 3.44Å; V88-D91 HydrophobicContact CB-CB 4.27Å; V88-D91 HydrophobicContact CG1-CB 4.05Å; V88-D91 PolarHBondContact O-N 2.95Å |
| 89 | P | 75 | Confident | 71.4 | Confident | 89 Ų | 89 | 51.6 Ų | 51.6 | 58% | 0.578 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 137 | 170.9 | -25.4 | 34.7 | 0 | 0 | 0 | 110 | L85 D91 | L85-P89 VanDerWaalsContact O-CA 3.31Å; L85-P89 WeakPolarHBondContact O-CA 3.32Å; P89-D91 VanDerWaalsContact C-N 3.33Å; P89-D91 PolarHBondContact O-N 2.83Å |
| 90 | N | 76 | Confident | 74.1 | Confident | 68 Ų | 68 | 47 Ų | 47 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 20.6 | 177.3 | -51.2 | -48.7 | 0 | 0 | 0 | 116.6 | V88 P92 Y121 | V88-N90 PolarHBondContact O-N 3.44Å; N90-P92 WeakPolarHBondContact O-CD 3.47Å; N90-P92 VanDerWaalsContact O-N 3.13Å; N90-Y121 HydrophobicContact CB-CD1 4.37Å; N90-Y121 HydrophobicContact CB-CD2 3.73Å; N90-Y121 HydrophobicContact CB-CE1 4.06Å; N90-Y121 HydrophobicContact CB-CE2 3.38Å; N90-Y121 HydrophobicContact CB-CG 4.22Å; N90-Y121 VanDerWaalsContact CG-CE2 3.48Å; N90-Y121 PolarHBondContact ND2-OH 2.78Å; N90-Y121 VanDerWaalsContact ND2-OH 3.17Å |
| 91 | D | 83.7 | Confident | 76.7 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 10% | 0.096 | 22% | 0.22 | C | C | . | . | trans | -59.7 | 115.4 | 171.4 | -173.9 | -61.7 | 0 | 0 | 0 | 111 | K48 L85 V88 P89 K93 A94 L95 | K48-D91 WeakPolarHBondContact CD-OD1 3.34Å; K48-D91 WeakPolarHBondContact CD-OD2 3.43Å; K48-D91 WeakPolarHBondContact CE-OD2 3.41Å; K48-D91 IonicContact NZ-OD1 2.87Å; K48-D91 IonicContact NZ-OD2 3.7Å; K48-D91 PolarHBondContact NZ-OD2 3.12Å; L85-D91 HydrophobicContact CD2-CB 4.25Å; V88-D91 HydrophobicContact CB-CB 4.27Å; V88-D91 HydrophobicContact CG1-CB 4.05Å; V88-D91 PolarHBondContact O-N 2.95Å; P89-D91 VanDerWaalsContact C-N 3.33Å; P89-D91 PolarHBondContact O-N 2.83Å; D91-K93 VanDerWaalsContact C-N 3.27Å; D91-K93 PolarHBondContact O-N 3.38Å; D91-K93 WeakPolarHBondContact OD1-CA 3.09Å; D91-K93 WeakPolarHBondContact OD1-CB 3.22Å; D91-K93 PolarHBondContact OD1-N 3.45Å; D91-A94 HydrophobicContact CB-CB 3.98Å; D91-A94 PolarHBondContact O-N 2.84Å; D91-A94 PolarHBondContact OD1-N 3.06Å; D91-L95 WeakPolarHBondContact O-CG 3.3Å; D91-L95 PolarHBondContact O-N 3.39Å | ||
| 92 | P | 83.8 | Confident | 79.1 | Confident | 34 Ų | 34 | 40.1 Ų | 40.1 | 22% | 0.221 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.8 | -34 | -173.9 | -22.2 | 31.5 | 0 | 0 | 0 | 113.2 | N90 F96 D122 | N90-P92 WeakPolarHBondContact O-CD 3.47Å; N90-P92 VanDerWaalsContact O-N 3.13Å; P92-F96 VanDerWaalsContact O-CB 3.3Å; P92-F96 WeakPolarHBondContact O-CB 3.3Å; P92-F96 PolarHBondContact O-N 3.24Å; P92-D122 HydrophobicContact CB-CB 3.76Å; P92-D122 HydrophobicContact CG-CB 4.01Å |
| 93 | K | 88.6 | Confident | 81.1 | Confident | 132 Ų | 132 | 37.4 Ų | 37.4 | 57% | 0.574 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -73.2 | -39.1 | -179.8 | -75.2 | -179.8 | 179.4 | 174.7 | 0 | 111.2 | K48 D91 R97 | K48-K93 HydrophobicContact CD-CB 4.18Å; D91-K93 VanDerWaalsContact C-N 3.27Å; D91-K93 PolarHBondContact O-N 3.38Å; D91-K93 WeakPolarHBondContact OD1-CA 3.09Å; D91-K93 WeakPolarHBondContact OD1-CB 3.22Å; D91-K93 PolarHBondContact OD1-N 3.45Å; K93-R97 WeakPolarHBondContact O-CB 3.31Å; K93-R97 VanDerWaalsContact O-CG 3.26Å; K93-R97 WeakPolarHBondContact O-CG 3.45Å; K93-R97 PolarHBondContact O-N 3.4Å; K93-R97 VanDerWaalsContact O-N 3.07Å |
| 94 | A | 85.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67 | -45.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K48 A84 L85 D91 F96 R97 R98 | K48-A94 HydrophobicContact CD-CB 4.1Å; K48-A94 HydrophobicContact CG-CB 3.85Å; A84-A94 HydrophobicContact CB-CB 4.11Å; L85-A94 HydrophobicContact CD1-CB 4.47Å; L85-A94 HydrophobicContact CD2-CB 3.77Å; L85-A94 HydrophobicContact CG-CB 3.78Å; D91-A94 HydrophobicContact CB-CB 3.98Å; D91-A94 PolarHBondContact O-N 2.84Å; D91-A94 PolarHBondContact OD1-N 3.06Å; A94-F96 PolarHBondContact O-N 3Å; A94-R97 PolarHBondContact O-N 3.33Å; A94-R98 PolarHBondContact O-N 2.74Å |
| 95 | L | 86.8 | Confident | 83.5 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 174.5 | -74.4 | 167.3 | 0 | 0 | 0 | 111.9 | L85 D91 R97 R98 A99 V117 A118 | L85-L95 HydrophobicContact CD1-CD2 3.89Å; L85-L95 HydrophobicContact CD1-CG 4.32Å; L85-L95 HydrophobicContact CD2-CD2 4.21Å; L85-L95 HydrophobicContact CD2-CG 3.93Å; D91-L95 WeakPolarHBondContact O-CG 3.3Å; D91-L95 PolarHBondContact O-N 3.39Å; L95-R97 PolarHBondContact O-N 2.92Å; L95-R98 PolarHBondContact O-N 3.1Å; L95-A99 WeakPolarHBondContact O-CB 3.38Å; L95-A99 PolarHBondContact O-N 2.95Å; L95-V117 HydrophobicContact CD1-CB 3.92Å; L95-V117 HydrophobicContact CD1-CG1 3.48Å; L95-V117 VanDerWaalsContact CD1-CG1 3.48Å; L95-A118 HydrophobicContact CB-CB 3.8Å; L95-A118 HydrophobicContact CD1-CB 4.47Å |
| 96 | F | 92.3 | Very high | 83.6 | Confident | 30 Ų | 30 | 46.7 Ų | 46.7 | 13% | 0.132 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 179.6 | -176.6 | -129.6 | 0 | 0 | 0 | 112.6 | P92 A94 R98 A99 Q100 A118 A127 V128 F131 | P92-F96 VanDerWaalsContact O-CB 3.3Å; P92-F96 WeakPolarHBondContact O-CB 3.3Å; P92-F96 PolarHBondContact O-N 3.24Å; A94-F96 PolarHBondContact O-N 3Å; F96-R98 VanDerWaalsContact C-N 3.33Å; F96-R98 PolarHBondContact O-N 2.89Å; F96-A99 WeakPolarHBondContact O-CB 3.09Å; F96-A99 PolarHBondContact O-N 3.47Å; F96-Q100 HydrophobicContact CE2-CG 4.21Å; F96-Q100 HydrophobicContact CZ-CG 4.26Å; F96-Q100 WeakPolarHBondContact O-CG 3.43Å; F96-Q100 PolarHBondContact O-N 3.17Å; F96-A118 HydrophobicContact CB-CB 4.42Å; F96-A127 HydrophobicContact CE1-CB 4.11Å; F96-A127 HydrophobicContact CZ-CB 4.1Å; F96-V128 HydrophobicContact CB-CG2 4.24Å; F96-V128 HydrophobicContact CD1-CG2 4.37Å; F96-V128 HydrophobicContact CD2-CB 4.32Å; F96-V128 HydrophobicContact CD2-CG1 4.48Å; F96-V128 HydrophobicContact CD2-CG2 3.64Å; F96-V128 HydrophobicContact CE2-CB 4.38Å; F96-V128 HydrophobicContact CE2-CG2 4.02Å; F96-V128 HydrophobicContact CG-CG2 3.83Å; F96-F131 HydrophobicContact CE2-CB 3.64Å; F96-F131 HydrophobicContact CE2-CD1 4.04Å; F96-F131 HydrophobicContact CE2-CD2 4.32Å; F96-F131 AromaticContact CE2-CG 3.75Å; F96-F131 HydrophobicContact CE2-CG 3.75Å; F96-F131 HydrophobicContact CZ-CB 4.13Å; F96-F131 HydrophobicContact CZ-CG 4.48Å |
| 97 | R | 91.5 | Very high | 84.1 | Confident | 49 Ų | 49 | 46.4 Ų | 46.4 | 19% | 0.185 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 176 | -72.1 | 171.9 | -176.1 | 175.1 | 0.4 | 111.8 | K48 A51 L55 K93 A94 L95 Q100 A101 | K48-R97 PolarHBondContact O-NH1 2.57Å; A51-R97 HydrophobicContact CB-CB 4.43Å; L55-R97 HydrophobicContact CD1-CB 3.79Å; L55-R97 HydrophobicContact CD1-CG 3.85Å; K93-R97 WeakPolarHBondContact O-CB 3.31Å; K93-R97 VanDerWaalsContact O-CG 3.26Å; K93-R97 WeakPolarHBondContact O-CG 3.45Å; K93-R97 PolarHBondContact O-N 3.4Å; K93-R97 VanDerWaalsContact O-N 3.07Å; A94-R97 PolarHBondContact O-N 3.33Å; L95-R97 PolarHBondContact O-N 2.92Å; R97-Q100 PolarHBondContact O-N 3.4Å; R97-A101 PolarHBondContact O-N 3.44Å |
| 98 | R | 90.5 | Very high | 84.4 | Confident | 39 Ų | 39 | 46.9 Ų | 46.9 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.4 | -42.5 | 173.2 | -167.4 | 172 | 68.2 | -177.4 | 2.3 | 111.7 | E64 A67 T68 A94 L95 F96 Q100 A101 R102 D114 | E64-R98 HydrophobicContact CG-CG 4.29Å; A67-R98 HydrophobicContact CB-CB 3.81Å; A67-R98 HydrophobicContact CB-CG 4.41Å; T68-R98 WeakPolarHBondContact OG1-CD 3.27Å; A94-R98 PolarHBondContact O-N 2.74Å; L95-R98 PolarHBondContact O-N 3.1Å; F96-R98 VanDerWaalsContact C-N 3.33Å; F96-R98 PolarHBondContact O-N 2.89Å; R98-Q100 VanDerWaalsContact C-N 3.33Å; R98-Q100 PolarHBondContact O-N 3Å; R98-A101 PolarHBondContact O-N 3.21Å; R98-R102 HydrophobicContact CG-CG 4.37Å; R98-R102 WeakPolarHBondContact O-CB 3.32Å; R98-R102 WeakPolarHBondContact O-CG 3.39Å; R98-R102 PolarHBondContact O-N 3.19Å; R98-D114 WeakPolarHBondContact CG-OD2 3.33Å; R98-D114 IonicContact CZ-OD1 3.08Å; R98-D114 IonicContact CZ-OD2 2.78Å; R98-D114 VanDerWaalsContact NE-CG 3.33Å; R98-D114 IonicContact NE-OD1 2.85Å; R98-D114 PolarHBondContact NE-OD1 3.2Å; R98-D114 IonicContact NE-OD2 3.15Å; R98-D114 PolarHBondContact NE-OD2 2.81Å; R98-D114 IonicContact NH2-OD1 3.31Å; R98-D114 PolarHBondContact NH2-OD1 3.35Å; R98-D114 IonicContact NH2-OD2 3.18Å |
| 99 | A | 88.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L95 F96 R102 E103 A111 D114 A115 F131 | L95-A99 WeakPolarHBondContact O-CB 3.38Å; L95-A99 PolarHBondContact O-N 2.95Å; F96-A99 WeakPolarHBondContact O-CB 3.09Å; F96-A99 PolarHBondContact O-N 3.47Å; A99-R102 PolarHBondContact O-N 3.16Å; A99-E103 PolarHBondContact O-N 3.25Å; A99-A111 WeakPolarHBondContact CB-O 3.45Å; A99-A111 WeakPolarHBondContact O-CB 3.44Å; A99-D114 HydrophobicContact CB-CB 3.76Å; A99-A115 HydrophobicContact CB-CB 4.27Å; A99-F131 HydrophobicContact CB-CE1 3.76Å; A99-F131 HydrophobicContact CB-CZ 4.14Å; A99-F131 WeakPolarHBondContact O-CZ 3.4Å |
| 100 | Q | 93.6 | Very high | 84.2 | Confident | 63 Ų | 63 | 46.6 Ų | 46.6 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 176.2 | -69.3 | 178.2 | -52.5 | 0 | 0 | 112.1 | L55 F96 R97 R98 E103 Q104 F131 | L55-Q100 HydrophobicContact CD1-CB 4.24Å; L55-Q100 HydrophobicContact CD2-CB 3.93Å; F96-Q100 HydrophobicContact CE2-CG 4.21Å; F96-Q100 HydrophobicContact CZ-CG 4.26Å; F96-Q100 WeakPolarHBondContact O-CG 3.43Å; F96-Q100 PolarHBondContact O-N 3.17Å; R97-Q100 PolarHBondContact O-N 3.4Å; R98-Q100 VanDerWaalsContact C-N 3.33Å; R98-Q100 PolarHBondContact O-N 3Å; Q100-E103 PolarHBondContact O-N 3.14Å; Q100-Q104 WeakPolarHBondContact O-CG 3.42Å; Q100-Q104 PolarHBondContact O-N 3.17Å; Q100-F131 HydrophobicContact CB-CE2 4.43Å; Q100-F131 HydrophobicContact CG-CD2 4.17Å; Q100-F131 HydrophobicContact CG-CE2 3.9Å; Q100-F131 HydrophobicContact CG-CZ 4.43Å |
| 101 | A | 89.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L55 A63 E64 R97 R98 E103 Q104 L105 | L55-A101 HydrophobicContact CD2-CB 4.04Å; A63-A101 HydrophobicContact CB-CB 3.91Å; E64-A101 HydrophobicContact CB-CB 4.1Å; R97-A101 PolarHBondContact O-N 3.44Å; R98-A101 PolarHBondContact O-N 3.21Å; A101-E103 PolarHBondContact O-N 3.14Å; A101-Q104 PolarHBondContact O-N 3.47Å; A101-L105 WeakPolarHBondContact O-CG 3.45Å; A101-L105 PolarHBondContact O-N 3.25Å |
| 102 | R | 85.8 | Confident | 84.3 | Confident | 32 Ų | 32 | 43.7 Ų | 43.7 | 12% | 0.121 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.6 | -34.4 | -179.8 | -76.4 | 175.3 | 168.7 | -172 | -15.7 | 113.6 | E64 R98 A99 Q104 L105 N106 K107 A111 D114 | E64-R102 HydrophobicContact CG-CG 4.46Å; E64-R102 IonicContact OE1-CZ 3.9Å; E64-R102 IonicContact OE1-NE 3.3Å; E64-R102 PolarHBondContact OE1-NE 2.96Å; E64-R102 IonicContact OE1-NH2 3.81Å; E64-R102 PolarHBondContact OE1-NH2 3.27Å; R98-R102 HydrophobicContact CG-CG 4.37Å; R98-R102 WeakPolarHBondContact O-CB 3.32Å; R98-R102 WeakPolarHBondContact O-CG 3.39Å; R98-R102 PolarHBondContact O-N 3.19Å; A99-R102 PolarHBondContact O-N 3.16Å; R102-Q104 VanDerWaalsContact C-N 3.31Å; R102-Q104 PolarHBondContact O-N 3.49Å; R102-L105 CarbonylContact O-C 3.12Å; R102-L105 PolarHBondContact O-N 3Å; R102-N106 PolarHBondContact O-N 2.87Å; R102-N106 VanDerWaalsContact O-N 3.16Å; R102-K107 HydrophobicContact CB-CB 4.09Å; R102-K107 HydrophobicContact CG-CB 4.36Å; R102-K107 HydrophobicContact CG-CD 4.34Å; R102-K107 PolarHBondContact O-N 3.49Å; R102-A111 HydrophobicContact CB-CB 3.8Å; R102-D114 WeakPolarHBondContact CD-OD2 3.37Å; R102-D114 IonicContact CZ-OD2 3.25Å; R102-D114 IonicContact NE-OD2 3.08Å; R102-D114 IonicContact NH1-OD1 2.76Å; R102-D114 PolarHBondContact NH1-OD1 3.17Å; R102-D114 IonicContact NH1-OD2 2.81Å; R102-D114 PolarHBondContact NH1-OD2 3.28Å |
| 103 | E | 87.2 | Confident | 84 | Confident | 21 Ų | 21 | 47.1 Ų | 47.1 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.4 | -47.8 | 170.5 | 177.7 | -170.6 | -148.7 | 0 | 0 | 110.7 | A99 Q100 A101 L105 N106 F108 F131 L135 N138 | A99-E103 PolarHBondContact O-N 3.25Å; Q100-E103 PolarHBondContact O-N 3.14Å; A101-E103 PolarHBondContact O-N 3.14Å; E103-L105 VanDerWaalsContact C-N 3.27Å; E103-L105 PolarHBondContact O-N 3.44Å; E103-N106 WeakPolarHBondContact O-CA 3.34Å; E103-N106 PolarHBondContact O-N 3.32Å; E103-F108 HydrophobicContact CG-CE1 4.29Å; E103-F131 HydrophobicContact CB-CE2 4.14Å; E103-F131 HydrophobicContact CB-CZ 3.91Å; E103-F131 VanDerWaalsContact OE2-CE2 3.25Å; E103-F131 WeakPolarHBondContact OE2-CE2 3.4Å; E103-L135 HydrophobicContact CB-CD1 3.9Å; E103-L135 HydrophobicContact CG-CD1 3.65Å; E103-N138 PolarHBondContact OE1-ND2 3.4Å |
| 104 | Q | 88 | Confident | 83.7 | Confident | 91 Ų | 91 | 41.1 Ų | 41.1 | 43% | 0.425 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -72.1 | -23.9 | -178 | -58.9 | -60.9 | -44.5 | 0 | 0 | 112.4 | Y60 Q100 A101 R102 N106 | Y60-Q104 HydrophobicContact CD1-CB 3.59Å; Y60-Q104 HydrophobicContact CD1-CG 3.84Å; Y60-Q104 HydrophobicContact CD2-CB 3.49Å; Y60-Q104 VanDerWaalsContact CD2-CB 3.49Å; Y60-Q104 HydrophobicContact CD2-CG 4.39Å; Y60-Q104 HydrophobicContact CE1-CB 3.69Å; Y60-Q104 HydrophobicContact CE1-CG 3.52Å; Y60-Q104 HydrophobicContact CE2-CB 3.58Å; Y60-Q104 HydrophobicContact CE2-CG 4.11Å; Y60-Q104 HydrophobicContact CG-CB 3.48Å; Y60-Q104 VanDerWaalsContact CG-CB 3.48Å; Y60-Q104 HydrophobicContact CG-CG 4.26Å; Q100-Q104 WeakPolarHBondContact O-CG 3.42Å; Q100-Q104 PolarHBondContact O-N 3.17Å; A101-Q104 PolarHBondContact O-N 3.47Å; R102-Q104 VanDerWaalsContact C-N 3.31Å; R102-Q104 PolarHBondContact O-N 3.49Å; Q104-N106 VanDerWaalsContact C-N 3.25Å; Q104-N106 PolarHBondContact O-N 3.47Å |
| 105 | L | 82 | Confident | 83.6 | Confident | 58 Ų | 58 | 41.1 Ų | 41.1 | 30% | 0.304 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 8.5 | 168.8 | -64.5 | 170.8 | 0 | 0 | 0 | 113.4 | E64 A101 R102 E103 K107 | E64-L105 HydrophobicContact CB-CD1 4.11Å; E64-L105 WeakPolarHBondContact OE2-CD1 3.48Å; A101-L105 WeakPolarHBondContact O-CG 3.45Å; A101-L105 PolarHBondContact O-N 3.25Å; R102-L105 CarbonylContact O-C 3.12Å; R102-L105 PolarHBondContact O-N 3Å; E103-L105 VanDerWaalsContact C-N 3.27Å; E103-L105 PolarHBondContact O-N 3.44Å; L105-K107 HydrophobicContact CB-CG 4.41Å; L105-K107 PolarHBondContact O-N 3.23Å; L105-K107 VanDerWaalsContact O-N 3.15Å |
| 106 | N | 73.2 | Confident | 83.4 | Confident | 84 Ų | 84 | 45.9 Ų | 45.9 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 13.4 | -177.5 | -60 | -66.5 | 0 | 0 | 0 | 115.8 | R102 E103 Q104 F108 K142 | R102-N106 PolarHBondContact O-N 2.87Å; R102-N106 VanDerWaalsContact O-N 3.16Å; E103-N106 WeakPolarHBondContact O-CA 3.34Å; E103-N106 PolarHBondContact O-N 3.32Å; Q104-N106 VanDerWaalsContact C-N 3.25Å; Q104-N106 PolarHBondContact O-N 3.47Å; N106-F108 VanDerWaalsContact C-N 3.25Å; N106-F108 HydrophobicContact CB-CE2 3.83Å; N106-F108 HydrophobicContact CB-CZ 4.19Å; N106-F108 WeakPolarHBondContact O-CD2 3.39Å; N106-F108 WeakPolarHBondContact O-CE2 3.19Å; N106-F108 PolarHBondContact O-N 2.95Å; N106-F108 WeakPolarHBondContact OD1-CZ 3.37Å; N106-K142 PolarHBondContact OD1-NZ 2.9Å |
| 107 | K | 77.4 | Confident | 82.9 | Confident | 84 Ų | 84 | 46.2 Ų | 46.2 | 37% | 0.365 | 23% | 0.232 | S | C | . | . | trans | -83.6 | 64.9 | 174.8 | -60.7 | 178.7 | -175 | 171.3 | 0 | 110.5 | E64 R102 L105 G109 D110 A111 | E64-K107 IonicContact OE1-NZ 3.97Å; E64-K107 PolarHBondContact OE1-NZ 2.98Å; E64-K107 IonicContact OE2-NZ 3.01Å; E64-K107 PolarHBondContact OE2-NZ 3.07Å; R102-K107 HydrophobicContact CB-CB 4.09Å; R102-K107 HydrophobicContact CG-CB 4.36Å; R102-K107 HydrophobicContact CG-CD 4.34Å; R102-K107 PolarHBondContact O-N 3.49Å; L105-K107 HydrophobicContact CB-CG 4.41Å; L105-K107 PolarHBondContact O-N 3.23Å; L105-K107 VanDerWaalsContact O-N 3.15Å; K107-G109 PolarHBondContact O-N 2.85Å; K107-D110 HydrophobicContact CB-CB 4.24Å; K107-D110 PolarHBondContact O-N 3.38Å; K107-A111 WeakPolarHBondContact O-CB 3.41Å; K107-A111 PolarHBondContact O-N 3.45Å | ||
| 108 | F | 77.3 | Confident | 82.7 | Confident | 33 Ų | 33 | 43.9 Ų | 43.9 | 15% | 0.145 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -39.3 | -169.3 | -61.4 | -74.2 | 0 | 0 | 0 | 114.1 | E103 N106 A111 M112 L135 I139 K142 | E103-F108 HydrophobicContact CG-CE1 4.29Å; N106-F108 VanDerWaalsContact C-N 3.25Å; N106-F108 HydrophobicContact CB-CE2 3.83Å; N106-F108 HydrophobicContact CB-CZ 4.19Å; N106-F108 WeakPolarHBondContact O-CD2 3.39Å; N106-F108 WeakPolarHBondContact O-CE2 3.19Å; N106-F108 PolarHBondContact O-N 2.95Å; N106-F108 WeakPolarHBondContact OD1-CZ 3.37Å; F108-A111 PolarHBondContact O-N 3.35Å; F108-M112 WeakPolarHBondContact O-CB 3.31Å; F108-M112 PolarHBondContact O-N 3.29Å; F108-L135 HydrophobicContact CD1-CD1 3.73Å; F108-L135 HydrophobicContact CE1-CD1 4.41Å; F108-I139 HydrophobicContact CB-CD1 3.96Å; F108-I139 HydrophobicContact CB-CG1 3.75Å; F108-I139 HydrophobicContact CD1-CG1 4.13Å; F108-I139 HydrophobicContact CG-CG1 4.02Å; F108-K142 HydrophobicContact CE2-CD 3.71Å; F108-K142 HydrophobicContact CZ-CD 3.84Å; F108-K142 VanDerWaalsContact CZ-NZ 3.33Å |
| 109 | G | 68.5 | Low | 82.5 | Confident | 56 Ų | 56 | 44.1 Ų | 44.1 | 58% | 0.577 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -61 | -49.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K107 M112 Q113 | K107-G109 PolarHBondContact O-N 2.85Å; G109-M112 PolarHBondContact O-N 3.13Å; G109-Q113 PolarHBondContact O-N 2.74Å |
| 110 | D | 76.9 | Confident | 82.4 | Confident | 79 Ų | 79 | 50.8 Ų | 50.8 | 42% | 0.422 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 177 | -64.8 | -25.7 | 0 | 0 | 0 | 112.1 | K107 M112 Q113 D114 | K107-D110 HydrophobicContact CB-CB 4.24Å; K107-D110 PolarHBondContact O-N 3.38Å; D110-M112 VanDerWaalsContact C-N 3.33Å; D110-M112 PolarHBondContact O-N 2.93Å; D110-Q113 PolarHBondContact O-N 3.35Å; D110-D114 PolarHBondContact O-N 3.48Å |
| 111 | A | 79.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | A99 R102 K107 F108 A115 L135 | A99-A111 WeakPolarHBondContact CB-O 3.45Å; A99-A111 WeakPolarHBondContact O-CB 3.44Å; R102-A111 HydrophobicContact CB-CB 3.8Å; K107-A111 WeakPolarHBondContact O-CB 3.41Å; K107-A111 PolarHBondContact O-N 3.45Å; F108-A111 PolarHBondContact O-N 3.35Å; A111-A115 WeakPolarHBondContact O-CB 3.47Å; A111-A115 PolarHBondContact O-N 3.39Å; A111-L135 HydrophobicContact CB-CD1 4.33Å; A111-L135 HydrophobicContact CB-CD2 3.96Å |
| 112 | M | 82.7 | Confident | 81.8 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 13% | 0.128 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 177.1 | -177.4 | 67.1 | 85.6 | 0 | 0 | 111 | F108 G109 D110 A115 K116 M132 L135 R136 I139 | F108-M112 WeakPolarHBondContact O-CB 3.31Å; F108-M112 PolarHBondContact O-N 3.29Å; G109-M112 PolarHBondContact O-N 3.13Å; D110-M112 VanDerWaalsContact C-N 3.33Å; D110-M112 PolarHBondContact O-N 2.93Å; M112-A115 PolarHBondContact O-N 3.45Å; M112-K116 VanDerWaalsContact O-CG 3.29Å; M112-K116 WeakPolarHBondContact O-CG 3.35Å; M112-K116 PolarHBondContact O-N 2.87Å; M112-M132 HydrophobicContact SD-CE 3.93Å; M112-M132 HydrophobicContact SD-CG 4.38Å; M112-L135 HydrophobicContact CB-CD2 3.75Å; M112-L135 HydrophobicContact CE-CD2 4.21Å; M112-L135 HydrophobicContact SD-CD2 4.27Å; M112-R136 HydrophobicContact CE-CB 4.18Å; M112-I139 HydrophobicContact CE-CD1 4.13Å |
| 113 | Q | 78.5 | Confident | 81.7 | Confident | 106 Ų | 106 | 59 Ų | 59 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 177.3 | -174.3 | 62.3 | 8.1 | 0 | 0 | 111.4 | G109 D110 A115 K116 V117 | G109-Q113 PolarHBondContact O-N 2.74Å; D110-Q113 PolarHBondContact O-N 3.35Å; Q113-A115 VanDerWaalsContact C-N 3.34Å; Q113-A115 PolarHBondContact O-N 3.48Å; Q113-K116 WeakPolarHBondContact O-CB 3.5Å; Q113-K116 PolarHBondContact O-N 3.19Å; Q113-V117 WeakPolarHBondContact O-CG2 2.96Å; Q113-V117 PolarHBondContact O-N 3.27Å |
| 114 | D | 82.5 | Confident | 81.6 | Confident | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.027 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.9 | -74.3 | -18.2 | 0 | 0 | 0 | 112.5 | R98 A99 R102 D110 K116 V117 A118 | R98-D114 WeakPolarHBondContact CG-OD2 3.33Å; R98-D114 IonicContact CZ-OD1 3.08Å; R98-D114 IonicContact CZ-OD2 2.78Å; R98-D114 VanDerWaalsContact NE-CG 3.33Å; R98-D114 IonicContact NE-OD1 2.85Å; R98-D114 PolarHBondContact NE-OD1 3.2Å; R98-D114 IonicContact NE-OD2 3.15Å; R98-D114 PolarHBondContact NE-OD2 2.81Å; R98-D114 IonicContact NH2-OD1 3.31Å; R98-D114 PolarHBondContact NH2-OD1 3.35Å; R98-D114 IonicContact NH2-OD2 3.18Å; A99-D114 HydrophobicContact CB-CB 3.76Å; R102-D114 WeakPolarHBondContact CD-OD2 3.37Å; R102-D114 IonicContact CZ-OD2 3.25Å; R102-D114 IonicContact NE-OD2 3.08Å; R102-D114 IonicContact NH1-OD1 2.76Å; R102-D114 PolarHBondContact NH1-OD1 3.17Å; R102-D114 IonicContact NH1-OD2 2.81Å; R102-D114 PolarHBondContact NH1-OD2 3.28Å; D110-D114 PolarHBondContact O-N 3.48Å; D114-K116 VanDerWaalsContact C-N 3.33Å; D114-K116 PolarHBondContact O-N 2.74Å; D114-V117 PolarHBondContact O-N 3.35Å; D114-A118 WeakPolarHBondContact O-CB 3.25Å; D114-A118 PolarHBondContact O-N 2.65Å |
| 115 | A | 83.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A99 A111 M112 Q113 A118 L119 V128 F131 M132 | A99-A115 HydrophobicContact CB-CB 4.27Å; A111-A115 WeakPolarHBondContact O-CB 3.47Å; A111-A115 PolarHBondContact O-N 3.39Å; M112-A115 PolarHBondContact O-N 3.45Å; Q113-A115 VanDerWaalsContact C-N 3.34Å; Q113-A115 PolarHBondContact O-N 3.48Å; A115-A118 PolarHBondContact O-N 3.28Å; A115-L119 WeakPolarHBondContact O-CB 3.43Å; A115-L119 PolarHBondContact O-N 3.49Å; A115-V128 HydrophobicContact CB-CG1 4.18Å; A115-V128 VanDerWaalsContact O-CG1 3.27Å; A115-V128 WeakPolarHBondContact O-CG1 3.37Å; A115-F131 HydrophobicContact CB-CD1 4.02Å; A115-F131 HydrophobicContact CB-CE1 4.13Å; A115-M132 HydrophobicContact CB-CG 3.53Å; A115-M132 HydrophobicContact CB-SD 4.07Å |
| 116 | K | 81.5 | Confident | 82.1 | Confident | 107 Ų | 107 | 70.3 Ų | 70.3 | 47% | 0.465 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 173.8 | -75.1 | 171 | -179.1 | 174.5 | 0 | 111.9 | M112 Q113 D114 L119 H120 M132 | M112-K116 VanDerWaalsContact O-CG 3.29Å; M112-K116 WeakPolarHBondContact O-CG 3.35Å; M112-K116 PolarHBondContact O-N 2.87Å; Q113-K116 WeakPolarHBondContact O-CB 3.5Å; Q113-K116 PolarHBondContact O-N 3.19Å; D114-K116 VanDerWaalsContact C-N 3.33Å; D114-K116 PolarHBondContact O-N 2.74Å; K116-L119 PolarHBondContact O-N 3.31Å; K116-H120 PolarHBondContact O-N 2.99Å; K116-M132 HydrophobicContact CG-CE 3.65Å |
| 117 | V | 82.8 | Confident | 83 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 178.2 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | L95 Q113 D114 L119 H120 Y121 | L95-V117 HydrophobicContact CD1-CB 3.92Å; L95-V117 HydrophobicContact CD1-CG1 3.48Å; L95-V117 VanDerWaalsContact CD1-CG1 3.48Å; Q113-V117 WeakPolarHBondContact O-CG2 2.96Å; Q113-V117 PolarHBondContact O-N 3.27Å; D114-V117 PolarHBondContact O-N 3.35Å; V117-L119 VanDerWaalsContact C-N 3.32Å; V117-L119 PolarHBondContact O-N 3.49Å; V117-H120 WeakPolarHBondContact O-CB 3.38Å; V117-H120 PolarHBondContact O-N 3.41Å; V117-H120 VanDerWaalsContact O-N 3.13Å; V117-Y121 HydrophobicContact CG1-CD2 4Å; V117-Y121 HydrophobicContact CG1-CE2 3.85Å; V117-Y121 VanDerWaalsContact O-CD2 3.31Å; V117-Y121 WeakPolarHBondContact O-CD2 3.4Å; V117-Y121 PolarHBondContact O-N 2.96Å |
| 118 | A | 85.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.7 | -44.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L95 F96 D114 A115 H120 Y121 D122 V128 | L95-A118 HydrophobicContact CB-CB 3.8Å; L95-A118 HydrophobicContact CD1-CB 4.47Å; F96-A118 HydrophobicContact CB-CB 4.42Å; D114-A118 WeakPolarHBondContact O-CB 3.25Å; D114-A118 PolarHBondContact O-N 2.65Å; A115-A118 PolarHBondContact O-N 3.28Å; A118-H120 VanDerWaalsContact C-N 3.33Å; A118-H120 PolarHBondContact O-N 3.04Å; A118-Y121 PolarHBondContact O-N 3.37Å; A118-D122 PolarHBondContact O-N 2.89Å; A118-V128 HydrophobicContact CB-CG1 4.39Å; A118-V128 HydrophobicContact CB-CG2 4.43Å |
| 119 | L | 87.2 | Confident | 84.1 | Confident | 44 Ų | 44 | 65.7 Ų | 65.7 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.6 | -29.8 | 177.9 | -168.3 | 66.7 | 0 | 0 | 0 | 112.6 | A115 K116 V117 Y121 D122 S123 V128 V129 M132 | A115-L119 WeakPolarHBondContact O-CB 3.43Å; A115-L119 PolarHBondContact O-N 3.49Å; K116-L119 PolarHBondContact O-N 3.31Å; V117-L119 VanDerWaalsContact C-N 3.32Å; V117-L119 PolarHBondContact O-N 3.49Å; L119-Y121 VanDerWaalsContact C-N 3.31Å; L119-Y121 PolarHBondContact O-N 3.32Å; L119-D122 CarbonylContact O-C 3.57Å; L119-S123 WeakPolarHBondContact O-CA 3.24Å; L119-S123 PolarHBondContact O-N 3.16Å; L119-S123 VanDerWaalsContact O-N 3.14Å; L119-V128 HydrophobicContact CB-CG1 3.95Å; L119-V128 HydrophobicContact CD1-CB 4.38Å; L119-V128 HydrophobicContact CD1-CG1 4.37Å; L119-V129 HydrophobicContact CD1-CG2 3.66Å; L119-V129 HydrophobicContact CD2-CG2 4.12Å; L119-M132 HydrophobicContact CD2-SD 3.96Å |
| 120 | H | 85.5 | Confident | 85.1 | Confident | 141 Ų | 141 | 66.4 Ų | 66.4 | 65% | 0.653 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.4 | -40.3 | 175.1 | 179.8 | 69.6 | 0 | 0 | 0 | 111.8 | K116 V117 A118 | K116-H120 PolarHBondContact O-N 2.99Å; V117-H120 WeakPolarHBondContact O-CB 3.38Å; V117-H120 PolarHBondContact O-N 3.41Å; V117-H120 VanDerWaalsContact O-N 3.13Å; A118-H120 VanDerWaalsContact C-N 3.33Å; A118-H120 PolarHBondContact O-N 3.04Å |
| 121 | Y | 84 | Confident | 85.9 | Confident | 122 Ų | 122 | 63.2 Ų | 63.2 | 48% | 0.478 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -89.9 | -19.5 | -179.8 | -70.4 | -78.9 | 0 | 0 | 0 | 114 | N90 V117 A118 L119 | N90-Y121 HydrophobicContact CB-CD1 4.37Å; N90-Y121 HydrophobicContact CB-CD2 3.73Å; N90-Y121 HydrophobicContact CB-CE1 4.06Å; N90-Y121 HydrophobicContact CB-CE2 3.38Å; N90-Y121 HydrophobicContact CB-CG 4.22Å; N90-Y121 VanDerWaalsContact CG-CE2 3.48Å; N90-Y121 PolarHBondContact ND2-OH 2.78Å; N90-Y121 VanDerWaalsContact ND2-OH 3.17Å; V117-Y121 HydrophobicContact CG1-CD2 4Å; V117-Y121 HydrophobicContact CG1-CE2 3.85Å; V117-Y121 VanDerWaalsContact O-CD2 3.31Å; V117-Y121 WeakPolarHBondContact O-CD2 3.4Å; V117-Y121 PolarHBondContact O-N 2.96Å; A118-Y121 PolarHBondContact O-N 3.37Å; L119-Y121 VanDerWaalsContact C-N 3.31Å; L119-Y121 PolarHBondContact O-N 3.32Å |
| 122 | D | 88.1 | Confident | 86.2 | Confident | 59 Ų | 59 | 65 Ų | 65 | 32% | 0.316 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -134 | 74.1 | 174 | -174.1 | 8.6 | 0 | 0 | 0 | 110.6 | P92 A118 L119 N124 N125 | P92-D122 HydrophobicContact CB-CB 3.76Å; P92-D122 HydrophobicContact CG-CB 4.01Å; A118-D122 PolarHBondContact O-N 2.89Å; L119-D122 CarbonylContact O-C 3.57Å; D122-N124 VanDerWaalsContact C-N 3.25Å; D122-N124 PolarHBondContact O-N 3.5Å; D122-N125 HydrophobicContact CB-CB 4.29Å; D122-N125 VanDerWaalsContact O-CB 3.29Å; D122-N125 WeakPolarHBondContact O-CB 3.32Å; D122-N125 PolarHBondContact O-N 3.29Å; D122-N125 VanDerWaalsContact O-N 3.17Å; D122-N125 WeakPolarHBondContact OD2-CB 3.49Å; D122-N125 PolarHBondContact OD2-ND2 3.48Å |
| 123 | S | 84.1 | Confident | 86.4 | Confident | 87 Ų | 87 | 68.6 Ų | 68.6 | 61% | 0.608 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.1 | -168.6 | 55.1 | 0 | 0 | 0 | 0 | 115.3 | L119 | L119-S123 WeakPolarHBondContact O-CA 3.24Å; L119-S123 PolarHBondContact O-N 3.16Å; L119-S123 VanDerWaalsContact O-N 3.14Å |
| 124 | N | 85.2 | Confident | 86.8 | Confident | 145 Ų | 145 | 68.5 Ų | 68.5 | 78% | 0.775 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 8 | 179.3 | -72.8 | -29.9 | 0 | 0 | 0 | 113.2 | D122 R126 | D122-N124 VanDerWaalsContact C-N 3.25Å; D122-N124 PolarHBondContact O-N 3.5Å; N124-R126 PolarHBondContact O-N 3Å |
| 125 | N | 89.4 | Confident | 86.8 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 20% | 0.198 | 34% | 0.344 | C | S | . | . | trans | -75.3 | 93.9 | -177 | -161.1 | -40.1 | 0 | 0 | 0 | 112.8 | D122 A127 V128 V129 | D122-N125 HydrophobicContact CB-CB 4.29Å; D122-N125 VanDerWaalsContact O-CB 3.29Å; D122-N125 WeakPolarHBondContact O-CB 3.32Å; D122-N125 PolarHBondContact O-N 3.29Å; D122-N125 VanDerWaalsContact O-N 3.17Å; D122-N125 WeakPolarHBondContact OD2-CB 3.49Å; D122-N125 PolarHBondContact OD2-ND2 3.48Å; N125-A127 PolarHBondContact O-N 3.46Å; N125-A127 VanDerWaalsContact O-N 3.17Å; N125-A127 WeakPolarHBondContact OD1-CB 3.39Å; N125-A127 PolarHBondContact OD1-N 3.3Å; N125-A127 VanDerWaalsContact OD1-N 3.16Å; N125-V128 HydrophobicContact CB-CB 4.22Å; N125-V128 HydrophobicContact CB-CG2 3.87Å; N125-V128 PolarHBondContact O-N 3.42Å; N125-V128 VanDerWaalsContact O-N 3.14Å; N125-V128 PolarHBondContact OD1-N 2.94Å; N125-V129 PolarHBondContact O-N 3.02Å | ||
| 126 | R | 91 | Very high | 86.6 | Confident | 224 Ų | 224 | 75.6 Ų | 75.6 | 85% | 0.845 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -57.6 | -29.8 | 179.1 | -64.3 | -174.1 | -178.1 | -178.6 | 0.9 | 113.6 | N124 S130 | N124-R126 PolarHBondContact O-N 3Å; R126-S130 WeakPolarHBondContact O-CB 3.47Å; R126-S130 PolarHBondContact O-N 2.91Å |
| 127 | A | 91.1 | Very high | 86.3 | Confident | 51 Ų | 51 | 78 Ų | 78 | 42% | 0.421 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.6 | -41.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F96 N125 S130 F131 | F96-A127 HydrophobicContact CE1-CB 4.11Å; F96-A127 HydrophobicContact CZ-CB 4.1Å; N125-A127 PolarHBondContact O-N 3.46Å; N125-A127 VanDerWaalsContact O-N 3.17Å; N125-A127 WeakPolarHBondContact OD1-CB 3.39Å; N125-A127 PolarHBondContact OD1-N 3.3Å; N125-A127 VanDerWaalsContact OD1-N 3.16Å; A127-S130 PolarHBondContact O-N 3.31Å; A127-F131 WeakPolarHBondContact O-CB 3.38Å; A127-F131 PolarHBondContact O-N 3.49Å |
| 128 | V | 89.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 176 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | F96 A115 A118 L119 N125 S130 F131 M132 | F96-V128 HydrophobicContact CB-CG2 4.24Å; F96-V128 HydrophobicContact CD1-CG2 4.37Å; F96-V128 HydrophobicContact CD2-CB 4.32Å; F96-V128 HydrophobicContact CD2-CG1 4.48Å; F96-V128 HydrophobicContact CD2-CG2 3.64Å; F96-V128 HydrophobicContact CE2-CB 4.38Å; F96-V128 HydrophobicContact CE2-CG2 4.02Å; F96-V128 HydrophobicContact CG-CG2 3.83Å; A115-V128 HydrophobicContact CB-CG1 4.18Å; A115-V128 VanDerWaalsContact O-CG1 3.27Å; A115-V128 WeakPolarHBondContact O-CG1 3.37Å; A118-V128 HydrophobicContact CB-CG1 4.39Å; A118-V128 HydrophobicContact CB-CG2 4.43Å; L119-V128 HydrophobicContact CB-CG1 3.95Å; L119-V128 HydrophobicContact CD1-CB 4.38Å; L119-V128 HydrophobicContact CD1-CG1 4.37Å; N125-V128 HydrophobicContact CB-CB 4.22Å; N125-V128 HydrophobicContact CB-CG2 3.87Å; N125-V128 PolarHBondContact O-N 3.42Å; N125-V128 VanDerWaalsContact O-N 3.14Å; N125-V128 PolarHBondContact OD1-N 2.94Å; V128-S130 PolarHBondContact O-N 3.02Å; V128-F131 PolarHBondContact O-N 3.15Å; V128-M132 HydrophobicContact CG1-CG 4.45Å; V128-M132 HydrophobicContact CG1-SD 4.19Å; V128-M132 WeakPolarHBondContact O-CG 3.02Å; V128-M132 PolarHBondContact O-N 2.92Å |
| 129 | V | 88.9 | Confident | 84.8 | Confident | 53 Ų | 53 | 81.1 Ų | 81.1 | 32% | 0.321 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 177.4 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | L119 N125 F131 M132 Q133 | L119-V129 HydrophobicContact CD1-CG2 3.66Å; L119-V129 HydrophobicContact CD2-CG2 4.12Å; N125-V129 PolarHBondContact O-N 3.02Å; V129-F131 VanDerWaalsContact C-N 3.35Å; V129-F131 PolarHBondContact O-N 2.83Å; V129-M132 PolarHBondContact O-N 3.43Å; V129-Q133 WeakPolarHBondContact O-CG 3.29Å; V129-Q133 PolarHBondContact O-N 3.26Å |
| 130 | S | 90 | Very high | 83.4 | Confident | 70 Ų | 70 | 84.2 Ų | 84.2 | 49% | 0.49 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 177.6 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | R126 A127 V128 Q133 Q134 | R126-S130 WeakPolarHBondContact O-CB 3.47Å; R126-S130 PolarHBondContact O-N 2.91Å; A127-S130 PolarHBondContact O-N 3.31Å; V128-S130 PolarHBondContact O-N 3.02Å; S130-Q133 PolarHBondContact O-N 3.01Å; S130-Q134 PolarHBondContact O-N 3.22Å |
| 131 | F | 92.3 | Very high | 82 | Confident | 13 Ų | 13 | 84.6 Ų | 84.6 | 6% | 0.057 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.1 | -46 | 175.6 | 175.4 | -96.2 | 0 | 0 | 0 | 111.5 | F96 A99 Q100 E103 A115 A127 V128 V129 Q133 Q134 L135 | F96-F131 HydrophobicContact CE2-CB 3.64Å; F96-F131 HydrophobicContact CE2-CD1 4.04Å; F96-F131 HydrophobicContact CE2-CD2 4.32Å; F96-F131 AromaticContact CE2-CG 3.75Å; F96-F131 HydrophobicContact CE2-CG 3.75Å; F96-F131 HydrophobicContact CZ-CB 4.13Å; F96-F131 HydrophobicContact CZ-CG 4.48Å; A99-F131 HydrophobicContact CB-CE1 3.76Å; A99-F131 HydrophobicContact CB-CZ 4.14Å; A99-F131 WeakPolarHBondContact O-CZ 3.4Å; Q100-F131 HydrophobicContact CB-CE2 4.43Å; Q100-F131 HydrophobicContact CG-CD2 4.17Å; Q100-F131 HydrophobicContact CG-CE2 3.9Å; Q100-F131 HydrophobicContact CG-CZ 4.43Å; E103-F131 HydrophobicContact CB-CE2 4.14Å; E103-F131 HydrophobicContact CB-CZ 3.91Å; E103-F131 VanDerWaalsContact OE2-CE2 3.25Å; E103-F131 WeakPolarHBondContact OE2-CE2 3.4Å; A115-F131 HydrophobicContact CB-CD1 4.02Å; A115-F131 HydrophobicContact CB-CE1 4.13Å; A127-F131 WeakPolarHBondContact O-CB 3.38Å; A127-F131 PolarHBondContact O-N 3.49Å; V128-F131 PolarHBondContact O-N 3.15Å; V129-F131 VanDerWaalsContact C-N 3.35Å; V129-F131 PolarHBondContact O-N 2.83Å; F131-Q133 VanDerWaalsContact C-N 3.31Å; F131-Q133 PolarHBondContact O-N 3.38Å; F131-Q134 PolarHBondContact O-N 2.82Å; F131-L135 HydrophobicContact CE1-CD2 4.07Å; F131-L135 HydrophobicContact CZ-CD1 4.36Å; F131-L135 VanDerWaalsContact O-CB 3.24Å; F131-L135 WeakPolarHBondContact O-CB 3.39Å; F131-L135 PolarHBondContact O-N 2.91Å |
| 132 | M | 87.4 | Confident | 80.3 | Confident | 36 Ų | 36 | 83.8 Ų | 83.8 | 18% | 0.177 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 176.8 | -72.4 | 178.2 | 68.7 | 0 | 0 | 112.7 | M112 A115 K116 L119 V128 V129 R136 | M112-M132 HydrophobicContact SD-CE 3.93Å; M112-M132 HydrophobicContact SD-CG 4.38Å; A115-M132 HydrophobicContact CB-CG 3.53Å; A115-M132 HydrophobicContact CB-SD 4.07Å; K116-M132 HydrophobicContact CG-CE 3.65Å; L119-M132 HydrophobicContact CD2-SD 3.96Å; V128-M132 HydrophobicContact CG1-CG 4.45Å; V128-M132 HydrophobicContact CG1-SD 4.19Å; V128-M132 WeakPolarHBondContact O-CG 3.02Å; V128-M132 PolarHBondContact O-N 2.92Å; V129-M132 PolarHBondContact O-N 3.43Å; M132-R136 VanDerWaalsContact O-CB 3.32Å; M132-R136 WeakPolarHBondContact O-CB 3.16Å; M132-R136 PolarHBondContact O-N 2.89Å |
| 133 | Q | 86.8 | Confident | 78.1 | Confident | 102 Ų | 102 | 84.3 Ų | 84.3 | 48% | 0.477 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 175.4 | -71.1 | 177.6 | 2.8 | 0 | 0 | 111.8 | V129 S130 F131 R136 R137 | V129-Q133 WeakPolarHBondContact O-CG 3.29Å; V129-Q133 PolarHBondContact O-N 3.26Å; S130-Q133 PolarHBondContact O-N 3.01Å; F131-Q133 VanDerWaalsContact C-N 3.31Å; F131-Q133 PolarHBondContact O-N 3.38Å; Q133-R136 PolarHBondContact O-N 3.42Å; Q133-R137 WeakPolarHBondContact O-CG 3.41Å; Q133-R137 PolarHBondContact O-N 2.86Å; Q133-R137 VanDerWaalsContact O-N 3.1Å |
| 134 | Q | 86.1 | Confident | 75.9 | Confident | 105 Ų | 105 | 86.2 Ų | 86.2 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 176.5 | -176 | 170.2 | -1.9 | 0 | 0 | 111.6 | S130 F131 R136 R137 N138 | S130-Q134 PolarHBondContact O-N 3.22Å; F131-Q134 PolarHBondContact O-N 2.82Å; Q134-R136 VanDerWaalsContact C-N 3.32Å; Q134-R136 PolarHBondContact O-N 2.96Å; Q134-R137 PolarHBondContact O-N 2.84Å; Q134-R137 VanDerWaalsContact O-N 3.14Å; Q134-N138 PolarHBondContact O-N 2.66Å |
| 135 | L | 83.2 | Confident | 73.4 | Confident | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 175.9 | -168.3 | 72.1 | 0 | 0 | 0 | 110.8 | E103 F108 A111 M112 F131 R137 N138 I139 | E103-L135 HydrophobicContact CB-CD1 3.9Å; E103-L135 HydrophobicContact CG-CD1 3.65Å; F108-L135 HydrophobicContact CD1-CD1 3.73Å; F108-L135 HydrophobicContact CE1-CD1 4.41Å; A111-L135 HydrophobicContact CB-CD1 4.33Å; A111-L135 HydrophobicContact CB-CD2 3.96Å; M112-L135 HydrophobicContact CB-CD2 3.75Å; M112-L135 HydrophobicContact CE-CD2 4.21Å; M112-L135 HydrophobicContact SD-CD2 4.27Å; F131-L135 HydrophobicContact CE1-CD2 4.07Å; F131-L135 HydrophobicContact CZ-CD1 4.36Å; F131-L135 VanDerWaalsContact O-CB 3.24Å; F131-L135 WeakPolarHBondContact O-CB 3.39Å; F131-L135 PolarHBondContact O-N 2.91Å; L135-R137 PolarHBondContact O-N 3.01Å; L135-N138 PolarHBondContact O-N 3.49Å; L135-I139 HydrophobicContact CG-CD1 4.06Å; L135-I139 WeakPolarHBondContact O-CB 3.2Å; L135-I139 VanDerWaalsContact O-CG1 3.22Å; L135-I139 WeakPolarHBondContact O-CG1 3.35Å; L135-I139 PolarHBondContact O-N 2.86Å |
| 136 | R | 77.9 | Confident | 70.9 | Confident | 154 Ų | 154 | 86.7 Ų | 86.7 | 58% | 0.581 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.2 | -45.7 | 174.7 | -176.7 | -177.4 | -78.6 | -129.9 | 1.5 | 111.7 | M112 M132 Q133 Q134 N138 I139 E140 | M112-R136 HydrophobicContact CE-CB 4.18Å; M132-R136 VanDerWaalsContact O-CB 3.32Å; M132-R136 WeakPolarHBondContact O-CB 3.16Å; M132-R136 PolarHBondContact O-N 2.89Å; Q133-R136 PolarHBondContact O-N 3.42Å; Q134-R136 VanDerWaalsContact C-N 3.32Å; Q134-R136 PolarHBondContact O-N 2.96Å; R136-N138 VanDerWaalsContact C-N 3.33Å; R136-N138 PolarHBondContact O-N 3.37Å; R136-I139 PolarHBondContact O-N 2.78Å; R136-E140 HydrophobicContact CG-CG 4.46Å; R136-E140 WeakPolarHBondContact CG-OE1 3.24Å; R136-E140 WeakPolarHBondContact O-CB 3.3Å; R136-E140 VanDerWaalsContact O-CG 3.29Å; R136-E140 WeakPolarHBondContact O-CG 3.44Å; R136-E140 PolarHBondContact O-N 3.18Å |
| 137 | R | 76.1 | Confident | 68.1 | Low | 156 Ų | 156 | 80 Ų | 80 | 59% | 0.589 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64 | -36.6 | 176 | -68.5 | 174.2 | -166.8 | 171 | 5.4 | 112.4 | Q133 Q134 L135 E140 K141 | Q133-R137 WeakPolarHBondContact O-CG 3.41Å; Q133-R137 PolarHBondContact O-N 2.86Å; Q133-R137 VanDerWaalsContact O-N 3.1Å; Q134-R137 PolarHBondContact O-N 2.84Å; Q134-R137 VanDerWaalsContact O-N 3.14Å; L135-R137 PolarHBondContact O-N 3.01Å; R137-E140 PolarHBondContact O-N 3.14Å; R137-K141 WeakPolarHBondContact O-CB 3.45Å; R137-K141 WeakPolarHBondContact O-CG 3.28Å; R137-K141 PolarHBondContact O-N 3.25Å |
| 138 | N | 71.6 | Confident | 65.1 | Low | 52 Ų | 52 | 83.6 Ų | 83.6 | 28% | 0.278 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 176.8 | -75.4 | -11.2 | 0 | 0 | 0 | 111.2 | E103 Q134 L135 R136 K141 K142 | E103-N138 PolarHBondContact OE1-ND2 3.4Å; Q134-N138 PolarHBondContact O-N 2.66Å; L135-N138 PolarHBondContact O-N 3.49Å; R136-N138 VanDerWaalsContact C-N 3.33Å; R136-N138 PolarHBondContact O-N 3.37Å; N138-K141 PolarHBondContact O-N 3.11Å; N138-K142 WeakPolarHBondContact O-CB 3.44Å; N138-K142 PolarHBondContact O-N 3.44Å |
| 139 | I | 65.3 | Low | 62.2 | Low | 51 Ų | 51 | 88.5 Ų | 88.5 | 26% | 0.262 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 172.6 | -65.8 | 163.2 | 0 | 0 | 0 | 109.7 | F108 M112 L135 R136 K141 K142 V143 | F108-I139 HydrophobicContact CB-CD1 3.96Å; F108-I139 HydrophobicContact CB-CG1 3.75Å; F108-I139 HydrophobicContact CD1-CG1 4.13Å; F108-I139 HydrophobicContact CG-CG1 4.02Å; M112-I139 HydrophobicContact CE-CD1 4.13Å; L135-I139 HydrophobicContact CG-CD1 4.06Å; L135-I139 WeakPolarHBondContact O-CB 3.2Å; L135-I139 VanDerWaalsContact O-CG1 3.22Å; L135-I139 WeakPolarHBondContact O-CG1 3.35Å; L135-I139 PolarHBondContact O-N 2.86Å; R136-I139 PolarHBondContact O-N 2.78Å; I139-K141 PolarHBondContact O-N 3.34Å; I139-K142 PolarHBondContact O-N 3.38Å; I139-V143 HydrophobicContact CG2-CG2 4.13Å; I139-V143 WeakPolarHBondContact O-CB 3.34Å; I139-V143 WeakPolarHBondContact O-CG2 3.34Å; I139-V143 PolarHBondContact O-N 3.26Å |
| 140 | E | 58.6 | Low | 59.5 | Low | 109 Ų | 109 | 87.4 Ų | 87.4 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 178.5 | -76.7 | 169 | -173.6 | 0 | 0 | 112.3 | R136 R137 F144 | R136-E140 HydrophobicContact CG-CG 4.46Å; R136-E140 WeakPolarHBondContact CG-OE1 3.24Å; R136-E140 WeakPolarHBondContact O-CB 3.3Å; R136-E140 VanDerWaalsContact O-CG 3.29Å; R136-E140 WeakPolarHBondContact O-CG 3.44Å; R136-E140 PolarHBondContact O-N 3.18Å; R137-E140 PolarHBondContact O-N 3.14Å; E140-F144 VanDerWaalsContact O-CB 3.23Å; E140-F144 WeakPolarHBondContact O-CB 3.46Å; E140-F144 PolarHBondContact O-N 3.28Å |
| 141 | K | 54.9 | Low | 56.9 | Low | 150 Ų | 150 | 87 Ų | 87 | 65% | 0.652 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66 | -41.1 | 175.3 | -79.5 | -177.7 | 178.4 | -176.5 | 0 | 112.6 | R137 N138 I139 F144 L145 | R137-K141 WeakPolarHBondContact O-CB 3.45Å; R137-K141 WeakPolarHBondContact O-CG 3.28Å; R137-K141 PolarHBondContact O-N 3.25Å; N138-K141 PolarHBondContact O-N 3.11Å; I139-K141 PolarHBondContact O-N 3.34Å; K141-F144 WeakPolarHBondContact O-CB 3.38Å; K141-F144 PolarHBondContact O-N 3.39Å; K141-L145 PolarHBondContact O-N 2.89Å |
| 142 | K | 48.4 | Very low | 54.2 | Low | 105 Ų | 105 | 89.6 Ų | 89.6 | 46% | 0.457 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 175.9 | -82.9 | -167.4 | 173.2 | -169.4 | 0 | 111.1 | N106 F108 N138 I139 F144 L145 F146 | N106-K142 PolarHBondContact OD1-NZ 2.9Å; F108-K142 HydrophobicContact CE2-CD 3.71Å; F108-K142 HydrophobicContact CZ-CD 3.84Å; F108-K142 VanDerWaalsContact CZ-NZ 3.33Å; N138-K142 WeakPolarHBondContact O-CB 3.44Å; N138-K142 PolarHBondContact O-N 3.44Å; I139-K142 PolarHBondContact O-N 3.38Å; K142-F144 VanDerWaalsContact C-N 3.26Å; K142-F144 PolarHBondContact O-N 2.81Å; K142-L145 PolarHBondContact O-N 3.31Å; K142-F146 WeakPolarHBondContact O-CB 3.39Å; K142-F146 PolarHBondContact O-N 3.3Å |
| 143 | V | 42.4 | Very low | 52 | Low | 70 Ų | 70 | 89.4 Ų | 89.4 | 42% | 0.424 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.1 | -35.9 | 172 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | I139 F146 N147 | I139-V143 HydrophobicContact CG2-CG2 4.13Å; I139-V143 WeakPolarHBondContact O-CB 3.34Å; I139-V143 WeakPolarHBondContact O-CG2 3.34Å; I139-V143 PolarHBondContact O-N 3.26Å; V143-F146 PolarHBondContact O-N 2.94Å; V143-N147 WeakPolarHBondContact O-CB 3.43Å; V143-N147 PolarHBondContact O-N 3.44Å; V143-N147 PolarHBondContact O-ND2 2.91Å |
| 144 | F | 37.7 | Very low | 49.8 | Very low | 126 Ų | 126 | 86.6 Ų | 86.6 | 55% | 0.553 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -68.4 | -44.2 | 175.5 | -175 | -91.2 | 0 | 0 | 0 | 113 | E140 K141 K142 F146 N147 H148 | E140-F144 VanDerWaalsContact O-CB 3.23Å; E140-F144 WeakPolarHBondContact O-CB 3.46Å; E140-F144 PolarHBondContact O-N 3.28Å; K141-F144 WeakPolarHBondContact O-CB 3.38Å; K141-F144 PolarHBondContact O-N 3.39Å; K142-F144 VanDerWaalsContact C-N 3.26Å; K142-F144 PolarHBondContact O-N 2.81Å; F144-F146 VanDerWaalsContact C-N 3.34Å; F144-N147 PolarHBondContact O-N 3.47Å; F144-H148 AromaticContact CE1-ND1 3.96Å; F144-H148 AromaticContact CZ-CE1 3.72Å; F144-H148 AromaticContact CZ-ND1 3.97Å; F144-H148 PolarHBondContact O-N 2.86Å; F144-H148 VanDerWaalsContact O-N 3.09Å |
| 145 | L | 33.6 | Very low | 47.5 | Very low | 121 Ų | 121 | 85.9 Ų | 85.9 | 63% | 0.634 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 172.7 | -112.1 | 87.1 | 0 | 0 | 0 | 111.1 | K141 K142 N147 H148 C149 | K141-L145 PolarHBondContact O-N 2.89Å; K142-L145 PolarHBondContact O-N 3.31Å; L145-N147 VanDerWaalsContact C-N 3.33Å; L145-N147 PolarHBondContact O-N 3.27Å; L145-H148 PolarHBondContact O-N 2.92Å; L145-H148 VanDerWaalsContact O-N 3.14Å; L145-C149 PolarHBondContact O-N 3.02Å |
| 146 | F | 35.6 | Very low | 45.4 | Very low | 71 Ų | 71 | 91.2 Ų | 91.2 | 31% | 0.311 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 176.2 | -165.5 | -93.4 | 0 | 0 | 0 | 111.6 | K142 V143 F144 H148 C149 C150 S207 M208 | K142-F146 WeakPolarHBondContact O-CB 3.39Å; K142-F146 PolarHBondContact O-N 3.3Å; V143-F146 PolarHBondContact O-N 2.94Å; F144-F146 VanDerWaalsContact C-N 3.34Å; F146-H148 VanDerWaalsContact C-N 3.32Å; F146-H148 PolarHBondContact O-N 3.01Å; F146-C149 PolarHBondContact O-N 3.18Å; F146-C150 PolarHBondContact O-N 2.8Å; F146-S207 WeakPolarHBondContact CE2-O 3.37Å; F146-M208 HydrophobicContact CE2-CG 4.43Å; F146-M208 HydrophobicContact CZ-CE 4.34Å; F146-M208 HydrophobicContact CZ-CG 3.87Å |
| 147 | N | 32.5 | Very low | 43.7 | Very low | 83 Ų | 83 | 86.4 Ų | 86.4 | 44% | 0.444 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.6 | -27.1 | 174.5 | -76.7 | -19.2 | 0 | 0 | 0 | 113.1 | V143 F144 L145 S151 | V143-N147 WeakPolarHBondContact O-CB 3.43Å; V143-N147 PolarHBondContact O-N 3.44Å; V143-N147 PolarHBondContact O-ND2 2.91Å; F144-N147 PolarHBondContact O-N 3.47Å; L145-N147 VanDerWaalsContact C-N 3.33Å; L145-N147 PolarHBondContact O-N 3.27Å; N147-S151 WeakPolarHBondContact O-CB 3.5Å |
| 148 | H | 28.8 | Very low | 41.9 | Very low | 127 Ų | 127 | 82.4 Ų | 82.4 | 59% | 0.588 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -79.4 | -40.7 | 174.3 | -97.7 | 67 | 0 | 0 | 0 | 112.6 | F144 L145 F146 C150 S151 | F144-H148 AromaticContact CE1-ND1 3.96Å; F144-H148 AromaticContact CZ-CE1 3.72Å; F144-H148 AromaticContact CZ-ND1 3.97Å; F144-H148 PolarHBondContact O-N 2.86Å; F144-H148 VanDerWaalsContact O-N 3.09Å; L145-H148 PolarHBondContact O-N 2.92Å; L145-H148 VanDerWaalsContact O-N 3.14Å; F146-H148 VanDerWaalsContact C-N 3.32Å; F146-H148 PolarHBondContact O-N 3.01Å; H148-C150 VanDerWaalsContact C-N 3.34Å; H148-C150 PolarHBondContact O-N 2.6Å; H148-S151 WeakPolarHBondContact O-CB 3.22Å |
| 149 | C | 27.8 | Very low | 40.2 | Very low | 104 Ų | 104 | 81.6 Ų | 81.6 | 70% | 0.703 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -69.1 | -29.4 | -179.7 | -75.6 | 0 | 0 | 0 | 0 | 113 | L145 F146 | L145-C149 PolarHBondContact O-N 3.02Å; F146-C149 PolarHBondContact O-N 3.18Å |
| 150 | C | 32.6 | Very low | 39 | Very low | 31 Ų | 31 | 82.4 Ų | 82.4 | 21% | 0.209 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 18 | -178.2 | -63.2 | 0 | 0 | 0 | 0 | 114.7 | F146 H148 A152 | F146-C150 PolarHBondContact O-N 2.8Å; H148-C150 VanDerWaalsContact C-N 3.34Å; H148-C150 PolarHBondContact O-N 2.6Å; C150-A152 PolarHBondContact O-N 3.36Å |
| 151 | S | 35.1 | Very low | 38.2 | Very low | 62 Ų | 62 | 80.3 Ų | 80.3 | 43% | 0.434 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -13.2 | -155 | -171.9 | 0 | 0 | 0 | 0 | 119.4 | N147 H148 | N147-S151 WeakPolarHBondContact O-CB 3.5Å; H148-S151 WeakPolarHBondContact O-CB 3.22Å |
| 152 | A | 36.5 | Very low | 37.2 | Very low | 66 Ų | 66 | 78.6 Ų | 78.6 | 55% | 0.545 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -32.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115 | C150 | C150-A152 PolarHBondContact O-N 3.36Š|
| 153 | V | 40.2 | Very low | 36.6 | Very low | 33 Ų | 33 | 80.9 Ų | 80.9 | 20% | 0.2 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -39.7 | -165.8 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | F156 F157 P191 L194 | V153-F156 PolarHBondContact O-N 3.1Å; V153-F157 PolarHBondContact O-N 2.86Å; V153-P191 HydrophobicContact CG1-CB 3.36Å; V153-P191 HydrophobicContact CG1-CG 4.16Å; V153-L194 HydrophobicContact CG1-CB 4.37Å; V153-L194 HydrophobicContact CG2-CB 4.37Å; V153-L194 HydrophobicContact CG2-CD2 3.63Å |
| 154 | F | 41.8 | Very low | 36.2 | Very low | 43 Ų | 43 | 80 Ų | 80 | 19% | 0.189 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -68.6 | -38.3 | -177.9 | -145.1 | -99.2 | 0 | 0 | 0 | 112.1 | F156 F157 I158 M195 L204 M208 L216 | F154-F156 VanDerWaalsContact C-N 3.28Å; F154-F156 PolarHBondContact O-N 3.47Å; F154-F157 PolarHBondContact O-N 2.95Å; F154-I158 HydrophobicContact CD1-CD1 3.76Å; F154-I158 HydrophobicContact CD1-CG1 4.41Å; F154-I158 HydrophobicContact CE1-CD1 3.6Å; F154-I158 HydrophobicContact CE1-CG1 4.43Å; F154-I158 PolarHBondContact O-N 3.14Å; F154-M195 HydrophobicContact CD2-SD 4.39Å; F154-M195 HydrophobicContact CE2-CE 4.32Å; F154-L204 HydrophobicContact CE2-CD1 4.2Å; F154-M208 HydrophobicContact CE1-CE 4.42Å; F154-M208 HydrophobicContact CE1-SD 4.34Å; F154-M208 HydrophobicContact CE2-SD 4.38Å; F154-M208 HydrophobicContact CZ-CE 4.23Å; F154-M208 HydrophobicContact CZ-SD 3.92Å; F154-L216 HydrophobicContact CZ-CD1 4.3Å |
| 155 | L | 37.3 | Very low | 36 | Very low | 89 Ų | 89 | 79.9 Ų | 79.9 | 47% | 0.466 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.3 | -33.5 | 174.7 | -163 | 73.5 | 0 | 0 | 0 | 111.4 | F157 C159 | L155-F157 VanDerWaalsContact C-N 3.35Å; L155-C159 WeakPolarHBondContact O-CA 3.34Å; L155-C159 WeakPolarHBondContact O-CB 3.09Å; L155-C159 PolarHBondContact O-N 3.46Å |
| 156 | F | 39.8 | Very low | 35.9 | Very low | 113 Ų | 113 | 78.9 Ų | 78.9 | 50% | 0.496 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.7 | -37.2 | 176.3 | -132.6 | -85.2 | 0 | 0 | 0 | 111.5 | V153 F154 S160 | V153-F156 PolarHBondContact O-N 3.1Å; F154-F156 VanDerWaalsContact C-N 3.28Å; F154-F156 PolarHBondContact O-N 3.47Å; F156-S160 VanDerWaalsContact CD1-OG 3.25Å; F156-S160 WeakPolarHBondContact CD1-OG 3.32Å; F156-S160 WeakPolarHBondContact O-CB 3.37Å; F156-S160 PolarHBondContact O-N 2.85Å; F156-S160 PolarHBondContact O-OG 3.42Å |
| 157 | F | 40.8 | Very low | 35.7 | Very low | 53 Ų | 53 | 81.5 Ų | 81.5 | 23% | 0.232 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -67.5 | -44.6 | 178.2 | -143.7 | -93.4 | 0 | 0 | 0 | 112.1 | V153 F154 L155 I161 F188 P191 A227 | V153-F157 PolarHBondContact O-N 2.86Å; F154-F157 PolarHBondContact O-N 2.95Å; L155-F157 VanDerWaalsContact C-N 3.35Å; F157-I161 WeakPolarHBondContact O-CG1 3.46Å; F157-F188 AromaticContact CE2-CD1 3.82Å; F157-F188 HydrophobicContact CE2-CD1 3.82Å; F157-F188 AromaticContact CZ-CD1 3.75Å; F157-F188 HydrophobicContact CZ-CD1 3.75Å; F157-F188 HydrophobicContact CZ-CE1 4.21Å; F157-P191 HydrophobicContact CD2-CB 3.92Å; F157-P191 HydrophobicContact CE2-CB 4.48Å; F157-A227 HydrophobicContact CE1-CB 4.47Å; F157-A227 HydrophobicContact CZ-CB 4.48Å |
| 158 | I | 37.7 | Very low | 35.8 | Very low | 72 Ų | 72 | 82.3 Ų | 82.3 | 37% | 0.369 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -77.6 | -43.9 | 179.4 | -66.2 | -178.5 | 0 | 0 | 0 | 111.6 | F154 I161 L162 | F154-I158 HydrophobicContact CD1-CD1 3.76Å; F154-I158 HydrophobicContact CD1-CG1 4.41Å; F154-I158 HydrophobicContact CE1-CD1 3.6Å; F154-I158 HydrophobicContact CE1-CG1 4.43Å; F154-I158 PolarHBondContact O-N 3.14Å; I158-I161 PolarHBondContact O-N 3.2Å; I158-L162 HydrophobicContact CG2-CD1 3.74Å; I158-L162 PolarHBondContact O-N 3.5Å |
| 159 | C | 36.5 | Very low | 36 | Very low | 34 Ų | 34 | 83 Ų | 83 | 23% | 0.23 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -77 | -27.7 | -176.6 | -70.3 | 0 | 0 | 0 | 0 | 114 | L155 I161 L162 | L155-C159 WeakPolarHBondContact O-CA 3.34Å; L155-C159 WeakPolarHBondContact O-CB 3.09Å; L155-C159 PolarHBondContact O-N 3.46Å; C159-I161 PolarHBondContact O-N 3.21Å; C159-L162 PolarHBondContact O-N 2.93Å |
| 160 | S | 41 | Very low | 36.2 | Very low | 69 Ų | 69 | 88.8 Ų | 88.8 | 48% | 0.483 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.2 | -24.1 | 172.7 | -63.6 | 0 | 0 | 0 | 0 | 112.1 | F156 | F156-S160 VanDerWaalsContact CD1-OG 3.25Å; F156-S160 WeakPolarHBondContact CD1-OG 3.32Å; F156-S160 WeakPolarHBondContact O-CB 3.37Å; F156-S160 PolarHBondContact O-N 2.85Å; F156-S160 PolarHBondContact O-OG 3.42Å |
| 161 | I | 40.6 | Very low | 36.1 | Very low | 64 Ų | 64 | 95.1 Ų | 95.1 | 33% | 0.328 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -91.8 | -37.9 | 178.4 | -60.2 | 177.4 | 0 | 0 | 0 | 111.2 | F157 I158 C159 N163 F188 I224 | F157-I161 WeakPolarHBondContact O-CG1 3.46Å; I158-I161 PolarHBondContact O-N 3.2Å; C159-I161 PolarHBondContact O-N 3.21Å; I161-N163 VanDerWaalsContact C-N 3.31Å; I161-N163 PolarHBondContact O-N 3.42Å; I161-F188 HydrophobicContact CD1-CE1 4.18Å; I161-F188 HydrophobicContact CD1-CZ 4.46Å; I161-I224 HydrophobicContact CD1-CD1 3.81Å; I161-I224 HydrophobicContact CD1-CG1 3.88Å; I161-I224 HydrophobicContact CG2-CD1 3.85Å |
| 162 | L | 34.8 | Very low | 35.7 | Very low | 115 Ų | 115 | 100.6 Ų | 100.6 | 60% | 0.602 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 13.2 | -175.3 | -80.1 | 170.5 | 0 | 0 | 0 | 116.1 | I158 C159 C164 | I158-L162 HydrophobicContact CG2-CD1 3.74Å; I158-L162 PolarHBondContact O-N 3.5Å; C159-L162 PolarHBondContact O-N 2.93Å; L162-C164 PolarHBondContact O-N 2.76Å; L162-C164 PolarHBondContact O-SG 3.01Å |
| 163 | N | 36.3 | Very low | 35.5 | Very low | 152 Ų | 152 | 102.8 Ų | 102.8 | 81% | 0.813 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 22.9 | 173.2 | -121.8 | -0.2 | 0 | 0 | 0 | 114.6 | I161 L165 | I161-N163 VanDerWaalsContact C-N 3.31Å; I161-N163 PolarHBondContact O-N 3.42Å; N163-L165 PolarHBondContact O-N 2.74Å |
| 164 | C | 33.5 | Very low | 35 | Very low | 51 Ų | 51 | 112.1 Ų | 112.1 | 35% | 0.345 | 56% | 0.562 | S | S | . | * | trans | -84.8 | 42.1 | -175.3 | -71.1 | 0 | 0 | 0 | 0 | 112.6 | L162 P166 L167 | L162-C164 PolarHBondContact O-N 2.76Å; L162-C164 PolarHBondContact O-SG 3.01Å; C164-P166 VanDerWaalsContact C-N 3.28Å; C164-P166 VanDerWaalsContact O-N 3.17Å; C164-L167 PolarHBondContact O-N 2.9Å | ||
| 165 | L | 33 | Very low | 34.3 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 65% | 0.649 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -51.8 | -32.3 | -180 | -155.3 | 73.7 | 0 | 0 | 0 | 114.8 | N163 L167 I168 | N163-L165 PolarHBondContact O-N 2.74Å; L165-L167 VanDerWaalsContact C-N 3.29Å; L165-L167 PolarHBondContact O-N 2.88Å; L165-I168 HydrophobicContact CD1-CD1 4.46Å; L165-I168 PolarHBondContact O-N 2.69Å |
| 166 | P | 31.7 | Very low | 33.9 | Very low | 100 Ų | 100 | 119.6 Ų | 119.6 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.5 | -22.1 | -179.8 | -21.1 | 33.1 | 0 | 0 | 0 | 115 | C164 | C164-P166 VanDerWaalsContact C-N 3.28Å; C164-P166 VanDerWaalsContact O-N 3.17Å |
| 167 | L | 32.3 | Very low | 33.4 | Very low | 126 Ų | 126 | 119.8 Ų | 119.8 | 66% | 0.66 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -76.6 | -27.3 | 177.9 | -97.5 | 107.6 | 0 | 0 | 0 | 112.8 | C164 L165 L169 R170 | C164-L167 PolarHBondContact O-N 2.9Å; L165-L167 VanDerWaalsContact C-N 3.29Å; L165-L167 PolarHBondContact O-N 2.88Å; L167-L169 VanDerWaalsContact C-N 3.29Å; L167-L169 PolarHBondContact O-N 2.86Å; L167-R170 PolarHBondContact O-N 2.7Å |
| 168 | I | 34.2 | Very low | 32.8 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 51% | 0.513 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.1 | -33.6 | 179.8 | -65.7 | 172.6 | 0 | 0 | 0 | 111 | L165 R170 | L165-I168 HydrophobicContact CD1-CD1 4.46Å; L165-I168 PolarHBondContact O-N 2.69Å; I168-R170 PolarHBondContact O-N 2.89Å |
| 169 | L | 32.2 | Very low | 32.3 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 75% | 0.749 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -6.4 | -176.5 | -71.1 | 172.3 | 0 | 0 | 0 | 114.5 | L167 | L167-L169 VanDerWaalsContact C-N 3.29Å; L167-L169 PolarHBondContact O-N 2.86Å |
| 170 | R | 33.3 | Very low | 32 | Very low | 224 Ų | 224 | 130.5 Ų | 130.5 | 85% | 0.845 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -5.4 | 179.7 | -94.2 | -173.4 | 176.5 | 174.3 | 0.2 | 115.7 | L167 I168 | L167-R170 PolarHBondContact O-N 2.7Å; I168-R170 PolarHBondContact O-N 2.89Å |
| 171 | F | 29.8 | Very low | 31.5 | Very low | 165 Ų | 165 | 130.5 Ų | 130.5 | 72% | 0.724 | 67% | 0.672 | S | S | * | * | trans | -114.5 | 73.3 | -178.3 | -74.6 | -80.8 | 0 | 0 | 0 | 111.7 | ||||
| 172 | E | 27.2 | Very low | 31 | Very low | 177 Ų | 177 | 132.7 Ų | 132.7 | 83% | 0.827 | 69% | 0.688 | S | S | * | * | trans | -72.7 | 120.5 | 170 | -70.5 | -174.2 | 153.2 | 0 | 0 | 110.6 | ||||
| 173 | S | 32.8 | Very low | 30.7 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 157.6 | -12.8 | 137 | 53.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 174 | R | 28 | Very low | 30.5 | Very low | 230 Ų | 230 | 133.6 Ų | 133.6 | 87% | 0.868 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -122.6 | -4.1 | -179.5 | -88 | -174 | 174.1 | -177.1 | -1.3 | 117.9 | ||
| 175 | W | 28.8 | Very low | 30.5 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 62% | 0.617 | 70% | 0.7 | S | S | * | * | trans | -110.9 | 2.5 | -167.6 | -62.7 | 101.7 | 0 | 0 | 0 | 116.1 | V177 W178 | W175-V177 PolarHBondContact O-N 2.94Å; W175-W178 PolarHBondContact O-N 3.36Å | ||
| 176 | T | 27.9 | Very low | 30.5 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 77% | 0.767 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -7.8 | -171.2 | -7.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 177 | V | 30 | Very low | 30.6 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 72% | 0.715 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -14 | -176.2 | 179.8 | 0 | 0 | 0 | 0 | 113.2 | W175 | W175-V177 PolarHBondContact O-N 2.94Š|
| 178 | W | 27 | Very low | 30.8 | Very low | 172 Ų | 172 | 134 Ų | 134 | 65% | 0.652 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -115.4 | 5.9 | -164.1 | -75.3 | 71.5 | 0 | 0 | 0 | 116.5 | W175 T180 M183 | W175-W178 PolarHBondContact O-N 3.36Å; W178-T180 PolarHBondContact O-N 2.83Å; W178-M183 HydrophobicContact CE3-CE 3.31Å; W178-M183 HydrophobicContact CZ3-CE 3.62Å |
| 179 | T | 28.8 | Very low | 30.8 | Very low | 119 Ų | 119 | 135 Ų | 135 | 73% | 0.73 | 66% | 0.66 | S | S | * | * | trans | -95.5 | 30.3 | -178.9 | 58 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 180 | T | 29.5 | Very low | 30.9 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 56% | 0.564 | 65% | 0.646 | S | S | * | * | trans | -79.6 | 143.7 | 174.3 | 50.8 | 0 | 0 | 0 | 0 | 111.3 | W178 T182 M183 | W178-T180 PolarHBondContact O-N 2.83Å; T180-T182 PolarHBondContact O-N 3.09Å; T180-M183 PolarHBondContact O-N 3Å; T180-M183 VanDerWaalsContact O-N 3.13Å | ||
| 181 | G | 29.5 | Very low | 31.1 | Very low | 69 Ų | 69 | 123.9 Ų | 123.9 | 71% | 0.711 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -12.8 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | M183 | G181-M183 VanDerWaalsContact C-N 3.26Å; G181-M183 PolarHBondContact O-N 3.14Å |
| 182 | T | 29.7 | Very low | 31.5 | Very low | 110 Ų | 110 | 119 Ų | 119 | 68% | 0.675 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -27.2 | 175.1 | -7.4 | 0 | 0 | 0 | 0 | 112.9 | T180 | T180-T182 PolarHBondContact O-N 3.09Š|
| 183 | M | 28.8 | Very low | 32 | Very low | 57 Ų | 57 | 114.4 Ų | 114.4 | 28% | 0.281 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.8 | -26.6 | -179.6 | -87.5 | -83.9 | -148.6 | 0 | 0 | 114.1 | W178 T180 G181 K185 N186 A187 Y190 | W178-M183 HydrophobicContact CE3-CE 3.31Å; W178-M183 HydrophobicContact CZ3-CE 3.62Å; T180-M183 PolarHBondContact O-N 3Å; T180-M183 VanDerWaalsContact O-N 3.13Å; G181-M183 VanDerWaalsContact C-N 3.26Å; G181-M183 PolarHBondContact O-N 3.14Å; M183-K185 PolarHBondContact O-N 3.39Å; M183-K185 VanDerWaalsContact O-N 3.16Å; M183-N186 CarbonylContact O-C 3.57Å; M183-N186 PolarHBondContact O-N 3.28Å; M183-A187 WeakPolarHBondContact O-CA 3.12Å; M183-A187 WeakPolarHBondContact O-CB 3.38Å; M183-A187 PolarHBondContact O-N 2.94Å; M183-Y190 HydrophobicContact SD-CD2 4.35Å |
| 184 | R | 32.9 | Very low | 32.3 | Very low | 229 Ų | 229 | 113.1 Ų | 113.1 | 86% | 0.864 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.5 | -34.5 | -177.9 | -90.8 | -172.9 | 179.9 | -179.7 | 0.7 | 113.4 | ||
| 185 | K | 34.1 | Very low | 33 | Very low | 198 Ų | 198 | 104.1 Ų | 104.1 | 86% | 0.861 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -78.9 | -26.5 | 177.1 | -77.4 | -174.9 | 176.2 | 180 | 0 | 113.1 | M183 | M183-K185 PolarHBondContact O-N 3.39Å; M183-K185 VanDerWaalsContact O-N 3.16Å |
| 186 | N | 31.6 | Very low | 33.7 | Very low | 73 Ų | 73 | 98.7 Ų | 98.7 | 39% | 0.39 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -109.5 | 6.8 | -175.4 | -68 | -20.3 | 0 | 0 | 0 | 113.7 | M183 F188 K189 Y190 | M183-N186 CarbonylContact O-C 3.57Å; M183-N186 PolarHBondContact O-N 3.28Å; N186-F188 PolarHBondContact O-N 3.42Å; N186-F188 VanDerWaalsContact O-N 3.09Å; N186-K189 PolarHBondContact O-N 3.09Å; N186-Y190 HydrophobicContact CB-CD2 4.2Å; N186-Y190 HydrophobicContact CB-CE2 4.32Å; N186-Y190 PolarHBondContact O-N 3.22Å |
| 187 | A | 34.6 | Very low | 34.7 | Very low | 26 Ų | 26 | 95.7 Ų | 95.7 | 22% | 0.215 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | M183 P191 | M183-A187 WeakPolarHBondContact O-CA 3.12Å; M183-A187 WeakPolarHBondContact O-CB 3.38Å; M183-A187 PolarHBondContact O-N 2.94Å; A187-P191 WeakPolarHBondContact O-CD 3.47Å; A187-P191 WeakPolarHBondContact O-CG 3.33Å |
| 188 | F | 36.3 | Very low | 35.9 | Very low | 112 Ų | 112 | 95.5 Ų | 95.5 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -30.1 | 172.6 | -71.8 | -81.2 | 0 | 0 | 0 | 112.9 | F157 I161 N186 F192 | F157-F188 AromaticContact CE2-CD1 3.82Å; F157-F188 HydrophobicContact CE2-CD1 3.82Å; F157-F188 AromaticContact CZ-CD1 3.75Å; F157-F188 HydrophobicContact CZ-CD1 3.75Å; F157-F188 HydrophobicContact CZ-CE1 4.21Å; I161-F188 HydrophobicContact CD1-CE1 4.18Å; I161-F188 HydrophobicContact CD1-CZ 4.46Å; N186-F188 PolarHBondContact O-N 3.42Å; N186-F188 VanDerWaalsContact O-N 3.09Å; F188-F192 WeakPolarHBondContact O-CB 3.21Å; F188-F192 PolarHBondContact O-N 3.37Å |
| 189 | K | 34.3 | Very low | 37.1 | Very low | 122 Ų | 122 | 91.5 Ų | 91.5 | 53% | 0.53 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -75 | -48 | -170.2 | -159.8 | -177.4 | -176 | -163.3 | 0 | 111.9 | N186 F192 E193 | N186-K189 PolarHBondContact O-N 3.09Å; K189-F192 PolarHBondContact O-N 3.31Å; K189-E193 WeakPolarHBondContact CE-OE1 3.39Å; K189-E193 IonicContact NZ-OE1 2.73Å; K189-E193 WeakPolarHBondContact O-CB 3.26Å; K189-E193 WeakPolarHBondContact O-CG 2.99Å; K189-E193 PolarHBondContact O-N 2.76Å |
| 190 | Y | 34.3 | Very low | 38.3 | Very low | 115 Ų | 115 | 90.1 Ų | 90.1 | 45% | 0.451 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.7 | -46 | -174.9 | -84.5 | -81.6 | 0 | 0 | 0 | 114.3 | M183 N186 F192 E193 L194 | M183-Y190 HydrophobicContact SD-CD2 4.35Å; N186-Y190 HydrophobicContact CB-CD2 4.2Å; N186-Y190 HydrophobicContact CB-CE2 4.32Å; N186-Y190 PolarHBondContact O-N 3.22Å; Y190-F192 VanDerWaalsContact C-N 3.3Å; Y190-F192 PolarHBondContact O-N 2.87Å; Y190-E193 PolarHBondContact O-N 2.86Å; Y190-L194 WeakPolarHBondContact O-CD1 3.5Å; Y190-L194 PolarHBondContact O-N 3.13Å |
| 191 | P | 37.1 | Very low | 39.6 | Very low | 19 Ų | 19 | 85.9 Ų | 85.9 | 12% | 0.123 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.8 | -40.4 | 172.6 | -31.2 | 40.9 | 0 | 0 | 0 | 113.5 | V153 F157 A187 L194 M195 | V153-P191 HydrophobicContact CG1-CB 3.36Å; V153-P191 HydrophobicContact CG1-CG 4.16Å; F157-P191 HydrophobicContact CD2-CB 3.92Å; F157-P191 HydrophobicContact CE2-CB 4.48Å; A187-P191 WeakPolarHBondContact O-CD 3.47Å; A187-P191 WeakPolarHBondContact O-CG 3.33Å; P191-L194 PolarHBondContact O-N 3.3Å; P191-M195 PolarHBondContact O-N 2.82Å; P191-M195 VanDerWaalsContact O-N 3.16Å |
| 192 | F | 38.1 | Very low | 40.9 | Very low | 61 Ų | 61 | 85.4 Ų | 85.4 | 27% | 0.268 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.2 | -36.2 | 179.5 | -169.2 | -97.7 | 0 | 0 | 0 | 111.8 | F188 K189 Y190 T196 L230 | F188-F192 WeakPolarHBondContact O-CB 3.21Å; F188-F192 PolarHBondContact O-N 3.37Å; K189-F192 PolarHBondContact O-N 3.31Å; Y190-F192 VanDerWaalsContact C-N 3.3Å; Y190-F192 PolarHBondContact O-N 2.87Å; F192-T196 WeakPolarHBondContact O-CG2 3.31Å; F192-L230 HydrophobicContact CE2-CB 4.5Å; F192-L230 HydrophobicContact CZ-CB 4.26Å; F192-L230 HydrophobicContact CZ-CD1 4.29Å |
| 193 | E | 37.5 | Very low | 42.2 | Very low | 82 Ų | 82 | 85.9 Ų | 85.9 | 38% | 0.383 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.2 | -35.9 | 168.5 | -81.1 | 175.1 | 179.1 | 0 | 0 | 111.6 | K189 Y190 M195 T196 | K189-E193 WeakPolarHBondContact CE-OE1 3.39Å; K189-E193 IonicContact NZ-OE1 2.73Å; K189-E193 WeakPolarHBondContact O-CB 3.26Å; K189-E193 WeakPolarHBondContact O-CG 2.99Å; K189-E193 PolarHBondContact O-N 2.76Å; Y190-E193 PolarHBondContact O-N 2.86Å; E193-M195 PolarHBondContact O-N 3.4Å; E193-T196 VanDerWaalsContact O-CB 3.25Å; E193-T196 WeakPolarHBondContact O-CB 3.5Å; E193-T196 PolarHBondContact O-N 2.97Å; E193-T196 PolarHBondContact O-OG1 3.21Å |
| 194 | L | 39.8 | Very low | 43.5 | Very low | 83 Ų | 83 | 83.8 Ų | 83.8 | 44% | 0.435 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 176.8 | -106.5 | 94.2 | 0 | 0 | 0 | 112.6 | V153 Y190 P191 T196 T197 | V153-L194 HydrophobicContact CG1-CB 4.37Å; V153-L194 HydrophobicContact CG2-CB 4.37Å; V153-L194 HydrophobicContact CG2-CD2 3.63Å; Y190-L194 WeakPolarHBondContact O-CD1 3.5Å; Y190-L194 PolarHBondContact O-N 3.13Å; P191-L194 PolarHBondContact O-N 3.3Å; L194-T196 PolarHBondContact O-N 3.44Å; L194-T197 PolarHBondContact O-OG1 3.45Å |
| 195 | M | 41.9 | Very low | 44.9 | Very low | 41 Ų | 41 | 73.6 Ų | 73.6 | 20% | 0.202 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 2 | 172.2 | -61.7 | -127.9 | -61.4 | 0 | 0 | 113.7 | F154 P191 E193 T197 L204 L231 | F154-M195 HydrophobicContact CD2-SD 4.39Å; F154-M195 HydrophobicContact CE2-CE 4.32Å; P191-M195 PolarHBondContact O-N 2.82Å; P191-M195 VanDerWaalsContact O-N 3.16Å; E193-M195 PolarHBondContact O-N 3.4Å; M195-T197 VanDerWaalsContact C-N 3.33Å; M195-L204 HydrophobicContact CE-CD2 4.08Å; M195-L204 HydrophobicContact SD-CD1 4.49Å; M195-L204 HydrophobicContact SD-CD2 4.15Å; M195-L231 HydrophobicContact CE-CD1 3.39Å; M195-L231 HydrophobicContact CE-CD2 3.81Å; M195-L231 HydrophobicContact CE-CG 4.22Å |
| 196 | T | 44.1 | Very low | 46.2 | Very low | 49 Ų | 49 | 70.3 Ų | 70.3 | 30% | 0.301 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -15.4 | 175 | 64 | 0 | 0 | 0 | 0 | 113.8 | F192 E193 L194 R234 | F192-T196 WeakPolarHBondContact O-CG2 3.31Å; E193-T196 VanDerWaalsContact O-CB 3.25Å; E193-T196 WeakPolarHBondContact O-CB 3.5Å; E193-T196 PolarHBondContact O-N 2.97Å; E193-T196 PolarHBondContact O-OG1 3.21Å; L194-T196 PolarHBondContact O-N 3.44Å; T196-R234 VanDerWaalsContact CG2-NH1 3.27Å |
| 197 | T | 48.4 | Very low | 47.3 | Very low | 63 Ų | 63 | 69 Ų | 69 | 39% | 0.387 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -85 | 129.7 | -178.6 | 56.2 | 0 | 0 | 0 | 0 | 109.9 | L194 M195 P199 H200 L201 | L194-T197 PolarHBondContact O-OG1 3.45Å; M195-T197 VanDerWaalsContact C-N 3.33Å; T197-P199 VanDerWaalsContact C-N 3.33Å; T197-H200 PolarHBondContact O-N 3.16Å; T197-H200 VanDerWaalsContact O-N 3.1Å; T197-H200 PolarHBondContact OG1-CE1 3.27Å; T197-H200 PolarHBondContact OG1-ND1 3.17Å; T197-L201 PolarHBondContact O-N 3.07Å |
| 198 | E | 54.6 | Low | 48.4 | Very low | 114 Ų | 114 | 68.6 Ų | 68.6 | 53% | 0.533 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -41.3 | -47.3 | 178.5 | -167.3 | -171.7 | 165.9 | 0 | 0 | 114.6 | H200 L201 S202 G242 | E198-H200 VanDerWaalsContact C-N 3.34Å; E198-H200 PolarHBondContact O-N 3.36Å; E198-L201 PolarHBondContact O-N 2.9Å; E198-S202 PolarHBondContact O-N 3.08Å; E198-G242 VanDerWaalsContact CD-O 3.27Å |
| 199 | P | 52.2 | Low | 49.9 | Very low | 87 Ų | 87 | 68.9 Ų | 68.9 | 57% | 0.565 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.7 | -35.8 | -178 | 21.3 | -33.8 | 0 | 0 | 0 | 114 | T197 S202 E203 | T197-P199 VanDerWaalsContact C-N 3.33Å; P199-S202 PolarHBondContact O-N 2.9Å; P199-E203 PolarHBondContact O-N 3.48Å; P199-E203 VanDerWaalsContact O-N 3.11Å |
| 200 | H | 54.7 | Low | 51.8 | Low | 90 Ų | 90 | 64 Ų | 64 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -75.9 | -31.4 | -176.9 | -66.3 | 86.9 | 0 | 0 | 0 | 112.4 | T197 E198 L204 | T197-H200 PolarHBondContact O-N 3.16Å; T197-H200 VanDerWaalsContact O-N 3.1Å; T197-H200 PolarHBondContact OG1-CE1 3.27Å; T197-H200 PolarHBondContact OG1-ND1 3.17Å; E198-H200 VanDerWaalsContact C-N 3.34Å; E198-H200 PolarHBondContact O-N 3.36Å; H200-L204 WeakPolarHBondContact O-CB 3.33Å; H200-L204 PolarHBondContact O-N 2.88Å |
| 201 | L | 56.2 | Low | 53.8 | Low | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72.7 | -35 | 175.8 | -162.6 | 73.1 | 0 | 0 | 0 | 111.3 | T197 E198 L204 L205 L231 R234 V238 | T197-L201 PolarHBondContact O-N 3.07Å; E198-L201 PolarHBondContact O-N 2.9Å; L201-L204 HydrophobicContact CD1-CD2 3.97Å; L201-L204 WeakPolarHBondContact O-CB 3.48Å; L201-L204 PolarHBondContact O-N 3.01Å; L201-L205 WeakPolarHBondContact O-CG 3.35Å; L201-L205 PolarHBondContact O-N 3.39Å; L201-L231 HydrophobicContact CD1-CD1 3.72Å; L201-R234 HydrophobicContact CD2-CB 4.34Å; L201-V238 HydrophobicContact CD2-CB 3.87Å; L201-V238 HydrophobicContact CD2-CG1 4.48Å; L201-V238 HydrophobicContact CD2-CG2 3.47Å; L201-V238 VanDerWaalsContact CD2-CG2 3.47Å |
| 202 | S | 58.7 | Low | 55.3 | Low | 59 Ų | 59 | 66.8 Ų | 66.8 | 41% | 0.413 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 171.2 | -164.6 | 0 | 0 | 0 | 0 | 110.8 | E198 P199 L204 L205 D206 | E198-S202 PolarHBondContact O-N 3.08Å; P199-S202 PolarHBondContact O-N 2.9Å; S202-L204 VanDerWaalsContact C-N 3.27Å; S202-L204 PolarHBondContact O-N 3.49Å; S202-L205 PolarHBondContact O-N 3.25Å; S202-L205 VanDerWaalsContact O-N 3.12Å; S202-D206 PolarHBondContact O-N 2.82Å |
| 203 | E | 56.8 | Low | 56.8 | Low | 120 Ų | 120 | 64 Ų | 64 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.4 | -34.4 | 177.4 | -168.5 | 173.9 | -164 | 0 | 0 | 112.3 | P199 D206 S207 | P199-E203 PolarHBondContact O-N 3.48Å; P199-E203 VanDerWaalsContact O-N 3.11Å; E203-D206 PolarHBondContact O-N 3.32Å; E203-S207 WeakPolarHBondContact O-CB 3.46Å; E203-S207 PolarHBondContact O-N 2.9Å; E203-S207 PolarHBondContact O-OG 3.39Å |
| 204 | L | 56.2 | Low | 58.8 | Low | 12 Ų | 12 | 60 Ų | 60 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 172.8 | -170.6 | 76.4 | 0 | 0 | 0 | 111.9 | F154 M195 H200 L201 S202 D206 S207 M208 M213 L231 | F154-L204 HydrophobicContact CE2-CD1 4.2Å; M195-L204 HydrophobicContact CE-CD2 4.08Å; M195-L204 HydrophobicContact SD-CD1 4.49Å; M195-L204 HydrophobicContact SD-CD2 4.15Å; H200-L204 WeakPolarHBondContact O-CB 3.33Å; H200-L204 PolarHBondContact O-N 2.88Å; L201-L204 HydrophobicContact CD1-CD2 3.97Å; L201-L204 WeakPolarHBondContact O-CB 3.48Å; L201-L204 PolarHBondContact O-N 3.01Å; S202-L204 VanDerWaalsContact C-N 3.27Å; S202-L204 PolarHBondContact O-N 3.49Å; L204-D206 VanDerWaalsContact C-N 3.29Å; L204-D206 PolarHBondContact O-N 3.09Å; L204-S207 WeakPolarHBondContact CA-OG 3.04Å; L204-S207 PolarHBondContact O-N 3.29Å; L204-S207 PolarHBondContact O-OG 3.26Å; L204-M208 HydrophobicContact CD1-CG 3.86Å; L204-M208 HydrophobicContact CD1-SD 3.38Å; L204-M208 WeakPolarHBondContact CD1-SD 3.38Å; L204-M208 HydrophobicContact CG-CG 4.32Å; L204-M208 HydrophobicContact CG-SD 4.1Å; L204-M208 WeakPolarHBondContact O-CB 3.49Å; L204-M208 PolarHBondContact O-N 3.05Å; L204-M213 HydrophobicContact CD2-CE 3.99Å; L204-M213 HydrophobicContact CD2-SD 3.6Å; L204-M213 VanDerWaalsContact CD2-SD 3.6Å; L204-M213 HydrophobicContact CG-CE 4.37Å; L204-M213 HydrophobicContact CG-SD 3.89Å; L204-L231 HydrophobicContact CD2-CD1 4.17Å; L204-L231 HydrophobicContact CD2-CD2 4.29Å |
| 205 | L | 61.7 | Low | 60.6 | Low | 15 Ų | 15 | 57.5 Ų | 57.5 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.2 | -32.8 | 178.7 | -72.4 | 163.5 | 0 | 0 | 0 | 112 | L201 S202 M210 M213 C235 L239 | L201-L205 WeakPolarHBondContact O-CG 3.35Å; L201-L205 PolarHBondContact O-N 3.39Å; S202-L205 PolarHBondContact O-N 3.25Å; S202-L205 VanDerWaalsContact O-N 3.12Å; L205-M210 HydrophobicContact CD2-CE 4.2Å; L205-M213 HydrophobicContact CD2-CE 3.79Å; L205-C235 HydrophobicContact CD2-CB 4.35Å; L205-L239 HydrophobicContact CD1-CD2 3.85Å; L205-L239 HydrophobicContact CD1-CG 4.14Å |
| 206 | D | 61.8 | Low | 62.2 | Low | 129 Ų | 129 | 58 Ų | 58 | 69% | 0.69 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -76.8 | -26.3 | 176.1 | -67.6 | -30 | 0 | 0 | 0 | 112.8 | S202 E203 L204 | S202-D206 PolarHBondContact O-N 2.82Å; E203-D206 PolarHBondContact O-N 3.32Å; L204-D206 VanDerWaalsContact C-N 3.29Å; L204-D206 PolarHBondContact O-N 3.09Å |
| 207 | S | 54.8 | Low | 63.9 | Low | 46 Ų | 46 | 55.7 Ų | 55.7 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -99 | -29.8 | -174.9 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | F146 E203 L204 | F146-S207 WeakPolarHBondContact CE2-O 3.37Å; E203-S207 WeakPolarHBondContact O-CB 3.46Å; E203-S207 PolarHBondContact O-N 2.9Å; E203-S207 PolarHBondContact O-OG 3.39Å; L204-S207 WeakPolarHBondContact CA-OG 3.04Å; L204-S207 PolarHBondContact O-N 3.29Å; L204-S207 PolarHBondContact O-OG 3.26Å |
| 208 | M | 57.6 | Low | 65.6 | Low | 18 Ų | 18 | 56.1 Ų | 56.1 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -105.6 | 134.4 | -175.6 | -64.2 | -161.8 | 59.9 | 0 | 0 | 112.9 | F146 F154 L204 M210 L212 M213 | F146-M208 HydrophobicContact CE2-CG 4.43Å; F146-M208 HydrophobicContact CZ-CE 4.34Å; F146-M208 HydrophobicContact CZ-CG 3.87Å; F154-M208 HydrophobicContact CE1-CE 4.42Å; F154-M208 HydrophobicContact CE1-SD 4.34Å; F154-M208 HydrophobicContact CE2-SD 4.38Å; F154-M208 HydrophobicContact CZ-CE 4.23Å; F154-M208 HydrophobicContact CZ-SD 3.92Å; L204-M208 HydrophobicContact CD1-CG 3.86Å; L204-M208 HydrophobicContact CD1-SD 3.38Å; L204-M208 WeakPolarHBondContact CD1-SD 3.38Å; L204-M208 HydrophobicContact CG-CG 4.32Å; L204-M208 HydrophobicContact CG-SD 4.1Å; L204-M208 WeakPolarHBondContact O-CB 3.49Å; L204-M208 PolarHBondContact O-N 3.05Å; M208-M210 PolarHBondContact O-N 3.08Å; M208-L212 HydrophobicContact CE-CB 4.43Å; M208-M213 HydrophobicContact CB-CG 3.75Å; M208-M213 HydrophobicContact CB-SD 4.27Å; M208-M213 HydrophobicContact CE-CG 4.13Å; M208-M213 HydrophobicContact SD-CG 4.29Å; M208-M213 HydrophobicContact SD-SD 4.1Å |
| 209 | E | 66.6 | Low | 66.5 | Low | 117 Ų | 117 | 53.7 Ų | 53.7 | 55% | 0.547 | 29% | 0.292 | S | S | . | . | trans | -63.7 | 134.4 | 169.9 | -65.8 | 178.6 | 176.6 | 0 | 0 | 110.8 | Q211 L212 M213 | E209-Q211 PolarHBondContact O-N 3.06Å; E209-L212 HydrophobicContact CB-CD1 4.24Å; E209-L212 HydrophobicContact CB-CG 4.36Å; E209-L212 WeakPolarHBondContact O-CB 3.22Å; E209-L212 PolarHBondContact O-N 2.72Å; E209-M213 PolarHBondContact O-N 3.27Å; E209-M213 VanDerWaalsContact O-N 3.11Å | ||
| 210 | M | 74.7 | Confident | 67.3 | Low | 20 Ų | 20 | 55.6 Ų | 55.6 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.1 | -36.5 | -178.3 | -158.7 | 67.2 | 67.6 | 0 | 0 | 112.4 | L205 M208 L212 M213 V214 L261 D264 L265 | L205-M210 HydrophobicContact CD2-CE 4.2Å; M208-M210 PolarHBondContact O-N 3.08Å; M210-L212 PolarHBondContact O-N 2.89Å; M210-M213 WeakPolarHBondContact O-CB 3.29Å; M210-M213 PolarHBondContact O-N 3.43Å; M210-V214 WeakPolarHBondContact O-CG2 3.47Å; M210-V214 PolarHBondContact O-N 3.02Å; M210-L261 HydrophobicContact CE-CB 4.14Å; M210-L261 HydrophobicContact CE-CD2 4.03Å; M210-D264 HydrophobicContact CB-CB 4.37Å; M210-D264 HydrophobicContact CG-CB 4.26Å; M210-L265 HydrophobicContact CG-CB 4.22Å; M210-L265 HydrophobicContact CG-CD1 4.19Å; M210-L265 HydrophobicContact SD-CB 4.01Å; M210-L265 HydrophobicContact SD-CD1 3.6Å; M210-L265 VanDerWaalsContact SD-CD1 3.6Å; M210-L265 HydrophobicContact SD-CG 4.36Å |
| 211 | Q | 75.6 | Confident | 68.1 | Low | 101 Ų | 101 | 53 Ų | 53 | 47% | 0.472 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 176.2 | -175.7 | 178.7 | 13.6 | 0 | 0 | 112.5 | E209 G215 E268 | E209-Q211 PolarHBondContact O-N 3.06Å; Q211-G215 WeakPolarHBondContact O-CA 3.1Å; Q211-G215 PolarHBondContact O-N 3.26Å; Q211-E268 HydrophobicContact CB-CG 4.35Å |
| 212 | L | 70 | Confident | 68.6 | Low | 91 Ų | 91 | 54 Ų | 54 | 48% | 0.476 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.7 | -41.4 | 177.1 | -69.7 | 172.3 | 0 | 0 | 0 | 110.9 | M208 E209 M210 G215 L216 | M208-L212 HydrophobicContact CE-CB 4.43Å; E209-L212 HydrophobicContact CB-CD1 4.24Å; E209-L212 HydrophobicContact CB-CG 4.36Å; E209-L212 WeakPolarHBondContact O-CB 3.22Å; E209-L212 PolarHBondContact O-N 2.72Å; M210-L212 PolarHBondContact O-N 2.89Å; L212-G215 PolarHBondContact O-N 3.4Å; L212-L216 PolarHBondContact O-N 2.71Å |
| 213 | M | 68.8 | Low | 69.3 | Low | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.6 | -50.2 | 176.9 | -75.6 | -104.8 | -77.5 | 0 | 0 | 112 | L204 L205 M208 E209 M210 G215 L216 L231 L232 | L204-M213 HydrophobicContact CD2-CE 3.99Å; L204-M213 HydrophobicContact CD2-SD 3.6Å; L204-M213 VanDerWaalsContact CD2-SD 3.6Å; L204-M213 HydrophobicContact CG-CE 4.37Å; L204-M213 HydrophobicContact CG-SD 3.89Å; L205-M213 HydrophobicContact CD2-CE 3.79Å; M208-M213 HydrophobicContact CB-CG 3.75Å; M208-M213 HydrophobicContact CB-SD 4.27Å; M208-M213 HydrophobicContact CE-CG 4.13Å; M208-M213 HydrophobicContact SD-CG 4.29Å; M208-M213 HydrophobicContact SD-SD 4.1Å; E209-M213 PolarHBondContact O-N 3.27Å; E209-M213 VanDerWaalsContact O-N 3.11Å; M210-M213 WeakPolarHBondContact O-CB 3.29Å; M210-M213 PolarHBondContact O-N 3.43Å; M213-G215 VanDerWaalsContact C-N 3.33Å; M213-L216 WeakPolarHBondContact O-CB 3.17Å; M213-L216 PolarHBondContact O-N 3.33Å; M213-L231 HydrophobicContact SD-CD2 4.48Å; M213-L232 HydrophobicContact CB-CD2 4.31Å |
| 214 | V | 79.4 | Confident | 69.9 | Low | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.7 | -35.7 | 176.9 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | M210 L216 M217 L232 L265 E268 L269 L272 | M210-V214 WeakPolarHBondContact O-CG2 3.47Å; M210-V214 PolarHBondContact O-N 3.02Å; V214-L216 PolarHBondContact O-N 3.07Å; V214-L216 VanDerWaalsContact O-N 3.16Å; V214-M217 HydrophobicContact CG1-SD 4.39Å; V214-M217 WeakPolarHBondContact O-CB 3.49Å; V214-M217 WeakPolarHBondContact O-CG 3.43Å; V214-M217 PolarHBondContact O-N 3.5Å; V214-L232 HydrophobicContact CG2-CD1 4.33Å; V214-L232 HydrophobicContact CG2-CD2 3.96Å; V214-L265 HydrophobicContact CG2-CD1 3.84Å; V214-E268 HydrophobicContact CB-CB 3.99Å; V214-E268 HydrophobicContact CG1-CB 4.09Å; V214-E268 HydrophobicContact CG2-CB 3.83Å; V214-L269 HydrophobicContact CG1-CD2 3.99Å; V214-L272 HydrophobicContact CG1-CD1 3.58Å; V214-L272 HydrophobicContact CG1-CD2 3.72Å; V214-L272 HydrophobicContact CG1-CG 4.31Å |
| 215 | G | 78 | Confident | 70.8 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.5 | -23.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q211 L212 M213 M217 D218 | Q211-G215 WeakPolarHBondContact O-CA 3.1Å; Q211-G215 PolarHBondContact O-N 3.26Å; L212-G215 PolarHBondContact O-N 3.4Å; M213-G215 VanDerWaalsContact C-N 3.33Å; G215-M217 PolarHBondContact O-N 3.47Å; G215-M217 VanDerWaalsContact O-N 3.13Å; G215-D218 WeakPolarHBondContact O-CB 3.44Å; G215-D218 PolarHBondContact O-N 3.34Å |
| 216 | L | 74.6 | Confident | 71.4 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 27% | 0.272 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.9 | 173.9 | -67.4 | 176.4 | 0 | 0 | 0 | 113.4 | F154 L212 M213 V214 D218 A228 | F154-L216 HydrophobicContact CZ-CD1 4.3Å; L212-L216 PolarHBondContact O-N 2.71Å; M213-L216 WeakPolarHBondContact O-CB 3.17Å; M213-L216 PolarHBondContact O-N 3.33Å; V214-L216 PolarHBondContact O-N 3.07Å; V214-L216 VanDerWaalsContact O-N 3.16Å; L216-D218 VanDerWaalsContact C-N 3.25Å; L216-D218 PolarHBondContact O-N 2.91Å; L216-A228 HydrophobicContact CB-CB 3.87Å |
| 217 | M | 80.6 | Confident | 71.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -30.5 | 176.1 | -64.8 | 175.7 | 54.8 | 0 | 0 | 112 | V214 G215 N219 T225 A228 I229 L232 L269 L272 A282 G285 L289 | V214-M217 HydrophobicContact CG1-SD 4.39Å; V214-M217 WeakPolarHBondContact O-CB 3.49Å; V214-M217 WeakPolarHBondContact O-CG 3.43Å; V214-M217 PolarHBondContact O-N 3.5Å; G215-M217 PolarHBondContact O-N 3.47Å; G215-M217 VanDerWaalsContact O-N 3.13Å; M217-N219 VanDerWaalsContact C-N 3.28Å; M217-N219 PolarHBondContact O-N 3.32Å; M217-T225 HydrophobicContact CB-CG2 4.42Å; M217-T225 WeakPolarHBondContact O-CB 3.45Å; M217-T225 VanDerWaalsContact O-CG2 3.26Å; M217-T225 WeakPolarHBondContact O-CG2 3.29Å; M217-T225 PolarHBondContact O-OG1 3.41Å; M217-A228 HydrophobicContact CB-CB 4.48Å; M217-A228 HydrophobicContact CG-CB 3.75Å; M217-I229 HydrophobicContact CE-CD1 4.42Å; M217-I229 HydrophobicContact CE-CG1 3.72Å; M217-I229 HydrophobicContact CG-CG1 4.42Å; M217-I229 HydrophobicContact SD-CG1 4.36Å; M217-L232 HydrophobicContact CG-CD1 3.74Å; M217-L232 HydrophobicContact SD-CD1 3.2Å; M217-L232 WeakPolarHBondContact SD-CD1 3.39Å; M217-L269 HydrophobicContact SD-CD2 4.32Å; M217-L272 HydrophobicContact CB-CD2 4.48Å; M217-A282 HydrophobicContact CB-CB 4.08Å; M217-A282 WeakPolarHBondContact CE-O 3.36Å; M217-A282 WeakPolarHBondContact O-CB 3.39Å; M217-G285 VanDerWaalsContact CE-C 3.44Å; M217-L289 HydrophobicContact CE-CD1 4.34Å; M217-L289 HydrophobicContact SD-CD1 4Å |
| 218 | D | 83.3 | Confident | 72.7 | Confident | 72 Ų | 72 | 53.4 Ų | 53.4 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | trans | -78.3 | 77.8 | 178.8 | -168.8 | 31.7 | 0 | 0 | 0 | 110.6 | G215 L216 I278 | G215-D218 WeakPolarHBondContact O-CB 3.44Å; G215-D218 PolarHBondContact O-N 3.34Å; L216-D218 VanDerWaalsContact C-N 3.25Å; L216-D218 PolarHBondContact O-N 2.91Å; D218-I278 HydrophobicContact CB-CD1 3.73Å; D218-I278 VanDerWaalsContact CG-CD1 3.48Å; D218-I278 WeakPolarHBondContact OD2-CD1 3.07Å | ||
| 219 | N | 73.7 | Confident | 73.9 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 34% | 0.337 | 29% | 0.288 | S | S | . | . | trans | -133.9 | 147 | -179.9 | -158.3 | -73.7 | 0 | 0 | 0 | 111.1 | M217 D221 I224 | M217-N219 VanDerWaalsContact C-N 3.28Å; M217-N219 PolarHBondContact O-N 3.32Å; N219-D221 VanDerWaalsContact C-N 3.3Å; N219-D221 PolarHBondContact O-N 2.9Å; N219-D221 PolarHBondContact OD1-N 3.23Å; N219-I224 HydrophobicContact CB-CB 4.16Å; N219-I224 HydrophobicContact CB-CG2 4.09Å | ||
| 220 | S | 68.8 | Low | 74.5 | Confident | 126 Ų | 126 | 53.1 Ų | 53.1 | 88% | 0.881 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -67.4 | -28.4 | 174.1 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 221 | D | 71.4 | Confident | 74.6 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 20% | 0.198 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -89.9 | 110.1 | 176.6 | -170.5 | -22.8 | 0 | 0 | 0 | 110.6 | N219 R223 I224 T225 | N219-D221 VanDerWaalsContact C-N 3.3Å; N219-D221 PolarHBondContact O-N 2.9Å; N219-D221 PolarHBondContact OD1-N 3.23Å; D221-R223 PolarHBondContact O-N 3.44Å; D221-R223 VanDerWaalsContact OD1-CB 3.26Å; D221-R223 WeakPolarHBondContact OD1-CB 3.37Å; D221-R223 WeakPolarHBondContact OD1-CG 3.38Å; D221-R223 IonicContact OD1-CZ 2.84Å; D221-R223 PolarHBondContact OD1-N 3.05Å; D221-R223 IonicContact OD1-NE 2.86Å; D221-R223 PolarHBondContact OD1-NE 3.11Å; D221-R223 VanDerWaalsContact OD1-NE 3.09Å; D221-R223 IonicContact OD1-NH2 2.86Å; D221-R223 IonicContact OD2-CZ 3.19Å; D221-R223 IonicContact OD2-NE 3.97Å; D221-R223 PolarHBondContact OD2-NE 3.38Å; D221-R223 VanDerWaalsContact OD2-NE 3.14Å; D221-R223 IonicContact OD2-NH2 3.83Å; D221-R223 PolarHBondContact OD2-NH2 3.2Å; D221-I224 HydrophobicContact CB-CD1 3.91Å; D221-I224 HydrophobicContact CB-CG1 4.03Å; D221-I224 WeakPolarHBondContact O-CB 3.46Å; D221-I224 PolarHBondContact O-N 3.36Å; D221-T225 PolarHBondContact O-N 2.9Å |
| 222 | G | 68.6 | Low | 75.1 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 24% | 0.237 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.4 | -21.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K226 | G222-K226 WeakPolarHBondContact O-CB 3.35Å; G222-K226 VanDerWaalsContact O-CG 3.3Å; G222-K226 WeakPolarHBondContact O-CG 3.37Å; G222-K226 PolarHBondContact O-N 3.19Å |
| 223 | R | 71.6 | Confident | 75.9 | Confident | 177 Ų | 177 | 45 Ų | 45 | 67% | 0.668 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -67.7 | -37.8 | 173.7 | -62 | 174.4 | -67.7 | -176.9 | 1.3 | 111.6 | D221 A227 | D221-R223 PolarHBondContact O-N 3.44Å; D221-R223 VanDerWaalsContact OD1-CB 3.26Å; D221-R223 WeakPolarHBondContact OD1-CB 3.37Å; D221-R223 WeakPolarHBondContact OD1-CG 3.38Å; D221-R223 IonicContact OD1-CZ 2.84Å; D221-R223 PolarHBondContact OD1-N 3.05Å; D221-R223 IonicContact OD1-NE 2.86Å; D221-R223 PolarHBondContact OD1-NE 3.11Å; D221-R223 VanDerWaalsContact OD1-NE 3.09Å; D221-R223 IonicContact OD1-NH2 2.86Å; D221-R223 IonicContact OD2-CZ 3.19Å; D221-R223 IonicContact OD2-NE 3.97Å; D221-R223 PolarHBondContact OD2-NE 3.38Å; D221-R223 VanDerWaalsContact OD2-NE 3.14Å; D221-R223 IonicContact OD2-NH2 3.83Å; D221-R223 PolarHBondContact OD2-NH2 3.2Å; R223-A227 WeakPolarHBondContact O-CB 3.38Å; R223-A227 PolarHBondContact O-N 3.11Å |
| 224 | I | 70.2 | Confident | 76.4 | Confident | 31 Ų | 31 | 47.6 Ų | 47.6 | 16% | 0.159 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.1 | -45.2 | 177.3 | -58.7 | 176.6 | 0 | 0 | 0 | 109.2 | I161 N219 D221 K226 A227 A228 | I161-I224 HydrophobicContact CD1-CD1 3.81Å; I161-I224 HydrophobicContact CD1-CG1 3.88Å; I161-I224 HydrophobicContact CG2-CD1 3.85Å; N219-I224 HydrophobicContact CB-CB 4.16Å; N219-I224 HydrophobicContact CB-CG2 4.09Å; D221-I224 HydrophobicContact CB-CD1 3.91Å; D221-I224 HydrophobicContact CB-CG1 4.03Å; D221-I224 WeakPolarHBondContact O-CB 3.46Å; D221-I224 PolarHBondContact O-N 3.36Å; I224-K226 VanDerWaalsContact C-N 3.33Å; I224-K226 PolarHBondContact O-N 3.34Å; I224-A227 PolarHBondContact O-N 3.02Å; I224-A227 VanDerWaalsContact O-N 3.14Å; I224-A228 WeakPolarHBondContact O-CB 3.37Å; I224-A228 PolarHBondContact O-N 3.14Å |
| 225 | T | 74.4 | Confident | 76.5 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.1 | -45.8 | 174.6 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | M217 D221 A227 A228 I229 N281 | M217-T225 HydrophobicContact CB-CG2 4.42Å; M217-T225 WeakPolarHBondContact O-CB 3.45Å; M217-T225 VanDerWaalsContact O-CG2 3.26Å; M217-T225 WeakPolarHBondContact O-CG2 3.29Å; M217-T225 PolarHBondContact O-OG1 3.41Å; D221-T225 PolarHBondContact O-N 2.9Å; T225-A227 PolarHBondContact O-N 2.91Å; T225-A228 PolarHBondContact O-N 2.87Å; T225-I229 HydrophobicContact CG2-CD1 3.96Å; T225-I229 WeakPolarHBondContact O-CD1 3.34Å; T225-I229 VanDerWaalsContact O-CG1 3.24Å; T225-I229 WeakPolarHBondContact O-CG1 3.46Å; T225-I229 PolarHBondContact O-N 3.25Å; T225-N281 HydrophobicContact CG2-CB 4Å |
| 226 | K | 74.8 | Confident | 77.1 | Confident | 131 Ų | 131 | 46.2 Ų | 46.2 | 57% | 0.57 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.4 | -42.5 | 175.4 | -75.8 | -177.8 | -178.4 | -164.6 | 0 | 112.4 | G222 I224 I229 L230 | G222-K226 WeakPolarHBondContact O-CB 3.35Å; G222-K226 VanDerWaalsContact O-CG 3.3Å; G222-K226 WeakPolarHBondContact O-CG 3.37Å; G222-K226 PolarHBondContact O-N 3.19Å; I224-K226 VanDerWaalsContact C-N 3.33Å; I224-K226 PolarHBondContact O-N 3.34Å; K226-I229 PolarHBondContact O-N 2.93Å; K226-L230 WeakPolarHBondContact O-CG 3.49Å; K226-L230 PolarHBondContact O-N 3.43Å; K226-L230 VanDerWaalsContact O-N 3.07Å |
| 227 | A | 68.9 | Low | 77.6 | Confident | 23 Ų | 23 | 43.9 Ų | 43.9 | 19% | 0.19 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.8 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F157 R223 I224 T225 L230 L231 | F157-A227 HydrophobicContact CE1-CB 4.47Å; F157-A227 HydrophobicContact CZ-CB 4.48Å; R223-A227 WeakPolarHBondContact O-CB 3.38Å; R223-A227 PolarHBondContact O-N 3.11Å; I224-A227 PolarHBondContact O-N 3.02Å; I224-A227 VanDerWaalsContact O-N 3.14Å; T225-A227 PolarHBondContact O-N 2.91Å; A227-L230 PolarHBondContact O-N 3.17Å; A227-L231 PolarHBondContact O-N 3.46Å |
| 228 | A | 75.6 | Confident | 77.6 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L216 M217 I224 T225 L230 L231 L232 | L216-A228 HydrophobicContact CB-CB 3.87Å; M217-A228 HydrophobicContact CB-CB 4.48Å; M217-A228 HydrophobicContact CG-CB 3.75Å; I224-A228 WeakPolarHBondContact O-CB 3.37Å; I224-A228 PolarHBondContact O-N 3.14Å; T225-A228 PolarHBondContact O-N 2.87Å; A228-L230 VanDerWaalsContact C-N 3.34Å; A228-L230 PolarHBondContact O-N 3.48Å; A228-L231 WeakPolarHBondContact O-CB 3.2Å; A228-L231 PolarHBondContact O-N 2.79Å; A228-L232 VanDerWaalsContact O-CG 3.3Å; A228-L232 WeakPolarHBondContact O-CG 3.29Å; A228-L232 PolarHBondContact O-N 3.24Å |
| 229 | I | 82.7 | Confident | 77.7 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 19% | 0.185 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 174.3 | -67.2 | 160.1 | 0 | 0 | 0 | 110.7 | M217 T225 K226 L231 L232 Q233 L289 | M217-I229 HydrophobicContact CE-CD1 4.42Å; M217-I229 HydrophobicContact CE-CG1 3.72Å; M217-I229 HydrophobicContact CG-CG1 4.42Å; M217-I229 HydrophobicContact SD-CG1 4.36Å; T225-I229 HydrophobicContact CG2-CD1 3.96Å; T225-I229 WeakPolarHBondContact O-CD1 3.34Å; T225-I229 VanDerWaalsContact O-CG1 3.24Å; T225-I229 WeakPolarHBondContact O-CG1 3.46Å; T225-I229 PolarHBondContact O-N 3.25Å; K226-I229 PolarHBondContact O-N 2.93Å; I229-L231 VanDerWaalsContact C-N 3.34Å; I229-L231 PolarHBondContact O-N 3.37Å; I229-L232 PolarHBondContact O-N 3.41Å; I229-Q233 WeakPolarHBondContact O-CB 3.34Å; I229-Q233 PolarHBondContact O-N 2.79Å; I229-L289 HydrophobicContact CG2-CD2 4.25Å; I229-L289 HydrophobicContact CG2-CG 4.2Å |
| 230 | L | 79 | Confident | 78.4 | Confident | 93 Ų | 93 | 38.5 Ų | 38.5 | 49% | 0.487 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 177.5 | -74 | 169.1 | 0 | 0 | 0 | 112.4 | F192 K226 A227 A228 Q233 R234 | F192-L230 HydrophobicContact CE2-CB 4.5Å; F192-L230 HydrophobicContact CZ-CB 4.26Å; F192-L230 HydrophobicContact CZ-CD1 4.29Å; K226-L230 WeakPolarHBondContact O-CG 3.49Å; K226-L230 PolarHBondContact O-N 3.43Å; K226-L230 VanDerWaalsContact O-N 3.07Å; A227-L230 PolarHBondContact O-N 3.17Å; A228-L230 VanDerWaalsContact C-N 3.34Å; A228-L230 PolarHBondContact O-N 3.48Å; L230-Q233 PolarHBondContact O-N 2.63Å; L230-R234 WeakPolarHBondContact O-CG 3.24Å; L230-R234 PolarHBondContact O-N 3.27Å; L230-R234 VanDerWaalsContact O-N 3.08Å |
| 231 | L | 77.5 | Confident | 79.1 | Confident | 20 Ų | 20 | 33.6 Ų | 33.6 | 11% | 0.105 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.9 | -48.7 | 175.6 | 176.9 | 58.6 | 0 | 0 | 0 | 111.3 | M195 L201 L204 M213 A227 A228 I229 Q233 R234 C235 | M195-L231 HydrophobicContact CE-CD1 3.39Å; M195-L231 HydrophobicContact CE-CD2 3.81Å; M195-L231 HydrophobicContact CE-CG 4.22Å; L201-L231 HydrophobicContact CD1-CD1 3.72Å; L204-L231 HydrophobicContact CD2-CD1 4.17Å; L204-L231 HydrophobicContact CD2-CD2 4.29Å; M213-L231 HydrophobicContact SD-CD2 4.48Å; A227-L231 PolarHBondContact O-N 3.46Å; A228-L231 WeakPolarHBondContact O-CB 3.2Å; A228-L231 PolarHBondContact O-N 2.79Å; I229-L231 VanDerWaalsContact C-N 3.34Å; I229-L231 PolarHBondContact O-N 3.37Å; L231-Q233 VanDerWaalsContact C-N 3.34Å; L231-Q233 PolarHBondContact O-N 2.83Å; L231-R234 WeakPolarHBondContact O-CB 3.43Å; L231-R234 PolarHBondContact O-N 3.17Å; L231-R234 VanDerWaalsContact O-N 3.11Å; L231-C235 PolarHBondContact O-N 3.16Å; L231-C235 PolarHBondContact O-SG 3.48Å |
| 232 | L | 84.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.3 | -36.5 | 179.7 | -65.5 | 165.9 | 0 | 0 | 0 | 111.9 | M213 V214 M217 A228 I229 R234 C235 F236 L265 L289 | M213-L232 HydrophobicContact CB-CD2 4.31Å; V214-L232 HydrophobicContact CG2-CD1 4.33Å; V214-L232 HydrophobicContact CG2-CD2 3.96Å; M217-L232 HydrophobicContact CG-CD1 3.74Å; M217-L232 HydrophobicContact SD-CD1 3.2Å; M217-L232 WeakPolarHBondContact SD-CD1 3.39Å; A228-L232 VanDerWaalsContact O-CG 3.3Å; A228-L232 WeakPolarHBondContact O-CG 3.29Å; A228-L232 PolarHBondContact O-N 3.24Å; I229-L232 PolarHBondContact O-N 3.41Å; L232-R234 VanDerWaalsContact C-N 3.27Å; L232-R234 PolarHBondContact O-N 2.92Å; L232-C235 WeakPolarHBondContact O-CB 3.24Å; L232-C235 PolarHBondContact O-N 3.27Å; L232-F236 WeakPolarHBondContact O-CD2 3.47Å; L232-F236 PolarHBondContact O-N 3.4Å; L232-L265 HydrophobicContact CD2-CD1 3.86Å; L232-L289 HydrophobicContact CB-CD1 3.78Å; L232-L289 HydrophobicContact CB-CD2 4.29Å; L232-L289 HydrophobicContact CD1-CD1 3.9Å |
| 233 | Q | 86.1 | Confident | 79.7 | Confident | 21 Ų | 21 | 32.9 Ų | 32.9 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.3 | -39.5 | 171.7 | -179.3 | 58 | 59 | 0 | 0 | 111.6 | I229 L230 L231 F236 N237 L289 N293 | I229-Q233 WeakPolarHBondContact O-CB 3.34Å; I229-Q233 PolarHBondContact O-N 2.79Å; L230-Q233 PolarHBondContact O-N 2.63Å; L231-Q233 VanDerWaalsContact C-N 3.34Å; L231-Q233 PolarHBondContact O-N 2.83Å; Q233-F236 WeakPolarHBondContact O-CB 3.43Å; Q233-N237 PolarHBondContact NE2-OD1 3.35Å; Q233-N237 PolarHBondContact O-N 3.24Å; Q233-N237 PolarHBondContact O-OD1 3.03Å; Q233-L289 HydrophobicContact CB-CD2 3.86Å; Q233-N293 PolarHBondContact NE2-OD1 3.3Å; Q233-N293 PolarHBondContact OE1-ND2 3.46Å |
| 234 | R | 80.3 | Confident | 79.6 | Confident | 56 Ų | 56 | 25.8 Ų | 25.8 | 21% | 0.211 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.2 | -35.4 | 175.1 | -72.3 | 176.3 | 172.9 | -171.1 | -2.8 | 112.6 | T196 L201 L230 L231 L232 F236 N237 V238 P244 | T196-R234 VanDerWaalsContact CG2-NH1 3.27Å; L201-R234 HydrophobicContact CD2-CB 4.34Å; L230-R234 WeakPolarHBondContact O-CG 3.24Å; L230-R234 PolarHBondContact O-N 3.27Å; L230-R234 VanDerWaalsContact O-N 3.08Å; L231-R234 WeakPolarHBondContact O-CB 3.43Å; L231-R234 PolarHBondContact O-N 3.17Å; L231-R234 VanDerWaalsContact O-N 3.11Å; L232-R234 VanDerWaalsContact C-N 3.27Å; L232-R234 PolarHBondContact O-N 2.92Å; R234-F236 VanDerWaalsContact C-N 3.34Å; R234-N237 PolarHBondContact O-N 2.99Å; R234-N237 VanDerWaalsContact O-N 3.1Å; R234-V238 PolarHBondContact O-N 3.26Å; R234-P244 HydrophobicContact CG-CB 4.37Å |
| 235 | C | 82.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.9 | -48.5 | 172.5 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | L205 L231 L232 N237 V238 L239 | L205-C235 HydrophobicContact CD2-CB 4.35Å; L231-C235 PolarHBondContact O-N 3.16Å; L231-C235 PolarHBondContact O-SG 3.48Å; L232-C235 WeakPolarHBondContact O-CB 3.24Å; L232-C235 PolarHBondContact O-N 3.27Å; C235-N237 VanDerWaalsContact C-N 3.3Å; C235-N237 PolarHBondContact O-N 3.05Å; C235-V238 PolarHBondContact O-N 3Å; C235-L239 WeakPolarHBondContact O-CB 3.49Å; C235-L239 WeakPolarHBondContact O-CG 3.07Å; C235-L239 PolarHBondContact O-N 3.47Å |
| 236 | F | 88.9 | Confident | 79.5 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.1 | -47.1 | 170.3 | -91 | -62.9 | 0 | 0 | 0 | 112 | L232 Q233 R234 L239 M240 L262 L265 I266 L269 L289 N293 | L232-F236 WeakPolarHBondContact O-CD2 3.47Å; L232-F236 PolarHBondContact O-N 3.4Å; Q233-F236 WeakPolarHBondContact O-CB 3.43Å; R234-F236 VanDerWaalsContact C-N 3.34Å; F236-L239 PolarHBondContact O-N 3.35Å; F236-M240 HydrophobicContact CB-CE 3.82Å; F236-M240 HydrophobicContact CD1-CE 4.09Å; F236-M240 HydrophobicContact CG-CE 4.35Å; F236-M240 VanDerWaalsContact O-CB 3.26Å; F236-M240 WeakPolarHBondContact O-CB 3.37Å; F236-M240 WeakPolarHBondContact O-CE 3.46Å; F236-M240 WeakPolarHBondContact O-CG 3.28Å; F236-M240 PolarHBondContact O-N 2.97Å; F236-L262 HydrophobicContact CD1-CD2 3.87Å; F236-L262 HydrophobicContact CE1-CD2 4.12Å; F236-L265 HydrophobicContact CD1-CD2 3.72Å; F236-L265 HydrophobicContact CD2-CD2 3.59Å; F236-L265 HydrophobicContact CE1-CD2 3.5Å; F236-L265 VanDerWaalsContact CE1-CD2 3.5Å; F236-L265 HydrophobicContact CE1-CG 4.28Å; F236-L265 HydrophobicContact CE2-CD2 3.36Å; F236-L265 HydrophobicContact CE2-CG 3.89Å; F236-L265 HydrophobicContact CG-CD2 3.76Å; F236-L265 HydrophobicContact CZ-CD2 3.31Å; F236-L265 HydrophobicContact CZ-CG 3.73Å; F236-I266 HydrophobicContact CE1-CG1 4.44Å; F236-I266 HydrophobicContact CZ-CG1 4.38Å; F236-L269 HydrophobicContact CE2-CD1 3.7Å; F236-L269 HydrophobicContact CZ-CD1 3.81Å; F236-L289 HydrophobicContact CD2-CD2 4.38Å; F236-L289 HydrophobicContact CE2-CB 4.33Å; F236-N293 HydrophobicContact CB-CB 4.32Å; F236-N293 WeakPolarHBondContact CB-OD1 3.33Å; F236-N293 HydrophobicContact CD1-CB 3.67Å; F236-N293 HydrophobicContact CD2-CB 3.97Å; F236-N293 WeakPolarHBondContact CD2-ND2 3.25Å; F236-N293 HydrophobicContact CE1-CB 3.85Å; F236-N293 HydrophobicContact CE2-CB 4.13Å; F236-N293 HydrophobicContact CG-CB 3.73Å; F236-N293 VanDerWaalsContact CG-CG 3.49Å; F236-N293 HydrophobicContact CZ-CB 4.09Å |
| 237 | N | 85.2 | Confident | 79.4 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -46.6 | -179.3 | -64.1 | -9.9 | 0 | 0 | 0 | 112.7 | Q233 R234 C235 M240 R241 C243 P244 | Q233-N237 PolarHBondContact NE2-OD1 3.35Å; Q233-N237 PolarHBondContact O-N 3.24Å; Q233-N237 PolarHBondContact O-OD1 3.03Å; R234-N237 PolarHBondContact O-N 2.99Å; R234-N237 VanDerWaalsContact O-N 3.1Å; C235-N237 VanDerWaalsContact C-N 3.3Å; C235-N237 PolarHBondContact O-N 3.05Å; N237-M240 PolarHBondContact O-N 3.49Å; N237-R241 WeakPolarHBondContact O-CA 3.27Å; N237-R241 WeakPolarHBondContact O-CB 3.48Å; N237-R241 PolarHBondContact O-N 2.92Å; N237-R241 PolarHBondContact OD1-NH1 3.43Å; N237-C243 CarbonylContact C-O 3.5Å; N237-C243 VanDerWaalsContact CB-O 3.28Å; N237-C243 WeakPolarHBondContact CB-O 3.43Å; N237-P244 PolarHBondContact ND2-O 2.88Å |
| 238 | V | 81.9 | Confident | 79.8 | Confident | 16 Ų | 16 | 34 Ų | 34 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.9 | -45 | 178.6 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L201 R234 C235 M240 G242 C243 P244 | L201-V238 HydrophobicContact CD2-CB 3.87Å; L201-V238 HydrophobicContact CD2-CG1 4.48Å; L201-V238 HydrophobicContact CD2-CG2 3.47Å; L201-V238 VanDerWaalsContact CD2-CG2 3.47Å; R234-V238 PolarHBondContact O-N 3.26Å; C235-V238 PolarHBondContact O-N 3Å; V238-M240 PolarHBondContact O-N 3.48Å; V238-G242 WeakPolarHBondContact O-CA 3.29Å; V238-G242 PolarHBondContact O-N 2.8Å; V238-C243 PolarHBondContact N-O 3.01Å; V238-P244 HydrophobicContact CG2-CB 4.46Å |
| 239 | L | 84.5 | Confident | 80.2 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.7 | -28.8 | 179.9 | -67.6 | 176.1 | 0 | 0 | 0 | 113.1 | L205 C235 F236 N258 L261 L262 | L205-L239 HydrophobicContact CD1-CD2 3.85Å; L205-L239 HydrophobicContact CD1-CG 4.14Å; C235-L239 WeakPolarHBondContact O-CB 3.49Å; C235-L239 WeakPolarHBondContact O-CG 3.07Å; C235-L239 PolarHBondContact O-N 3.47Å; F236-L239 PolarHBondContact O-N 3.35Å; L239-N258 HydrophobicContact CB-CB 4.22Å; L239-N258 HydrophobicContact CD2-CB 3.91Å; L239-N258 PolarHBondContact O-ND2 3.33Å; L239-L261 HydrophobicContact CD1-CB 4.08Å; L239-L261 HydrophobicContact CD2-CB 4.34Å; L239-L261 HydrophobicContact CD2-CD1 3.79Å; L239-L262 HydrophobicContact CB-CD2 3.8Å; L239-L262 HydrophobicContact CB-CG 4.14Å; L239-L262 HydrophobicContact CD1-CD2 3.88Å; L239-L262 HydrophobicContact CD1-CG 4.19Å |
| 240 | M | 87.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -97.7 | -27.1 | -178.4 | -66.8 | -167.7 | -74.6 | 0 | 0 | 114.5 | F236 N237 V238 V250 N251 V255 L262 N293 L301 | F236-M240 HydrophobicContact CB-CE 3.82Å; F236-M240 HydrophobicContact CD1-CE 4.09Å; F236-M240 HydrophobicContact CG-CE 4.35Å; F236-M240 VanDerWaalsContact O-CB 3.26Å; F236-M240 WeakPolarHBondContact O-CB 3.37Å; F236-M240 WeakPolarHBondContact O-CE 3.46Å; F236-M240 WeakPolarHBondContact O-CG 3.28Å; F236-M240 PolarHBondContact O-N 2.97Å; N237-M240 PolarHBondContact O-N 3.49Å; V238-M240 PolarHBondContact O-N 3.48Å; M240-V250 HydrophobicContact CB-CG1 4.11Å; M240-V250 HydrophobicContact CB-CG2 4.23Å; M240-V250 HydrophobicContact SD-CG2 4.38Å; M240-N251 PolarHBondContact O-N 2.88Å; M240-V255 HydrophobicContact CB-CG2 4.02Å; M240-V255 HydrophobicContact CG-CG2 3.98Å; M240-L262 HydrophobicContact CG-CD1 4.44Å; M240-L262 HydrophobicContact CG-CD2 4.23Å; M240-N293 HydrophobicContact CE-CB 4.14Å; M240-L301 HydrophobicContact CG-CD2 3.85Å; M240-L301 HydrophobicContact SD-CB 4.39Å; M240-L301 HydrophobicContact SD-CD2 3.47Å; M240-L301 WeakPolarHBondContact SD-CD2 3.46Å; M240-L301 HydrophobicContact SD-CG 3.61Å |
| 241 | R | 85.1 | Confident | 80.9 | Confident | 23 Ų | 23 | 40.8 Ų | 40.8 | 9% | 0.087 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -128.9 | -16 | -167.9 | -54 | 172 | 176.7 | 92.6 | -2.5 | 114 | N237 C243 N245 V248 V250 N299 | N237-R241 WeakPolarHBondContact O-CA 3.27Å; N237-R241 WeakPolarHBondContact O-CB 3.48Å; N237-R241 PolarHBondContact O-N 2.92Å; N237-R241 PolarHBondContact OD1-NH1 3.43Å; R241-C243 VanDerWaalsContact C-N 3.26Å; R241-C243 PolarHBondContact O-N 2.92Å; R241-N245 WeakPolarHBondContact CD-O 3.47Å; R241-V248 HydrophobicContact CB-CB 4.4Å; R241-V248 HydrophobicContact CB-CG1 4.37Å; R241-V248 WeakPolarHBondContact CD-O 3.47Å; R241-V248 PolarHBondContact NE-O 3.25Å; R241-V250 HydrophobicContact CG-CG2 4.24Å; R241-N299 PolarHBondContact NH2-O 3.4Å |
| 242 | G | 75.8 | Confident | 81.4 | Confident | 19 Ų | 19 | 45.7 Ų | 45.7 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 77.9 | 7.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E198 V238 | E198-G242 VanDerWaalsContact CD-O 3.27Å; V238-G242 WeakPolarHBondContact O-CA 3.29Å; V238-G242 PolarHBondContact O-N 2.8Å |
| 243 | C | 76.6 | Confident | 81.6 | Confident | 27 Ų | 27 | 53 Ų | 53 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -144.1 | 155 | 178.7 | 69.5 | 0 | 0 | 0 | 0 | 111.6 | N237 V238 R241 N245 V248 | N237-C243 CarbonylContact C-O 3.5Å; N237-C243 VanDerWaalsContact CB-O 3.28Å; N237-C243 WeakPolarHBondContact CB-O 3.43Å; V238-C243 PolarHBondContact N-O 3.01Å; R241-C243 VanDerWaalsContact C-N 3.26Å; R241-C243 PolarHBondContact O-N 2.92Å; C243-N245 PolarHBondContact O-N 3.36Å; C243-N245 PolarHBondContact SG-O 3.13Å; C243-V248 WeakPolarHBondContact SG-CG2 3.34Å |
| 244 | P | 68.5 | Low | 81.7 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -72.7 | -12 | -178.4 | 29.9 | -36.8 | 0 | 0 | 0 | 114.1 | R234 N237 V238 | R234-P244 HydrophobicContact CG-CB 4.37Å; N237-P244 PolarHBondContact ND2-O 2.88Å; V238-P244 HydrophobicContact CG2-CB 4.46Å |
| 245 | N | 73.1 | Confident | 82.1 | Confident | 89 Ų | 89 | 51.6 Ų | 51.6 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | trans | -91.3 | 146.6 | -177.4 | -61.1 | -19.9 | 0 | 0 | 0 | 111.3 | R241 C243 | R241-N245 WeakPolarHBondContact CD-O 3.47Å; C243-N245 PolarHBondContact O-N 3.36Å; C243-N245 PolarHBondContact SG-O 3.13Å | ||
| 246 | D | 70.6 | Confident | 82.4 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 32% | 0.321 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -91.4 | -6.7 | -179 | 53.3 | -18.8 | 0 | 0 | 0 | 114.2 | V248 K292 N299 | D246-V248 PolarHBondContact O-N 3.06Å; D246-K292 WeakPolarHBondContact OD2-CE 3.49Å; D246-K292 IonicContact OD2-NZ 2.82Å; D246-K292 PolarHBondContact OD2-NZ 3.48Å; D246-N299 PolarHBondContact O-ND2 3.45Å |
| 247 | D | 71 | Confident | 82.3 | Confident | 140 Ų | 140 | 62.1 Ų | 62.1 | 75% | 0.749 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -68.8 | -21.5 | 177.7 | -52 | -46.8 | 0 | 0 | 0 | 113.1 | ||
| 248 | V | 77.5 | Confident | 82.3 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -80.6 | 141.7 | 179.6 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | R241 C243 D246 N299 | R241-V248 HydrophobicContact CB-CB 4.4Å; R241-V248 HydrophobicContact CB-CG1 4.37Å; R241-V248 WeakPolarHBondContact CD-O 3.47Å; R241-V248 PolarHBondContact NE-O 3.25Å; C243-V248 WeakPolarHBondContact SG-CG2 3.34Å; D246-V248 PolarHBondContact O-N 3.06Å; V248-N299 PolarHBondContact O-ND2 2.99Å; V248-N299 VanDerWaalsContact O-ND2 3.07Å |
| 249 | K | 84.4 | Confident | 82.5 | Confident | 173 Ų | 173 | 66.6 Ų | 66.6 | 75% | 0.752 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 147.5 | 174.8 | -72.2 | -174 | 178 | -179.4 | 0 | 110.7 | ||
| 250 | V | 88 | Confident | 82.5 | Confident | 29 Ų | 29 | 73 Ų | 73 | 18% | 0.176 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 134.3 | 176.6 | 174.4 | 0 | 0 | 0 | 0 | 111 | M240 R241 V255 N299 G300 P302 | M240-V250 HydrophobicContact CB-CG1 4.11Å; M240-V250 HydrophobicContact CB-CG2 4.23Å; M240-V250 HydrophobicContact SD-CG2 4.38Å; R241-V250 HydrophobicContact CG-CG2 4.24Å; V250-V255 HydrophobicContact CG1-CG2 3.55Å; V250-N299 WeakPolarHBondContact CG2-O 3.42Å; V250-G300 WeakPolarHBondContact CG2-O 3.44Å; V250-P302 HydrophobicContact CG1-CG 4.2Å |
| 251 | N | 87.9 | Confident | 82.4 | Confident | 75 Ų | 75 | 75.3 Ų | 75.3 | 40% | 0.401 | 39% | 0.391 | S | S | . | . | trans | -96.2 | 109.5 | 174.3 | -178.9 | -18.3 | 0 | 0 | 0 | 109 | M240 E253 L254 V255 | M240-N251 PolarHBondContact O-N 2.88Å; N251-E253 VanDerWaalsContact C-N 3.31Å; N251-E253 PolarHBondContact O-N 3.38Å; N251-E253 PolarHBondContact OD1-N 3.24Å; N251-E253 VanDerWaalsContact OD1-N 3.08Å; N251-L254 HydrophobicContact CB-CB 3.94Å; N251-L254 PolarHBondContact O-N 3.33Å; N251-L254 PolarHBondContact OD1-N 3.48Å; N251-V255 WeakPolarHBondContact O-CG2 3.5Å; N251-V255 PolarHBondContact O-N 3.43Å | ||
| 252 | E | 89.5 | Confident | 82.6 | Confident | 123 Ų | 123 | 74.2 Ų | 74.2 | 58% | 0.575 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.4 | -34.6 | -176.1 | -61.6 | -170 | 176.9 | 0 | 0 | 113.2 | V255 E256 P302 | E252-V255 PolarHBondContact O-N 3.3Å; E252-E256 PolarHBondContact O-N 3.45Å; E252-P302 HydrophobicContact CG-CB 4.3Å; E252-P302 HydrophobicContact CG-CG 4.03Å |
| 253 | E | 88.9 | Confident | 83.2 | Confident | 155 Ų | 155 | 76.6 Ų | 76.6 | 72% | 0.724 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.9 | -39.4 | 177.2 | -63.5 | -178.6 | 173.1 | 0 | 0 | 111.4 | N251 E256 T257 | N251-E253 VanDerWaalsContact C-N 3.31Å; N251-E253 PolarHBondContact O-N 3.38Å; N251-E253 PolarHBondContact OD1-N 3.24Å; N251-E253 VanDerWaalsContact OD1-N 3.08Å; E253-E256 PolarHBondContact O-N 3.49Å; E253-T257 PolarHBondContact O-N 3.37Å; E253-T257 PolarHBondContact O-OG1 3.24Å |
| 254 | L | 87 | Confident | 83.7 | Confident | 44 Ų | 44 | 79.2 Ų | 79.2 | 23% | 0.23 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 176.8 | -173.1 | 64.7 | 0 | 0 | 0 | 111.2 | N251 E256 T257 N258 | N251-L254 HydrophobicContact CB-CB 3.94Å; N251-L254 PolarHBondContact O-N 3.33Å; N251-L254 PolarHBondContact OD1-N 3.48Å; L254-E256 VanDerWaalsContact C-N 3.33Å; L254-E256 PolarHBondContact O-N 2.78Å; L254-T257 WeakPolarHBondContact O-CB 3.38Å; L254-T257 PolarHBondContact O-N 3.28Å; L254-N258 WeakPolarHBondContact CD1-ND2 3.35Å; L254-N258 WeakPolarHBondContact O-CB 3.18Å; L254-N258 PolarHBondContact O-N 3.42Å; L254-N258 PolarHBondContact O-ND2 3.48Å |
| 255 | V | 90.3 | Very high | 84.7 | Confident | 2 Ų | 2 | 77.9 Ų | 77.9 | 1% | 0.012 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60 | -43.2 | 174.3 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | M240 V250 N251 E252 N258 K259 L262 L301 P302 W305 | M240-V255 HydrophobicContact CB-CG2 4.02Å; M240-V255 HydrophobicContact CG-CG2 3.98Å; V250-V255 HydrophobicContact CG1-CG2 3.55Å; N251-V255 WeakPolarHBondContact O-CG2 3.5Å; N251-V255 PolarHBondContact O-N 3.43Å; E252-V255 PolarHBondContact O-N 3.3Å; V255-N258 CarbonylContact O-C 3.52Å; V255-N258 PolarHBondContact O-N 3.13Å; V255-K259 WeakPolarHBondContact O-CA 3.44Å; V255-K259 PolarHBondContact O-N 2.95Å; V255-L262 HydrophobicContact CB-CD1 4.39Å; V255-L262 HydrophobicContact CG1-CD1 3.84Å; V255-L262 HydrophobicContact CG2-CD1 4.49Å; V255-L301 HydrophobicContact CG1-CD2 3.99Å; V255-L301 HydrophobicContact CG2-CD2 4.48Å; V255-P302 HydrophobicContact CB-CG 4.15Å; V255-P302 HydrophobicContact CG1-CG 3.92Å; V255-P302 HydrophobicContact CG2-CG 4.11Å; V255-W305 HydrophobicContact CG1-CZ2 3.93Å |
| 256 | E | 88.3 | Confident | 85.7 | Confident | 110 Ų | 110 | 74.3 Ų | 74.3 | 51% | 0.514 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 178.3 | -170.2 | 61.7 | -155.8 | 0 | 0 | 111.5 | E252 E253 L254 N258 K259 | E252-E256 PolarHBondContact O-N 3.45Å; E253-E256 PolarHBondContact O-N 3.49Å; L254-E256 VanDerWaalsContact C-N 3.33Å; L254-E256 PolarHBondContact O-N 2.78Å; E256-N258 VanDerWaalsContact C-N 3.34Å; E256-N258 PolarHBondContact O-N 2.87Å; E256-K259 VanDerWaalsContact O-CB 3.24Å; E256-K259 WeakPolarHBondContact O-CB 3.5Å; E256-K259 PolarHBondContact O-N 3.18Å; E256-K259 WeakPolarHBondContact OE1-CD 3.37Å; E256-K259 IonicContact OE1-NZ 3.14Å; E256-K259 PolarHBondContact OE1-NZ 3.45Å; E256-K259 WeakPolarHBondContact OE2-CD 3.24Å; E256-K259 IonicContact OE2-NZ 3.58Å; E256-K259 PolarHBondContact OE2-NZ 3.08Å |
| 257 | T | 85.3 | Confident | 86.7 | Confident | 113 Ų | 113 | 76.5 Ų | 76.5 | 69% | 0.693 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.7 | -42.1 | 173.8 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | E253 L254 K259 | E253-T257 PolarHBondContact O-N 3.37Å; E253-T257 PolarHBondContact O-OG1 3.24Å; L254-T257 WeakPolarHBondContact O-CB 3.38Å; L254-T257 PolarHBondContact O-N 3.28Å; T257-K259 VanDerWaalsContact C-N 3.35Å |
| 258 | N | 85.4 | Confident | 87.6 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 18% | 0.176 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 12.4 | -176.8 | -70.9 | -32.5 | 0 | 0 | 0 | 114 | L239 L254 V255 E256 L260 L261 L262 | L239-N258 HydrophobicContact CB-CB 4.22Å; L239-N258 HydrophobicContact CD2-CB 3.91Å; L239-N258 PolarHBondContact O-ND2 3.33Å; L254-N258 WeakPolarHBondContact CD1-ND2 3.35Å; L254-N258 WeakPolarHBondContact O-CB 3.18Å; L254-N258 PolarHBondContact O-N 3.42Å; L254-N258 PolarHBondContact O-ND2 3.48Å; V255-N258 CarbonylContact O-C 3.52Å; V255-N258 PolarHBondContact O-N 3.13Å; E256-N258 VanDerWaalsContact C-N 3.34Å; E256-N258 PolarHBondContact O-N 2.87Å; N258-L260 VanDerWaalsContact C-N 3.33Å; N258-L260 PolarHBondContact O-N 3.31Å; N258-L261 PolarHBondContact O-N 3.45Å; N258-L261 VanDerWaalsContact O-N 3.16Å; N258-L262 HydrophobicContact CB-CD1 4.35Å; N258-L262 PolarHBondContact O-N 3.09Å |
| 259 | K | 86.9 | Confident | 88.5 | Confident | 81 Ų | 81 | 67.4 Ų | 67.4 | 35% | 0.352 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -56.8 | -41.4 | -169.8 | 179.5 | 169.6 | -172.4 | 163.4 | 0 | 113.9 | V255 E256 T257 L262 V263 W305 | V255-K259 WeakPolarHBondContact O-CA 3.44Å; V255-K259 PolarHBondContact O-N 2.95Å; E256-K259 VanDerWaalsContact O-CB 3.24Å; E256-K259 WeakPolarHBondContact O-CB 3.5Å; E256-K259 PolarHBondContact O-N 3.18Å; E256-K259 WeakPolarHBondContact OE1-CD 3.37Å; E256-K259 IonicContact OE1-NZ 3.14Å; E256-K259 PolarHBondContact OE1-NZ 3.45Å; E256-K259 WeakPolarHBondContact OE2-CD 3.24Å; E256-K259 IonicContact OE2-NZ 3.58Å; E256-K259 PolarHBondContact OE2-NZ 3.08Å; T257-K259 VanDerWaalsContact C-N 3.35Å; K259-L262 PolarHBondContact O-N 2.98Å; K259-V263 HydrophobicContact CG-CG2 4.45Å; K259-V263 WeakPolarHBondContact O-CB 3.36Å; K259-V263 VanDerWaalsContact O-CG2 3.28Å; K259-V263 WeakPolarHBondContact O-CG2 3.39Å; K259-V263 PolarHBondContact O-N 3.06Å; K259-W305 HydrophobicContact CB-CH2 4.45Å; K259-W305 HydrophobicContact CB-CZ2 4.39Å; K259-W305 HydrophobicContact CG-CH2 3.86Å; K259-W305 HydrophobicContact CG-CZ2 3.86Å |
| 260 | L | 85.2 | Confident | 89 | Confident | 139 Ų | 139 | 60.2 Ų | 60.2 | 73% | 0.728 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62 | -47.2 | 179.4 | -66.9 | 175.4 | 0 | 0 | 0 | 111.2 | N258 L262 V263 D264 | N258-L260 VanDerWaalsContact C-N 3.33Å; N258-L260 PolarHBondContact O-N 3.31Å; L260-L262 VanDerWaalsContact C-N 3.33Å; L260-L262 PolarHBondContact O-N 3.44Å; L260-V263 PolarHBondContact O-N 3.29Å; L260-D264 PolarHBondContact O-N 3.38Å |
| 261 | L | 84.4 | Confident | 89.1 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 177.5 | -63.2 | 175.5 | 0 | 0 | 0 | 111.9 | M210 L239 N258 D264 L265 | M210-L261 HydrophobicContact CE-CB 4.14Å; M210-L261 HydrophobicContact CE-CD2 4.03Å; L239-L261 HydrophobicContact CD1-CB 4.08Å; L239-L261 HydrophobicContact CD2-CB 4.34Å; L239-L261 HydrophobicContact CD2-CD1 3.79Å; N258-L261 PolarHBondContact O-N 3.45Å; N258-L261 VanDerWaalsContact O-N 3.16Å; L261-D264 PolarHBondContact O-N 2.54Å; L261-L265 VanDerWaalsContact O-CB 3.3Å; L261-L265 WeakPolarHBondContact O-CB 3.06Å; L261-L265 PolarHBondContact O-N 2.62Å |
| 262 | L | 89.1 | Confident | 89.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 177.1 | -72.1 | 167.7 | 0 | 0 | 0 | 112.1 | F236 L239 M240 V255 N258 K259 L260 L265 I266 L301 W305 | F236-L262 HydrophobicContact CD1-CD2 3.87Å; F236-L262 HydrophobicContact CE1-CD2 4.12Å; L239-L262 HydrophobicContact CB-CD2 3.8Å; L239-L262 HydrophobicContact CB-CG 4.14Å; L239-L262 HydrophobicContact CD1-CD2 3.88Å; L239-L262 HydrophobicContact CD1-CG 4.19Å; M240-L262 HydrophobicContact CG-CD1 4.44Å; M240-L262 HydrophobicContact CG-CD2 4.23Å; V255-L262 HydrophobicContact CB-CD1 4.39Å; V255-L262 HydrophobicContact CG1-CD1 3.84Å; V255-L262 HydrophobicContact CG2-CD1 4.49Å; N258-L262 HydrophobicContact CB-CD1 4.35Å; N258-L262 PolarHBondContact O-N 3.09Å; K259-L262 PolarHBondContact O-N 2.98Å; L260-L262 VanDerWaalsContact C-N 3.33Å; L260-L262 PolarHBondContact O-N 3.44Å; L262-L265 PolarHBondContact O-N 3.03Å; L262-I266 WeakPolarHBondContact O-CB 3.48Å; L262-I266 WeakPolarHBondContact O-CD1 3.46Å; L262-I266 VanDerWaalsContact O-CG1 3.29Å; L262-I266 WeakPolarHBondContact O-CG1 3.16Å; L262-I266 PolarHBondContact O-N 3.29Å; L262-L301 HydrophobicContact CD1-CD2 3.84Å; L262-L301 HydrophobicContact CD2-CD2 4.28Å; L262-W305 HydrophobicContact CB-CH2 3.63Å; L262-W305 HydrophobicContact CB-CZ2 4.49Å; L262-W305 HydrophobicContact CB-CZ3 3.97Å; L262-W305 HydrophobicContact CD1-CH2 4.39Å; L262-W305 HydrophobicContact CD1-CZ2 4.48Å |
| 263 | V | 89.5 | Confident | 89.5 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 42% | 0.418 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 174 | 167.8 | 0 | 0 | 0 | 0 | 110.6 | K259 L260 L265 I266 F267 W305 | K259-V263 HydrophobicContact CG-CG2 4.45Å; K259-V263 WeakPolarHBondContact O-CB 3.36Å; K259-V263 VanDerWaalsContact O-CG2 3.28Å; K259-V263 WeakPolarHBondContact O-CG2 3.39Å; K259-V263 PolarHBondContact O-N 3.06Å; L260-V263 PolarHBondContact O-N 3.29Å; V263-L265 PolarHBondContact O-N 2.98Å; V263-I266 PolarHBondContact O-N 3.25Å; V263-F267 VanDerWaalsContact O-CB 3.25Å; V263-F267 WeakPolarHBondContact O-CB 3.36Å; V263-F267 PolarHBondContact O-N 3.23Å; V263-W305 HydrophobicContact CG2-CH2 3.78Å; V263-W305 HydrophobicContact CG2-CZ3 3.67Å |
| 264 | D | 87.3 | Confident | 89.6 | Confident | 81 Ų | 81 | 48.2 Ų | 48.2 | 43% | 0.433 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 178.2 | -71.4 | -16.8 | 0 | 0 | 0 | 111.5 | M210 L260 L261 F267 E268 | M210-D264 HydrophobicContact CB-CB 4.37Å; M210-D264 HydrophobicContact CG-CB 4.26Å; L260-D264 PolarHBondContact O-N 3.38Å; L261-D264 PolarHBondContact O-N 2.54Å; D264-F267 WeakPolarHBondContact O-CB 3.45Å; D264-F267 PolarHBondContact O-N 2.86Å; D264-E268 PolarHBondContact O-N 2.92Å |
| 265 | L | 89.5 | Confident | 89.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 176.4 | -174.1 | 68.8 | 0 | 0 | 0 | 111.3 | M210 V214 L232 F236 L261 L262 V263 F267 E268 L269 | M210-L265 HydrophobicContact CG-CB 4.22Å; M210-L265 HydrophobicContact CG-CD1 4.19Å; M210-L265 HydrophobicContact SD-CB 4.01Å; M210-L265 HydrophobicContact SD-CD1 3.6Å; M210-L265 VanDerWaalsContact SD-CD1 3.6Å; M210-L265 HydrophobicContact SD-CG 4.36Å; V214-L265 HydrophobicContact CG2-CD1 3.84Å; L232-L265 HydrophobicContact CD2-CD1 3.86Å; F236-L265 HydrophobicContact CD1-CD2 3.72Å; F236-L265 HydrophobicContact CD2-CD2 3.59Å; F236-L265 HydrophobicContact CE1-CD2 3.5Å; F236-L265 VanDerWaalsContact CE1-CD2 3.5Å; F236-L265 HydrophobicContact CE1-CG 4.28Å; F236-L265 HydrophobicContact CE2-CD2 3.36Å; F236-L265 HydrophobicContact CE2-CG 3.89Å; F236-L265 HydrophobicContact CG-CD2 3.76Å; F236-L265 HydrophobicContact CZ-CD2 3.31Å; F236-L265 HydrophobicContact CZ-CG 3.73Å; L261-L265 VanDerWaalsContact O-CB 3.3Å; L261-L265 WeakPolarHBondContact O-CB 3.06Å; L261-L265 PolarHBondContact O-N 2.62Å; L262-L265 PolarHBondContact O-N 3.03Å; V263-L265 PolarHBondContact O-N 2.98Å; L265-F267 VanDerWaalsContact C-N 3.32Å; L265-F267 PolarHBondContact O-N 3.42Å; L265-E268 PolarHBondContact O-N 3.45Å; L265-L269 HydrophobicContact CG-CD1 4.4Å; L265-L269 VanDerWaalsContact O-CG 3.22Å; L265-L269 WeakPolarHBondContact O-CG 3.45Å; L265-L269 PolarHBondContact O-N 3.07Å |
| 266 | I | 93.3 | Very high | 89.6 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | 175.9 | -69.3 | 163.7 | 0 | 0 | 0 | 110.9 | F236 L262 V263 L269 K270 L290 L294 L301 W305 F309 | F236-I266 HydrophobicContact CE1-CG1 4.44Å; F236-I266 HydrophobicContact CZ-CG1 4.38Å; L262-I266 WeakPolarHBondContact O-CB 3.48Å; L262-I266 WeakPolarHBondContact O-CD1 3.46Å; L262-I266 VanDerWaalsContact O-CG1 3.29Å; L262-I266 WeakPolarHBondContact O-CG1 3.16Å; L262-I266 PolarHBondContact O-N 3.29Å; V263-I266 PolarHBondContact O-N 3.25Å; I266-L269 PolarHBondContact O-N 3.42Å; I266-K270 HydrophobicContact CG2-CD 4.49Å; I266-K270 HydrophobicContact CG2-CG 4.37Å; I266-K270 WeakPolarHBondContact O-CB 3.23Å; I266-K270 WeakPolarHBondContact O-CG 3.46Å; I266-K270 PolarHBondContact O-N 2.78Å; I266-L290 HydrophobicContact CG2-CD2 4.29Å; I266-L294 HydrophobicContact CD1-CD1 4.21Å; I266-L301 HydrophobicContact CD1-CD1 3.56Å; I266-W305 HydrophobicContact CD1-CE3 3.62Å; I266-W305 HydrophobicContact CD1-CZ3 3.73Å; I266-F309 HydrophobicContact CG2-CD2 4.05Å; I266-F309 HydrophobicContact CG2-CE2 4.31Å |
| 267 | F | 92.7 | Very high | 89.4 | Confident | 106 Ų | 106 | 56.1 Ų | 56.1 | 47% | 0.465 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 178.1 | 177.1 | -92.8 | 0 | 0 | 0 | 111.5 | V263 D264 L265 K270 R271 | V263-F267 VanDerWaalsContact O-CB 3.25Å; V263-F267 WeakPolarHBondContact O-CB 3.36Å; V263-F267 PolarHBondContact O-N 3.23Å; D264-F267 WeakPolarHBondContact O-CB 3.45Å; D264-F267 PolarHBondContact O-N 2.86Å; L265-F267 VanDerWaalsContact C-N 3.32Å; L265-F267 PolarHBondContact O-N 3.42Å; F267-K270 WeakPolarHBondContact O-CB 3.42Å; F267-K270 PolarHBondContact O-N 2.98Å; F267-R271 PolarHBondContact O-N 3Å |
| 268 | E | 90.2 | Very high | 89.4 | Confident | 18 Ų | 18 | 50.9 Ų | 50.9 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -43.3 | 176.7 | -73.4 | -56.8 | 133 | 0 | 0 | 111.7 | Q211 V214 D264 L265 K270 R271 L272 | Q211-E268 HydrophobicContact CB-CG 4.35Å; V214-E268 HydrophobicContact CB-CB 3.99Å; V214-E268 HydrophobicContact CG1-CB 4.09Å; V214-E268 HydrophobicContact CG2-CB 3.83Å; D264-E268 PolarHBondContact O-N 2.92Å; L265-E268 PolarHBondContact O-N 3.45Å; E268-K270 VanDerWaalsContact C-N 3.31Å; E268-K270 PolarHBondContact O-N 2.86Å; E268-R271 VanDerWaalsContact O-CB 3.27Å; E268-R271 WeakPolarHBondContact O-CB 3.47Å; E268-R271 PolarHBondContact O-N 3.35Å; E268-R271 IonicContact OE1-NE 3.75Å; E268-R271 IonicContact OE2-CZ 3.54Å; E268-R271 IonicContact OE2-NE 2.65Å; E268-R271 PolarHBondContact OE2-NE 3.14Å; E268-R271 IonicContact OE2-NH2 3.56Å; E268-R271 PolarHBondContact OE2-NH2 2.88Å; E268-L272 WeakPolarHBondContact O-CD1 3.26Å; E268-L272 PolarHBondContact O-N 2.99Å; E268-L272 VanDerWaalsContact O-N 3.13Å |
| 269 | L | 95 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 175.1 | -67 | 171.3 | 0 | 0 | 0 | 112.3 | V214 M217 F236 L265 I266 R271 L272 L273 L289 L290 | V214-L269 HydrophobicContact CG1-CD2 3.99Å; M217-L269 HydrophobicContact SD-CD2 4.32Å; F236-L269 HydrophobicContact CE2-CD1 3.7Å; F236-L269 HydrophobicContact CZ-CD1 3.81Å; L265-L269 HydrophobicContact CG-CD1 4.4Å; L265-L269 VanDerWaalsContact O-CG 3.22Å; L265-L269 WeakPolarHBondContact O-CG 3.45Å; L265-L269 PolarHBondContact O-N 3.07Å; I266-L269 PolarHBondContact O-N 3.42Å; L269-R271 VanDerWaalsContact C-N 3.32Å; L269-R271 PolarHBondContact O-N 3.33Å; L269-L272 PolarHBondContact O-N 2.9Å; L269-L273 PolarHBondContact O-N 3.12Å; L269-L289 HydrophobicContact CD1-CB 4.06Å; L269-L289 HydrophobicContact CD1-CD1 4.48Å; L269-L289 HydrophobicContact CD2-CB 4.46Å; L269-L289 HydrophobicContact CD2-CD1 3.81Å; L269-L290 HydrophobicContact CB-CD1 4.42Å; L269-L290 HydrophobicContact CB-CD2 4.26Å; L269-L290 HydrophobicContact CB-CG 4.26Å; L269-L290 HydrophobicContact CD1-CD2 4.34Å; L269-L290 HydrophobicContact CD1-CG 4.47Å |
| 270 | K | 94.4 | Very high | 89.4 | Confident | 22 Ų | 22 | 47.7 Ų | 47.7 | 10% | 0.096 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 173 | -77.7 | -168.5 | -52.8 | 172.5 | 0 | 111.7 | I266 F267 E268 L272 L273 F309 D313 R317 | I266-K270 HydrophobicContact CG2-CD 4.49Å; I266-K270 HydrophobicContact CG2-CG 4.37Å; I266-K270 WeakPolarHBondContact O-CB 3.23Å; I266-K270 WeakPolarHBondContact O-CG 3.46Å; I266-K270 PolarHBondContact O-N 2.78Å; F267-K270 WeakPolarHBondContact O-CB 3.42Å; F267-K270 PolarHBondContact O-N 2.98Å; E268-K270 VanDerWaalsContact C-N 3.31Å; E268-K270 PolarHBondContact O-N 2.86Å; K270-L272 VanDerWaalsContact C-N 3.35Å; K270-L273 WeakPolarHBondContact O-CB 3.22Å; K270-L273 PolarHBondContact O-N 3.31Å; K270-F309 HydrophobicContact CD-CD2 3.97Å; K270-F309 HydrophobicContact CD-CE2 3.59Å; K270-F309 HydrophobicContact CD-CZ 4.36Å; K270-F309 HydrophobicContact CG-CD2 4.29Å; K270-F309 HydrophobicContact CG-CE2 3.47Å; K270-F309 VanDerWaalsContact CG-CE2 3.47Å; K270-F309 HydrophobicContact CG-CZ 4.16Å; K270-D313 IonicContact NZ-OD1 2.78Å; K270-D313 PolarHBondContact NZ-OD1 3.45Å; K270-R317 WeakPolarHBondContact O-CD 3.25Å |
| 271 | R | 92 | Very high | 89.5 | Confident | 64 Ų | 64 | 45.1 Ų | 45.1 | 24% | 0.242 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -46 | 178.1 | -170.3 | -177.1 | 66.6 | 71.2 | 10.7 | 110.9 | F267 E268 L269 L273 I274 E275 | F267-R271 PolarHBondContact O-N 3Å; E268-R271 VanDerWaalsContact O-CB 3.27Å; E268-R271 WeakPolarHBondContact O-CB 3.47Å; E268-R271 PolarHBondContact O-N 3.35Å; E268-R271 IonicContact OE1-NE 3.75Å; E268-R271 IonicContact OE2-CZ 3.54Å; E268-R271 IonicContact OE2-NE 2.65Å; E268-R271 PolarHBondContact OE2-NE 3.14Å; E268-R271 IonicContact OE2-NH2 3.56Å; E268-R271 PolarHBondContact OE2-NH2 2.88Å; L269-R271 VanDerWaalsContact C-N 3.32Å; L269-R271 PolarHBondContact O-N 3.33Å; R271-L273 PolarHBondContact O-N 2.94Å; R271-I274 PolarHBondContact O-N 3.47Å; R271-E275 IonicContact CZ-OE2 2.65Å; R271-E275 IonicContact NH1-OE1 3.28Å; R271-E275 PolarHBondContact NH1-OE1 3.49Å; R271-E275 IonicContact NH1-OE2 2.81Å; R271-E275 PolarHBondContact NH1-OE2 3.04Å; R271-E275 IonicContact NH2-OE2 3.35Å; R271-E275 WeakPolarHBondContact O-CB 3.09Å; R271-E275 PolarHBondContact O-N 3.35Å |
| 272 | L | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -24.9 | -179.7 | -86.1 | 73.2 | 0 | 0 | 0 | 113.7 | V214 M217 E268 L269 K270 I274 I278 S286 | V214-L272 HydrophobicContact CG1-CD1 3.58Å; V214-L272 HydrophobicContact CG1-CD2 3.72Å; V214-L272 HydrophobicContact CG1-CG 4.31Å; M217-L272 HydrophobicContact CB-CD2 4.48Å; E268-L272 WeakPolarHBondContact O-CD1 3.26Å; E268-L272 PolarHBondContact O-N 2.99Å; E268-L272 VanDerWaalsContact O-N 3.13Å; L269-L272 PolarHBondContact O-N 2.9Å; K270-L272 VanDerWaalsContact C-N 3.35Å; L272-I274 PolarHBondContact O-N 3.33Å; L272-I278 HydrophobicContact CG-CD1 4.17Å; L272-I278 HydrophobicContact CG-CG1 4.21Å; L272-S286 WeakPolarHBondContact CB-OG 3.17Å |
| 273 | L | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.9 | -46.7 | -179.3 | -66.6 | 178.2 | 0 | 0 | 0 | 112.3 | L269 K270 R271 R283 I287 L290 R317 L318 V321 | L269-L273 PolarHBondContact O-N 3.12Å; K270-L273 WeakPolarHBondContact O-CB 3.22Å; K270-L273 PolarHBondContact O-N 3.31Å; R271-L273 PolarHBondContact O-N 2.94Å; L273-R283 WeakPolarHBondContact O-CD 3.48Å; L273-R283 PolarHBondContact O-NE 3.44Å; L273-I287 HydrophobicContact CD2-CD1 4.48Å; L273-I287 HydrophobicContact CD2-CG1 3.57Å; L273-L290 HydrophobicContact CD1-CD1 3.96Å; L273-L290 HydrophobicContact CD2-CD1 4.35Å; L273-L290 HydrophobicContact CG-CD1 4.42Å; L273-R317 HydrophobicContact CB-CB 4.42Å; L273-R317 HydrophobicContact CD1-CB 4.02Å; L273-L318 HydrophobicContact CD1-CD2 3.81Å; L273-L318 HydrophobicContact CD1-CG 4.18Å; L273-L318 HydrophobicContact CD2-CD2 4.21Å; L273-V321 HydrophobicContact CB-CG2 4.01Å; L273-V321 WeakPolarHBondContact O-CG2 3.49Å |
| 274 | I | 91.1 | Very high | 90 | Very high | 66 Ų | 66 | 40.4 Ų | 40.4 | 34% | 0.338 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -108.7 | -3.2 | -171.1 | 62.4 | 166.7 | 0 | 0 | 0 | 113.8 | R271 L272 R276 R317 E320 | R271-I274 PolarHBondContact O-N 3.47Å; L272-I274 PolarHBondContact O-N 3.33Å; I274-R276 PolarHBondContact O-N 3.11Å; I274-R317 HydrophobicContact CD1-CG 4.08Å; I274-R317 HydrophobicContact CG1-CG 4.39Å; I274-R317 HydrophobicContact CG2-CB 3.93Å; I274-R317 HydrophobicContact CG2-CG 3.9Å; I274-E320 HydrophobicContact CG2-CB 4.19Å; I274-E320 HydrophobicContact CG2-CG 4.31Å |
| 275 | E | 89.7 | Confident | 90.2 | Very high | 60 Ų | 60 | 36.7 Ų | 36.7 | 28% | 0.28 | 19% | 0.186 | S | C | . | . | trans | -71.3 | 127 | 179.3 | -176 | 172.9 | -142.1 | 0 | 0 | 110.9 | R271 S277 I278 R283 | R271-E275 IonicContact CZ-OE2 2.65Å; R271-E275 IonicContact NH1-OE1 3.28Å; R271-E275 PolarHBondContact NH1-OE1 3.49Å; R271-E275 IonicContact NH1-OE2 2.81Å; R271-E275 PolarHBondContact NH1-OE2 3.04Å; R271-E275 IonicContact NH2-OE2 3.35Å; R271-E275 WeakPolarHBondContact O-CB 3.09Å; R271-E275 PolarHBondContact O-N 3.35Å; E275-S277 WeakPolarHBondContact CG-OG 3.44Å; E275-S277 PolarHBondContact O-N 2.96Å; E275-I278 HydrophobicContact CB-CG1 3.76Å; E275-I278 HydrophobicContact CG-CG1 3.88Å; E275-I278 PolarHBondContact O-N 3.11Å; E275-I278 WeakPolarHBondContact OE2-CD1 3.43Å; E275-I278 VanDerWaalsContact OE2-CG1 3.24Å; E275-I278 WeakPolarHBondContact OE2-CG1 3.39Å; E275-R283 PolarHBondContact O-NH2 3.4Å | ||
| 276 | R | 86.4 | Confident | 90.4 | Very high | 179 Ų | 179 | 36.7 Ų | 36.7 | 68% | 0.675 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -24.4 | -171.5 | -64.3 | -178.3 | -176.8 | -98.7 | 4.8 | 114 | I274 I278 T330 L331 | I274-R276 PolarHBondContact O-N 3.11Å; R276-I278 VanDerWaalsContact C-N 3.29Å; R276-T330 PolarHBondContact NH1-O 2.69Å; R276-L331 HydrophobicContact CG-CD2 3.95Å |
| 277 | S | 84.3 | Confident | 90.5 | Very high | 83 Ų | 83 | 36 Ų | 36 | 58% | 0.58 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -22.6 | 177.1 | 48.7 | 0 | 0 | 0 | 0 | 112.9 | E275 | E275-S277 WeakPolarHBondContact CG-OG 3.44Å; E275-S277 PolarHBondContact O-N 2.96Å |
| 278 | I | 86.5 | Confident | 90.5 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -76.2 | 127.5 | -173.9 | -58.9 | -61.6 | 0 | 0 | 0 | 111.2 | D218 L272 E275 R276 A282 R283 | D218-I278 HydrophobicContact CB-CD1 3.73Å; D218-I278 VanDerWaalsContact CG-CD1 3.48Å; D218-I278 WeakPolarHBondContact OD2-CD1 3.07Å; L272-I278 HydrophobicContact CG-CD1 4.17Å; L272-I278 HydrophobicContact CG-CG1 4.21Å; E275-I278 HydrophobicContact CB-CG1 3.76Å; E275-I278 HydrophobicContact CG-CG1 3.88Å; E275-I278 PolarHBondContact O-N 3.11Å; E275-I278 WeakPolarHBondContact OE2-CD1 3.43Å; E275-I278 VanDerWaalsContact OE2-CG1 3.24Å; E275-I278 WeakPolarHBondContact OE2-CG1 3.39Å; R276-I278 VanDerWaalsContact C-N 3.29Å; I278-A282 HydrophobicContact CG2-CB 3.54Å; I278-R283 HydrophobicContact CG2-CB 4.46Å; I278-R283 PolarHBondContact O-NH1 3.41Å; I278-R283 PolarHBondContact O-NH2 3.47Å |
| 279 | G | 85.6 | Confident | 90.7 | Very high | 29 Ų | 29 | 33 Ų | 33 | 30% | 0.299 | 18% | 0.177 | S | C | . | . | trans | -69.2 | 162.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | N281 A282 R283 | G279-N281 VanDerWaalsContact C-N 3.33Å; G279-N281 PolarHBondContact O-N 3.44Å; G279-A282 PolarHBondContact O-N 3.26Å; G279-R283 PolarHBondContact O-N 3.12Å; G279-R283 VanDerWaalsContact O-N 3.14Å | ||
| 280 | A | 86.8 | Confident | 90.8 | Very high | 18 Ų | 18 | 33.1 Ų | 33.1 | 15% | 0.149 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57 | -41.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A282 R283 N284 P332 D334 | A280-A282 PolarHBondContact O-N 3.5Å; A280-R283 PolarHBondContact O-N 2.88Å; A280-N284 WeakPolarHBondContact O-CB 3.3Å; A280-N284 PolarHBondContact O-N 2.77Å; A280-N284 PolarHBondContact O-ND2 3.27Å; A280-P332 WeakPolarHBondContact CA-O 3.38Å; A280-P332 WeakPolarHBondContact CB-O 3.48Å; A280-P332 PolarHBondContact N-O 2.81Å; A280-D334 HydrophobicContact CB-CB 3.9Å |
| 281 | N | 86.8 | Confident | 90.7 | Very high | 84 Ų | 84 | 32.2 Ų | 32.2 | 45% | 0.449 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 179.8 | -70.3 | -30.4 | 0 | 0 | 0 | 112.9 | T225 G279 G285 | T225-N281 HydrophobicContact CG2-CB 4Å; G279-N281 VanDerWaalsContact C-N 3.33Å; G279-N281 PolarHBondContact O-N 3.44Å; N281-G285 PolarHBondContact O-N 2.97Å |
| 282 | A | 89.1 | Confident | 90.7 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.9 | -40.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M217 I278 G279 A280 G285 S286 | M217-A282 HydrophobicContact CB-CB 4.08Å; M217-A282 WeakPolarHBondContact CE-O 3.36Å; M217-A282 WeakPolarHBondContact O-CB 3.39Å; I278-A282 HydrophobicContact CG2-CB 3.54Å; G279-A282 PolarHBondContact O-N 3.26Å; A280-A282 PolarHBondContact O-N 3.5Å; A282-G285 PolarHBondContact O-N 2.95Å; A282-S286 PolarHBondContact O-N 2.91Å; A282-S286 PolarHBondContact O-OG 2.68Å |
| 283 | R | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.9 | -46.6 | 174.3 | -173.8 | 176.1 | -67.1 | 89.6 | 7.2 | 111.8 | L273 E275 I278 G279 A280 G285 S286 I287 P332 | L273-R283 WeakPolarHBondContact O-CD 3.48Å; L273-R283 PolarHBondContact O-NE 3.44Å; E275-R283 PolarHBondContact O-NH2 3.4Å; I278-R283 HydrophobicContact CG2-CB 4.46Å; I278-R283 PolarHBondContact O-NH1 3.41Å; I278-R283 PolarHBondContact O-NH2 3.47Å; G279-R283 PolarHBondContact O-N 3.12Å; G279-R283 VanDerWaalsContact O-N 3.14Å; A280-R283 PolarHBondContact O-N 2.88Å; R283-G285 VanDerWaalsContact C-N 3.31Å; R283-G285 PolarHBondContact O-N 3.08Å; R283-S286 WeakPolarHBondContact O-CA 3.48Å; R283-S286 WeakPolarHBondContact O-CB 3.39Å; R283-S286 PolarHBondContact O-N 2.72Å; R283-I287 HydrophobicContact CG-CD1 4.09Å; R283-I287 WeakPolarHBondContact O-CD1 3.33Å; R283-I287 WeakPolarHBondContact O-CG1 3.3Å; R283-I287 PolarHBondContact O-N 3.24Å; R283-P332 PolarHBondContact NH1-O 3.36Å |
| 284 | N | 91.3 | Very high | 90.8 | Very high | 17 Ų | 17 | 33 Ų | 33 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.1 | -41.5 | 173.8 | -81.7 | -30.9 | 0 | 0 | 0 | 112.3 | A280 S286 I287 S288 D334 T337 N340 | A280-N284 WeakPolarHBondContact O-CB 3.3Å; A280-N284 PolarHBondContact O-N 2.77Å; A280-N284 PolarHBondContact O-ND2 3.27Å; N284-S286 VanDerWaalsContact C-N 3.28Å; N284-S286 PolarHBondContact O-N 3.48Å; N284-I287 PolarHBondContact O-N 3.49Å; N284-S288 VanDerWaalsContact O-CB 3.3Å; N284-S288 WeakPolarHBondContact O-CB 3.41Å; N284-S288 PolarHBondContact O-N 2.81Å; N284-D334 PolarHBondContact ND2-OD1 2.99Å; N284-D334 PolarHBondContact ND2-OD2 3.05Å; N284-T337 PolarHBondContact ND2-OG1 2.82Å; N284-T337 WeakPolarHBondContact OD1-CA 3.47Å; N284-T337 PolarHBondContact OD1-OG1 3.35Å; N284-N340 VanDerWaalsContact CG-ND2 3.35Å; N284-N340 PolarHBondContact OD1-ND2 3.13Å |
| 285 | G | 91.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.2 | -41.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M217 N281 A282 R283 S288 L289 | M217-G285 VanDerWaalsContact CE-C 3.44Å; N281-G285 PolarHBondContact O-N 2.97Å; A282-G285 PolarHBondContact O-N 2.95Å; R283-G285 VanDerWaalsContact C-N 3.31Å; R283-G285 PolarHBondContact O-N 3.08Å; G285-S288 PolarHBondContact O-N 3.46Å; G285-L289 WeakPolarHBondContact O-CB 3.43Å; G285-L289 VanDerWaalsContact O-CG 3.3Å; G285-L289 WeakPolarHBondContact O-CG 3.49Å; G285-L289 PolarHBondContact O-N 3.31Å |
| 286 | S | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.1 | -43.7 | -179.6 | -56 | 0 | 0 | 0 | 0 | 111.1 | L272 A282 R283 N284 S288 L289 L290 | L272-S286 WeakPolarHBondContact CB-OG 3.17Å; A282-S286 PolarHBondContact O-N 2.91Å; A282-S286 PolarHBondContact O-OG 2.68Å; R283-S286 WeakPolarHBondContact O-CA 3.48Å; R283-S286 WeakPolarHBondContact O-CB 3.39Å; R283-S286 PolarHBondContact O-N 2.72Å; N284-S286 VanDerWaalsContact C-N 3.28Å; N284-S286 PolarHBondContact O-N 3.48Å; S286-S288 VanDerWaalsContact C-N 3.35Å; S286-L289 PolarHBondContact O-N 3.28Å; S286-L290 WeakPolarHBondContact O-CB 3.23Å; S286-L290 VanDerWaalsContact O-CG 3.3Å; S286-L290 WeakPolarHBondContact O-CG 3.22Å; S286-L290 PolarHBondContact O-N 3.27Å |
| 287 | I | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 174.6 | -63.1 | 156.5 | 0 | 0 | 0 | 110.7 | L273 R283 N284 L290 S291 L318 V321 T337 N340 V341 C344 | L273-I287 HydrophobicContact CD2-CD1 4.48Å; L273-I287 HydrophobicContact CD2-CG1 3.57Å; R283-I287 HydrophobicContact CG-CD1 4.09Å; R283-I287 WeakPolarHBondContact O-CD1 3.33Å; R283-I287 WeakPolarHBondContact O-CG1 3.3Å; R283-I287 PolarHBondContact O-N 3.24Å; N284-I287 PolarHBondContact O-N 3.49Å; I287-L290 PolarHBondContact O-N 3.38Å; I287-S291 WeakPolarHBondContact O-CB 3.12Å; I287-S291 PolarHBondContact O-N 2.8Å; I287-L318 HydrophobicContact CG1-CD2 4.47Å; I287-V321 HydrophobicContact CD1-CG1 4.4Å; I287-T337 HydrophobicContact CD1-CG2 4.2Å; I287-N340 HydrophobicContact CG2-CB 3.98Å; I287-N340 WeakPolarHBondContact CG2-O 3.27Å; I287-V341 HydrophobicContact CD1-CG2 3.49Å; I287-V341 VanDerWaalsContact CD1-CG2 3.49Å; I287-V341 HydrophobicContact CG1-CG2 4.26Å; I287-C344 HydrophobicContact CG2-CB 3.71Å |
| 288 | S | 92 | Very high | 90.7 | Very high | 61 Ų | 61 | 24.8 Ų | 24.8 | 43% | 0.427 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 179.1 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | N284 G285 S286 L290 S291 K292 | N284-S288 VanDerWaalsContact O-CB 3.3Å; N284-S288 WeakPolarHBondContact O-CB 3.41Å; N284-S288 PolarHBondContact O-N 2.81Å; G285-S288 PolarHBondContact O-N 3.46Å; S286-S288 VanDerWaalsContact C-N 3.35Å; S288-L290 PolarHBondContact O-N 3.29Å; S288-S291 PolarHBondContact O-N 2.98Å; S288-K292 WeakPolarHBondContact O-CB 3.49Å; S288-K292 PolarHBondContact O-N 2.95Å |
| 289 | L | 94.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 176.8 | -73.7 | 169.1 | 0 | 0 | 0 | 111.8 | M217 I229 L232 Q233 F236 L269 G285 S286 N293 | M217-L289 HydrophobicContact CE-CD1 4.34Å; M217-L289 HydrophobicContact SD-CD1 4Å; I229-L289 HydrophobicContact CG2-CD2 4.25Å; I229-L289 HydrophobicContact CG2-CG 4.2Å; L232-L289 HydrophobicContact CB-CD1 3.78Å; L232-L289 HydrophobicContact CB-CD2 4.29Å; L232-L289 HydrophobicContact CD1-CD1 3.9Å; Q233-L289 HydrophobicContact CB-CD2 3.86Å; F236-L289 HydrophobicContact CD2-CD2 4.38Å; F236-L289 HydrophobicContact CE2-CB 4.33Å; L269-L289 HydrophobicContact CD1-CB 4.06Å; L269-L289 HydrophobicContact CD1-CD1 4.48Å; L269-L289 HydrophobicContact CD2-CB 4.46Å; L269-L289 HydrophobicContact CD2-CD1 3.81Å; G285-L289 WeakPolarHBondContact O-CB 3.43Å; G285-L289 VanDerWaalsContact O-CG 3.3Å; G285-L289 WeakPolarHBondContact O-CG 3.49Å; G285-L289 PolarHBondContact O-N 3.31Å; S286-L289 PolarHBondContact O-N 3.28Å; L289-N293 WeakPolarHBondContact O-CB 3.44Å; L289-N293 PolarHBondContact O-N 2.9Å; L289-N293 PolarHBondContact O-ND2 3.11Å |
| 290 | L | 96.2 | Very high | 91 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.2 | -49.8 | 174.9 | -70.5 | 169.1 | 0 | 0 | 0 | 111.2 | I266 L269 L273 S286 I287 S288 K292 N293 L294 F309 | I266-L290 HydrophobicContact CG2-CD2 4.29Å; L269-L290 HydrophobicContact CB-CD1 4.42Å; L269-L290 HydrophobicContact CB-CD2 4.26Å; L269-L290 HydrophobicContact CB-CG 4.26Å; L269-L290 HydrophobicContact CD1-CD2 4.34Å; L269-L290 HydrophobicContact CD1-CG 4.47Å; L273-L290 HydrophobicContact CD1-CD1 3.96Å; L273-L290 HydrophobicContact CD2-CD1 4.35Å; L273-L290 HydrophobicContact CG-CD1 4.42Å; S286-L290 WeakPolarHBondContact O-CB 3.23Å; S286-L290 VanDerWaalsContact O-CG 3.3Å; S286-L290 WeakPolarHBondContact O-CG 3.22Å; S286-L290 PolarHBondContact O-N 3.27Å; I287-L290 PolarHBondContact O-N 3.38Å; S288-L290 PolarHBondContact O-N 3.29Å; L290-K292 PolarHBondContact O-N 2.8Å; L290-N293 PolarHBondContact O-N 3.26Å; L290-L294 WeakPolarHBondContact O-CB 3.41Å; L290-L294 PolarHBondContact O-N 3.17Å; L290-F309 HydrophobicContact CD1-CE2 4.27Å; L290-F309 HydrophobicContact CD1-CZ 4.2Å; L290-F309 HydrophobicContact CD2-CE2 3.99Å |
| 291 | S | 93.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.2 | -28.6 | -179.1 | -177.9 | 0 | 0 | 0 | 0 | 113.8 | I287 S288 I295 R347 | I287-S291 WeakPolarHBondContact O-CB 3.12Å; I287-S291 PolarHBondContact O-N 2.8Å; S288-S291 PolarHBondContact O-N 2.98Å; S291-I295 WeakPolarHBondContact O-CG1 3.33Å; S291-R347 PolarHBondContact O-NH1 3.28Å; S291-R347 VanDerWaalsContact OG-CD 3.25Å; S291-R347 WeakPolarHBondContact OG-CD 3.38Å; S291-R347 PolarHBondContact OG-NH1 2.87Å |
| 292 | K | 90.7 | Very high | 91.5 | Very high | 74 Ų | 74 | 21.9 Ų | 21.9 | 32% | 0.322 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -89 | -45.6 | 176.8 | -177.3 | 165.2 | 173.8 | 174.9 | 0 | 112.8 | D246 S288 L290 | D246-K292 WeakPolarHBondContact OD2-CE 3.49Å; D246-K292 IonicContact OD2-NZ 2.82Å; D246-K292 PolarHBondContact OD2-NZ 3.48Å; S288-K292 WeakPolarHBondContact O-CB 3.49Å; S288-K292 PolarHBondContact O-N 2.95Å; L290-K292 PolarHBondContact O-N 2.8Å |
| 293 | N | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -97 | -23.6 | -168.2 | -60.4 | -71.2 | 0 | 0 | 0 | 114.4 | Q233 F236 M240 L289 L290 G300 L301 | Q233-N293 PolarHBondContact NE2-OD1 3.3Å; Q233-N293 PolarHBondContact OE1-ND2 3.46Å; F236-N293 HydrophobicContact CB-CB 4.32Å; F236-N293 WeakPolarHBondContact CB-OD1 3.33Å; F236-N293 HydrophobicContact CD1-CB 3.67Å; F236-N293 HydrophobicContact CD2-CB 3.97Å; F236-N293 WeakPolarHBondContact CD2-ND2 3.25Å; F236-N293 HydrophobicContact CE1-CB 3.85Å; F236-N293 HydrophobicContact CE2-CB 4.13Å; F236-N293 HydrophobicContact CG-CB 3.73Å; F236-N293 VanDerWaalsContact CG-CG 3.49Å; F236-N293 HydrophobicContact CZ-CB 4.09Å; M240-N293 HydrophobicContact CE-CB 4.14Å; L289-N293 WeakPolarHBondContact O-CB 3.44Å; L289-N293 PolarHBondContact O-N 2.9Å; L289-N293 PolarHBondContact O-ND2 3.11Å; L290-N293 PolarHBondContact O-N 3.26Å; N293-G300 CarbonylContact O-C 3.53Å; N293-G300 WeakPolarHBondContact O-CA 3.33Å; N293-L301 WeakPolarHBondContact O-CG 3.36Å; N293-L301 PolarHBondContact O-N 2.85Å |
| 294 | L | 93.8 | Very high | 91 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -79.2 | -24.2 | 179.5 | -173.2 | 65 | 0 | 0 | 0 | 112.8 | I266 L290 L301 W305 F309 L348 | I266-L294 HydrophobicContact CD1-CD1 4.21Å; L290-L294 WeakPolarHBondContact O-CB 3.41Å; L290-L294 PolarHBondContact O-N 3.17Å; L294-L301 HydrophobicContact CD1-CD1 4.28Å; L294-W305 HydrophobicContact CD1-CB 4.24Å; L294-F309 HydrophobicContact CD1-CB 4.23Å; L294-F309 HydrophobicContact CD2-CB 3.73Å; L294-F309 HydrophobicContact CD2-CD1 3.76Å; L294-F309 HydrophobicContact CD2-CD2 3.61Å; L294-F309 HydrophobicContact CD2-CE1 4.23Å; L294-F309 HydrophobicContact CD2-CE2 4.08Å; L294-F309 HydrophobicContact CD2-CG 3.43Å; L294-F309 VanDerWaalsContact CD2-CG 3.43Å; L294-F309 HydrophobicContact CD2-CZ 4.38Å; L294-L348 HydrophobicContact CD2-CD1 4.17Å |
| 295 | I | 92.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | trans | -90 | 113.2 | -167.1 | -51.7 | -57.7 | 0 | 0 | 0 | 110.3 | S291 L297 N298 G300 R347 L348 D351 | S291-I295 WeakPolarHBondContact O-CG1 3.33Å; I295-L297 HydrophobicContact CG2-CB 4.28Å; I295-L297 PolarHBondContact O-N 3.3Å; I295-N298 HydrophobicContact CB-CB 4.27Å; I295-N298 HydrophobicContact CG2-CB 4.27Å; I295-N298 PolarHBondContact O-N 2.97Å; I295-N298 VanDerWaalsContact O-N 3.15Å; I295-G300 VanDerWaalsContact O-CA 3.28Å; I295-G300 WeakPolarHBondContact O-CA 3.49Å; I295-G300 PolarHBondContact O-N 3.06Å; I295-R347 HydrophobicContact CD1-CB 4.07Å; I295-R347 HydrophobicContact CG1-CB 3.92Å; I295-R347 HydrophobicContact CG2-CB 4.21Å; I295-L348 HydrophobicContact CD1-CB 4.24Å; I295-L348 HydrophobicContact CD1-CD1 4.15Å; I295-D351 HydrophobicContact CG2-CB 4.23Å | ||
| 296 | H | 89.7 | Confident | 91.2 | Very high | 48 Ų | 48 | 30.6 Ų | 30.6 | 22% | 0.222 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -61.7 | -42.6 | -177.6 | 176.3 | 65.9 | 0 | 0 | 0 | 112.2 | N298 N299 L301 R303 D351 | H296-N298 PolarHBondContact O-N 3.46Å; H296-N299 PolarHBondContact O-N 2.92Å; H296-L301 WeakPolarHBondContact CA-O 3.48Å; H296-L301 WeakPolarHBondContact CB-O 3.48Å; H296-R303 HydrophobicContact CB-CG 4.18Å; H296-R303 WeakPolarHBondContact CD2-CG 3.3Å; H296-D351 WeakPolarHBondContact CB-OD1 3.37Å; H296-D351 PolarHBondContact N-OD1 2.92Å; H296-D351 VanDerWaalsContact N-OD1 3.14Å; H296-D351 PolarHBondContact N-OD2 2.97Å |
| 297 | L | 85.5 | Confident | 91.1 | Very high | 96 Ų | 96 | 32.4 Ų | 32.4 | 50% | 0.503 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -57.4 | -23 | 177.7 | -72.5 | 173.4 | 0 | 0 | 0 | 114.1 | I295 N299 D350 D351 L353 | I295-L297 HydrophobicContact CG2-CB 4.28Å; I295-L297 PolarHBondContact O-N 3.3Å; L297-N299 VanDerWaalsContact C-N 3.35Å; L297-D350 HydrophobicContact CD1-CB 4.29Å; L297-D350 WeakPolarHBondContact CD1-O 3.31Å; L297-D351 WeakPolarHBondContact CG-OD1 3.47Å; L297-D351 PolarHBondContact N-OD1 3.24Å; L297-L353 HydrophobicContact CD1-CD2 4.22Å; L297-L353 HydrophobicContact CD2-CD2 4.4Å |
| 298 | N | 83.5 | Confident | 91 | Very high | 70 Ų | 70 | 37.7 Ų | 37.7 | 37% | 0.374 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -97.3 | 27.5 | 178.2 | -69.1 | -11.9 | 0 | 0 | 0 | 112.8 | I295 H296 G300 R347 | I295-N298 HydrophobicContact CB-CB 4.27Å; I295-N298 HydrophobicContact CG2-CB 4.27Å; I295-N298 PolarHBondContact O-N 2.97Å; I295-N298 VanDerWaalsContact O-N 3.15Å; H296-N298 PolarHBondContact O-N 3.46Å; N298-G300 PolarHBondContact O-N 3.16Å; N298-R347 WeakPolarHBondContact ND2-CD 3.42Å; N298-R347 PolarHBondContact ND2-NE 2.85Å |
| 299 | N | 85.8 | Confident | 91.1 | Very high | 57 Ų | 57 | 35.1 Ų | 35.1 | 31% | 0.305 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 29.7 | -172.4 | -167.9 | 42.7 | 0 | 0 | 0 | 112.2 | R241 D246 V248 V250 H296 L297 | R241-N299 PolarHBondContact NH2-O 3.4Å; D246-N299 PolarHBondContact O-ND2 3.45Å; V248-N299 PolarHBondContact O-ND2 2.99Å; V248-N299 VanDerWaalsContact O-ND2 3.07Å; V250-N299 WeakPolarHBondContact CG2-O 3.42Å; H296-N299 PolarHBondContact O-N 2.92Å; L297-N299 VanDerWaalsContact C-N 3.35Å |
| 300 | G | 91.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | trans | -85.2 | -156.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V250 N293 I295 N298 | V250-G300 WeakPolarHBondContact CG2-O 3.44Å; N293-G300 CarbonylContact O-C 3.53Å; N293-G300 WeakPolarHBondContact O-CA 3.33Å; I295-G300 VanDerWaalsContact O-CA 3.28Å; I295-G300 WeakPolarHBondContact O-CA 3.49Å; I295-G300 PolarHBondContact O-N 3.06Å; N298-G300 PolarHBondContact O-N 3.16Å | ||
| 301 | L | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -52.6 | 151 | 179.7 | -76 | 165.8 | 0 | 0 | 0 | 112.2 | M240 V255 L262 I266 N293 L294 H296 W305 | M240-L301 HydrophobicContact CG-CD2 3.85Å; M240-L301 HydrophobicContact SD-CB 4.39Å; M240-L301 HydrophobicContact SD-CD2 3.47Å; M240-L301 WeakPolarHBondContact SD-CD2 3.46Å; M240-L301 HydrophobicContact SD-CG 3.61Å; V255-L301 HydrophobicContact CG1-CD2 3.99Å; V255-L301 HydrophobicContact CG2-CD2 4.48Å; L262-L301 HydrophobicContact CD1-CD2 3.84Å; L262-L301 HydrophobicContact CD2-CD2 4.28Å; I266-L301 HydrophobicContact CD1-CD1 3.56Å; N293-L301 WeakPolarHBondContact O-CG 3.36Å; N293-L301 PolarHBondContact O-N 2.85Å; L294-L301 HydrophobicContact CD1-CD1 4.28Å; H296-L301 WeakPolarHBondContact CA-O 3.48Å; H296-L301 WeakPolarHBondContact CB-O 3.48Å; L301-W305 HydrophobicContact CB-CB 3.85Å; L301-W305 HydrophobicContact CB-CD2 4.42Å; L301-W305 HydrophobicContact CB-CG 3.89Å; L301-W305 HydrophobicContact CD1-CB 4.17Å; L301-W305 HydrophobicContact CD1-CD2 3.95Å; L301-W305 HydrophobicContact CD1-CE3 3.8Å; L301-W305 HydrophobicContact CD1-CG 4.15Å; L301-W305 HydrophobicContact CD1-CZ3 4.43Å; L301-W305 HydrophobicContact CD2-CD2 4.25Å; L301-W305 HydrophobicContact CG-CD2 4.45Å; L301-W305 HydrophobicContact CG-CG 4.42Å |
| 302 | P | 90.9 | Very high | 90.8 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 10% | 0.104 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 159.6 | 178.3 | -24 | 34.8 | 0 | 0 | 0 | 112.8 | V250 E252 V255 G304 W305 | V250-P302 HydrophobicContact CG1-CG 4.2Å; E252-P302 HydrophobicContact CG-CB 4.3Å; E252-P302 HydrophobicContact CG-CG 4.03Å; V255-P302 HydrophobicContact CB-CG 4.15Å; V255-P302 HydrophobicContact CG1-CG 3.92Å; V255-P302 HydrophobicContact CG2-CG 4.11Å; P302-G304 PolarHBondContact O-N 3.01Å; P302-W305 VanDerWaalsContact O-CD1 3.3Å; P302-W305 PolarHBondContact O-N 3.46Å |
| 303 | R | 84.8 | Confident | 90.9 | Very high | 148 Ų | 148 | 42.3 Ų | 42.3 | 56% | 0.558 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 139.3 | 178 | -69.8 | -177 | -87.1 | -144.2 | -5.1 | 111 | H296 W307 | H296-R303 HydrophobicContact CB-CG 4.18Å; H296-R303 WeakPolarHBondContact CD2-CG 3.3Å; R303-W307 HydrophobicContact CB-CH2 4.19Å; R303-W307 HydrophobicContact CB-CZ2 4.29Å |
| 304 | G | 86.9 | Confident | 90.9 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 19% | 0.186 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 103.8 | -30 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P302 W307 K308 | P302-G304 PolarHBondContact O-N 3.01Å; G304-W307 WeakPolarHBondContact O-CB 3.22Å; G304-W307 PolarHBondContact O-N 3.39Å; G304-K308 WeakPolarHBondContact O-CB 3.47Å; G304-K308 WeakPolarHBondContact O-CG 3.37Å; G304-K308 PolarHBondContact O-N 3.21Å |
| 305 | W | 93.7 | Very high | 91.1 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 15% | 0.152 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.4 | -47.2 | 178.3 | -77.1 | 80.6 | 0 | 0 | 0 | 112.4 | V255 K259 L262 V263 I266 L294 L301 P302 W307 K308 F309 | V255-W305 HydrophobicContact CG1-CZ2 3.93Å; K259-W305 HydrophobicContact CB-CH2 4.45Å; K259-W305 HydrophobicContact CB-CZ2 4.39Å; K259-W305 HydrophobicContact CG-CH2 3.86Å; K259-W305 HydrophobicContact CG-CZ2 3.86Å; L262-W305 HydrophobicContact CB-CH2 3.63Å; L262-W305 HydrophobicContact CB-CZ2 4.49Å; L262-W305 HydrophobicContact CB-CZ3 3.97Å; L262-W305 HydrophobicContact CD1-CH2 4.39Å; L262-W305 HydrophobicContact CD1-CZ2 4.48Å; V263-W305 HydrophobicContact CG2-CH2 3.78Å; V263-W305 HydrophobicContact CG2-CZ3 3.67Å; I266-W305 HydrophobicContact CD1-CE3 3.62Å; I266-W305 HydrophobicContact CD1-CZ3 3.73Å; L294-W305 HydrophobicContact CD1-CB 4.24Å; L301-W305 HydrophobicContact CB-CB 3.85Å; L301-W305 HydrophobicContact CB-CD2 4.42Å; L301-W305 HydrophobicContact CB-CG 3.89Å; L301-W305 HydrophobicContact CD1-CB 4.17Å; L301-W305 HydrophobicContact CD1-CD2 3.95Å; L301-W305 HydrophobicContact CD1-CE3 3.8Å; L301-W305 HydrophobicContact CD1-CG 4.15Å; L301-W305 HydrophobicContact CD1-CZ3 4.43Å; L301-W305 HydrophobicContact CD2-CD2 4.25Å; L301-W305 HydrophobicContact CG-CD2 4.45Å; L301-W305 HydrophobicContact CG-CG 4.42Å; P302-W305 VanDerWaalsContact O-CD1 3.3Å; P302-W305 PolarHBondContact O-N 3.46Å; W305-W307 VanDerWaalsContact C-N 3.29Å; W305-W307 PolarHBondContact O-N 3.36Å; W305-K308 PolarHBondContact O-N 3.4Å; W305-F309 WeakPolarHBondContact O-CB 3.46Å; W305-F309 PolarHBondContact O-N 2.99Å |
| 306 | S | 93.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.5 | -38.4 | 172.4 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | F309 V310 D351 | S306-F309 WeakPolarHBondContact O-CB 3.3Å; S306-F309 PolarHBondContact O-N 3.35Å; S306-V310 WeakPolarHBondContact O-CG2 3.49Å; S306-V310 PolarHBondContact O-N 2.84Å; S306-V310 VanDerWaalsContact O-N 3.09Å; S306-D351 WeakPolarHBondContact CB-OD2 3.41Å; S306-D351 PolarHBondContact OG-OD2 2.92Å |
| 307 | W | 92.8 | Very high | 91.5 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 14% | 0.14 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.3 | -45.4 | 177.4 | -53.6 | -13.3 | 0 | 0 | 0 | 111.4 | R303 G304 W305 F309 V310 E311 D351 M352 F354 W357 | R303-W307 HydrophobicContact CB-CH2 4.19Å; R303-W307 HydrophobicContact CB-CZ2 4.29Å; G304-W307 WeakPolarHBondContact O-CB 3.22Å; G304-W307 PolarHBondContact O-N 3.39Å; W305-W307 VanDerWaalsContact C-N 3.29Å; W305-W307 PolarHBondContact O-N 3.36Å; W307-F309 VanDerWaalsContact C-N 3.26Å; W307-F309 PolarHBondContact O-N 2.94Å; W307-V310 PolarHBondContact O-N 3.43Å; W307-V310 VanDerWaalsContact O-N 3.14Å; W307-E311 WeakPolarHBondContact O-CB 3.39Å; W307-E311 PolarHBondContact O-N 2.95Å; W307-D351 PolarHBondContact NE1-O 3.4Å; W307-M352 VanDerWaalsContact CD1-CE 3.49Å; W307-M352 HydrophobicContact CG-SD 4.44Å; W307-F354 AromaticContact CH2-CD2 4Å; W307-F354 HydrophobicContact CH2-CD2 4Å; W307-F354 AromaticContact CH2-CE2 3.66Å; W307-F354 HydrophobicContact CH2-CE2 3.66Å; W307-F354 AromaticContact CZ2-CD2 3.97Å; W307-F354 HydrophobicContact CZ2-CD2 3.97Å; W307-F354 AromaticContact CZ2-CE2 3.89Å; W307-F354 HydrophobicContact CZ2-CE2 3.89Å; W307-W357 HydrophobicContact CB-CD2 3.93Å; W307-W357 HydrophobicContact CB-CE3 3.79Å; W307-W357 HydrophobicContact CB-CH2 3.82Å; W307-W357 HydrophobicContact CB-CZ2 3.93Å; W307-W357 HydrophobicContact CB-CZ3 3.74Å; W307-W357 AromaticContact CD2-CD1 3.85Å; W307-W357 HydrophobicContact CD2-CD2 4.01Å; W307-W357 AromaticContact CD2-CE2 3.6Å; W307-W357 HydrophobicContact CD2-CG 4.18Å; W307-W357 HydrophobicContact CD2-CZ2 4.06Å; W307-W357 AromaticContact CD2-NE1 3.47Å; W307-W357 AromaticContact CE2-CD1 3.94Å; W307-W357 AromaticContact CE2-NE1 3.95Å; W307-W357 HydrophobicContact CE3-CD2 4.3Å; W307-W357 AromaticContact CE3-CE2 3.42Å; W307-W357 VanDerWaalsContact CE3-CE2 3.42Å; W307-W357 AromaticContact CE3-CZ2 3.58Å; W307-W357 HydrophobicContact CE3-CZ2 3.58Å; W307-W357 AromaticContact CE3-NE1 3.24Å; W307-W357 AromaticContact CG-CD2 3.85Å; W307-W357 HydrophobicContact CG-CD2 3.85Å; W307-W357 AromaticContact CG-CE2 3.86Å; W307-W357 HydrophobicContact CG-CE3 4.19Å; W307-W357 HydrophobicContact CG-CG 4.2Å; W307-W357 HydrophobicContact CG-CZ2 4.24Å; W307-W357 HydrophobicContact CZ3-CZ2 4.45Å; W307-W357 AromaticContact CZ3-NE1 3.58Å |
| 308 | K | 92.4 | Very high | 92 | Very high | 111 Ų | 111 | 38.9 Ų | 38.9 | 48% | 0.483 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.6 | -33.6 | 173.3 | -70.7 | -52.7 | -176 | -178.5 | 0 | 112.1 | G304 W305 V310 E311 N312 | G304-K308 WeakPolarHBondContact O-CB 3.47Å; G304-K308 WeakPolarHBondContact O-CG 3.37Å; G304-K308 PolarHBondContact O-N 3.21Å; W305-K308 PolarHBondContact O-N 3.4Å; K308-V310 VanDerWaalsContact C-N 3.35Å; K308-E311 WeakPolarHBondContact CD-OE2 3.5Å; K308-E311 WeakPolarHBondContact CE-OE2 3.48Å; K308-E311 IonicContact NZ-OE1 3.75Å; K308-E311 IonicContact NZ-OE2 2.7Å; K308-E311 PolarHBondContact NZ-OE2 3.01Å; K308-N312 WeakPolarHBondContact O-CB 3.33Å; K308-N312 PolarHBondContact O-N 3.08Å; K308-N312 PolarHBondContact O-ND2 3.36Å |
| 309 | F | 94.9 | Very high | 92.6 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 173.8 | -176.1 | -85.7 | 0 | 0 | 0 | 112.2 | I266 K270 L290 L294 W305 S306 W307 G314 L318 L348 | I266-F309 HydrophobicContact CG2-CD2 4.05Å; I266-F309 HydrophobicContact CG2-CE2 4.31Å; K270-F309 HydrophobicContact CD-CD2 3.97Å; K270-F309 HydrophobicContact CD-CE2 3.59Å; K270-F309 HydrophobicContact CD-CZ 4.36Å; K270-F309 HydrophobicContact CG-CD2 4.29Å; K270-F309 HydrophobicContact CG-CE2 3.47Å; K270-F309 VanDerWaalsContact CG-CE2 3.47Å; K270-F309 HydrophobicContact CG-CZ 4.16Å; L290-F309 HydrophobicContact CD1-CE2 4.27Å; L290-F309 HydrophobicContact CD1-CZ 4.2Å; L290-F309 HydrophobicContact CD2-CE2 3.99Å; L294-F309 HydrophobicContact CD1-CB 4.23Å; L294-F309 HydrophobicContact CD2-CB 3.73Å; L294-F309 HydrophobicContact CD2-CD1 3.76Å; L294-F309 HydrophobicContact CD2-CD2 3.61Å; L294-F309 HydrophobicContact CD2-CE1 4.23Å; L294-F309 HydrophobicContact CD2-CE2 4.08Å; L294-F309 HydrophobicContact CD2-CG 3.43Å; L294-F309 VanDerWaalsContact CD2-CG 3.43Å; L294-F309 HydrophobicContact CD2-CZ 4.38Å; W305-F309 WeakPolarHBondContact O-CB 3.46Å; W305-F309 PolarHBondContact O-N 2.99Å; S306-F309 WeakPolarHBondContact O-CB 3.3Å; S306-F309 PolarHBondContact O-N 3.35Å; W307-F309 VanDerWaalsContact C-N 3.26Å; W307-F309 PolarHBondContact O-N 2.94Å; F309-G314 VanDerWaalsContact CE1-CA 3.42Å; F309-G314 WeakPolarHBondContact CE1-O 3.38Å; F309-G314 VanDerWaalsContact O-CA 3.26Å; F309-G314 WeakPolarHBondContact O-CA 3.35Å; F309-G314 PolarHBondContact O-N 2.93Å; F309-G314 VanDerWaalsContact O-N 3.09Å; F309-L318 HydrophobicContact CE1-CD1 3.82Å; F309-L318 HydrophobicContact CE1-CG 4.4Å; F309-L318 HydrophobicContact CZ-CD1 4.23Å; F309-L318 HydrophobicContact CZ-CG 4.48Å; F309-L348 HydrophobicContact CD1-CD1 4.42Å; F309-L348 HydrophobicContact CD1-CD2 3.93Å; F309-L348 HydrophobicContact CE1-CD2 4.08Å |
| 310 | V | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -73.2 | -40.5 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 112.8 | S306 W307 K308 N312 L315 L348 M352 Y361 | S306-V310 WeakPolarHBondContact O-CG2 3.49Å; S306-V310 PolarHBondContact O-N 2.84Å; S306-V310 VanDerWaalsContact O-N 3.09Å; W307-V310 PolarHBondContact O-N 3.43Å; W307-V310 VanDerWaalsContact O-N 3.14Å; K308-V310 VanDerWaalsContact C-N 3.35Å; V310-N312 VanDerWaalsContact C-N 3.3Å; V310-N312 VanDerWaalsContact O-O 3.13Å; V310-L315 HydrophobicContact CG1-CD2 3.91Å; V310-L348 HydrophobicContact CG2-CD1 3.89Å; V310-L348 HydrophobicContact CG2-CD2 3.6Å; V310-L348 HydrophobicContact CG2-CG 3.65Å; V310-M352 HydrophobicContact CG2-CE 3.83Å; V310-M352 HydrophobicContact CG2-SD 4.3Å; V310-Y361 HydrophobicContact CG1-CD2 4.12Å; V310-Y361 HydrophobicContact CG2-CD2 3.93Å; V310-Y361 HydrophobicContact CG2-CE2 4.39Å |
| 311 | E | 91.7 | Very high | 93.1 | Very high | 85 Ų | 85 | 35.5 Ų | 35.5 | 40% | 0.397 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64 | -38.1 | 177.9 | -174.6 | -179.6 | -145.9 | 0 | 0 | 111.4 | W307 K308 L360 | W307-E311 WeakPolarHBondContact O-CB 3.39Å; W307-E311 PolarHBondContact O-N 2.95Å; K308-E311 WeakPolarHBondContact CD-OE2 3.5Å; K308-E311 WeakPolarHBondContact CE-OE2 3.48Å; K308-E311 IonicContact NZ-OE1 3.75Å; K308-E311 IonicContact NZ-OE2 2.7Å; K308-E311 PolarHBondContact NZ-OE2 3.01Å; E311-L360 HydrophobicContact CB-CD2 4.28Å |
| 312 | N | 91.6 | Very high | 93 | Very high | 84 Ų | 84 | 35.6 Ų | 35.6 | 45% | 0.449 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -158.7 | 172.8 | -65.6 | -37.5 | 0 | 0 | 0 | 111.1 | K308 V310 G314 E316 R364 | K308-N312 WeakPolarHBondContact O-CB 3.33Å; K308-N312 PolarHBondContact O-N 3.08Å; K308-N312 PolarHBondContact O-ND2 3.36Å; V310-N312 VanDerWaalsContact C-N 3.3Å; V310-N312 VanDerWaalsContact O-O 3.13Å; N312-G314 VanDerWaalsContact C-N 3.3Å; N312-G314 PolarHBondContact O-N 3.44Å; N312-E316 VanDerWaalsContact O-OE2 3.11Å; N312-R364 PolarHBondContact O-NH2 3.32Å |
| 313 | D | 93.1 | Very high | 93 | Very high | 63 Ų | 63 | 34.9 Ų | 34.9 | 34% | 0.337 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 10.2 | -178.4 | 63.2 | -5.1 | 0 | 0 | 0 | 114.7 | K270 E316 R317 | K270-D313 IonicContact NZ-OD1 2.78Å; K270-D313 PolarHBondContact NZ-OD1 3.45Å; D313-E316 VanDerWaalsContact CA-OE2 3.31Å; D313-E316 WeakPolarHBondContact CA-OE2 3.38Å; D313-R317 WeakPolarHBondContact O-CG 3.34Å; D313-R317 PolarHBondContact O-N 3Å; D313-R317 IonicContact OD1-CZ 2.6Å; D313-R317 IonicContact OD1-NH1 3.35Å; D313-R317 PolarHBondContact OD1-NH1 3Å; D313-R317 IonicContact OD2-CZ 3.52Å; D313-R317 IonicContact OD2-NH1 3.64Å; D313-R317 PolarHBondContact OD2-NH1 3.04Å; D313-R317 IonicContact OD2-NH2 3.81Å; D313-R317 PolarHBondContact OD2-NH2 2.63Å |
| 314 | G | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.4 | -44.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F309 N312 R317 L318 | F309-G314 VanDerWaalsContact CE1-CA 3.42Å; F309-G314 WeakPolarHBondContact CE1-O 3.38Å; F309-G314 VanDerWaalsContact O-CA 3.26Å; F309-G314 WeakPolarHBondContact O-CA 3.35Å; F309-G314 PolarHBondContact O-N 2.93Å; F309-G314 VanDerWaalsContact O-N 3.09Å; N312-G314 VanDerWaalsContact C-N 3.3Å; N312-G314 PolarHBondContact O-N 3.44Å; G314-R317 PolarHBondContact O-N 3.2Å; G314-L318 PolarHBondContact O-N 2.79Å |
| 315 | L | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 177.8 | 178.2 | 57.3 | 0 | 0 | 0 | 111.4 | V310 R317 L318 L319 L345 L348 Y361 R364 V365 | V310-L315 HydrophobicContact CG1-CD2 3.91Å; L315-R317 VanDerWaalsContact C-N 3.26Å; L315-R317 PolarHBondContact O-N 3.25Å; L315-L318 PolarHBondContact O-N 2.96Å; L315-L318 VanDerWaalsContact O-N 3.13Å; L315-L319 HydrophobicContact CD1-CG 4.32Å; L315-L319 HydrophobicContact CG-CD1 4.21Å; L315-L319 HydrophobicContact CG-CG 4.46Å; L315-L319 WeakPolarHBondContact O-CG 3.22Å; L315-L319 PolarHBondContact O-N 3.31Å; L315-L345 HydrophobicContact CD1-CD2 3.61Å; L315-L348 HydrophobicContact CD1-CD2 4.34Å; L315-Y361 HydrophobicContact CD1-CD2 4.39Å; L315-Y361 HydrophobicContact CD1-CE1 4.45Å; L315-Y361 HydrophobicContact CD1-CE2 3.67Å; L315-Y361 HydrophobicContact CD2-CD1 4.33Å; L315-Y361 HydrophobicContact CD2-CD2 3.82Å; L315-Y361 HydrophobicContact CD2-CE1 4.42Å; L315-Y361 HydrophobicContact CD2-CE2 3.94Å; L315-Y361 HydrophobicContact CD2-CG 4.03Å; L315-Y361 HydrophobicContact CG-CE2 4.47Å; L315-R364 HydrophobicContact CD2-CB 3.91Å; L315-V365 HydrophobicContact CD2-CG2 4.12Å |
| 316 | E | 95.6 | Very high | 91.7 | Very high | 31 Ų | 31 | 28.4 Ų | 28.4 | 15% | 0.145 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.1 | -37.7 | 177.4 | -71.7 | 69.6 | -155.5 | 0 | 0 | 112.2 | N312 D313 L319 E320 R364 Y368 | N312-E316 VanDerWaalsContact O-OE2 3.11Å; D313-E316 VanDerWaalsContact CA-OE2 3.31Å; D313-E316 WeakPolarHBondContact CA-OE2 3.38Å; E316-L319 PolarHBondContact O-N 2.9Å; E316-E320 PolarHBondContact O-N 3.4Å; E316-R364 VanDerWaalsContact CD-CZ 3.43Å; E316-R364 IonicContact OE1-CZ 2.63Å; E316-R364 IonicContact OE1-NE 2.74Å; E316-R364 PolarHBondContact OE1-NE 3.01Å; E316-R364 IonicContact OE1-NH1 2.74Å; E316-R364 IonicContact OE1-NH2 3.3Å; E316-R364 PolarHBondContact OE1-NH2 3.34Å; E316-R364 IonicContact OE2-CZ 2.75Å; E316-R364 IonicContact OE2-NE 2.81Å; E316-R364 IonicContact OE2-NH2 3.77Å; E316-R364 PolarHBondContact OE2-NH2 2.98Å; E316-Y368 HydrophobicContact CB-CD2 4.12Å; E316-Y368 HydrophobicContact CB-CE2 4.36Å; E316-Y368 HydrophobicContact CG-CD2 3.9Å |
| 317 | R | 95.3 | Very high | 90.8 | Very high | 47 Ų | 47 | 34.3 Ų | 34.3 | 18% | 0.177 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.2 | -42.5 | 176.2 | -75.4 | -161 | -177.8 | 90.8 | 7.1 | 112.1 | K270 L273 I274 D313 G314 L315 L319 E320 V321 | K270-R317 WeakPolarHBondContact O-CD 3.25Å; L273-R317 HydrophobicContact CB-CB 4.42Å; L273-R317 HydrophobicContact CD1-CB 4.02Å; I274-R317 HydrophobicContact CD1-CG 4.08Å; I274-R317 HydrophobicContact CG1-CG 4.39Å; I274-R317 HydrophobicContact CG2-CB 3.93Å; I274-R317 HydrophobicContact CG2-CG 3.9Å; D313-R317 WeakPolarHBondContact O-CG 3.34Å; D313-R317 PolarHBondContact O-N 3Å; D313-R317 IonicContact OD1-CZ 2.6Å; D313-R317 IonicContact OD1-NH1 3.35Å; D313-R317 PolarHBondContact OD1-NH1 3Å; D313-R317 IonicContact OD2-CZ 3.52Å; D313-R317 IonicContact OD2-NH1 3.64Å; D313-R317 PolarHBondContact OD2-NH1 3.04Å; D313-R317 IonicContact OD2-NH2 3.81Å; D313-R317 PolarHBondContact OD2-NH2 2.63Å; G314-R317 PolarHBondContact O-N 3.2Å; L315-R317 VanDerWaalsContact C-N 3.26Å; L315-R317 PolarHBondContact O-N 3.25Å; R317-L319 VanDerWaalsContact C-N 3.31Å; R317-E320 PolarHBondContact O-N 2.58Å; R317-V321 WeakPolarHBondContact O-CG2 3.07Å; R317-V321 PolarHBondContact O-N 3.16Å; R317-V321 VanDerWaalsContact O-N 3.09Å |
| 318 | L | 96.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -38.5 | 173.9 | -70.4 | 174.3 | 0 | 0 | 0 | 111.6 | L273 I287 F309 G314 L315 V321 S322 L345 L348 | L273-L318 HydrophobicContact CD1-CD2 3.81Å; L273-L318 HydrophobicContact CD1-CG 4.18Å; L273-L318 HydrophobicContact CD2-CD2 4.21Å; I287-L318 HydrophobicContact CG1-CD2 4.47Å; F309-L318 HydrophobicContact CE1-CD1 3.82Å; F309-L318 HydrophobicContact CE1-CG 4.4Å; F309-L318 HydrophobicContact CZ-CD1 4.23Å; F309-L318 HydrophobicContact CZ-CG 4.48Å; G314-L318 PolarHBondContact O-N 2.79Å; L315-L318 PolarHBondContact O-N 2.96Å; L315-L318 VanDerWaalsContact O-N 3.13Å; L318-V321 PolarHBondContact O-N 3.32Å; L318-S322 PolarHBondContact O-N 3.22Å; L318-L345 HydrophobicContact CB-CD2 3.84Å; L318-L345 HydrophobicContact CD1-CD2 4.14Å; L318-L348 HydrophobicContact CD1-CD2 4.21Å |
| 319 | L | 95.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 174.8 | -66.5 | 173.7 | 0 | 0 | 0 | 112 | L315 E316 R317 V321 S322 C323 V365 Y368 M387 L391 | L315-L319 HydrophobicContact CD1-CG 4.32Å; L315-L319 HydrophobicContact CG-CD1 4.21Å; L315-L319 HydrophobicContact CG-CG 4.46Å; L315-L319 WeakPolarHBondContact O-CG 3.22Å; L315-L319 PolarHBondContact O-N 3.31Å; E316-L319 PolarHBondContact O-N 2.9Å; R317-L319 VanDerWaalsContact C-N 3.31Å; L319-V321 VanDerWaalsContact C-N 3.32Å; L319-V321 PolarHBondContact O-N 3.48Å; L319-S322 WeakPolarHBondContact CA-OG 3.49Å; L319-S322 WeakPolarHBondContact O-CB 3.46Å; L319-S322 PolarHBondContact O-N 3.43Å; L319-S322 VanDerWaalsContact O-N 3.08Å; L319-S322 PolarHBondContact O-OG 3.34Å; L319-C323 PolarHBondContact O-N 3.14Å; L319-C323 PolarHBondContact O-SG 2.87Å; L319-V365 HydrophobicContact CD1-CG2 4.07Å; L319-V365 HydrophobicContact CD2-CG2 4.4Å; L319-Y368 HydrophobicContact CB-CD1 3.96Å; L319-Y368 HydrophobicContact CB-CE1 3.77Å; L319-Y368 HydrophobicContact CB-CE2 4.36Å; L319-Y368 HydrophobicContact CB-CG 4.34Å; L319-Y368 HydrophobicContact CD1-CD1 3.86Å; L319-Y368 HydrophobicContact CD1-CD2 4.42Å; L319-Y368 HydrophobicContact CD1-CG 3.8Å; L319-M387 HydrophobicContact CB-SD 4.4Å; L319-M387 HydrophobicContact CD2-CG 4.34Å; L319-M387 HydrophobicContact CD2-SD 4.23Å; L319-L391 HydrophobicContact CD2-CD1 4.48Å; L319-L391 HydrophobicContact CD2-CD2 4.16Å |
| 320 | E | 93.6 | Very high | 87.7 | Confident | 56 Ų | 56 | 37.5 Ų | 37.5 | 26% | 0.262 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.5 | -36.1 | 175.3 | -173.3 | 66.8 | -144.6 | 0 | 0 | 111.7 | I274 E316 R317 S322 C323 Y368 K372 | I274-E320 HydrophobicContact CG2-CB 4.19Å; I274-E320 HydrophobicContact CG2-CG 4.31Å; E316-E320 PolarHBondContact O-N 3.4Å; R317-E320 PolarHBondContact O-N 2.58Å; E320-S322 VanDerWaalsContact C-N 3.35Å; E320-C323 WeakPolarHBondContact O-CB 3.26Å; E320-C323 PolarHBondContact O-N 3.07Å; E320-Y368 VanDerWaalsContact CA-OH 3.24Å; E320-Y368 WeakPolarHBondContact CA-OH 3.21Å; E320-Y368 WeakPolarHBondContact CB-OH 3.43Å; E320-Y368 PolarHBondContact N-OH 3.03Å; E320-Y368 PolarHBondContact OE2-OH 3.41Å; E320-K372 IonicContact OE1-NZ 3.38Å; E320-K372 PolarHBondContact OE1-NZ 3.19Å; E320-K372 IonicContact OE2-NZ 3.7Å; E320-K372 PolarHBondContact OE2-NZ 2.97Å |
| 321 | V | 93.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -39.9 | 170.5 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | L273 I287 R317 L318 L319 C323 S324 T337 V341 | L273-V321 HydrophobicContact CB-CG2 4.01Å; L273-V321 WeakPolarHBondContact O-CG2 3.49Å; I287-V321 HydrophobicContact CD1-CG1 4.4Å; R317-V321 WeakPolarHBondContact O-CG2 3.07Å; R317-V321 PolarHBondContact O-N 3.16Å; R317-V321 VanDerWaalsContact O-N 3.09Å; L318-V321 PolarHBondContact O-N 3.32Å; L319-V321 VanDerWaalsContact C-N 3.32Å; L319-V321 PolarHBondContact O-N 3.48Å; V321-C323 PolarHBondContact O-N 3.4Å; V321-S324 VanDerWaalsContact O-CB 3.22Å; V321-S324 WeakPolarHBondContact O-CB 3.43Å; V321-S324 PolarHBondContact O-N 3.07Å; V321-S324 PolarHBondContact O-OG 2.84Å; V321-T337 HydrophobicContact CG1-CG2 3.9Å; V321-V341 HydrophobicContact CB-CG2 4.24Å; V321-V341 HydrophobicContact CG1-CG2 3.7Å |
| 322 | S | 92.4 | Very high | 86.8 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.3 | -23.1 | 177.4 | 79.8 | 0 | 0 | 0 | 0 | 113.8 | L318 L319 E320 S324 S386 M387 | L318-S322 PolarHBondContact O-N 3.22Å; L319-S322 WeakPolarHBondContact CA-OG 3.49Å; L319-S322 WeakPolarHBondContact O-CB 3.46Å; L319-S322 PolarHBondContact O-N 3.43Å; L319-S322 VanDerWaalsContact O-N 3.08Å; L319-S322 PolarHBondContact O-OG 3.34Å; E320-S322 VanDerWaalsContact C-N 3.35Å; S322-S324 PolarHBondContact O-N 2.99Å; S322-S386 CarbonylContact O-C 3.32Å; S322-S386 VanDerWaalsContact O-C 3.28Å; S322-M387 WeakPolarHBondContact O-CA 3.47Å; S322-M387 PolarHBondContact O-N 2.74Å; S322-M387 WeakPolarHBondContact OG-CB 3.26Å; S322-M387 VanDerWaalsContact OG-CG 3.23Å; S322-M387 WeakPolarHBondContact OG-CG 3.28Å |
| 323 | C | 90.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -18.1 | 172 | -72.1 | 0 | 0 | 0 | 0 | 113 | L319 E320 V321 Q383 | L319-C323 PolarHBondContact O-N 3.14Å; L319-C323 PolarHBondContact O-SG 2.87Å; E320-C323 WeakPolarHBondContact O-CB 3.26Å; E320-C323 PolarHBondContact O-N 3.07Å; V321-C323 PolarHBondContact O-N 3.4Å; C323-Q383 WeakPolarHBondContact CA-O 3.26Å; C323-Q383 HydrophobicContact CB-CB 3.98Å; C323-Q383 HydrophobicContact CB-CG 4.42Å; C323-Q383 WeakPolarHBondContact O-CA 3.28Å; C323-Q383 WeakPolarHBondContact O-CG 3.34Å |
| 324 | S | 83.9 | Confident | 85.9 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | trans | -65.3 | 140.4 | -179 | 69.2 | 0 | 0 | 0 | 0 | 111.4 | V321 S322 V333 | V321-S324 VanDerWaalsContact O-CB 3.22Å; V321-S324 WeakPolarHBondContact O-CB 3.43Å; V321-S324 PolarHBondContact O-N 3.07Å; V321-S324 PolarHBondContact O-OG 2.84Å; S322-S324 PolarHBondContact O-N 2.99Å; S324-V333 WeakPolarHBondContact OG-CG1 3.45Å | ||
| 325 | N | 79.6 | Confident | 84.8 | Confident | 16 Ų | 16 | 37.3 Ų | 37.3 | 9% | 0.086 | 19% | 0.188 | C | C | . | . | trans | -128.3 | 125.8 | 175.1 | -168.6 | -62.2 | 0 | 0 | 0 | 107.8 | R327 L328 M329 I382 S386 | N325-R327 PolarHBondContact O-N 3.21Å; N325-R327 WeakPolarHBondContact OD1-CB 3.41Å; N325-R327 PolarHBondContact OD1-N 3.28Å; N325-L328 HydrophobicContact CB-CB 4.24Å; N325-L328 HydrophobicContact CB-CD1 4.09Å; N325-L328 HydrophobicContact CB-CG 4.11Å; N325-L328 PolarHBondContact O-N 2.94Å; N325-M329 PolarHBondContact O-N 3.08Å; N325-M329 VanDerWaalsContact O-N 3.16Å; N325-I382 HydrophobicContact CB-CG2 4.41Å; N325-S386 PolarHBondContact ND2-OG 3.39Å | ||
| 326 | P | 73.1 | Confident | 84 | Confident | 46 Ų | 46 | 42 Ų | 42 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -31 | -179.9 | -27.7 | 33 | 0 | 0 | 0 | 113.4 | M329 V333 | P326-M329 WeakPolarHBondContact O-CG 3.48Å; P326-V333 HydrophobicContact CG-CG2 4.08Å |
| 327 | R | 75.1 | Confident | 83.6 | Confident | 126 Ų | 126 | 40.6 Ų | 40.6 | 48% | 0.475 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -21.1 | -178.6 | -61.9 | 173.2 | 176.9 | -177.3 | -1 | 114.2 | N325 L422 | N325-R327 PolarHBondContact O-N 3.21Å; N325-R327 WeakPolarHBondContact OD1-CB 3.41Å; N325-R327 PolarHBondContact OD1-N 3.28Å; R327-L422 HydrophobicContact CB-CD1 4.15Å; R327-L422 HydrophobicContact CB-CD2 4.24Å; R327-L422 HydrophobicContact CG-CD1 4.38Å |
| 328 | L | 72.8 | Confident | 83.2 | Confident | 48 Ų | 48 | 41.5 Ų | 41.5 | 25% | 0.251 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -19.5 | 174.8 | -66.2 | 177.9 | 0 | 0 | 0 | 112.5 | N325 T330 E379 I382 Q383 L422 | N325-L328 HydrophobicContact CB-CB 4.24Å; N325-L328 HydrophobicContact CB-CD1 4.09Å; N325-L328 HydrophobicContact CB-CG 4.11Å; N325-L328 PolarHBondContact O-N 2.94Å; L328-T330 HydrophobicContact CB-CG2 4.13Å; L328-T330 PolarHBondContact O-N 3.4Å; L328-E379 HydrophobicContact CD1-CG 3.71Å; L328-E379 HydrophobicContact CD2-CG 4.12Å; L328-E379 HydrophobicContact CG-CG 4.41Å; L328-I382 HydrophobicContact CD1-CB 3.89Å; L328-I382 HydrophobicContact CD1-CG2 3.55Å; L328-I382 HydrophobicContact CD2-CD1 4.39Å; L328-I382 HydrophobicContact CG-CG2 4.27Å; L328-Q383 HydrophobicContact CD1-CG 4.27Å; L328-L422 HydrophobicContact CD2-CD2 3.99Å; L328-L422 HydrophobicContact CG-CD2 4.45Å |
| 329 | M | 67.8 | Low | 82.7 | Confident | 154 Ų | 154 | 44.8 Ų | 44.8 | 76% | 0.759 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 32.8 | 178.3 | -65 | -163.7 | 60.1 | 0 | 0 | 115 | N325 P326 | N325-M329 PolarHBondContact O-N 3.08Å; N325-M329 VanDerWaalsContact O-N 3.16Å; P326-M329 WeakPolarHBondContact O-CG 3.48Å |
| 330 | T | 74.6 | Confident | 82.4 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -67.6 | -40.4 | 179.4 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | R276 L328 E379 | R276-T330 PolarHBondContact NH1-O 2.69Å; L328-T330 HydrophobicContact CB-CG2 4.13Å; L328-T330 PolarHBondContact O-N 3.4Å; T330-E379 WeakPolarHBondContact CG2-OE1 3.3Å |
| 331 | L | 84.3 | Confident | 82.4 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -129.7 | 141.1 | 170.4 | -69 | 172.7 | 0 | 0 | 0 | 108 | R276 V333 | R276-L331 HydrophobicContact CG-CD2 3.95Å; L331-V333 HydrophobicContact CB-CG1 4.32Å; L331-V333 PolarHBondContact O-N 3.03Å |
| 332 | P | 81.9 | Confident | 82.4 | Confident | 52 Ų | 52 | 44.7 Ų | 44.7 | 34% | 0.338 | 23% | 0.23 | S | C | . | . | trans | -64.4 | 98.2 | 176.9 | -21.4 | 33.1 | 0 | 0 | 0 | 111.7 | A280 R283 | A280-P332 WeakPolarHBondContact CA-O 3.38Å; A280-P332 WeakPolarHBondContact CB-O 3.48Å; A280-P332 PolarHBondContact N-O 2.81Å; R283-P332 PolarHBondContact NH1-O 3.36Å | ||
| 333 | V | 85.2 | Confident | 82.3 | Confident | 24 Ų | 24 | 48.4 Ų | 48.4 | 15% | 0.145 | 25% | 0.249 | C | C | . | . | trans | -123.4 | 154.4 | -179.2 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | S324 P326 L331 T337 | S324-V333 WeakPolarHBondContact OG-CG1 3.45Å; P326-V333 HydrophobicContact CG-CG2 4.08Å; L331-V333 HydrophobicContact CB-CG1 4.32Å; L331-V333 PolarHBondContact O-N 3.03Å; V333-T337 HydrophobicContact CB-CG2 4.09Å; V333-T337 HydrophobicContact CG1-CG2 3.81Å | ||
| 334 | D | 80.8 | Confident | 82.5 | Confident | 40 Ų | 40 | 48.6 Ų | 48.6 | 21% | 0.214 | 25% | 0.25 | C | C | . | . | trans | -111.7 | 176 | 173.5 | 65.3 | 12.8 | 0 | 0 | 0 | 110.8 | A280 N284 N336 T337 | A280-D334 HydrophobicContact CB-CB 3.9Å; N284-D334 PolarHBondContact ND2-OD1 2.99Å; N284-D334 PolarHBondContact ND2-OD2 3.05Å; D334-N336 PolarHBondContact O-N 3.46Å; D334-N336 PolarHBondContact OD1-N 2.9Å; D334-T337 PolarHBondContact N-OG1 3.21Å; D334-T337 VanDerWaalsContact N-OG1 3.12Å; D334-T337 WeakPolarHBondContact O-CB 3.48Å; D334-T337 PolarHBondContact O-N 2.8Å; D334-T337 VanDerWaalsContact O-N 3.14Å; D334-T337 PolarHBondContact O-OG1 3.29Å; D334-T337 PolarHBondContact OD1-N 3.5Å; D334-T337 PolarHBondContact OD1-OG1 3.11Å | ||
| 335 | D | 72.2 | Confident | 83.2 | Confident | 104 Ų | 104 | 48.2 Ų | 48.2 | 56% | 0.556 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.8 | -30.4 | -177.9 | -62.4 | -40.5 | 0 | 0 | 0 | 112.7 | ||
| 336 | N | 78.7 | Confident | 83.9 | Confident | 99 Ų | 99 | 48.3 Ų | 48.3 | 53% | 0.529 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -77.1 | -21.6 | 179.5 | -63.8 | -39.5 | 0 | 0 | 0 | 113.1 | D334 R338 D339 N340 | D334-N336 PolarHBondContact O-N 3.46Å; D334-N336 PolarHBondContact OD1-N 2.9Å; N336-R338 VanDerWaalsContact C-N 3.27Å; N336-R338 PolarHBondContact O-N 3.27Å; N336-D339 PolarHBondContact O-N 2.74Å; N336-N340 PolarHBondContact O-N 2.95Å; N336-N340 PolarHBondContact O-ND2 3.13Å |
| 337 | T | 87.4 | Confident | 84.9 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.8 | -41.3 | -174.9 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | N284 I287 V321 V333 D334 D339 N340 V341 | N284-T337 PolarHBondContact ND2-OG1 2.82Å; N284-T337 WeakPolarHBondContact OD1-CA 3.47Å; N284-T337 PolarHBondContact OD1-OG1 3.35Å; I287-T337 HydrophobicContact CD1-CG2 4.2Å; V321-T337 HydrophobicContact CG1-CG2 3.9Å; V333-T337 HydrophobicContact CB-CG2 4.09Å; V333-T337 HydrophobicContact CG1-CG2 3.81Å; D334-T337 PolarHBondContact N-OG1 3.21Å; D334-T337 VanDerWaalsContact N-OG1 3.12Å; D334-T337 WeakPolarHBondContact O-CB 3.48Å; D334-T337 PolarHBondContact O-N 2.8Å; D334-T337 VanDerWaalsContact O-N 3.14Å; D334-T337 PolarHBondContact O-OG1 3.29Å; D334-T337 PolarHBondContact OD1-N 3.5Å; D334-T337 PolarHBondContact OD1-OG1 3.11Å; T337-D339 PolarHBondContact O-N 2.88Å; T337-N340 PolarHBondContact O-N 3.09Å; T337-V341 HydrophobicContact CG2-CG2 4.25Å; T337-V341 VanDerWaalsContact O-CG2 3.25Å; T337-V341 WeakPolarHBondContact O-CG2 3.4Å; T337-V341 PolarHBondContact O-N 2.84Å |
| 338 | R | 88.5 | Confident | 85.8 | Confident | 65 Ų | 65 | 43.9 Ų | 43.9 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.5 | -46 | 178.6 | -178.5 | 171.6 | -64.6 | 109.4 | 2 | 112.1 | N336 V341 A342 T390 | N336-R338 VanDerWaalsContact C-N 3.27Å; N336-R338 PolarHBondContact O-N 3.27Å; R338-V341 PolarHBondContact O-N 3.39Å; R338-A342 VanDerWaalsContact O-CB 3.3Å; R338-A342 WeakPolarHBondContact O-CB 3.45Å; R338-A342 PolarHBondContact O-N 2.93Å; R338-T390 HydrophobicContact CG-CG2 4.09Å; R338-T390 WeakPolarHBondContact CG-OG1 3.3Å |
| 339 | D | 85.1 | Confident | 86.9 | Confident | 69 Ų | 69 | 42.5 Ų | 42.5 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69.2 | -38.7 | -178.2 | -71.3 | -27.5 | 0 | 0 | 0 | 111.5 | N336 T337 A342 L343 R393 | N336-D339 PolarHBondContact O-N 2.74Å; T337-D339 PolarHBondContact O-N 2.88Å; D339-A342 PolarHBondContact O-N 2.9Å; D339-L343 WeakPolarHBondContact O-CB 3.29Å; D339-L343 PolarHBondContact O-N 3.23Å; D339-R393 IonicContact OD1-CZ 3.12Å; D339-R393 VanDerWaalsContact OD1-CZ 3.29Å; D339-R393 IonicContact OD1-NE 2.98Å; D339-R393 PolarHBondContact OD1-NE 3.09Å; D339-R393 IonicContact OD1-NH2 2.82Å; D339-R393 PolarHBondContact OD1-NH2 3.28Å; D339-R393 IonicContact OD2-NH2 2.68Å; D339-R393 PolarHBondContact OD2-NH2 3.46Å |
| 340 | N | 89.5 | Confident | 88.1 | Confident | 52 Ų | 52 | 39.2 Ų | 39.2 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62 | -44.1 | 173.8 | -70.9 | -32.5 | 0 | 0 | 0 | 112 | N284 I287 N336 T337 C344 | N284-N340 VanDerWaalsContact CG-ND2 3.35Å; N284-N340 PolarHBondContact OD1-ND2 3.13Å; I287-N340 HydrophobicContact CG2-CB 3.98Å; I287-N340 WeakPolarHBondContact CG2-O 3.27Å; N336-N340 PolarHBondContact O-N 2.95Å; N336-N340 PolarHBondContact O-ND2 3.13Å; T337-N340 PolarHBondContact O-N 3.09Å; N340-C344 WeakPolarHBondContact O-CB 3.49Å; N340-C344 PolarHBondContact O-N 3.4Å |
| 341 | V | 94.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.7 | -44.5 | 177.1 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | I287 V321 T337 R338 L343 C344 L345 T390 | I287-V341 HydrophobicContact CD1-CG2 3.49Å; I287-V341 VanDerWaalsContact CD1-CG2 3.49Å; I287-V341 HydrophobicContact CG1-CG2 4.26Å; V321-V341 HydrophobicContact CB-CG2 4.24Å; V321-V341 HydrophobicContact CG1-CG2 3.7Å; T337-V341 HydrophobicContact CG2-CG2 4.25Å; T337-V341 VanDerWaalsContact O-CG2 3.25Å; T337-V341 WeakPolarHBondContact O-CG2 3.4Å; T337-V341 PolarHBondContact O-N 2.84Å; R338-V341 PolarHBondContact O-N 3.39Å; V341-L343 VanDerWaalsContact C-N 3.33Å; V341-L343 PolarHBondContact O-N 3.44Å; V341-C344 PolarHBondContact O-N 3.1Å; V341-L345 HydrophobicContact CG1-CD1 3.71Å; V341-L345 HydrophobicContact CG1-CG 4.12Å; V341-L345 WeakPolarHBondContact O-CB 3.5Å; V341-L345 VanDerWaalsContact O-CG 3.28Å; V341-L345 WeakPolarHBondContact O-CG 3.47Å; V341-L345 PolarHBondContact O-N 3.02Å; V341-T390 HydrophobicContact CB-CG2 4.22Å; V341-T390 HydrophobicContact CG1-CG2 3.97Å |
| 342 | A | 92.6 | Very high | 89.4 | Confident | 3 Ų | 3 | 38 Ų | 38 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.3 | -46.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R338 D339 L345 A346 T390 R393 G394 | R338-A342 VanDerWaalsContact O-CB 3.3Å; R338-A342 WeakPolarHBondContact O-CB 3.45Å; R338-A342 PolarHBondContact O-N 2.93Å; D339-A342 PolarHBondContact O-N 2.9Å; A342-L345 PolarHBondContact O-N 2.65Å; A342-A346 WeakPolarHBondContact O-CB 3.45Å; A342-A346 PolarHBondContact O-N 2.77Å; A342-T390 HydrophobicContact CB-CG2 3.99Å; A342-T390 WeakPolarHBondContact CB-O 3.32Å; A342-R393 HydrophobicContact CB-CB 4.08Å; A342-G394 VanDerWaalsContact O-CA 3.3Å; A342-G394 WeakPolarHBondContact O-CA 3.3Å |
| 343 | L | 90.8 | Very high | 89.6 | Confident | 81 Ų | 81 | 38.5 Ų | 38.5 | 42% | 0.424 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 176.2 | 179.5 | 62.5 | 0 | 0 | 0 | 112.2 | D339 V341 A346 R347 | D339-L343 WeakPolarHBondContact O-CB 3.29Å; D339-L343 PolarHBondContact O-N 3.23Å; V341-L343 VanDerWaalsContact C-N 3.33Å; V341-L343 PolarHBondContact O-N 3.44Å; L343-A346 PolarHBondContact O-N 2.99Å; L343-R347 HydrophobicContact CD1-CG 4.34Å; L343-R347 WeakPolarHBondContact O-CG 3.29Å; L343-R347 PolarHBondContact O-N 3.44Å |
| 344 | C | 94.9 | Very high | 89.7 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 177.7 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | I287 N340 V341 L348 | I287-C344 HydrophobicContact CG2-CB 3.71Å; N340-C344 WeakPolarHBondContact O-CB 3.49Å; N340-C344 PolarHBondContact O-N 3.4Å; V341-C344 PolarHBondContact O-N 3.1Å; C344-L348 VanDerWaalsContact O-CB 3.28Å; C344-L348 WeakPolarHBondContact O-CB 3.45Å; C344-L348 PolarHBondContact O-N 2.83Å |
| 345 | L | 97.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 177.3 | -72.3 | 171.2 | 0 | 0 | 0 | 111.7 | L315 L318 V341 A342 L348 Y349 Y361 T390 L391 P395 | L315-L345 HydrophobicContact CD1-CD2 3.61Å; L318-L345 HydrophobicContact CB-CD2 3.84Å; L318-L345 HydrophobicContact CD1-CD2 4.14Å; V341-L345 HydrophobicContact CG1-CD1 3.71Å; V341-L345 HydrophobicContact CG1-CG 4.12Å; V341-L345 WeakPolarHBondContact O-CB 3.5Å; V341-L345 VanDerWaalsContact O-CG 3.28Å; V341-L345 WeakPolarHBondContact O-CG 3.47Å; V341-L345 PolarHBondContact O-N 3.02Å; A342-L345 PolarHBondContact O-N 2.65Å; L345-L348 PolarHBondContact O-N 3.2Å; L345-Y349 WeakPolarHBondContact O-CB 3.44Å; L345-Y349 PolarHBondContact O-N 3.34Å; L345-Y361 WeakPolarHBondContact CD2-OH 3.37Å; L345-Y361 PolarHBondContact O-OH 3.49Å; L345-Y361 VanDerWaalsContact O-OH 3.14Å; L345-T390 HydrophobicContact CD1-CG2 4.45Å; L345-L391 HydrophobicContact CD1-CD2 3.96Å; L345-P395 HydrophobicContact CB-CG 4.11Å |
| 346 | A | 94.3 | Very high | 91.3 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 15% | 0.149 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.4 | -52.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A342 L343 L348 Y349 D350 | A342-A346 WeakPolarHBondContact O-CB 3.45Å; A342-A346 PolarHBondContact O-N 2.77Å; L343-A346 PolarHBondContact O-N 2.99Å; A346-L348 VanDerWaalsContact C-N 3.29Å; A346-L348 PolarHBondContact O-N 2.83Å; A346-Y349 WeakPolarHBondContact O-CB 3.2Å; A346-Y349 PolarHBondContact O-N 3.24Å; A346-Y349 VanDerWaalsContact O-N 3.07Å; A346-D350 PolarHBondContact O-N 3.42Å |
| 347 | R | 94.1 | Very high | 91.9 | Very high | 78 Ų | 78 | 43.8 Ų | 43.8 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60 | -39.3 | 178 | -73.2 | 171.4 | 169.1 | -174.2 | -0.4 | 112.6 | S291 I295 N298 L343 Y349 D350 D351 | S291-R347 PolarHBondContact O-NH1 3.28Å; S291-R347 VanDerWaalsContact OG-CD 3.25Å; S291-R347 WeakPolarHBondContact OG-CD 3.38Å; S291-R347 PolarHBondContact OG-NH1 2.87Å; I295-R347 HydrophobicContact CD1-CB 4.07Å; I295-R347 HydrophobicContact CG1-CB 3.92Å; I295-R347 HydrophobicContact CG2-CB 4.21Å; N298-R347 WeakPolarHBondContact ND2-CD 3.42Å; N298-R347 PolarHBondContact ND2-NE 2.85Å; L343-R347 HydrophobicContact CD1-CG 4.34Å; L343-R347 WeakPolarHBondContact O-CG 3.29Å; L343-R347 PolarHBondContact O-N 3.44Å; R347-Y349 VanDerWaalsContact C-N 3.34Å; R347-D350 PolarHBondContact O-N 2.91Å; R347-D351 WeakPolarHBondContact O-CB 3.06Å; R347-D351 PolarHBondContact O-N 3.44Å; R347-D351 VanDerWaalsContact O-N 3.07Å |
| 348 | L | 95.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.2 | -40.5 | 176.1 | -171.4 | 62.4 | 0 | 0 | 0 | 111.4 | L294 I295 F309 V310 L315 L318 C344 L345 A346 M352 Y361 | L294-L348 HydrophobicContact CD2-CD1 4.17Å; I295-L348 HydrophobicContact CD1-CB 4.24Å; I295-L348 HydrophobicContact CD1-CD1 4.15Å; F309-L348 HydrophobicContact CD1-CD1 4.42Å; F309-L348 HydrophobicContact CD1-CD2 3.93Å; F309-L348 HydrophobicContact CE1-CD2 4.08Å; V310-L348 HydrophobicContact CG2-CD1 3.89Å; V310-L348 HydrophobicContact CG2-CD2 3.6Å; V310-L348 HydrophobicContact CG2-CG 3.65Å; L315-L348 HydrophobicContact CD1-CD2 4.34Å; L318-L348 HydrophobicContact CD1-CD2 4.21Å; C344-L348 VanDerWaalsContact O-CB 3.28Å; C344-L348 WeakPolarHBondContact O-CB 3.45Å; C344-L348 PolarHBondContact O-N 2.83Å; L345-L348 PolarHBondContact O-N 3.2Å; A346-L348 VanDerWaalsContact C-N 3.29Å; A346-L348 PolarHBondContact O-N 2.83Å; L348-M352 HydrophobicContact CD1-CE 4.05Å; L348-M352 HydrophobicContact CG-CE 4.34Å; L348-M352 WeakPolarHBondContact O-CE 3.47Å; L348-M352 WeakPolarHBondContact O-CG 3.22Å; L348-Y361 HydrophobicContact CB-CE2 4.33Å; L348-Y361 HydrophobicContact CD2-CE2 4.1Å; L348-Y361 HydrophobicContact CG-CE2 4.06Å |
| 349 | Y | 95.4 | Very high | 92.5 | Very high | 18 Ų | 18 | 47.9 Ų | 47.9 | 7% | 0.071 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.2 | -42.1 | 175.1 | 179.2 | -102.2 | 0 | 0 | 0 | 112.5 | L345 A346 R347 D351 M352 R358 Y361 K362 P395 V398 | L345-Y349 WeakPolarHBondContact O-CB 3.44Å; L345-Y349 PolarHBondContact O-N 3.34Å; A346-Y349 WeakPolarHBondContact O-CB 3.2Å; A346-Y349 PolarHBondContact O-N 3.24Å; A346-Y349 VanDerWaalsContact O-N 3.07Å; R347-Y349 VanDerWaalsContact C-N 3.34Å; Y349-D351 PolarHBondContact O-N 3.11Å; Y349-M352 VanDerWaalsContact O-CB 3.22Å; Y349-M352 WeakPolarHBondContact O-CB 3.26Å; Y349-M352 PolarHBondContact O-N 3.07Å; Y349-R358 HydrophobicContact CE2-CB 4.35Å; Y349-R358 HydrophobicContact CE2-CG 4.29Å; Y349-Y361 AromaticContact CD2-CD1 3.77Å; Y349-Y361 HydrophobicContact CD2-CD1 3.77Å; Y349-Y361 HydrophobicContact CD2-CE1 4.07Å; Y349-Y361 HydrophobicContact CD2-CG 4.03Å; Y349-Y361 HydrophobicContact CE2-CD1 4.47Å; Y349-K362 VanDerWaalsContact OH-CE 3.3Å; Y349-K362 WeakPolarHBondContact OH-CE 3.31Å; Y349-P395 HydrophobicContact CD1-CB 4.24Å; Y349-P395 HydrophobicContact CG-CB 4.06Å; Y349-V398 HydrophobicContact CD2-CG2 3.76Å; Y349-V398 HydrophobicContact CE2-CG2 3.6Å; Y349-V398 HydrophobicContact CG-CG2 4.39Å |
| 350 | D | 91.7 | Very high | 93 | Very high | 86 Ų | 86 | 46.5 Ų | 46.5 | 46% | 0.46 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.5 | -32.5 | 178.6 | -67.2 | -23.5 | 0 | 0 | 0 | 111.9 | L297 A346 R347 M352 | L297-D350 HydrophobicContact CD1-CB 4.29Å; L297-D350 WeakPolarHBondContact CD1-O 3.31Å; A346-D350 PolarHBondContact O-N 3.42Å; R347-D350 PolarHBondContact O-N 2.91Å; D350-M352 PolarHBondContact O-N 3.37Å |
| 351 | D | 93.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -12 | 174.7 | -145.7 | 56.9 | 0 | 0 | 0 | 113.2 | I295 H296 L297 S306 W307 R347 Y349 L353 | I295-D351 HydrophobicContact CG2-CB 4.23Å; H296-D351 WeakPolarHBondContact CB-OD1 3.37Å; H296-D351 PolarHBondContact N-OD1 2.92Å; H296-D351 VanDerWaalsContact N-OD1 3.14Å; H296-D351 PolarHBondContact N-OD2 2.97Å; L297-D351 WeakPolarHBondContact CG-OD1 3.47Å; L297-D351 PolarHBondContact N-OD1 3.24Å; S306-D351 WeakPolarHBondContact CB-OD2 3.41Å; S306-D351 PolarHBondContact OG-OD2 2.92Å; W307-D351 PolarHBondContact NE1-O 3.4Å; R347-D351 WeakPolarHBondContact O-CB 3.06Å; R347-D351 PolarHBondContact O-N 3.44Å; R347-D351 VanDerWaalsContact O-N 3.07Å; Y349-D351 PolarHBondContact O-N 3.11Å; D351-L353 VanDerWaalsContact C-N 3.27Å; D351-L353 PolarHBondContact O-N 3.33Å |
| 352 | M | 93.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -77.6 | 79.2 | 167.1 | -53.6 | -58.7 | 116.7 | 0 | 0 | 108.9 | W307 V310 L348 Y349 D350 F354 W357 R358 Y361 | W307-M352 VanDerWaalsContact CD1-CE 3.49Å; W307-M352 HydrophobicContact CG-SD 4.44Å; V310-M352 HydrophobicContact CG2-CE 3.83Å; V310-M352 HydrophobicContact CG2-SD 4.3Å; L348-M352 HydrophobicContact CD1-CE 4.05Å; L348-M352 HydrophobicContact CG-CE 4.34Å; L348-M352 WeakPolarHBondContact O-CE 3.47Å; L348-M352 WeakPolarHBondContact O-CG 3.22Å; Y349-M352 VanDerWaalsContact O-CB 3.22Å; Y349-M352 WeakPolarHBondContact O-CB 3.26Å; Y349-M352 PolarHBondContact O-N 3.07Å; D350-M352 PolarHBondContact O-N 3.37Å; M352-F354 VanDerWaalsContact C-N 3.34Å; M352-F354 PolarHBondContact O-N 3.03Å; M352-W357 HydrophobicContact CB-CB 3.95Å; M352-W357 HydrophobicContact CG-CB 4.33Å; M352-W357 HydrophobicContact SD-CB 3.8Å; M352-R358 HydrophobicContact CB-CG 3.76Å; M352-R358 WeakPolarHBondContact O-CG 3.42Å; M352-R358 PolarHBondContact O-NE 3.1Å; M352-Y361 HydrophobicContact CG-CD2 4.28Å | ||
| 353 | L | 85.6 | Confident | 93.6 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 33% | 0.325 | 26% | 0.261 | S | S | . | . | trans | -70.6 | -27.7 | -173.7 | -63.3 | 174.3 | 0 | 0 | 0 | 113.9 | L297 D351 | L297-L353 HydrophobicContact CD1-CD2 4.22Å; L297-L353 HydrophobicContact CD2-CD2 4.4Å; D351-L353 VanDerWaalsContact C-N 3.27Å; D351-L353 PolarHBondContact O-N 3.33Å | ||
| 354 | F | 89.3 | Confident | 93.8 | Very high | 111 Ų | 111 | 52.2 Ų | 52.2 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -104.5 | 149 | -176 | -55.6 | -75.6 | 0 | 0 | 0 | 111.9 | W307 M352 N356 W357 R358 | W307-F354 AromaticContact CH2-CD2 4Å; W307-F354 HydrophobicContact CH2-CD2 4Å; W307-F354 AromaticContact CH2-CE2 3.66Å; W307-F354 HydrophobicContact CH2-CE2 3.66Å; W307-F354 AromaticContact CZ2-CD2 3.97Å; W307-F354 HydrophobicContact CZ2-CD2 3.97Å; W307-F354 AromaticContact CZ2-CE2 3.89Å; W307-F354 HydrophobicContact CZ2-CE2 3.89Å; M352-F354 VanDerWaalsContact C-N 3.34Å; M352-F354 PolarHBondContact O-N 3.03Å; F354-N356 VanDerWaalsContact C-N 3.28Å; F354-N356 WeakPolarHBondContact CB-OD1 3.36Å; F354-N356 PolarHBondContact O-N 3.07Å; F354-W357 AromaticContact CD2-CD1 3.94Å; F354-W357 PolarHBondContact O-N 3.26Å; F354-W357 VanDerWaalsContact O-N 3.08Å; F354-R358 PolarHBondContact O-N 3.19Å |
| 355 | D | 91.7 | Very high | 93.8 | Very high | 121 Ų | 121 | 52 Ų | 52 | 65% | 0.647 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.4 | -31.2 | -175 | -68.4 | -28.6 | 0 | 0 | 0 | 113.9 | S359 | D355-S359 VanDerWaalsContact O-CB 3.22Å; D355-S359 WeakPolarHBondContact O-CB 3.17Å; D355-S359 PolarHBondContact O-N 3.36Å; D355-S359 PolarHBondContact O-OG 2.93Å |
| 356 | N | 93.2 | Very high | 93.7 | Very high | 101 Ų | 101 | 55.1 Ų | 55.1 | 54% | 0.54 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 173.9 | 62.5 | -29.8 | 0 | 0 | 0 | 111.6 | F354 S359 L360 | F354-N356 VanDerWaalsContact C-N 3.28Å; F354-N356 WeakPolarHBondContact CB-OD1 3.36Å; F354-N356 PolarHBondContact O-N 3.07Å; N356-S359 PolarHBondContact O-N 2.73Å; N356-L360 PolarHBondContact O-N 3.44Å |
| 357 | W | 91.6 | Very high | 93.6 | Very high | 44 Ų | 44 | 57.5 Ų | 57.5 | 17% | 0.167 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.8 | -37.6 | 178.4 | -70.4 | 116.9 | 0 | 0 | 0 | 112.5 | W307 M352 F354 S359 L360 Y361 | W307-W357 HydrophobicContact CB-CD2 3.93Å; W307-W357 HydrophobicContact CB-CE3 3.79Å; W307-W357 HydrophobicContact CB-CH2 3.82Å; W307-W357 HydrophobicContact CB-CZ2 3.93Å; W307-W357 HydrophobicContact CB-CZ3 3.74Å; W307-W357 AromaticContact CD2-CD1 3.85Å; W307-W357 HydrophobicContact CD2-CD2 4.01Å; W307-W357 AromaticContact CD2-CE2 3.6Å; W307-W357 HydrophobicContact CD2-CG 4.18Å; W307-W357 HydrophobicContact CD2-CZ2 4.06Å; W307-W357 AromaticContact CD2-NE1 3.47Å; W307-W357 AromaticContact CE2-CD1 3.94Å; W307-W357 AromaticContact CE2-NE1 3.95Å; W307-W357 HydrophobicContact CE3-CD2 4.3Å; W307-W357 AromaticContact CE3-CE2 3.42Å; W307-W357 VanDerWaalsContact CE3-CE2 3.42Å; W307-W357 AromaticContact CE3-CZ2 3.58Å; W307-W357 HydrophobicContact CE3-CZ2 3.58Å; W307-W357 AromaticContact CE3-NE1 3.24Å; W307-W357 AromaticContact CG-CD2 3.85Å; W307-W357 HydrophobicContact CG-CD2 3.85Å; W307-W357 AromaticContact CG-CE2 3.86Å; W307-W357 HydrophobicContact CG-CE3 4.19Å; W307-W357 HydrophobicContact CG-CG 4.2Å; W307-W357 HydrophobicContact CG-CZ2 4.24Å; W307-W357 HydrophobicContact CZ3-CZ2 4.45Å; W307-W357 AromaticContact CZ3-NE1 3.58Å; M352-W357 HydrophobicContact CB-CB 3.95Å; M352-W357 HydrophobicContact CG-CB 4.33Å; M352-W357 HydrophobicContact SD-CB 3.8Å; F354-W357 AromaticContact CD2-CD1 3.94Å; F354-W357 PolarHBondContact O-N 3.26Å; F354-W357 VanDerWaalsContact O-N 3.08Å; W357-S359 VanDerWaalsContact C-N 3.3Å; W357-S359 PolarHBondContact O-N 2.85Å; W357-L360 HydrophobicContact CE3-CD2 3.58Å; W357-L360 HydrophobicContact CZ3-CD2 3.45Å; W357-L360 VanDerWaalsContact CZ3-CD2 3.45Å; W357-L360 PolarHBondContact O-N 3.5Å; W357-Y361 WeakPolarHBondContact O-CB 3.39Å; W357-Y361 PolarHBondContact O-N 3.2Å |
| 358 | R | 94.4 | Very high | 93.6 | Very high | 83 Ų | 83 | 55 Ų | 55 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 171.1 | -69.7 | -178.8 | 175.6 | 154.5 | -3.2 | 111.5 | Y349 M352 F354 K362 | Y349-R358 HydrophobicContact CE2-CB 4.35Å; Y349-R358 HydrophobicContact CE2-CG 4.29Å; M352-R358 HydrophobicContact CB-CG 3.76Å; M352-R358 WeakPolarHBondContact O-CG 3.42Å; M352-R358 PolarHBondContact O-NE 3.1Å; F354-R358 PolarHBondContact O-N 3.19Å; R358-K362 WeakPolarHBondContact O-CB 3.36Å; R358-K362 VanDerWaalsContact O-CG 3.29Å; R358-K362 WeakPolarHBondContact O-CG 3.15Å; R358-K362 PolarHBondContact O-N 3.46Å |
| 359 | S | 94.9 | Very high | 93.4 | Very high | 71 Ų | 71 | 55.4 Ų | 55.4 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 174.7 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | D355 N356 W357 Y361 K362 E363 | D355-S359 VanDerWaalsContact O-CB 3.22Å; D355-S359 WeakPolarHBondContact O-CB 3.17Å; D355-S359 PolarHBondContact O-N 3.36Å; D355-S359 PolarHBondContact O-OG 2.93Å; N356-S359 PolarHBondContact O-N 2.73Å; W357-S359 VanDerWaalsContact C-N 3.3Å; W357-S359 PolarHBondContact O-N 2.85Å; S359-Y361 PolarHBondContact O-N 3.3Å; S359-K362 PolarHBondContact O-N 3.14Å; S359-E363 WeakPolarHBondContact O-CB 3.47Å; S359-E363 PolarHBondContact O-N 3.23Å |
| 360 | L | 94.8 | Very high | 93.2 | Very high | 40 Ų | 40 | 59.3 Ų | 59.3 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 176 | -178.9 | 67.1 | 0 | 0 | 0 | 111.6 | E311 N356 W357 K362 E363 R364 | E311-L360 HydrophobicContact CB-CD2 4.28Å; N356-L360 PolarHBondContact O-N 3.44Å; W357-L360 HydrophobicContact CE3-CD2 3.58Å; W357-L360 HydrophobicContact CZ3-CD2 3.45Å; W357-L360 VanDerWaalsContact CZ3-CD2 3.45Å; W357-L360 PolarHBondContact O-N 3.5Å; L360-K362 VanDerWaalsContact C-N 3.32Å; L360-K362 PolarHBondContact O-N 3.45Å; L360-E363 PolarHBondContact O-N 2.69Å; L360-R364 HydrophobicContact CD1-CG 4.19Å; L360-R364 HydrophobicContact CG-CG 4.31Å; L360-R364 WeakPolarHBondContact O-CB 3.27Å; L360-R364 WeakPolarHBondContact O-CG 3.34Å; L360-R364 PolarHBondContact O-N 3.46Å |
| 361 | Y | 97.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.2 | -49.4 | 176.8 | -174.5 | -73.6 | 0 | 0 | 0 | 111 | V310 L315 L345 L348 Y349 M352 W357 S359 R364 V365 V398 | V310-Y361 HydrophobicContact CG1-CD2 4.12Å; V310-Y361 HydrophobicContact CG2-CD2 3.93Å; V310-Y361 HydrophobicContact CG2-CE2 4.39Å; L315-Y361 HydrophobicContact CD1-CD2 4.39Å; L315-Y361 HydrophobicContact CD1-CE1 4.45Å; L315-Y361 HydrophobicContact CD1-CE2 3.67Å; L315-Y361 HydrophobicContact CD2-CD1 4.33Å; L315-Y361 HydrophobicContact CD2-CD2 3.82Å; L315-Y361 HydrophobicContact CD2-CE1 4.42Å; L315-Y361 HydrophobicContact CD2-CE2 3.94Å; L315-Y361 HydrophobicContact CD2-CG 4.03Å; L315-Y361 HydrophobicContact CG-CE2 4.47Å; L345-Y361 WeakPolarHBondContact CD2-OH 3.37Å; L345-Y361 PolarHBondContact O-OH 3.49Å; L345-Y361 VanDerWaalsContact O-OH 3.14Å; L348-Y361 HydrophobicContact CB-CE2 4.33Å; L348-Y361 HydrophobicContact CD2-CE2 4.1Å; L348-Y361 HydrophobicContact CG-CE2 4.06Å; Y349-Y361 AromaticContact CD2-CD1 3.77Å; Y349-Y361 HydrophobicContact CD2-CD1 3.77Å; Y349-Y361 HydrophobicContact CD2-CE1 4.07Å; Y349-Y361 HydrophobicContact CD2-CG 4.03Å; Y349-Y361 HydrophobicContact CE2-CD1 4.47Å; M352-Y361 HydrophobicContact CG-CD2 4.28Å; W357-Y361 WeakPolarHBondContact O-CB 3.39Å; W357-Y361 PolarHBondContact O-N 3.2Å; S359-Y361 PolarHBondContact O-N 3.3Å; Y361-R364 PolarHBondContact O-N 3.11Å; Y361-V365 HydrophobicContact CD1-CG2 4.04Å; Y361-V365 HydrophobicContact CE1-CG2 3.79Å; Y361-V365 WeakPolarHBondContact O-CG2 3.48Å; Y361-V365 PolarHBondContact O-N 3Å; Y361-V365 VanDerWaalsContact O-N 3.08Å; Y361-V398 HydrophobicContact CD1-CG1 4.47Å; Y361-V398 HydrophobicContact CD1-CG2 4.12Å; Y361-V398 HydrophobicContact CE1-CG1 4.18Å; Y361-V398 HydrophobicContact CE1-CG2 4.03Å |
| 362 | K | 95.8 | Very high | 92.9 | Very high | 81 Ų | 81 | 64.8 Ų | 64.8 | 35% | 0.352 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 178.1 | -73.3 | 172.2 | -177.2 | 179.4 | 0 | 111.7 | Y349 R358 S359 L360 R364 V365 T366 V398 | Y349-K362 VanDerWaalsContact OH-CE 3.3Å; Y349-K362 WeakPolarHBondContact OH-CE 3.31Å; R358-K362 WeakPolarHBondContact O-CB 3.36Å; R358-K362 VanDerWaalsContact O-CG 3.29Å; R358-K362 WeakPolarHBondContact O-CG 3.15Å; R358-K362 PolarHBondContact O-N 3.46Å; S359-K362 PolarHBondContact O-N 3.14Å; L360-K362 VanDerWaalsContact C-N 3.32Å; L360-K362 PolarHBondContact O-N 3.45Å; K362-R364 VanDerWaalsContact C-N 3.35Å; K362-R364 PolarHBondContact O-N 3.12Å; K362-V365 PolarHBondContact O-N 3.09Å; K362-T366 PolarHBondContact O-N 3.47Å; K362-T366 PolarHBondContact O-OG1 3.37Å; K362-T366 VanDerWaalsContact O-OG1 3.09Å; K362-V398 HydrophobicContact CG-CG2 4.07Å |
| 363 | E | 95.6 | Very high | 92.5 | Very high | 107 Ų | 107 | 67.5 Ų | 67.5 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 178.3 | -170 | -164.6 | 149.3 | 0 | 0 | 111.5 | S359 L360 T366 N367 | S359-E363 WeakPolarHBondContact O-CB 3.47Å; S359-E363 PolarHBondContact O-N 3.23Å; L360-E363 PolarHBondContact O-N 2.69Å; E363-T366 PolarHBondContact O-N 3.24Å; E363-N367 WeakPolarHBondContact O-CB 3.45Å; E363-N367 PolarHBondContact O-N 3.2Å; E363-N367 PolarHBondContact O-ND2 3.47Å |
| 364 | R | 95.6 | Very high | 92.3 | Very high | 69 Ų | 69 | 74.7 Ų | 74.7 | 26% | 0.26 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 178.1 | -66.4 | -72.3 | -77.2 | 164.7 | -3 | 111.8 | N312 L315 E316 L360 Y361 K362 N367 Y368 | N312-R364 PolarHBondContact O-NH2 3.32Å; L315-R364 HydrophobicContact CD2-CB 3.91Å; E316-R364 VanDerWaalsContact CD-CZ 3.43Å; E316-R364 IonicContact OE1-CZ 2.63Å; E316-R364 IonicContact OE1-NE 2.74Å; E316-R364 PolarHBondContact OE1-NE 3.01Å; E316-R364 IonicContact OE1-NH1 2.74Å; E316-R364 IonicContact OE1-NH2 3.3Å; E316-R364 PolarHBondContact OE1-NH2 3.34Å; E316-R364 IonicContact OE2-CZ 2.75Å; E316-R364 IonicContact OE2-NE 2.81Å; E316-R364 IonicContact OE2-NH2 3.77Å; E316-R364 PolarHBondContact OE2-NH2 2.98Å; L360-R364 HydrophobicContact CD1-CG 4.19Å; L360-R364 HydrophobicContact CG-CG 4.31Å; L360-R364 WeakPolarHBondContact O-CB 3.27Å; L360-R364 WeakPolarHBondContact O-CG 3.34Å; L360-R364 PolarHBondContact O-N 3.46Å; Y361-R364 PolarHBondContact O-N 3.11Å; K362-R364 VanDerWaalsContact C-N 3.35Å; K362-R364 PolarHBondContact O-N 3.12Å; R364-N367 PolarHBondContact O-N 3.35Å; R364-Y368 WeakPolarHBondContact O-CB 3.21Å; R364-Y368 PolarHBondContact O-N 2.99Å |
| 365 | V | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 173.6 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | L315 L319 Y361 K362 N367 Y368 V369 L391 V398 V402 | L315-V365 HydrophobicContact CD2-CG2 4.12Å; L319-V365 HydrophobicContact CD1-CG2 4.07Å; L319-V365 HydrophobicContact CD2-CG2 4.4Å; Y361-V365 HydrophobicContact CD1-CG2 4.04Å; Y361-V365 HydrophobicContact CE1-CG2 3.79Å; Y361-V365 WeakPolarHBondContact O-CG2 3.48Å; Y361-V365 PolarHBondContact O-N 3Å; Y361-V365 VanDerWaalsContact O-N 3.08Å; K362-V365 PolarHBondContact O-N 3.09Å; V365-N367 PolarHBondContact O-N 3.13Å; V365-Y368 PolarHBondContact O-N 3.48Å; V365-V369 HydrophobicContact CG1-CG2 4.22Å; V365-V369 WeakPolarHBondContact O-CG2 3.26Å; V365-V369 PolarHBondContact O-N 3.28Å; V365-L391 HydrophobicContact CG1-CD1 4.04Å; V365-V398 HydrophobicContact CB-CG1 4.1Å; V365-V398 HydrophobicContact CG1-CG1 3.94Å; V365-V398 HydrophobicContact CG2-CG1 4Å; V365-V402 HydrophobicContact CG1-CG2 3.83Å |
| 366 | T | 93.8 | Very high | 90.9 | Very high | 65 Ų | 65 | 70.6 Ų | 70.6 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 177.8 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | K362 E363 Y368 V369 Q370 | K362-T366 PolarHBondContact O-N 3.47Å; K362-T366 PolarHBondContact O-OG1 3.37Å; K362-T366 VanDerWaalsContact O-OG1 3.09Å; E363-T366 PolarHBondContact O-N 3.24Å; T366-Y368 VanDerWaalsContact C-N 3.33Å; T366-Y368 PolarHBondContact O-N 2.95Å; T366-V369 PolarHBondContact O-N 3.5Å; T366-Q370 HydrophobicContact CG2-CG 4.41Å; T366-Q370 WeakPolarHBondContact O-CB 3.48Å; T366-Q370 VanDerWaalsContact O-CG 3.3Å; T366-Q370 WeakPolarHBondContact O-CG 3.36Å; T366-Q370 PolarHBondContact O-N 3.23Å |
| 367 | N | 93.7 | Very high | 90.6 | Very high | 67 Ų | 67 | 70.1 Ų | 70.1 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 178.1 | -73.8 | -21.5 | 0 | 0 | 0 | 111.7 | E363 R364 V365 K371 | E363-N367 WeakPolarHBondContact O-CB 3.45Å; E363-N367 PolarHBondContact O-N 3.2Å; E363-N367 PolarHBondContact O-ND2 3.47Å; R364-N367 PolarHBondContact O-N 3.35Å; V365-N367 PolarHBondContact O-N 3.13Å; N367-K371 WeakPolarHBondContact O-CB 3.37Å; N367-K371 PolarHBondContact O-N 2.92Å |
| 368 | Y | 93.6 | Very high | 90.2 | Very high | 25 Ų | 25 | 72.3 Ų | 72.3 | 10% | 0.098 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 176 | -179 | -89.2 | 0 | 0 | 0 | 111.8 | E316 L319 E320 R364 V365 T366 Q370 K371 K372 M387 | E316-Y368 HydrophobicContact CB-CD2 4.12Å; E316-Y368 HydrophobicContact CB-CE2 4.36Å; E316-Y368 HydrophobicContact CG-CD2 3.9Å; L319-Y368 HydrophobicContact CB-CD1 3.96Å; L319-Y368 HydrophobicContact CB-CE1 3.77Å; L319-Y368 HydrophobicContact CB-CE2 4.36Å; L319-Y368 HydrophobicContact CB-CG 4.34Å; L319-Y368 HydrophobicContact CD1-CD1 3.86Å; L319-Y368 HydrophobicContact CD1-CD2 4.42Å; L319-Y368 HydrophobicContact CD1-CG 3.8Å; E320-Y368 VanDerWaalsContact CA-OH 3.24Å; E320-Y368 WeakPolarHBondContact CA-OH 3.21Å; E320-Y368 WeakPolarHBondContact CB-OH 3.43Å; E320-Y368 PolarHBondContact N-OH 3.03Å; E320-Y368 PolarHBondContact OE2-OH 3.41Å; R364-Y368 WeakPolarHBondContact O-CB 3.21Å; R364-Y368 PolarHBondContact O-N 2.99Å; V365-Y368 PolarHBondContact O-N 3.48Å; T366-Y368 VanDerWaalsContact C-N 3.33Å; T366-Y368 PolarHBondContact O-N 2.95Å; Y368-Q370 PolarHBondContact O-N 2.83Å; Y368-K371 PolarHBondContact O-N 2.8Å; Y368-K372 PolarHBondContact O-N 3.01Å; Y368-M387 HydrophobicContact CD1-SD 3.78Å; Y368-M387 HydrophobicContact CE1-SD 3.64Å |
| 369 | V | 91.7 | Very high | 89.8 | Confident | 11 Ų | 11 | 71.9 Ų | 71.9 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.7 | -52.8 | 175.8 | 176.8 | 0 | 0 | 0 | 0 | 109.7 | V365 T366 K371 K372 M373 L384 M387 V402 | V365-V369 HydrophobicContact CG1-CG2 4.22Å; V365-V369 WeakPolarHBondContact O-CG2 3.26Å; V365-V369 PolarHBondContact O-N 3.28Å; T366-V369 PolarHBondContact O-N 3.5Å; V369-K371 VanDerWaalsContact C-N 3.29Å; V369-K371 PolarHBondContact O-N 2.88Å; V369-K372 PolarHBondContact O-N 2.94Å; V369-K372 VanDerWaalsContact O-N 3.14Å; V369-M373 HydrophobicContact CG1-CG 4.17Å; V369-M373 HydrophobicContact CG1-SD 3.8Å; V369-M373 WeakPolarHBondContact O-CB 3.38Å; V369-M373 VanDerWaalsContact O-CG 3.24Å; V369-M373 WeakPolarHBondContact O-CG 3.42Å; V369-M373 PolarHBondContact O-N 3.4Å; V369-L384 HydrophobicContact CG1-CD2 4.38Å; V369-M387 HydrophobicContact CB-CE 4.38Å; V369-M387 HydrophobicContact CG2-CE 3.38Å; V369-M387 HydrophobicContact CG2-SD 4.48Å; V369-V402 HydrophobicContact CG1-CG1 4.46Å; V369-V402 HydrophobicContact CG2-CG1 4.11Å; V369-V402 HydrophobicContact CG2-CG2 4.18Å |
| 370 | Q | 91.1 | Very high | 89.5 | Confident | 99 Ų | 99 | 68.7 Ų | 68.7 | 46% | 0.463 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.4 | -39.9 | 179.6 | -73.7 | 178.1 | 1.5 | 0 | 0 | 112.5 | T366 Y368 M373 R374 | T366-Q370 HydrophobicContact CG2-CG 4.41Å; T366-Q370 WeakPolarHBondContact O-CB 3.48Å; T366-Q370 VanDerWaalsContact O-CG 3.3Å; T366-Q370 WeakPolarHBondContact O-CG 3.36Å; T366-Q370 PolarHBondContact O-N 3.23Å; Y368-Q370 PolarHBondContact O-N 2.83Å; Q370-M373 PolarHBondContact O-N 3.01Å; Q370-R374 WeakPolarHBondContact O-CG 3.46Å; Q370-R374 PolarHBondContact O-N 3.48Å |
| 371 | K | 89.8 | Confident | 89.3 | Confident | 156 Ų | 156 | 68.3 Ų | 68.3 | 68% | 0.678 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 176.6 | -175.6 | 179.9 | 178.4 | -178.5 | 0 | 111.6 | N367 Y368 V369 M373 R374 | N367-K371 WeakPolarHBondContact O-CB 3.37Å; N367-K371 PolarHBondContact O-N 2.92Å; Y368-K371 PolarHBondContact O-N 2.8Å; V369-K371 VanDerWaalsContact C-N 3.29Å; V369-K371 PolarHBondContact O-N 2.88Å; K371-M373 VanDerWaalsContact C-N 3.26Å; K371-M373 PolarHBondContact O-N 3.36Å; K371-R374 PolarHBondContact O-N 3.1Å |
| 372 | K | 87.8 | Confident | 88.9 | Confident | 48 Ų | 48 | 68.4 Ų | 68.4 | 21% | 0.209 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.8 | -31 | 176.7 | -154.3 | 80.3 | 165.5 | -167.4 | 0 | 111 | E320 Y368 V369 R374 L376 L384 | E320-K372 IonicContact OE1-NZ 3.38Å; E320-K372 PolarHBondContact OE1-NZ 3.19Å; E320-K372 IonicContact OE2-NZ 3.7Å; E320-K372 PolarHBondContact OE2-NZ 2.97Å; Y368-K372 PolarHBondContact O-N 3.01Å; V369-K372 PolarHBondContact O-N 2.94Å; V369-K372 VanDerWaalsContact O-N 3.14Å; K372-R374 VanDerWaalsContact C-N 3.32Å; K372-R374 PolarHBondContact O-N 3.34Å; K372-L376 WeakPolarHBondContact O-CD1 3.34Å; K372-L384 HydrophobicContact CB-CD2 3.99Å; K372-L384 HydrophobicContact CB-CG 4.4Å; K372-L384 HydrophobicContact CG-CD1 4.49Å; K372-L384 HydrophobicContact CG-CD2 4.1Å; K372-L384 HydrophobicContact CG-CG 4.12Å |
| 373 | M | 85.3 | Confident | 88.6 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 28% | 0.281 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.7 | -23.7 | 179.7 | -74.3 | -171.6 | 84.6 | 0 | 0 | 115.5 | V369 Q370 K371 S375 L376 L384 E407 | V369-M373 HydrophobicContact CG1-CG 4.17Å; V369-M373 HydrophobicContact CG1-SD 3.8Å; V369-M373 WeakPolarHBondContact O-CB 3.38Å; V369-M373 VanDerWaalsContact O-CG 3.24Å; V369-M373 WeakPolarHBondContact O-CG 3.42Å; V369-M373 PolarHBondContact O-N 3.4Å; Q370-M373 PolarHBondContact O-N 3.01Å; K371-M373 VanDerWaalsContact C-N 3.26Å; K371-M373 PolarHBondContact O-N 3.36Å; M373-S375 PolarHBondContact O-N 3.4Å; M373-L376 HydrophobicContact CB-CD1 4.3Å; M373-L376 HydrophobicContact CG-CD1 4.39Å; M373-L376 WeakPolarHBondContact O-CD1 3.21Å; M373-L384 HydrophobicContact CG-CD1 3.76Å; M373-E407 HydrophobicContact CE-CB 3.51Å; M373-E407 HydrophobicContact SD-CB 4.3Å |
| 374 | R | 82 | Confident | 88.4 | Confident | 212 Ų | 212 | 60.4 Ų | 60.4 | 80% | 0.8 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.1 | -176.7 | -69.6 | 174 | -172.5 | -175.5 | 1.5 | 114.3 | Q370 K371 K372 | Q370-R374 WeakPolarHBondContact O-CG 3.46Å; Q370-R374 PolarHBondContact O-N 3.48Å; K371-R374 PolarHBondContact O-N 3.1Å; K372-R374 VanDerWaalsContact C-N 3.32Å; K372-R374 PolarHBondContact O-N 3.34Å |
| 375 | S | 69.4 | Low | 88.2 | Confident | 97 Ų | 97 | 57.1 Ų | 57.1 | 68% | 0.678 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.3 | 75.1 | -178.5 | 63.6 | 0 | 0 | 0 | 0 | 112.2 | M373 | M373-S375 PolarHBondContact O-N 3.4Š|
| 376 | L | 81.1 | Confident | 87.9 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | trans | -90.7 | 108.1 | 178.6 | -96.2 | 73.5 | 0 | 0 | 0 | 112.2 | K372 M373 K381 L384 L411 | K372-L376 WeakPolarHBondContact O-CD1 3.34Å; M373-L376 HydrophobicContact CB-CD1 4.3Å; M373-L376 HydrophobicContact CG-CD1 4.39Å; M373-L376 WeakPolarHBondContact O-CD1 3.21Å; L376-K381 HydrophobicContact CB-CG 4.09Å; L376-K381 HydrophobicContact CD2-CB 4.19Å; L376-K381 HydrophobicContact CD2-CG 3.42Å; L376-K381 VanDerWaalsContact CD2-CG 3.42Å; L376-K381 HydrophobicContact CG-CG 4.02Å; L376-L384 HydrophobicContact CD1-CD1 3.71Å; L376-L384 HydrophobicContact CD2-CD1 3.73Å; L376-L384 HydrophobicContact CG-CD1 4.08Å; L376-L411 HydrophobicContact CD2-CD1 3.62Å; L376-L411 HydrophobicContact CD2-CD2 4.2Å | ||
| 377 | N | 86.2 | Confident | 87.9 | Confident | 92 Ų | 92 | 54.3 Ų | 54.3 | 49% | 0.492 | 26% | 0.261 | S | S | . | . | trans | -81.8 | 175.3 | 150.8 | 63.2 | -3.6 | 0 | 0 | 0 | 110 | E379 G380 K381 | N377-E379 PolarHBondContact O-N 2.93Å; N377-G380 PolarHBondContact O-N 3.3Å; N377-G380 PolarHBondContact OD1-N 3.31Å; N377-K381 WeakPolarHBondContact O-CG 3.4Å; N377-K381 PolarHBondContact O-N 3.14Å; N377-K381 VanDerWaalsContact O-N 3.11Å | ||
| 378 | E | 83.9 | Confident | 87.8 | Confident | 90 Ų | 90 | 51.1 Ų | 51.1 | 42% | 0.421 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55.7 | -38.5 | 176.9 | -70.3 | -158.2 | 149.2 | 0 | 0 | 113 | K381 I382 N420 | E378-K381 WeakPolarHBondContact O-CB 3.2Å; E378-K381 PolarHBondContact O-N 3.29Å; E378-I382 PolarHBondContact O-N 3.43Å; E378-I382 VanDerWaalsContact O-N 3.17Å; E378-N420 PolarHBondContact OE2-ND2 2.9Å; E378-N420 VanDerWaalsContact OE2-ND2 3.07Å |
| 379 | E | 85.7 | Confident | 87.6 | Confident | 73 Ų | 73 | 50.5 Ų | 50.5 | 34% | 0.341 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 177.9 | -165.5 | -170.3 | 157.6 | 0 | 0 | 111.8 | L328 T330 N377 K381 I382 Q383 | L328-E379 HydrophobicContact CD1-CG 3.71Å; L328-E379 HydrophobicContact CD2-CG 4.12Å; L328-E379 HydrophobicContact CG-CG 4.41Å; T330-E379 WeakPolarHBondContact CG2-OE1 3.3Å; N377-E379 PolarHBondContact O-N 2.93Å; E379-K381 VanDerWaalsContact C-N 3.27Å; E379-K381 PolarHBondContact O-N 3.31Å; E379-I382 PolarHBondContact O-N 3.41Å; E379-I382 VanDerWaalsContact O-N 3.16Å; E379-Q383 WeakPolarHBondContact O-CG 3.35Å; E379-Q383 PolarHBondContact O-N 2.88Å; E379-Q383 PolarHBondContact OE1-NE2 2.85Å; E379-Q383 VanDerWaalsContact OE1-NE2 3.13Å |
| 380 | G | 88.4 | Confident | 87.7 | Confident | 5 Ų | 5 | 50 Ų | 50 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -34 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N377 Q383 L384 | N377-G380 PolarHBondContact O-N 3.3Å; N377-G380 PolarHBondContact OD1-N 3.31Å; G380-Q383 PolarHBondContact O-N 2.76Å; G380-L384 WeakPolarHBondContact O-CB 3.49Å; G380-L384 PolarHBondContact O-N 3.38Å |
| 381 | K | 90.5 | Very high | 87.8 | Confident | 31 Ų | 31 | 45.3 Ų | 45.3 | 14% | 0.135 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.7 | -48 | 172.3 | -64.3 | 178.4 | 171.8 | 171.1 | 0 | 111.5 | L376 N377 E378 E379 L384 C385 L411 E414 M415 | L376-K381 HydrophobicContact CB-CG 4.09Å; L376-K381 HydrophobicContact CD2-CB 4.19Å; L376-K381 HydrophobicContact CD2-CG 3.42Å; L376-K381 VanDerWaalsContact CD2-CG 3.42Å; L376-K381 HydrophobicContact CG-CG 4.02Å; N377-K381 WeakPolarHBondContact O-CG 3.4Å; N377-K381 PolarHBondContact O-N 3.14Å; N377-K381 VanDerWaalsContact O-N 3.11Å; E378-K381 WeakPolarHBondContact O-CB 3.2Å; E378-K381 PolarHBondContact O-N 3.29Å; E379-K381 VanDerWaalsContact C-N 3.27Å; E379-K381 PolarHBondContact O-N 3.31Å; K381-L384 PolarHBondContact O-N 2.93Å; K381-C385 PolarHBondContact O-N 2.84Å; K381-L411 HydrophobicContact CB-CD1 3.85Å; K381-L411 HydrophobicContact CD-CD1 4.01Å; K381-L411 HydrophobicContact CG-CD1 3.55Å; K381-E414 VanDerWaalsContact CE-OE2 3.28Å; K381-E414 WeakPolarHBondContact CE-OE2 3.36Å; K381-E414 IonicContact NZ-OE1 3.51Å; K381-E414 PolarHBondContact NZ-OE1 2.81Å; K381-E414 IonicContact NZ-OE2 3.66Å; K381-E414 PolarHBondContact NZ-OE2 2.93Å; K381-M415 HydrophobicContact CB-CE 4.1Å; K381-M415 HydrophobicContact CB-CG 4Å; K381-M415 HydrophobicContact CB-SD 3.72Å; K381-M415 HydrophobicContact CD-CG 4.21Å |
| 382 | I | 89.9 | Confident | 87.9 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65 | -40.8 | 177.6 | -64.4 | 171 | 0 | 0 | 0 | 111.5 | N325 L328 E378 E379 C385 S386 M415 L422 | N325-I382 HydrophobicContact CB-CG2 4.41Å; L328-I382 HydrophobicContact CD1-CB 3.89Å; L328-I382 HydrophobicContact CD1-CG2 3.55Å; L328-I382 HydrophobicContact CD2-CD1 4.39Å; L328-I382 HydrophobicContact CG-CG2 4.27Å; E378-I382 PolarHBondContact O-N 3.43Å; E378-I382 VanDerWaalsContact O-N 3.17Å; E379-I382 PolarHBondContact O-N 3.41Å; E379-I382 VanDerWaalsContact O-N 3.16Å; I382-C385 PolarHBondContact O-N 3.49Å; I382-S386 WeakPolarHBondContact O-CB 3.21Å; I382-S386 PolarHBondContact O-N 3.42Å; I382-S386 PolarHBondContact O-OG 3.4Å; I382-M415 HydrophobicContact CG1-CE 3.95Å; I382-L422 HydrophobicContact CD1-CB 4.11Å; I382-L422 HydrophobicContact CD1-CD2 3.78Å; I382-L422 HydrophobicContact CD1-CG 3.95Å |
| 383 | Q | 90.4 | Very high | 87.9 | Confident | 18 Ų | 18 | 41.4 Ų | 41.4 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.2 | -44.6 | 176.6 | -74.4 | 177.3 | 6.8 | 0 | 0 | 112 | C323 L328 E379 G380 S386 M387 | C323-Q383 WeakPolarHBondContact CA-O 3.26Å; C323-Q383 HydrophobicContact CB-CB 3.98Å; C323-Q383 HydrophobicContact CB-CG 4.42Å; C323-Q383 WeakPolarHBondContact O-CA 3.28Å; C323-Q383 WeakPolarHBondContact O-CG 3.34Å; L328-Q383 HydrophobicContact CD1-CG 4.27Å; E379-Q383 WeakPolarHBondContact O-CG 3.35Å; E379-Q383 PolarHBondContact O-N 2.88Å; E379-Q383 PolarHBondContact OE1-NE2 2.85Å; E379-Q383 VanDerWaalsContact OE1-NE2 3.13Å; G380-Q383 PolarHBondContact O-N 2.76Å; Q383-S386 PolarHBondContact O-N 2.91Å; Q383-M387 PolarHBondContact O-N 3.33Å |
| 384 | L | 91 | Very high | 88.1 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 177 | -84.2 | 173.7 | 0 | 0 | 0 | 112.5 | V369 K372 M373 L376 G380 K381 S386 M387 A388 L411 | V369-L384 HydrophobicContact CG1-CD2 4.38Å; K372-L384 HydrophobicContact CB-CD2 3.99Å; K372-L384 HydrophobicContact CB-CG 4.4Å; K372-L384 HydrophobicContact CG-CD1 4.49Å; K372-L384 HydrophobicContact CG-CD2 4.1Å; K372-L384 HydrophobicContact CG-CG 4.12Å; M373-L384 HydrophobicContact CG-CD1 3.76Å; L376-L384 HydrophobicContact CD1-CD1 3.71Å; L376-L384 HydrophobicContact CD2-CD1 3.73Å; L376-L384 HydrophobicContact CG-CD1 4.08Å; G380-L384 WeakPolarHBondContact O-CB 3.49Å; G380-L384 PolarHBondContact O-N 3.38Å; K381-L384 PolarHBondContact O-N 2.93Å; L384-S386 VanDerWaalsContact C-N 3.32Å; L384-S386 PolarHBondContact O-N 3.42Å; L384-M387 HydrophobicContact CD2-CE 3.61Å; L384-M387 PolarHBondContact O-N 2.92Å; L384-A388 PolarHBondContact O-N 3.25Å; L384-L411 HydrophobicContact CB-CD2 4.2Å; L384-L411 HydrophobicContact CD1-CD2 4.33Å |
| 385 | C | 90.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.5 | -38.8 | 173.6 | -78.5 | 0 | 0 | 0 | 0 | 112 | K381 I382 M387 A388 T389 M415 | K381-C385 PolarHBondContact O-N 2.84Å; I382-C385 PolarHBondContact O-N 3.49Å; C385-M387 VanDerWaalsContact C-N 3.35Å; C385-M387 PolarHBondContact O-N 2.82Å; C385-A388 PolarHBondContact O-N 3.15Å; C385-T389 WeakPolarHBondContact O-CB 3.36Å; C385-T389 PolarHBondContact O-N 3.42Å; C385-T389 PolarHBondContact O-OG1 3.03Å; C385-M415 HydrophobicContact CB-CE 4.22Å; C385-M415 HydrophobicContact CB-SD 4.4Å; C385-M415 PolarHBondContact SG-SD 3.11Å |
| 386 | S | 91.2 | Very high | 89.5 | Confident | 5 Ų | 5 | 27 Ų | 27 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | S322 N325 I382 Q383 L384 T390 | S322-S386 CarbonylContact O-C 3.32Å; S322-S386 VanDerWaalsContact O-C 3.28Å; N325-S386 PolarHBondContact ND2-OG 3.39Å; I382-S386 WeakPolarHBondContact O-CB 3.21Å; I382-S386 PolarHBondContact O-N 3.42Å; I382-S386 PolarHBondContact O-OG 3.4Å; Q383-S386 PolarHBondContact O-N 2.91Å; L384-S386 VanDerWaalsContact C-N 3.32Å; L384-S386 PolarHBondContact O-N 3.42Å; S386-T390 PolarHBondContact O-N 3.04Å; S386-T390 PolarHBondContact O-OG1 3.02Å |
| 387 | M | 93 | Very high | 89.8 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.8 | -48.7 | 173.6 | 170.5 | -173.3 | 80.5 | 0 | 0 | 111.7 | L319 S322 Y368 V369 Q383 L384 C385 T389 T390 L391 | L319-M387 HydrophobicContact CB-SD 4.4Å; L319-M387 HydrophobicContact CD2-CG 4.34Å; L319-M387 HydrophobicContact CD2-SD 4.23Å; S322-M387 WeakPolarHBondContact O-CA 3.47Å; S322-M387 PolarHBondContact O-N 2.74Å; S322-M387 WeakPolarHBondContact OG-CB 3.26Å; S322-M387 VanDerWaalsContact OG-CG 3.23Å; S322-M387 WeakPolarHBondContact OG-CG 3.28Å; Y368-M387 HydrophobicContact CD1-SD 3.78Å; Y368-M387 HydrophobicContact CE1-SD 3.64Å; V369-M387 HydrophobicContact CB-CE 4.38Å; V369-M387 HydrophobicContact CG2-CE 3.38Å; V369-M387 HydrophobicContact CG2-SD 4.48Å; Q383-M387 PolarHBondContact O-N 3.33Å; L384-M387 HydrophobicContact CD2-CE 3.61Å; L384-M387 PolarHBondContact O-N 2.92Å; C385-M387 VanDerWaalsContact C-N 3.35Å; C385-M387 PolarHBondContact O-N 2.82Å; M387-T389 VanDerWaalsContact C-N 3.34Å; M387-T389 PolarHBondContact O-N 2.83Å; M387-T390 WeakPolarHBondContact O-CA 3.4Å; M387-T390 WeakPolarHBondContact O-CB 3.35Å; M387-T390 PolarHBondContact O-N 3.12Å; M387-T390 VanDerWaalsContact O-N 3.07Å; M387-L391 HydrophobicContact CG-CD1 4.05Å; M387-L391 HydrophobicContact CG-CG 4.49Å; M387-L391 WeakPolarHBondContact O-CG 3.45Å; M387-L391 PolarHBondContact O-N 3.04Å |
| 388 | A | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L384 C385 T390 L391 L392 F408 | L384-A388 PolarHBondContact O-N 3.25Å; C385-A388 PolarHBondContact O-N 3.15Å; A388-T390 VanDerWaalsContact C-N 3.29Å; A388-T390 PolarHBondContact O-N 3.35Å; A388-L391 PolarHBondContact O-N 3.28Å; A388-L392 WeakPolarHBondContact O-CB 3.48Å; A388-L392 VanDerWaalsContact O-CG 3.29Å; A388-L392 WeakPolarHBondContact O-CG 3.39Å; A388-L392 PolarHBondContact O-N 3.42Å; A388-F408 HydrophobicContact CB-CE1 3.99Å; A388-F408 HydrophobicContact CB-CE2 3.68Å; A388-F408 HydrophobicContact CB-CZ 3.24Å |
| 389 | T | 90.5 | Very high | 90.3 | Very high | 11 Ų | 11 | 19.3 Ų | 19.3 | 7% | 0.067 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.8 | -40.8 | 173.2 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | C385 M387 L392 R393 A430 H433 | C385-T389 WeakPolarHBondContact O-CB 3.36Å; C385-T389 PolarHBondContact O-N 3.42Å; C385-T389 PolarHBondContact O-OG1 3.03Å; M387-T389 VanDerWaalsContact C-N 3.34Å; M387-T389 PolarHBondContact O-N 2.83Å; T389-L392 PolarHBondContact O-N 2.97Å; T389-R393 WeakPolarHBondContact O-CG 3.42Å; T389-R393 PolarHBondContact O-N 3.32Å; T389-A430 WeakPolarHBondContact OG1-CA 3.38Å; T389-H433 VanDerWaalsContact CG2-CD2 3.47Å; T389-H433 WeakPolarHBondContact CG2-CD2 3.1Å |
| 390 | T | 92.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 176.3 | -53 | 0 | 0 | 0 | 0 | 111.6 | R338 V341 A342 L345 S386 M387 A388 R393 G394 | R338-T390 HydrophobicContact CG-CG2 4.09Å; R338-T390 WeakPolarHBondContact CG-OG1 3.3Å; V341-T390 HydrophobicContact CB-CG2 4.22Å; V341-T390 HydrophobicContact CG1-CG2 3.97Å; A342-T390 HydrophobicContact CB-CG2 3.99Å; A342-T390 WeakPolarHBondContact CB-O 3.32Å; L345-T390 HydrophobicContact CD1-CG2 4.45Å; S386-T390 PolarHBondContact O-N 3.04Å; S386-T390 PolarHBondContact O-OG1 3.02Å; M387-T390 WeakPolarHBondContact O-CA 3.4Å; M387-T390 WeakPolarHBondContact O-CB 3.35Å; M387-T390 PolarHBondContact O-N 3.12Å; M387-T390 VanDerWaalsContact O-N 3.07Å; A388-T390 VanDerWaalsContact C-N 3.29Å; A388-T390 PolarHBondContact O-N 3.35Å; T390-R393 PolarHBondContact O-N 2.82Å; T390-G394 PolarHBondContact O-N 3.3Å; T390-G394 VanDerWaalsContact O-N 3.08Å |
| 391 | L | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.4 | -39.6 | 176.9 | -70.7 | 168.6 | 0 | 0 | 0 | 112.4 | L319 L345 V365 M387 A388 R393 G394 P395 V402 | L319-L391 HydrophobicContact CD2-CD1 4.48Å; L319-L391 HydrophobicContact CD2-CD2 4.16Å; L345-L391 HydrophobicContact CD1-CD2 3.96Å; V365-L391 HydrophobicContact CG1-CD1 4.04Å; M387-L391 HydrophobicContact CG-CD1 4.05Å; M387-L391 HydrophobicContact CG-CG 4.49Å; M387-L391 WeakPolarHBondContact O-CG 3.45Å; M387-L391 PolarHBondContact O-N 3.04Å; A388-L391 PolarHBondContact O-N 3.28Å; L391-R393 PolarHBondContact O-N 3.31Å; L391-G394 CarbonylContact O-C 3.42Å; L391-G394 PolarHBondContact O-N 3.39Å; L391-P395 HydrophobicContact CD2-CG 3.78Å; L391-P395 CarbonylContact O-C 3.59Å; L391-P395 WeakPolarHBondContact O-CD 3.49Å; L391-V402 HydrophobicContact CD1-CG2 4.39Å |
| 392 | L | 90.3 | Very high | 90.2 | Very high | 11 Ų | 11 | 18.8 Ų | 18.8 | 6% | 0.058 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.4 | -24 | 176.8 | -71.9 | 164.6 | 0 | 0 | 0 | 113.1 | A388 T389 L396 F400 H433 T434 | A388-L392 WeakPolarHBondContact O-CB 3.48Å; A388-L392 VanDerWaalsContact O-CG 3.29Å; A388-L392 WeakPolarHBondContact O-CG 3.39Å; A388-L392 PolarHBondContact O-N 3.42Å; T389-L392 PolarHBondContact O-N 2.97Å; L392-L396 HydrophobicContact CD2-CD1 4.09Å; L392-F400 HydrophobicContact CD2-CB 4.5Å; L392-H433 HydrophobicContact CB-CB 3.91Å; L392-H433 HydrophobicContact CD1-CB 3.94Å; L392-T434 HydrophobicContact CD1-CG2 3.64Å; L392-T434 HydrophobicContact CD2-CG2 4.29Å |
| 393 | R | 87.9 | Confident | 90 | Very high | 112 Ų | 112 | 18.7 Ų | 18.7 | 42% | 0.423 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -87.8 | -16.1 | 171.7 | -67.6 | 173.4 | 73.1 | 105.3 | 0.1 | 113.2 | D339 A342 T389 T390 L391 H433 | D339-R393 IonicContact OD1-CZ 3.12Å; D339-R393 VanDerWaalsContact OD1-CZ 3.29Å; D339-R393 IonicContact OD1-NE 2.98Å; D339-R393 PolarHBondContact OD1-NE 3.09Å; D339-R393 IonicContact OD1-NH2 2.82Å; D339-R393 PolarHBondContact OD1-NH2 3.28Å; D339-R393 IonicContact OD2-NH2 2.68Å; D339-R393 PolarHBondContact OD2-NH2 3.46Å; A342-R393 HydrophobicContact CB-CB 4.08Å; T389-R393 WeakPolarHBondContact O-CG 3.42Å; T389-R393 PolarHBondContact O-N 3.32Å; T390-R393 PolarHBondContact O-N 2.82Å; L391-R393 PolarHBondContact O-N 3.31Å; R393-H433 PolarHBondContact NH1-CE1 2.63Å; R393-H433 PolarHBondContact NH1-NE2 3.34Å |
| 394 | G | 90.3 | Very high | 89.5 | Confident | 16 Ų | 16 | 20 Ų | 20 | 17% | 0.165 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -110 | -111 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A342 T390 L391 L396 | A342-G394 VanDerWaalsContact O-CA 3.3Å; A342-G394 WeakPolarHBondContact O-CA 3.3Å; T390-G394 PolarHBondContact O-N 3.3Å; T390-G394 VanDerWaalsContact O-N 3.08Å; L391-G394 CarbonylContact O-C 3.42Å; L391-G394 PolarHBondContact O-N 3.39Å; G394-L396 VanDerWaalsContact C-N 3.28Å; G394-L396 PolarHBondContact O-N 3.45Å |
| 395 | P | 92.2 | Very high | 89.3 | Confident | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.032 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -72.4 | 82 | 176.7 | 32.5 | -35.3 | 0 | 0 | 0 | 110.7 | L345 Y349 L391 D397 V398 G399 | L345-P395 HydrophobicContact CB-CG 4.11Å; Y349-P395 HydrophobicContact CD1-CB 4.24Å; Y349-P395 HydrophobicContact CG-CB 4.06Å; L391-P395 HydrophobicContact CD2-CG 3.78Å; L391-P395 CarbonylContact O-C 3.59Å; L391-P395 WeakPolarHBondContact O-CD 3.49Å; P395-D397 PolarHBondContact O-N 2.94Å; P395-D397 VanDerWaalsContact O-N 3.09Å; P395-V398 HydrophobicContact CB-CB 4.24Å; P395-V398 HydrophobicContact CB-CG2 4.11Å; P395-V398 HydrophobicContact CG-CB 4.32Å; P395-V398 PolarHBondContact O-N 3.14Å; P395-G399 PolarHBondContact O-N 3.24Å |
| 396 | L | 88.7 | Confident | 89 | Confident | 41 Ų | 41 | 26.3 Ų | 26.3 | 22% | 0.215 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -51.2 | -39.1 | -171.5 | 176.3 | 62.8 | 0 | 0 | 0 | 113.5 | L392 G394 V398 G399 F400 S436 R437 | L392-L396 HydrophobicContact CD2-CD1 4.09Å; G394-L396 VanDerWaalsContact C-N 3.28Å; G394-L396 PolarHBondContact O-N 3.45Å; L396-V398 PolarHBondContact O-N 3.01Å; L396-G399 PolarHBondContact O-N 3.25Å; L396-F400 WeakPolarHBondContact O-CB 3.34Å; L396-F400 PolarHBondContact O-N 3.04Å; L396-S436 WeakPolarHBondContact CD1-OG 3.33Å; L396-R437 HydrophobicContact CD2-CG 4.45Å |
| 397 | D | 87.3 | Confident | 88.7 | Confident | 67 Ų | 67 | 31.3 Ų | 31.3 | 36% | 0.358 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 179.2 | -67.9 | -13 | 0 | 0 | 0 | 112.9 | P395 A401 R440 | P395-D397 PolarHBondContact O-N 2.94Å; P395-D397 VanDerWaalsContact O-N 3.09Å; D397-A401 WeakPolarHBondContact O-CB 3.19Å; D397-A401 PolarHBondContact O-N 3.3Å; D397-R440 IonicContact OD1-CZ 3.68Å; D397-R440 IonicContact OD1-NH1 2.76Å; D397-R440 PolarHBondContact OD1-NH1 2.85Å; D397-R440 IonicContact OD1-NH2 3.56Å; D397-R440 PolarHBondContact OD1-NH2 2.94Å |
| 398 | V | 91.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.024 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.1 | -44.2 | 177.8 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | Y349 Y361 K362 V365 P395 L396 F400 A401 V402 | Y349-V398 HydrophobicContact CD2-CG2 3.76Å; Y349-V398 HydrophobicContact CE2-CG2 3.6Å; Y349-V398 HydrophobicContact CG-CG2 4.39Å; Y361-V398 HydrophobicContact CD1-CG1 4.47Å; Y361-V398 HydrophobicContact CD1-CG2 4.12Å; Y361-V398 HydrophobicContact CE1-CG1 4.18Å; Y361-V398 HydrophobicContact CE1-CG2 4.03Å; K362-V398 HydrophobicContact CG-CG2 4.07Å; V365-V398 HydrophobicContact CB-CG1 4.1Å; V365-V398 HydrophobicContact CG1-CG1 3.94Å; V365-V398 HydrophobicContact CG2-CG1 4Å; P395-V398 HydrophobicContact CB-CB 4.24Å; P395-V398 HydrophobicContact CB-CG2 4.11Å; P395-V398 HydrophobicContact CG-CB 4.32Å; P395-V398 PolarHBondContact O-N 3.14Å; L396-V398 PolarHBondContact O-N 3.01Å; V398-F400 VanDerWaalsContact C-N 3.31Å; V398-F400 PolarHBondContact O-N 3.07Å; V398-A401 PolarHBondContact O-N 3.18Å; V398-V402 WeakPolarHBondContact O-CG2 3.13Å; V398-V402 PolarHBondContact O-N 3Å |
| 399 | G | 90.1 | Very high | 88 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -41.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P395 L396 V402 A403 | P395-G399 PolarHBondContact O-N 3.24Å; L396-G399 PolarHBondContact O-N 3.25Å; G399-V402 PolarHBondContact O-N 3.41Å; G399-A403 WeakPolarHBondContact O-CB 3.28Å; G399-A403 PolarHBondContact O-N 3.39Å |
| 400 | F | 86.5 | Confident | 87.8 | Confident | 35 Ų | 35 | 36.7 Ų | 36.7 | 15% | 0.154 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67 | -44.1 | 176.3 | -168.6 | -98.7 | 0 | 0 | 0 | 111.6 | L392 L396 V398 V402 A403 S404 R440 F444 | L392-F400 HydrophobicContact CD2-CB 4.5Å; L396-F400 WeakPolarHBondContact O-CB 3.34Å; L396-F400 PolarHBondContact O-N 3.04Å; V398-F400 VanDerWaalsContact C-N 3.31Å; V398-F400 PolarHBondContact O-N 3.07Å; F400-V402 VanDerWaalsContact C-N 3.28Å; F400-V402 PolarHBondContact O-N 2.95Å; F400-A403 PolarHBondContact O-N 2.74Å; F400-A403 VanDerWaalsContact O-N 3.12Å; F400-S404 WeakPolarHBondContact CD1-OG 3.4Å; F400-S404 WeakPolarHBondContact CE1-OG 3.4Å; F400-S404 WeakPolarHBondContact CZ-OG 3.21Å; F400-S404 WeakPolarHBondContact O-CB 3.37Å; F400-S404 PolarHBondContact O-N 3.07Å; F400-S404 PolarHBondContact O-OG 3.06Å; F400-S404 VanDerWaalsContact O-OG 3.05Å; F400-R440 HydrophobicContact CD2-CB 4.24Å; F400-R440 HydrophobicContact CE1-CB 4.28Å; F400-R440 HydrophobicContact CE1-CG 4.32Å; F400-R440 HydrophobicContact CE2-CB 3.62Å; F400-R440 HydrophobicContact CE2-CG 4.38Å; F400-R440 HydrophobicContact CZ-CB 3.64Å; F400-R440 HydrophobicContact CZ-CG 4.17Å; F400-R440 WeakPolarHBondContact CZ-O 3.42Å; F400-F444 HydrophobicContact CE2-CD2 4.26Å |
| 401 | A | 87.5 | Confident | 87.6 | Confident | 55 Ų | 55 | 37 Ų | 37 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.7 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | D397 V398 T405 | D397-A401 WeakPolarHBondContact O-CB 3.19Å; D397-A401 PolarHBondContact O-N 3.3Å; V398-A401 PolarHBondContact O-N 3.18Å; A401-T405 WeakPolarHBondContact O-CG2 3.41Å |
| 402 | V | 88.1 | Confident | 87.3 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.9 | -47.5 | 173.6 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | V365 V369 L391 V398 G399 F400 S404 T405 F408 | V365-V402 HydrophobicContact CG1-CG2 3.83Å; V369-V402 HydrophobicContact CG1-CG1 4.46Å; V369-V402 HydrophobicContact CG2-CG1 4.11Å; V369-V402 HydrophobicContact CG2-CG2 4.18Å; L391-V402 HydrophobicContact CD1-CG2 4.39Å; V398-V402 WeakPolarHBondContact O-CG2 3.13Å; V398-V402 PolarHBondContact O-N 3Å; G399-V402 PolarHBondContact O-N 3.41Å; F400-V402 VanDerWaalsContact C-N 3.28Å; F400-V402 PolarHBondContact O-N 2.95Å; V402-S404 VanDerWaalsContact C-N 3.33Å; V402-S404 PolarHBondContact O-N 2.92Å; V402-T405 PolarHBondContact O-N 3.4Å; V402-T405 PolarHBondContact O-OG1 2.86Å; V402-F408 WeakPolarHBondContact O-CB 3.25Å |
| 403 | A | 84.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -34.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G399 F400 T405 F408 T434 F444 | G399-A403 WeakPolarHBondContact O-CB 3.28Å; G399-A403 PolarHBondContact O-N 3.39Å; F400-A403 PolarHBondContact O-N 2.74Å; F400-A403 VanDerWaalsContact O-N 3.12Å; A403-T405 PolarHBondContact O-N 3.4Å; A403-F408 HydrophobicContact CB-CD1 4.13Å; A403-F408 HydrophobicContact CB-CE1 4.17Å; A403-T434 HydrophobicContact CB-CG2 3.71Å; A403-F444 HydrophobicContact CB-CE2 4.26Å; A403-F444 HydrophobicContact CB-CZ 4.1Å; A403-F444 VanDerWaalsContact O-CZ 3.27Å; A403-F444 WeakPolarHBondContact O-CZ 3.07Å |
| 404 | S | 81.8 | Confident | 87.2 | Confident | 46 Ų | 46 | 39.1 Ų | 39.1 | 32% | 0.322 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -4.2 | 179.6 | -63.4 | 0 | 0 | 0 | 0 | 114.3 | F400 V402 | F400-S404 WeakPolarHBondContact CD1-OG 3.4Å; F400-S404 WeakPolarHBondContact CE1-OG 3.4Å; F400-S404 WeakPolarHBondContact CZ-OG 3.21Å; F400-S404 WeakPolarHBondContact O-CB 3.37Å; F400-S404 PolarHBondContact O-N 3.07Å; F400-S404 PolarHBondContact O-OG 3.06Å; F400-S404 VanDerWaalsContact O-OG 3.05Å; V402-S404 VanDerWaalsContact C-N 3.33Å; V402-S404 PolarHBondContact O-N 2.92Å |
| 405 | T | 86.1 | Confident | 87.2 | Confident | 43 Ų | 43 | 38.4 Ų | 38.4 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -66.8 | 136.9 | 175.9 | 58.1 | 0 | 0 | 0 | 0 | 111 | A401 V402 A403 E407 F408 T409 | A401-T405 WeakPolarHBondContact O-CG2 3.41Å; V402-T405 PolarHBondContact O-N 3.4Å; V402-T405 PolarHBondContact O-OG1 2.86Å; A403-T405 PolarHBondContact O-N 3.4Å; T405-E407 WeakPolarHBondContact CB-OE2 3.39Å; T405-E407 PolarHBondContact O-N 3.12Å; T405-F408 PolarHBondContact O-N 3.27Å; T405-F408 VanDerWaalsContact O-N 3.07Å; T405-F408 WeakPolarHBondContact OG1-CB 3.3Å; T405-F408 PolarHBondContact OG1-N 2.99Å; T405-T409 PolarHBondContact O-N 3.3Å |
| 406 | P | 84 | Confident | 87 | Confident | 93 Ų | 93 | 38.4 Ų | 38.4 | 60% | 0.604 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -52.4 | -38.1 | 175.8 | -27.2 | 34.6 | 0 | 0 | 0 | 112.7 | F408 T409 S410 | P406-F408 PolarHBondContact O-N 3.45Å; P406-T409 WeakPolarHBondContact CA-OG1 3.39Å; P406-T409 PolarHBondContact O-N 3.2Å; P406-T409 PolarHBondContact O-OG1 2.92Å; P406-S410 WeakPolarHBondContact O-CB 3.34Å; P406-S410 PolarHBondContact O-N 3.02Å |
| 407 | E | 85.1 | Confident | 87 | Confident | 110 Ų | 110 | 40.1 Ų | 40.1 | 51% | 0.514 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 179.6 | -56.2 | 81.5 | 176.5 | 0 | 0 | 111.7 | M373 T405 L411 | M373-E407 HydrophobicContact CE-CB 3.51Å; M373-E407 HydrophobicContact SD-CB 4.3Å; T405-E407 WeakPolarHBondContact CB-OE2 3.39Å; T405-E407 PolarHBondContact O-N 3.12Å; E407-L411 WeakPolarHBondContact O-CB 3.3Å; E407-L411 PolarHBondContact O-N 3.2Å |
| 408 | F | 86.4 | Confident | 87.1 | Confident | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.5 | -37.4 | 176.1 | -165.9 | -99.9 | 0 | 0 | 0 | 112.4 | A388 V402 A403 T405 P406 S410 L411 I412 | A388-F408 HydrophobicContact CB-CE1 3.99Å; A388-F408 HydrophobicContact CB-CE2 3.68Å; A388-F408 HydrophobicContact CB-CZ 3.24Å; V402-F408 WeakPolarHBondContact O-CB 3.25Å; A403-F408 HydrophobicContact CB-CD1 4.13Å; A403-F408 HydrophobicContact CB-CE1 4.17Å; T405-F408 PolarHBondContact O-N 3.27Å; T405-F408 VanDerWaalsContact O-N 3.07Å; T405-F408 WeakPolarHBondContact OG1-CB 3.3Å; T405-F408 PolarHBondContact OG1-N 2.99Å; P406-F408 PolarHBondContact O-N 3.45Å; F408-S410 VanDerWaalsContact C-N 3.31Å; F408-S410 PolarHBondContact O-N 3.36Å; F408-L411 HydrophobicContact CD2-CD2 3.97Å; F408-L411 HydrophobicContact CE2-CD2 4.07Å; F408-L411 WeakPolarHBondContact O-CB 3.33Å; F408-L411 PolarHBondContact O-N 3.07Å; F408-I412 HydrophobicContact CD1-CD1 3.73Å; F408-I412 HydrophobicContact CD1-CG1 4.05Å; F408-I412 HydrophobicContact CE1-CD1 3.52Å; F408-I412 HydrophobicContact CE1-CG1 3.86Å; F408-I412 HydrophobicContact CZ-CD1 4.44Å; F408-I412 HydrophobicContact CZ-CG1 4.39Å; F408-I412 WeakPolarHBondContact O-CG1 3.1Å; F408-I412 PolarHBondContact O-N 3.23Å |
| 409 | T | 83 | Confident | 87 | Confident | 47 Ų | 47 | 43.2 Ų | 43.2 | 29% | 0.288 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 174.9 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | T405 P406 S413 F444 | T405-T409 PolarHBondContact O-N 3.3Å; P406-T409 WeakPolarHBondContact CA-OG1 3.39Å; P406-T409 PolarHBondContact O-N 3.2Å; P406-T409 PolarHBondContact O-OG1 2.92Å; T409-S413 WeakPolarHBondContact O-CB 3.41Å; T409-S413 PolarHBondContact O-N 3.31Å; T409-S413 VanDerWaalsContact O-N 3.11Å; T409-S413 PolarHBondContact O-OG 3.46Å; T409-F444 HydrophobicContact CG2-CZ 4.16Å |
| 410 | S | 86.4 | Confident | 86.9 | Confident | 75 Ų | 75 | 45.3 Ų | 45.3 | 52% | 0.524 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 172 | -175.9 | 0 | 0 | 0 | 0 | 111 | P406 F408 I412 S413 E414 | P406-S410 WeakPolarHBondContact O-CB 3.34Å; P406-S410 PolarHBondContact O-N 3.02Å; F408-S410 VanDerWaalsContact C-N 3.31Å; F408-S410 PolarHBondContact O-N 3.36Å; S410-I412 PolarHBondContact O-N 3.07Å; S410-S413 PolarHBondContact O-N 2.91Å; S410-E414 PolarHBondContact O-N 3.47Å |
| 411 | L | 88.7 | Confident | 87.1 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.8 | -48.5 | 175.3 | 173.2 | 64.3 | 0 | 0 | 0 | 112.5 | L376 K381 L384 E407 F408 S413 E414 M415 | L376-L411 HydrophobicContact CD2-CD1 3.62Å; L376-L411 HydrophobicContact CD2-CD2 4.2Å; K381-L411 HydrophobicContact CB-CD1 3.85Å; K381-L411 HydrophobicContact CD-CD1 4.01Å; K381-L411 HydrophobicContact CG-CD1 3.55Å; L384-L411 HydrophobicContact CB-CD2 4.2Å; L384-L411 HydrophobicContact CD1-CD2 4.33Å; E407-L411 WeakPolarHBondContact O-CB 3.3Å; E407-L411 PolarHBondContact O-N 3.2Å; F408-L411 HydrophobicContact CD2-CD2 3.97Å; F408-L411 HydrophobicContact CE2-CD2 4.07Å; F408-L411 WeakPolarHBondContact O-CB 3.33Å; F408-L411 PolarHBondContact O-N 3.07Å; L411-S413 VanDerWaalsContact C-N 3.31Å; L411-S413 PolarHBondContact O-N 3.36Å; L411-E414 PolarHBondContact O-N 3.34Å; L411-M415 HydrophobicContact CD1-CG 4.07Å; L411-M415 HydrophobicContact CD1-SD 3.92Å; L411-M415 HydrophobicContact CG-SD 4.01Å; L411-M415 WeakPolarHBondContact O-CB 3.42Å; L411-M415 VanDerWaalsContact O-CG 3.29Å; L411-M415 WeakPolarHBondContact O-CG 3.44Å; L411-M415 PolarHBondContact O-N 3.01Å |
| 412 | I | 87.9 | Confident | 87.1 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 176.6 | -70 | 176.6 | 0 | 0 | 0 | 110.5 | F408 S410 E414 M415 A416 A427 A430 I431 F444 | F408-I412 HydrophobicContact CD1-CD1 3.73Å; F408-I412 HydrophobicContact CD1-CG1 4.05Å; F408-I412 HydrophobicContact CE1-CD1 3.52Å; F408-I412 HydrophobicContact CE1-CG1 3.86Å; F408-I412 HydrophobicContact CZ-CD1 4.44Å; F408-I412 HydrophobicContact CZ-CG1 4.39Å; F408-I412 WeakPolarHBondContact O-CG1 3.1Å; F408-I412 PolarHBondContact O-N 3.23Å; S410-I412 PolarHBondContact O-N 3.07Å; I412-E414 VanDerWaalsContact C-N 3.34Å; I412-E414 PolarHBondContact O-N 3.31Å; I412-M415 PolarHBondContact O-N 3.26Å; I412-A416 VanDerWaalsContact O-CB 3.3Å; I412-A416 WeakPolarHBondContact O-CB 3.43Å; I412-A416 PolarHBondContact O-N 3.29Å; I412-A427 HydrophobicContact CG2-CB 4.24Å; I412-A430 HydrophobicContact CD1-CB 4.44Å; I412-I431 HydrophobicContact CD1-CG1 4.36Å; I412-I431 HydrophobicContact CG2-CD1 3.68Å; I412-I431 HydrophobicContact CG2-CG1 3.8Å; I412-F444 HydrophobicContact CD1-CE1 4.26Å |
| 413 | S | 86.7 | Confident | 87.2 | Confident | 57 Ų | 57 | 44.3 Ų | 44.3 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | -178.2 | -61 | 0 | 0 | 0 | 0 | 111.7 | T409 S410 L411 C417 | T409-S413 WeakPolarHBondContact O-CB 3.41Å; T409-S413 PolarHBondContact O-N 3.31Å; T409-S413 VanDerWaalsContact O-N 3.11Å; T409-S413 PolarHBondContact O-OG 3.46Å; S410-S413 PolarHBondContact O-N 2.91Å; L411-S413 VanDerWaalsContact C-N 3.31Å; L411-S413 PolarHBondContact O-N 3.36Å; S413-C417 PolarHBondContact O-N 3.2Å; S413-C417 PolarHBondContact O-SG 2.81Å |
| 414 | E | 89.5 | Confident | 87.6 | Confident | 105 Ų | 105 | 45.6 Ų | 45.6 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 175.1 | -168.1 | -168.5 | 176.7 | 0 | 0 | 111.4 | K381 S410 L411 I412 A416 C417 S418 | K381-E414 VanDerWaalsContact CE-OE2 3.28Å; K381-E414 WeakPolarHBondContact CE-OE2 3.36Å; K381-E414 IonicContact NZ-OE1 3.51Å; K381-E414 PolarHBondContact NZ-OE1 2.81Å; K381-E414 IonicContact NZ-OE2 3.66Å; K381-E414 PolarHBondContact NZ-OE2 2.93Å; S410-E414 PolarHBondContact O-N 3.47Å; L411-E414 PolarHBondContact O-N 3.34Å; I412-E414 VanDerWaalsContact C-N 3.34Å; I412-E414 PolarHBondContact O-N 3.31Å; E414-A416 VanDerWaalsContact C-N 3.31Å; E414-A416 PolarHBondContact O-N 3.1Å; E414-C417 CarbonylContact O-C 3.48Å; E414-C417 PolarHBondContact O-N 2.96Å; E414-S418 PolarHBondContact O-N 3.37Å; E414-S418 VanDerWaalsContact O-N 3.11Å |
| 415 | M | 90 | Very high | 88.1 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.7 | -38 | 178.2 | -72.2 | 179 | 74.1 | 0 | 0 | 112.4 | K381 I382 C385 L411 I412 C417 S418 C423 A427 | K381-M415 HydrophobicContact CB-CE 4.1Å; K381-M415 HydrophobicContact CB-CG 4Å; K381-M415 HydrophobicContact CB-SD 3.72Å; K381-M415 HydrophobicContact CD-CG 4.21Å; I382-M415 HydrophobicContact CG1-CE 3.95Å; C385-M415 HydrophobicContact CB-CE 4.22Å; C385-M415 HydrophobicContact CB-SD 4.4Å; C385-M415 PolarHBondContact SG-SD 3.11Å; L411-M415 HydrophobicContact CD1-CG 4.07Å; L411-M415 HydrophobicContact CD1-SD 3.92Å; L411-M415 HydrophobicContact CG-SD 4.01Å; L411-M415 WeakPolarHBondContact O-CB 3.42Å; L411-M415 VanDerWaalsContact O-CG 3.29Å; L411-M415 WeakPolarHBondContact O-CG 3.44Å; L411-M415 PolarHBondContact O-N 3.01Å; I412-M415 PolarHBondContact O-N 3.26Å; M415-C417 PolarHBondContact O-N 2.86Å; M415-S418 WeakPolarHBondContact O-CB 2.63Å; M415-S418 PolarHBondContact O-N 3.45Å; M415-S418 PolarHBondContact O-OG 3.34Å; M415-C423 HydrophobicContact CB-CB 4.35Å; M415-C423 HydrophobicContact CE-CB 4.19Å; M415-A427 HydrophobicContact CB-CB 3.88Å |
| 416 | A | 88.3 | Confident | 88.3 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -24 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I412 E414 A427 V451 L455 | I412-A416 VanDerWaalsContact O-CB 3.3Å; I412-A416 WeakPolarHBondContact O-CB 3.43Å; I412-A416 PolarHBondContact O-N 3.29Å; E414-A416 VanDerWaalsContact C-N 3.31Å; E414-A416 PolarHBondContact O-N 3.1Å; A416-A427 HydrophobicContact CB-CB 4.37Å; A416-V451 HydrophobicContact CB-CG1 3.44Å; A416-V451 VanDerWaalsContact CB-CG1 3.44Å; A416-L455 HydrophobicContact CB-CD1 4.09Å; A416-L455 HydrophobicContact CB-CD2 4.06Å; A416-L455 HydrophobicContact CB-CG 4.26Å; A416-L455 WeakPolarHBondContact O-CD2 3.17Å |
| 417 | C | 89.1 | Confident | 88.5 | Confident | 78 Ų | 78 | 37.4 Ų | 37.4 | 53% | 0.527 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -94.1 | -3.9 | 175.6 | -60.4 | 0 | 0 | 0 | 0 | 113.6 | S413 E414 M415 R454 | S413-C417 PolarHBondContact O-N 3.2Å; S413-C417 PolarHBondContact O-SG 2.81Å; E414-C417 CarbonylContact O-C 3.48Å; E414-C417 PolarHBondContact O-N 2.96Å; M415-C417 PolarHBondContact O-N 2.86Å; C417-R454 PolarHBondContact SG-NH1 2.96Å |
| 418 | S | 89 | Confident | 88.8 | Confident | 21 Ų | 21 | 32.2 Ų | 32.2 | 15% | 0.147 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -67.7 | 156.1 | 179.2 | 72.2 | 0 | 0 | 0 | 0 | 111.7 | E414 M415 N420 C423 Q424 | E414-S418 PolarHBondContact O-N 3.37Å; E414-S418 VanDerWaalsContact O-N 3.11Å; M415-S418 WeakPolarHBondContact O-CB 2.63Å; M415-S418 PolarHBondContact O-N 3.45Å; M415-S418 PolarHBondContact O-OG 3.34Å; S418-N420 PolarHBondContact OG-O 3.27Å; S418-C423 WeakPolarHBondContact OG-CB 3.36Å; S418-Q424 PolarHBondContact O-NE2 3.1Å |
| 419 | S | 87.8 | Confident | 88.9 | Confident | 115 Ų | 115 | 34.1 Ų | 34.1 | 80% | 0.804 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -76.6 | -12.7 | 172.4 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | P421 | S419-P421 WeakPolarHBondContact O-CD 3.48Š|
| 420 | N | 89.7 | Confident | 89.1 | Confident | 43 Ų | 43 | 31.9 Ų | 31.9 | 23% | 0.23 | 20% | 0.196 | C | C | . | . | trans | -84.5 | 114.9 | -176.2 | -175.3 | -18.7 | 0 | 0 | 0 | 110.5 | E378 S418 L422 C423 Q424 | E378-N420 PolarHBondContact OE2-ND2 2.9Å; E378-N420 VanDerWaalsContact OE2-ND2 3.07Å; S418-N420 PolarHBondContact OG-O 3.27Å; N420-L422 PolarHBondContact O-N 3.28Å; N420-L422 VanDerWaalsContact O-N 3.11Å; N420-L422 VanDerWaalsContact OD1-CB 3.26Å; N420-L422 WeakPolarHBondContact OD1-CB 2.82Å; N420-L422 PolarHBondContact OD1-N 2.95Å; N420-C423 HydrophobicContact CB-CB 4.11Å; N420-C423 WeakPolarHBondContact O-CB 3.35Å; N420-C423 PolarHBondContact O-N 3.19Å; N420-C423 VanDerWaalsContact O-N 3.11Å; N420-Q424 PolarHBondContact O-N 3.32Å; N420-Q424 VanDerWaalsContact O-N 3.12Å | ||
| 421 | P | 89.3 | Confident | 89.2 | Confident | 44 Ų | 44 | 28.5 Ų | 28.5 | 29% | 0.286 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59 | -26.9 | -179.5 | -25.4 | 36.2 | 0 | 0 | 0 | 113.7 | S419 S425 E460 V463 | S419-P421 WeakPolarHBondContact O-CD 3.48Å; P421-S425 VanDerWaalsContact O-CB 3.29Å; P421-S425 WeakPolarHBondContact O-CB 2.99Å; P421-S425 PolarHBondContact O-N 3.48Å; P421-S425 PolarHBondContact O-OG 3.37Å; P421-E460 HydrophobicContact CB-CB 4.43Å; P421-E460 HydrophobicContact CB-CG 3.94Å; P421-E460 HydrophobicContact CG-CG 3.77Å; P421-V463 HydrophobicContact CB-CG2 4.22Å; P421-V463 WeakPolarHBondContact O-CG2 3.39Å |
| 422 | L | 88.7 | Confident | 89.1 | Confident | 31 Ų | 31 | 28.5 Ų | 28.5 | 16% | 0.162 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72.8 | -39.4 | 179.7 | -159.6 | 69.4 | 0 | 0 | 0 | 111.7 | R327 L328 I382 N420 S425 S426 | R327-L422 HydrophobicContact CB-CD1 4.15Å; R327-L422 HydrophobicContact CB-CD2 4.24Å; R327-L422 HydrophobicContact CG-CD1 4.38Å; L328-L422 HydrophobicContact CD2-CD2 3.99Å; L328-L422 HydrophobicContact CG-CD2 4.45Å; I382-L422 HydrophobicContact CD1-CB 4.11Å; I382-L422 HydrophobicContact CD1-CD2 3.78Å; I382-L422 HydrophobicContact CD1-CG 3.95Å; N420-L422 PolarHBondContact O-N 3.28Å; N420-L422 VanDerWaalsContact O-N 3.11Å; N420-L422 VanDerWaalsContact OD1-CB 3.26Å; N420-L422 WeakPolarHBondContact OD1-CB 2.82Å; N420-L422 PolarHBondContact OD1-N 2.95Å; L422-S425 PolarHBondContact O-N 2.88Å; L422-S426 WeakPolarHBondContact O-CB 3.48Å; L422-S426 PolarHBondContact O-N 2.93Å; L422-S426 PolarHBondContact O-OG 2.92Å |
| 423 | C | 90.3 | Very high | 89 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.4 | -47.4 | 171.4 | -75.6 | 0 | 0 | 0 | 0 | 110.8 | M415 S418 N420 S425 S426 A427 | M415-C423 HydrophobicContact CB-CB 4.35Å; M415-C423 HydrophobicContact CE-CB 4.19Å; S418-C423 WeakPolarHBondContact OG-CB 3.36Å; N420-C423 HydrophobicContact CB-CB 4.11Å; N420-C423 WeakPolarHBondContact O-CB 3.35Å; N420-C423 PolarHBondContact O-N 3.19Å; N420-C423 VanDerWaalsContact O-N 3.11Å; C423-S425 VanDerWaalsContact C-N 3.35Å; C423-S425 PolarHBondContact O-N 3.03Å; C423-S426 PolarHBondContact O-N 3.03Å; C423-A427 WeakPolarHBondContact O-CB 3.41Å; C423-A427 PolarHBondContact O-N 3.33Å |
| 424 | Q | 92.7 | Very high | 88.6 | Confident | 27 Ų | 27 | 26.9 Ų | 26.9 | 13% | 0.126 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.3 | -45.8 | 176.2 | -68.3 | -177.7 | -2.5 | 0 | 0 | 112 | S418 N420 A427 A428 L455 S458 V463 | S418-Q424 PolarHBondContact O-NE2 3.1Å; N420-Q424 PolarHBondContact O-N 3.32Å; N420-Q424 VanDerWaalsContact O-N 3.12Å; Q424-A427 PolarHBondContact O-N 3.11Å; Q424-A428 PolarHBondContact O-N 3.23Å; Q424-L455 HydrophobicContact CB-CD2 3.91Å; Q424-L455 HydrophobicContact CG-CD2 4Å; Q424-S458 PolarHBondContact OE1-OG 3.36Å; Q424-V463 HydrophobicContact CB-CG1 3.83Å; Q424-V463 HydrophobicContact CB-CG2 3.82Å |
| 425 | S | 91.1 | Very high | 88 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 177.8 | -64.6 | 0 | 0 | 0 | 0 | 112 | P421 L422 C423 A427 A428 D429 V463 | P421-S425 VanDerWaalsContact O-CB 3.29Å; P421-S425 WeakPolarHBondContact O-CB 2.99Å; P421-S425 PolarHBondContact O-N 3.48Å; P421-S425 PolarHBondContact O-OG 3.37Å; L422-S425 PolarHBondContact O-N 2.88Å; C423-S425 VanDerWaalsContact C-N 3.35Å; C423-S425 PolarHBondContact O-N 3.03Å; S425-A427 VanDerWaalsContact C-N 3.32Å; S425-A427 PolarHBondContact O-N 3.46Å; S425-A428 PolarHBondContact O-N 2.94Å; S425-D429 PolarHBondContact O-N 3.44Å; S425-V463 WeakPolarHBondContact OG-CG2 3.45Å |
| 426 | S | 89.7 | Confident | 87 | Confident | 10 Ų | 10 | 24.7 Ų | 24.7 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.9 | -36.1 | -179.6 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | L422 C423 A430 | L422-S426 WeakPolarHBondContact O-CB 3.48Å; L422-S426 PolarHBondContact O-N 2.93Å; L422-S426 PolarHBondContact O-OG 2.92Å; C423-S426 PolarHBondContact O-N 3.03Å; S426-A430 PolarHBondContact O-N 3.39Å; S426-A430 VanDerWaalsContact O-N 3.1Å |
| 427 | A | 90 | Very high | 85.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.6 | -43.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I412 M415 A416 C423 Q424 S425 A430 I431 | I412-A427 HydrophobicContact CG2-CB 4.24Å; M415-A427 HydrophobicContact CB-CB 3.88Å; A416-A427 HydrophobicContact CB-CB 4.37Å; C423-A427 WeakPolarHBondContact O-CB 3.41Å; C423-A427 PolarHBondContact O-N 3.33Å; Q424-A427 PolarHBondContact O-N 3.11Å; S425-A427 VanDerWaalsContact C-N 3.32Å; S425-A427 PolarHBondContact O-N 3.46Å; A427-A430 PolarHBondContact O-N 2.94Å; A427-I431 VanDerWaalsContact O-CG1 3.31Å; A427-I431 WeakPolarHBondContact O-CG1 3.45Å; A427-I431 PolarHBondContact O-N 3.27Å; A427-I431 VanDerWaalsContact O-N 3.13Å |
| 428 | A | 90.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q424 S425 A430 I431 V432 L455 R466 | Q424-A428 PolarHBondContact O-N 3.23Å; S425-A428 PolarHBondContact O-N 2.94Å; A428-A430 VanDerWaalsContact C-N 3.33Å; A428-A430 PolarHBondContact O-N 3.05Å; A428-I431 PolarHBondContact O-N 3.32Å; A428-I431 VanDerWaalsContact O-N 3.13Å; A428-V432 WeakPolarHBondContact O-CG2 3.44Å; A428-V432 PolarHBondContact O-N 3.47Å; A428-L455 HydrophobicContact CB-CD1 3.97Å; A428-R466 HydrophobicContact CB-CB 3.76Å |
| 429 | D | 88.5 | Confident | 83 | Confident | 44 Ų | 44 | 38 Ų | 38 | 24% | 0.235 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 179.8 | -73.3 | -20.1 | 0 | 0 | 0 | 111.6 | S425 I431 V432 H433 R466 | S425-D429 PolarHBondContact O-N 3.44Å; D429-I431 PolarHBondContact O-N 3.27Å; D429-V432 PolarHBondContact O-N 2.82Å; D429-H433 PolarHBondContact O-CD2 3.25Å; D429-H433 VanDerWaalsContact O-CD2 3.27Å; D429-H433 PolarHBondContact O-N 3.32Å; D429-H433 VanDerWaalsContact O-N 3.09Å; D429-R466 WeakPolarHBondContact OD1-CD 3.44Å; D429-R466 WeakPolarHBondContact OD1-CG 3.47Å; D429-R466 IonicContact OD1-NE 3.39Å; D429-R466 PolarHBondContact OD1-NE 3.21Å; D429-R466 VanDerWaalsContact OD1-NE 3.12Å; D429-R466 IonicContact OD2-CZ 2.71Å; D429-R466 IonicContact OD2-NE 3.23Å; D429-R466 PolarHBondContact OD2-NE 3.14Å; D429-R466 IonicContact OD2-NH2 3.29Å |
| 430 | A | 88 | Confident | 81.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T389 I412 S426 A427 A428 H433 T434 | T389-A430 WeakPolarHBondContact OG1-CA 3.38Å; I412-A430 HydrophobicContact CD1-CB 4.44Å; S426-A430 PolarHBondContact O-N 3.39Å; S426-A430 VanDerWaalsContact O-N 3.1Å; A427-A430 PolarHBondContact O-N 2.94Å; A428-A430 VanDerWaalsContact C-N 3.33Å; A428-A430 PolarHBondContact O-N 3.05Å; A430-H433 PolarHBondContact O-N 3.49Å; A430-T434 WeakPolarHBondContact O-CG2 3.28Å; A430-T434 PolarHBondContact O-N 3.44Å; A430-T434 VanDerWaalsContact O-N 3.11Å |
| 431 | I | 87 | Confident | 80.1 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 176.9 | -61.8 | 164.4 | 0 | 0 | 0 | 111.1 | I412 A427 A428 D429 H433 T434 V435 V451 L452 | I412-I431 HydrophobicContact CD1-CG1 4.36Å; I412-I431 HydrophobicContact CG2-CD1 3.68Å; I412-I431 HydrophobicContact CG2-CG1 3.8Å; A427-I431 VanDerWaalsContact O-CG1 3.31Å; A427-I431 WeakPolarHBondContact O-CG1 3.45Å; A427-I431 PolarHBondContact O-N 3.27Å; A427-I431 VanDerWaalsContact O-N 3.13Å; A428-I431 PolarHBondContact O-N 3.32Å; A428-I431 VanDerWaalsContact O-N 3.13Å; D429-I431 PolarHBondContact O-N 3.27Å; I431-H433 PolarHBondContact O-N 2.87Å; I431-T434 PolarHBondContact O-N 2.81Å; I431-T434 PolarHBondContact O-OG1 3.15Å; I431-V435 WeakPolarHBondContact O-CG2 3.41Å; I431-V435 PolarHBondContact O-N 3.48Å; I431-V451 HydrophobicContact CD1-CB 4.11Å; I431-V451 HydrophobicContact CD1-CG1 3.75Å; I431-L452 HydrophobicContact CB-CD2 4.33Å; I431-L452 HydrophobicContact CD1-CD2 4.38Å; I431-L452 HydrophobicContact CD1-CG 4.44Å; I431-L452 HydrophobicContact CG2-CD1 3.76Å; I431-L452 HydrophobicContact CG2-CD2 4.14Å; I431-L452 HydrophobicContact CG2-CG 3.95Å |
| 432 | V | 87 | Confident | 78.8 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.03 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.3 | -39.4 | 178.4 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | A428 D429 V469 G470 K473 | A428-V432 WeakPolarHBondContact O-CG2 3.44Å; A428-V432 PolarHBondContact O-N 3.47Å; D429-V432 PolarHBondContact O-N 2.82Å; V432-V469 HydrophobicContact CG1-CG1 3.92Å; V432-G470 VanDerWaalsContact CG2-CA 3.48Å; V432-K473 HydrophobicContact CG1-CD 3.96Å; V432-K473 WeakPolarHBondContact O-CD 3.19Å; V432-K473 PolarHBondContact O-NZ 2.7Å |
| 433 | H | 85.2 | Confident | 77.4 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 13% | 0.134 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -79 | -20.1 | -179.2 | -79.3 | -69.4 | 0 | 0 | 0 | 114.6 | T389 L392 R393 D429 A430 I431 V435 | T389-H433 VanDerWaalsContact CG2-CD2 3.47Å; T389-H433 WeakPolarHBondContact CG2-CD2 3.1Å; L392-H433 HydrophobicContact CB-CB 3.91Å; L392-H433 HydrophobicContact CD1-CB 3.94Å; R393-H433 PolarHBondContact NH1-CE1 2.63Å; R393-H433 PolarHBondContact NH1-NE2 3.34Å; D429-H433 PolarHBondContact O-CD2 3.25Å; D429-H433 VanDerWaalsContact O-CD2 3.27Å; D429-H433 PolarHBondContact O-N 3.32Å; D429-H433 VanDerWaalsContact O-N 3.09Å; A430-H433 PolarHBondContact O-N 3.49Å; I431-H433 PolarHBondContact O-N 2.87Å; H433-V435 VanDerWaalsContact C-N 3.31Å |
| 434 | T | 80.3 | Confident | 76 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.3 | -27.7 | 171.5 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | L392 A403 A430 I431 S436 F444 | L392-T434 HydrophobicContact CD1-CG2 3.64Å; L392-T434 HydrophobicContact CD2-CG2 4.29Å; A403-T434 HydrophobicContact CB-CG2 3.71Å; A430-T434 WeakPolarHBondContact O-CG2 3.28Å; A430-T434 PolarHBondContact O-N 3.44Å; A430-T434 VanDerWaalsContact O-N 3.11Å; I431-T434 PolarHBondContact O-N 2.81Å; I431-T434 PolarHBondContact O-OG1 3.15Å; T434-S436 PolarHBondContact O-N 3.08Å; T434-F444 HydrophobicContact CG2-CD1 4.39Å; T434-F444 HydrophobicContact CG2-CD2 4.44Å; T434-F444 HydrophobicContact CG2-CE1 4.06Å; T434-F444 HydrophobicContact CG2-CE2 4.1Å; T434-F444 HydrophobicContact CG2-CZ 3.9Å |
| 435 | V | 75.2 | Confident | 74.4 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | trans | -78 | 69.1 | 176.2 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | I431 H433 K473 | I431-V435 WeakPolarHBondContact O-CG2 3.41Å; I431-V435 PolarHBondContact O-N 3.48Å; H433-V435 VanDerWaalsContact C-N 3.31Å; V435-K473 HydrophobicContact CB-CD 4.18Å; V435-K473 HydrophobicContact CB-CG 4.39Å; V435-K473 HydrophobicContact CG1-CB 4.48Å; V435-K473 HydrophobicContact CG1-CD 4.33Å; V435-K473 HydrophobicContact CG1-CG 4Å; V435-K473 WeakPolarHBondContact O-CD 3.42Å; V435-K473 WeakPolarHBondContact O-CE 3.37Å; V435-K473 PolarHBondContact O-NZ 2.89Å | ||
| 436 | S | 70.3 | Confident | 73.1 | Confident | 50 Ų | 50 | 45.1 Ų | 45.1 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -105 | -44.2 | -177.3 | 59 | 0 | 0 | 0 | 0 | 113.2 | L396 T434 | L396-S436 WeakPolarHBondContact CD1-OG 3.33Å; T434-S436 PolarHBondContact O-N 3.08Å |
| 437 | R | 64.6 | Low | 72.2 | Confident | 141 Ų | 141 | 49.9 Ų | 49.9 | 53% | 0.532 | 26% | 0.258 | S | S | . | . | trans | -132.3 | 141.8 | 178.1 | -57.1 | -178.6 | 70.8 | 171.7 | 2.4 | 111.3 | L396 D439 R440 C441 | L396-R437 HydrophobicContact CD2-CG 4.45Å; R437-D439 VanDerWaalsContact C-N 3.32Å; R437-D439 WeakPolarHBondContact CB-OD1 3.42Å; R437-D439 IonicContact NE-OD1 2.61Å; R437-D439 PolarHBondContact O-N 3.07Å; R437-R440 PolarHBondContact O-N 3.44Å; R437-C441 PolarHBondContact O-N 2.87Å; R437-C441 PolarHBondContact O-SG 3.36Å | ||
| 438 | R | 60 | Low | 71.6 | Confident | 143 Ų | 143 | 50.2 Ų | 50.2 | 54% | 0.54 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -55.2 | -42.3 | -176.5 | -174.2 | -178 | 179.1 | -166.2 | 3.5 | 113.4 | R440 C441 | R438-R440 PolarHBondContact O-N 2.92Å; R438-R440 VanDerWaalsContact O-N 3.1Å; R438-C441 WeakPolarHBondContact O-CB 3.45Å; R438-C441 PolarHBondContact O-N 3.07Å |
| 439 | D | 57 | Low | 71.2 | Confident | 101 Ų | 101 | 51.7 Ų | 51.7 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -61.1 | -17.6 | 179.5 | 59.6 | -44.4 | 0 | 0 | 0 | 113.6 | R437 | R437-D439 VanDerWaalsContact C-N 3.32Å; R437-D439 WeakPolarHBondContact CB-OD1 3.42Å; R437-D439 IonicContact NE-OD1 2.61Å; R437-D439 PolarHBondContact O-N 3.07Å |
| 440 | R | 61.1 | Low | 70.9 | Confident | 52 Ų | 52 | 52.6 Ų | 52.6 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -108.8 | -4 | 179.2 | -63.6 | -160.2 | -174 | 175 | 5.8 | 113.7 | D397 F400 R437 R438 | D397-R440 IonicContact OD1-CZ 3.68Å; D397-R440 IonicContact OD1-NH1 2.76Å; D397-R440 PolarHBondContact OD1-NH1 2.85Å; D397-R440 IonicContact OD1-NH2 3.56Å; D397-R440 PolarHBondContact OD1-NH2 2.94Å; F400-R440 HydrophobicContact CD2-CB 4.24Å; F400-R440 HydrophobicContact CE1-CB 4.28Å; F400-R440 HydrophobicContact CE1-CG 4.32Å; F400-R440 HydrophobicContact CE2-CB 3.62Å; F400-R440 HydrophobicContact CE2-CG 4.38Å; F400-R440 HydrophobicContact CZ-CB 3.64Å; F400-R440 HydrophobicContact CZ-CG 4.17Å; F400-R440 WeakPolarHBondContact CZ-O 3.42Å; R437-R440 PolarHBondContact O-N 3.44Å; R438-R440 PolarHBondContact O-N 2.92Å; R438-R440 VanDerWaalsContact O-N 3.1Å |
| 441 | C | 55.9 | Low | 70.9 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.02 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76.2 | -28.5 | -174.3 | -75.8 | 0 | 0 | 0 | 0 | 112.8 | R437 R438 V443 F444 L445 | R437-C441 PolarHBondContact O-N 2.87Å; R437-C441 PolarHBondContact O-SG 3.36Å; R438-C441 WeakPolarHBondContact O-CB 3.45Å; R438-C441 PolarHBondContact O-N 3.07Å; C441-V443 PolarHBondContact O-N 3.24Å; C441-F444 CarbonylContact O-C 3.53Å; C441-F444 PolarHBondContact O-N 2.68Å; C441-F444 VanDerWaalsContact O-N 3.08Å; C441-L445 HydrophobicContact CB-CD1 3.52Å; C441-L445 HydrophobicContact CB-CG 3.76Å; C441-L445 WeakPolarHBondContact O-CB 3.47Å; C441-L445 VanDerWaalsContact O-CG 3.27Å; C441-L445 WeakPolarHBondContact O-CG 3.35Å; C441-L445 PolarHBondContact O-N 2.99Å |
| 442 | D | 61.9 | Low | 71 | Confident | 120 Ų | 120 | 53 Ų | 53 | 64% | 0.642 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -55.3 | -48.1 | -166.4 | -64.7 | -24.8 | 0 | 0 | 0 | 114.1 | F444 | D442-F444 PolarHBondContact O-N 2.74Å |
| 443 | V | 58.4 | Low | 71 | Confident | 104 Ų | 104 | 60.7 Ų | 60.7 | 63% | 0.63 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67.6 | -36.6 | -178.8 | -177 | 0 | 0 | 0 | 0 | 111.6 | C441 | C441-V443 PolarHBondContact O-N 3.24Å |
| 444 | F | 62.6 | Low | 71.2 | Confident | 15 Ų | 15 | 66.2 Ų | 66.2 | 7% | 0.066 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -87.4 | -27.6 | -177.1 | -97.5 | -79.4 | 0 | 0 | 0 | 113.8 | F400 A403 T409 I412 T434 C441 D442 G448 | F400-F444 HydrophobicContact CE2-CD2 4.26Å; A403-F444 HydrophobicContact CB-CE2 4.26Å; A403-F444 HydrophobicContact CB-CZ 4.1Å; A403-F444 VanDerWaalsContact O-CZ 3.27Å; A403-F444 WeakPolarHBondContact O-CZ 3.07Å; T409-F444 HydrophobicContact CG2-CZ 4.16Å; I412-F444 HydrophobicContact CD1-CE1 4.26Å; T434-F444 HydrophobicContact CG2-CD1 4.39Å; T434-F444 HydrophobicContact CG2-CD2 4.44Å; T434-F444 HydrophobicContact CG2-CE1 4.06Å; T434-F444 HydrophobicContact CG2-CE2 4.1Å; T434-F444 HydrophobicContact CG2-CZ 3.9Å; C441-F444 CarbonylContact O-C 3.53Å; C441-F444 PolarHBondContact O-N 2.68Å; C441-F444 VanDerWaalsContact O-N 3.08Å; D442-F444 PolarHBondContact O-N 2.74Å; F444-G448 WeakPolarHBondContact O-CA 3.24Å; F444-G448 PolarHBondContact O-N 3.03Å |
| 445 | L | 58.7 | Low | 71.8 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 23% | 0.23 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65 | -42.3 | 177.4 | -78.2 | 174.6 | 0 | 0 | 0 | 110.9 | C441 V449 C474 | C441-L445 HydrophobicContact CB-CD1 3.52Å; C441-L445 HydrophobicContact CB-CG 3.76Å; C441-L445 WeakPolarHBondContact O-CB 3.47Å; C441-L445 VanDerWaalsContact O-CG 3.27Å; C441-L445 WeakPolarHBondContact O-CG 3.35Å; C441-L445 PolarHBondContact O-N 2.99Å; L445-V449 HydrophobicContact CD2-CG2 4.06Å; L445-V449 VanDerWaalsContact O-CB 3.26Å; L445-V449 WeakPolarHBondContact O-CB 3.19Å; L445-V449 WeakPolarHBondContact O-CG2 3.08Å; L445-V449 PolarHBondContact O-N 3.18Å; L445-C474 HydrophobicContact CD2-CB 3.77Å; L445-C474 VanDerWaalsContact CD2-SG 3.52Å |
| 446 | A | 63.6 | Low | 72.5 | Confident | 73 Ų | 73 | 68 Ų | 68 | 60% | 0.603 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60 | -50.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 447 | N | 70.4 | Confident | 73.4 | Confident | 110 Ų | 110 | 71.8 Ų | 71.8 | 59% | 0.588 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -87.9 | -44 | -176.8 | -70 | -16.1 | 0 | 0 | 0 | 112.5 | V449 S450 V451 | N447-V449 PolarHBondContact O-N 2.67Å; N447-S450 PolarHBondContact O-N 3.49Å; N447-S450 PolarHBondContact O-OG 3.36Å; N447-V451 PolarHBondContact O-N 3.26Å |
| 448 | G | 77.6 | Confident | 74.6 | Confident | 6 Ų | 6 | 65.5 Ų | 65.5 | 6% | 0.062 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.3 | -38.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F444 S450 V451 L452 | F444-G448 WeakPolarHBondContact O-CA 3.24Å; F444-G448 PolarHBondContact O-N 3.03Å; G448-S450 VanDerWaalsContact C-N 3.28Å; G448-S450 PolarHBondContact O-N 3.34Å; G448-V451 PolarHBondContact O-N 3.05Å; G448-L452 WeakPolarHBondContact O-CB 3.26Å; G448-L452 VanDerWaalsContact O-CG 3.26Å; G448-L452 WeakPolarHBondContact O-CG 3.24Å; G448-L452 PolarHBondContact O-N 2.88Å |
| 449 | V | 81.2 | Confident | 75.9 | Confident | 31 Ų | 31 | 64 Ų | 64 | 19% | 0.188 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.7 | -38 | 177 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | L445 N447 V451 L452 R453 L471 C474 | L445-V449 HydrophobicContact CD2-CG2 4.06Å; L445-V449 VanDerWaalsContact O-CB 3.26Å; L445-V449 WeakPolarHBondContact O-CB 3.19Å; L445-V449 WeakPolarHBondContact O-CG2 3.08Å; L445-V449 PolarHBondContact O-N 3.18Å; N447-V449 PolarHBondContact O-N 2.67Å; V449-V451 VanDerWaalsContact C-N 3.34Å; V449-V451 PolarHBondContact O-N 2.9Å; V449-L452 PolarHBondContact O-N 2.92Å; V449-R453 HydrophobicContact CG1-CG 4.41Å; V449-R453 WeakPolarHBondContact O-CB 3.43Å; V449-R453 VanDerWaalsContact O-CG 3.31Å; V449-R453 WeakPolarHBondContact O-CG 3.41Å; V449-R453 PolarHBondContact O-N 3Å; V449-L471 HydrophobicContact CG1-CD2 4.18Å; V449-C474 HydrophobicContact CG2-CB 4.23Å |
| 450 | S | 83.2 | Confident | 77.5 | Confident | 63 Ų | 63 | 63.6 Ų | 63.6 | 44% | 0.441 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 177.1 | 79.9 | 0 | 0 | 0 | 0 | 112.1 | N447 G448 R454 | N447-S450 PolarHBondContact O-N 3.49Å; N447-S450 PolarHBondContact O-OG 3.36Å; G448-S450 VanDerWaalsContact C-N 3.28Å; G448-S450 PolarHBondContact O-N 3.34Å; S450-R454 PolarHBondContact O-N 2.92Å |
| 451 | V | 87.2 | Confident | 78.8 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 9% | 0.085 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68 | -46.9 | 176.1 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | A416 I431 N447 G448 V449 R453 R454 L455 | A416-V451 HydrophobicContact CB-CG1 3.44Å; A416-V451 VanDerWaalsContact CB-CG1 3.44Å; I431-V451 HydrophobicContact CD1-CB 4.11Å; I431-V451 HydrophobicContact CD1-CG1 3.75Å; N447-V451 PolarHBondContact O-N 3.26Å; G448-V451 PolarHBondContact O-N 3.05Å; V449-V451 VanDerWaalsContact C-N 3.34Å; V449-V451 PolarHBondContact O-N 2.9Å; V451-R453 PolarHBondContact O-N 3.28Å; V451-R454 WeakPolarHBondContact O-CB 3.35Å; V451-R454 PolarHBondContact O-N 3.22Å; V451-R454 VanDerWaalsContact O-N 3.11Å; V451-L455 HydrophobicContact CG1-CD1 4.03Å; V451-L455 HydrophobicContact CG1-CG 4.35Å; V451-L455 WeakPolarHBondContact O-CG 3.42Å; V451-L455 PolarHBondContact O-N 2.83Å |
| 452 | L | 89.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 177.5 | -69 | 169.3 | 0 | 0 | 0 | 111.6 | I431 G448 V449 R454 L455 F456 A467 L471 | I431-L452 HydrophobicContact CB-CD2 4.33Å; I431-L452 HydrophobicContact CD1-CD2 4.38Å; I431-L452 HydrophobicContact CD1-CG 4.44Å; I431-L452 HydrophobicContact CG2-CD1 3.76Å; I431-L452 HydrophobicContact CG2-CD2 4.14Å; I431-L452 HydrophobicContact CG2-CG 3.95Å; G448-L452 WeakPolarHBondContact O-CB 3.26Å; G448-L452 VanDerWaalsContact O-CG 3.26Å; G448-L452 WeakPolarHBondContact O-CG 3.24Å; G448-L452 PolarHBondContact O-N 2.88Å; V449-L452 PolarHBondContact O-N 2.92Å; L452-R454 VanDerWaalsContact C-N 3.28Å; L452-R454 PolarHBondContact O-N 3.11Å; L452-L455 PolarHBondContact O-N 3.36Å; L452-F456 WeakPolarHBondContact O-CB 3.36Å; L452-F456 PolarHBondContact O-N 3.35Å; L452-A467 HydrophobicContact CD2-CB 4.39Å; L452-A467 WeakPolarHBondContact O-CB 3.28Å; L452-L471 HydrophobicContact CB-CD2 3.86Å; L452-L471 HydrophobicContact CB-CG 4.05Å; L452-L471 HydrophobicContact CD1-CD2 4.49Å |
| 453 | R | 88.4 | Confident | 81.8 | Confident | 165 Ų | 165 | 61 Ų | 61 | 62% | 0.623 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.6 | -36.8 | 175.2 | -74.8 | -178.8 | -173.7 | -149.8 | 3.1 | 112.6 | V449 V451 N457 L471 | V449-R453 HydrophobicContact CG1-CG 4.41Å; V449-R453 WeakPolarHBondContact O-CB 3.43Å; V449-R453 VanDerWaalsContact O-CG 3.31Å; V449-R453 WeakPolarHBondContact O-CG 3.41Å; V449-R453 PolarHBondContact O-N 3Å; V451-R453 PolarHBondContact O-N 3.28Å; R453-N457 PolarHBondContact O-ND2 3.22Å; R453-L471 HydrophobicContact CG-CD2 3.98Å |
| 454 | R | 89.3 | Confident | 83.5 | Confident | 146 Ų | 146 | 59.2 Ų | 59.2 | 55% | 0.551 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67 | -48.4 | 174.7 | -172.2 | -174 | -57.3 | 179.1 | 2.6 | 111.2 | C417 S450 V451 L452 F456 N457 | C417-R454 PolarHBondContact SG-NH1 2.96Å; S450-R454 PolarHBondContact O-N 2.92Å; V451-R454 WeakPolarHBondContact O-CB 3.35Å; V451-R454 PolarHBondContact O-N 3.22Å; V451-R454 VanDerWaalsContact O-N 3.11Å; L452-R454 VanDerWaalsContact C-N 3.28Å; L452-R454 PolarHBondContact O-N 3.11Å; R454-F456 VanDerWaalsContact C-N 3.26Å; R454-F456 PolarHBondContact O-N 2.88Å; R454-N457 PolarHBondContact O-N 3.22Å |
| 455 | L | 91.7 | Very high | 84.9 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.8 | -31.3 | 179 | -69.5 | 179.4 | 0 | 0 | 0 | 112.5 | A416 Q424 A428 V451 L452 N457 S458 V463 A467 | A416-L455 HydrophobicContact CB-CD1 4.09Å; A416-L455 HydrophobicContact CB-CD2 4.06Å; A416-L455 HydrophobicContact CB-CG 4.26Å; A416-L455 WeakPolarHBondContact O-CD2 3.17Å; Q424-L455 HydrophobicContact CB-CD2 3.91Å; Q424-L455 HydrophobicContact CG-CD2 4Å; A428-L455 HydrophobicContact CB-CD1 3.97Å; V451-L455 HydrophobicContact CG1-CD1 4.03Å; V451-L455 HydrophobicContact CG1-CG 4.35Å; V451-L455 WeakPolarHBondContact O-CG 3.42Å; V451-L455 PolarHBondContact O-N 2.83Å; L452-L455 PolarHBondContact O-N 3.36Å; L455-N457 PolarHBondContact O-N 3.29Å; L455-S458 WeakPolarHBondContact O-CB 3.49Å; L455-S458 PolarHBondContact O-N 3.31Å; L455-V463 HydrophobicContact CB-CG1 4.02Å; L455-V463 HydrophobicContact CD2-CG1 4Å; L455-A467 HydrophobicContact CB-CB 3.76Å |
| 456 | F | 90.8 | Very high | 86.5 | Confident | 45 Ų | 45 | 57.7 Ų | 57.7 | 20% | 0.197 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -24.2 | 173.8 | -175.3 | -106.4 | 0 | 0 | 0 | 113.3 | L452 R454 K464 A467 L468 L471 M498 | L452-F456 WeakPolarHBondContact O-CB 3.36Å; L452-F456 PolarHBondContact O-N 3.35Å; R454-F456 VanDerWaalsContact C-N 3.26Å; R454-F456 PolarHBondContact O-N 2.88Å; F456-K464 WeakPolarHBondContact O-CG 3.42Å; F456-A467 HydrophobicContact CB-CB 4.11Å; F456-L468 HydrophobicContact CD2-CB 4Å; F456-L468 HydrophobicContact CE2-CB 3.88Å; F456-L468 HydrophobicContact CE2-CD1 3.88Å; F456-L468 HydrophobicContact CE2-CD2 4.3Å; F456-L468 HydrophobicContact CE2-CG 4.23Å; F456-L468 HydrophobicContact CZ-CD1 4.48Å; F456-L471 HydrophobicContact CB-CD1 4.26Å; F456-L471 HydrophobicContact CG-CD1 4.31Å; F456-M498 HydrophobicContact CZ-CE 3.75Å; F456-M498 HydrophobicContact CZ-CG 4.39Å |
| 457 | N | 89.4 | Confident | 87.9 | Confident | 128 Ų | 128 | 54.2 Ų | 54.2 | 68% | 0.684 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 2.6 | 174.2 | -64 | -38.7 | 0 | 0 | 0 | 113.3 | R453 R454 L455 | R453-N457 PolarHBondContact O-ND2 3.22Å; R454-N457 PolarHBondContact O-N 3.22Å; L455-N457 PolarHBondContact O-N 3.29Å |
| 458 | S | 89.6 | Confident | 89 | Confident | 10 Ų | 10 | 49 Ų | 49 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -58.9 | 144.9 | 175 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | Q424 L455 E460 K464 | Q424-S458 PolarHBondContact OE1-OG 3.36Å; L455-S458 WeakPolarHBondContact O-CB 3.49Å; L455-S458 PolarHBondContact O-N 3.31Å; S458-E460 PolarHBondContact O-N 3.3Å; S458-K464 WeakPolarHBondContact O-CD 3.12Å; S458-K464 WeakPolarHBondContact O-CE 3.45Å; S458-K464 WeakPolarHBondContact O-CG 3.44Å |
| 459 | P | 87.5 | Confident | 89.7 | Confident | 111 Ų | 111 | 49 Ų | 49 | 72% | 0.721 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -64.6 | -26.4 | 176.5 | 26 | -34.7 | 0 | 0 | 0 | 113.1 | ||
| 460 | E | 89.1 | Confident | 90 | Very high | 93 Ų | 93 | 47.5 Ų | 47.5 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | trans | -80.6 | 118.4 | -174 | -70.4 | -64.7 | 148.7 | 0 | 0 | 112.6 | P421 S458 S462 V463 K464 | P421-E460 HydrophobicContact CB-CB 4.43Å; P421-E460 HydrophobicContact CB-CG 3.94Å; P421-E460 HydrophobicContact CG-CG 3.77Å; S458-E460 PolarHBondContact O-N 3.3Å; E460-S462 PolarHBondContact O-N 2.72Å; E460-V463 HydrophobicContact CB-CB 4.29Å; E460-V463 HydrophobicContact CB-CG2 4Å; E460-V463 PolarHBondContact O-N 3.42Å; E460-K464 WeakPolarHBondContact O-CG 3.17Å; E460-K464 PolarHBondContact O-N 3.16Å | ||
| 461 | E | 89.1 | Confident | 90.3 | Very high | 93 Ų | 93 | 45.4 Ų | 45.4 | 44% | 0.435 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.5 | -37.4 | -177.8 | -63.4 | -169.5 | 155.3 | 0 | 0 | 112.8 | V463 K464 V465 F502 I511 | E461-V463 VanDerWaalsContact C-N 3.26Å; E461-V463 PolarHBondContact O-N 2.82Å; E461-K464 PolarHBondContact O-N 3.15Å; E461-V465 VanDerWaalsContact O-CG2 3.28Å; E461-V465 WeakPolarHBondContact O-CG2 3.47Å; E461-V465 PolarHBondContact O-N 3.18Å; E461-F502 HydrophobicContact CB-CE1 4.45Å; E461-F502 HydrophobicContact CG-CE1 4.48Å; E461-I511 HydrophobicContact CB-CD1 3.75Å |
| 462 | S | 89.1 | Confident | 90.4 | Very high | 27 Ų | 27 | 44.8 Ų | 44.8 | 19% | 0.189 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -32.4 | 179.7 | 67.3 | 0 | 0 | 0 | 0 | 113.5 | E460 R466 | E460-S462 PolarHBondContact O-N 2.72Å; S462-R466 WeakPolarHBondContact O-CG 3.37Å; S462-R466 PolarHBondContact O-NH1 3.39Å |
| 463 | V | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -79.1 | -45.6 | 174.9 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | P421 Q424 S425 L455 E460 E461 V465 R466 A467 | P421-V463 HydrophobicContact CB-CG2 4.22Å; P421-V463 WeakPolarHBondContact O-CG2 3.39Å; Q424-V463 HydrophobicContact CB-CG1 3.83Å; Q424-V463 HydrophobicContact CB-CG2 3.82Å; S425-V463 WeakPolarHBondContact OG-CG2 3.45Å; L455-V463 HydrophobicContact CB-CG1 4.02Å; L455-V463 HydrophobicContact CD2-CG1 4Å; E460-V463 HydrophobicContact CB-CB 4.29Å; E460-V463 HydrophobicContact CB-CG2 4Å; E460-V463 PolarHBondContact O-N 3.42Å; E461-V463 VanDerWaalsContact C-N 3.26Å; E461-V463 PolarHBondContact O-N 2.82Å; V463-V465 VanDerWaalsContact C-N 3.32Å; V463-V465 PolarHBondContact O-N 3.14Å; V463-R466 PolarHBondContact O-N 3.33Å; V463-A467 WeakPolarHBondContact O-CB 3.49Å; V463-A467 PolarHBondContact O-N 2.99Å |
| 464 | K | 93.5 | Very high | 89.8 | Confident | 67 Ų | 67 | 38.8 Ų | 38.8 | 29% | 0.291 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -53.7 | -48.1 | 178.2 | -66.8 | -172.9 | -173.8 | 172.9 | 0 | 111.8 | F456 S458 E460 E461 A467 L468 F502 | F456-K464 WeakPolarHBondContact O-CG 3.42Å; S458-K464 WeakPolarHBondContact O-CD 3.12Å; S458-K464 WeakPolarHBondContact O-CE 3.45Å; S458-K464 WeakPolarHBondContact O-CG 3.44Å; E460-K464 WeakPolarHBondContact O-CG 3.17Å; E460-K464 PolarHBondContact O-N 3.16Å; E461-K464 PolarHBondContact O-N 3.15Å; K464-A467 PolarHBondContact O-N 2.8Å; K464-L468 WeakPolarHBondContact O-CB 3.28Å; K464-L468 PolarHBondContact O-N 3.48Å; K464-F502 HydrophobicContact CB-CZ 4.46Å |
| 465 | V | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.7 | -38.7 | -174.4 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | E461 V463 A467 L468 V469 F502 I511 L514 A515 | E461-V465 VanDerWaalsContact O-CG2 3.28Å; E461-V465 WeakPolarHBondContact O-CG2 3.47Å; E461-V465 PolarHBondContact O-N 3.18Å; V463-V465 VanDerWaalsContact C-N 3.32Å; V463-V465 PolarHBondContact O-N 3.14Å; V465-A467 VanDerWaalsContact C-N 3.32Å; V465-A467 PolarHBondContact O-N 3.26Å; V465-L468 WeakPolarHBondContact O-CB 3.36Å; V465-L468 PolarHBondContact O-N 3.45Å; V465-V469 WeakPolarHBondContact O-CG2 3.1Å; V465-V469 PolarHBondContact O-N 3.43Å; V465-F502 HydrophobicContact CG2-CB 4.4Å; V465-F502 HydrophobicContact CG2-CD1 3.51Å; V465-F502 HydrophobicContact CG2-CD2 3.74Å; V465-F502 HydrophobicContact CG2-CE1 3.55Å; V465-F502 HydrophobicContact CG2-CE2 3.78Å; V465-F502 HydrophobicContact CG2-CG 3.61Å; V465-F502 HydrophobicContact CG2-CZ 3.68Å; V465-I511 HydrophobicContact CB-CG2 4.21Å; V465-I511 HydrophobicContact CG1-CG2 4.28Å; V465-I511 HydrophobicContact CG2-CG2 3.51Å; V465-L514 HydrophobicContact CG1-CB 3.6Å; V465-A515 HydrophobicContact CG1-CB 4.34Å |
| 466 | R | 92.6 | Very high | 88.8 | Confident | 27 Ų | 27 | 32.6 Ų | 32.6 | 10% | 0.102 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 172.2 | -73.8 | 175 | 168.8 | 69.3 | 10.6 | 112.1 | A428 D429 S462 V463 L468 V469 G470 L514 | A428-R466 HydrophobicContact CB-CB 3.76Å; D429-R466 WeakPolarHBondContact OD1-CD 3.44Å; D429-R466 WeakPolarHBondContact OD1-CG 3.47Å; D429-R466 IonicContact OD1-NE 3.39Å; D429-R466 PolarHBondContact OD1-NE 3.21Å; D429-R466 VanDerWaalsContact OD1-NE 3.12Å; D429-R466 IonicContact OD2-CZ 2.71Å; D429-R466 IonicContact OD2-NE 3.23Å; D429-R466 PolarHBondContact OD2-NE 3.14Å; D429-R466 IonicContact OD2-NH2 3.29Å; S462-R466 WeakPolarHBondContact O-CG 3.37Å; S462-R466 PolarHBondContact O-NH1 3.39Å; V463-R466 PolarHBondContact O-N 3.33Å; R466-L468 VanDerWaalsContact C-N 3.31Å; R466-L468 PolarHBondContact O-N 3.3Å; R466-V469 PolarHBondContact O-N 3.19Å; R466-G470 PolarHBondContact O-N 3Å; R466-L514 HydrophobicContact CG-CD1 3.98Å |
| 467 | A | 92.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L452 L455 F456 V463 K464 V465 G470 L471 | L452-A467 HydrophobicContact CD2-CB 4.39Å; L452-A467 WeakPolarHBondContact O-CB 3.28Å; L455-A467 HydrophobicContact CB-CB 3.76Å; F456-A467 HydrophobicContact CB-CB 4.11Å; V463-A467 WeakPolarHBondContact O-CB 3.49Å; V463-A467 PolarHBondContact O-N 2.99Å; K464-A467 PolarHBondContact O-N 2.8Å; V465-A467 VanDerWaalsContact C-N 3.32Å; V465-A467 PolarHBondContact O-N 3.26Å; A467-G470 PolarHBondContact O-N 3.24Å; A467-L471 WeakPolarHBondContact O-CG 3.36Å; A467-L471 PolarHBondContact O-N 3.19Å |
| 468 | L | 93.7 | Very high | 86.6 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 174.5 | -178.7 | 59.1 | 0 | 0 | 0 | 111.9 | F456 K464 V465 R466 G470 L471 C472 L495 M498 F502 | F456-L468 HydrophobicContact CD2-CB 4Å; F456-L468 HydrophobicContact CE2-CB 3.88Å; F456-L468 HydrophobicContact CE2-CD1 3.88Å; F456-L468 HydrophobicContact CE2-CD2 4.3Å; F456-L468 HydrophobicContact CE2-CG 4.23Å; F456-L468 HydrophobicContact CZ-CD1 4.48Å; K464-L468 WeakPolarHBondContact O-CB 3.28Å; K464-L468 PolarHBondContact O-N 3.48Å; V465-L468 WeakPolarHBondContact O-CB 3.36Å; V465-L468 PolarHBondContact O-N 3.45Å; R466-L468 VanDerWaalsContact C-N 3.31Å; R466-L468 PolarHBondContact O-N 3.3Å; L468-G470 VanDerWaalsContact C-N 3.29Å; L468-G470 PolarHBondContact O-N 2.73Å; L468-L471 WeakPolarHBondContact O-CB 3.3Å; L468-L471 PolarHBondContact O-N 2.97Å; L468-L471 VanDerWaalsContact O-N 3.1Å; L468-C472 PolarHBondContact O-N 3.29Å; L468-C472 PolarHBondContact O-SG 3.24Å; L468-L495 HydrophobicContact CD1-CD2 3.83Å; L468-M498 HydrophobicContact CD1-CB 4.16Å; L468-M498 HydrophobicContact CD2-CB 3.99Å; L468-F502 HydrophobicContact CD2-CD2 4.09Å; L468-F502 HydrophobicContact CD2-CE2 4.12Å |
| 469 | V | 91.6 | Very high | 85.7 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.7 | -45.3 | 175.3 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | V432 V465 R466 L471 C472 K473 L514 E517 Y521 | V432-V469 HydrophobicContact CG1-CG1 3.92Å; V465-V469 WeakPolarHBondContact O-CG2 3.1Å; V465-V469 PolarHBondContact O-N 3.43Å; R466-V469 PolarHBondContact O-N 3.19Å; V469-L471 VanDerWaalsContact C-N 3.35Å; V469-L471 PolarHBondContact O-N 3.43Å; V469-C472 WeakPolarHBondContact O-CB 3.46Å; V469-C472 PolarHBondContact O-N 3.48Å; V469-K473 WeakPolarHBondContact O-CB 3.46Å; V469-K473 PolarHBondContact O-N 2.71Å; V469-L514 HydrophobicContact CG2-CB 4.3Å; V469-L514 WeakPolarHBondContact CG2-O 3.46Å; V469-E517 HydrophobicContact CG1-CG 4.39Å; V469-Y521 HydrophobicContact CG1-CD2 4.33Å; V469-Y521 HydrophobicContact CG1-CE2 3.96Å |
| 470 | G | 88.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V432 R466 A467 L468 K473 C474 | V432-G470 VanDerWaalsContact CG2-CA 3.48Å; R466-G470 PolarHBondContact O-N 3Å; A467-G470 PolarHBondContact O-N 3.24Å; L468-G470 VanDerWaalsContact C-N 3.29Å; L468-G470 PolarHBondContact O-N 2.73Å; G470-K473 PolarHBondContact O-N 3.25Å; G470-C474 PolarHBondContact O-N 3.14Å; G470-C474 PolarHBondContact O-SG 3.45Å |
| 471 | L | 88.8 | Confident | 83.4 | Confident | 20 Ų | 20 | 23.6 Ų | 23.6 | 11% | 0.105 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64 | -41.6 | 176.5 | -67.3 | 171.7 | 0 | 0 | 0 | 112.2 | V449 L452 R453 F456 A467 L468 V469 C474 A475 L495 | V449-L471 HydrophobicContact CG1-CD2 4.18Å; L452-L471 HydrophobicContact CB-CD2 3.86Å; L452-L471 HydrophobicContact CB-CG 4.05Å; L452-L471 HydrophobicContact CD1-CD2 4.49Å; R453-L471 HydrophobicContact CG-CD2 3.98Å; F456-L471 HydrophobicContact CB-CD1 4.26Å; F456-L471 HydrophobicContact CG-CD1 4.31Å; A467-L471 WeakPolarHBondContact O-CG 3.36Å; A467-L471 PolarHBondContact O-N 3.19Å; L468-L471 WeakPolarHBondContact O-CB 3.3Å; L468-L471 PolarHBondContact O-N 2.97Å; L468-L471 VanDerWaalsContact O-N 3.1Å; V469-L471 VanDerWaalsContact C-N 3.35Å; V469-L471 PolarHBondContact O-N 3.43Å; L471-C474 PolarHBondContact O-N 2.99Å; L471-A475 VanDerWaalsContact O-CB 3.28Å; L471-A475 WeakPolarHBondContact O-CB 3.08Å; L471-A475 PolarHBondContact O-N 3.09Å; L471-L495 HydrophobicContact CB-CD2 4.35Å |
| 472 | C | 89.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 174.6 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | L468 V469 A475 S476 C499 G518 L522 | L468-C472 PolarHBondContact O-N 3.29Å; L468-C472 PolarHBondContact O-SG 3.24Å; V469-C472 WeakPolarHBondContact O-CB 3.46Å; V469-C472 PolarHBondContact O-N 3.48Å; C472-A475 PolarHBondContact O-N 2.9Å; C472-S476 PolarHBondContact O-N 3.39Å; C472-S476 PolarHBondContact O-OG 3.16Å; C472-C499 VanDerWaalsContact SG-SG 3.63Å; C472-G518 WeakPolarHBondContact CB-O 3.4Å; C472-L522 HydrophobicContact CB-CD1 4.34Å; C472-L522 HydrophobicContact CB-CD2 4.04Å; C472-L522 HydrophobicContact CB-CG 3.92Å |
| 473 | K | 85.8 | Confident | 81 | Confident | 26 Ų | 26 | 23.5 Ų | 23.5 | 11% | 0.113 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.1 | -42 | 179.5 | -161.7 | 176 | -169.1 | -164.8 | 0 | 112.3 | V432 V435 V469 G470 S476 Y521 | V432-K473 HydrophobicContact CG1-CD 3.96Å; V432-K473 WeakPolarHBondContact O-CD 3.19Å; V432-K473 PolarHBondContact O-NZ 2.7Å; V435-K473 HydrophobicContact CB-CD 4.18Å; V435-K473 HydrophobicContact CB-CG 4.39Å; V435-K473 HydrophobicContact CG1-CB 4.48Å; V435-K473 HydrophobicContact CG1-CD 4.33Å; V435-K473 HydrophobicContact CG1-CG 4Å; V435-K473 WeakPolarHBondContact O-CD 3.42Å; V435-K473 WeakPolarHBondContact O-CE 3.37Å; V435-K473 PolarHBondContact O-NZ 2.89Å; V469-K473 WeakPolarHBondContact O-CB 3.46Å; V469-K473 PolarHBondContact O-N 2.71Å; G470-K473 PolarHBondContact O-N 3.25Å; K473-S476 PolarHBondContact O-N 3.31Å; K473-Y521 HydrophobicContact CB-CD2 3.98Å; K473-Y521 HydrophobicContact CB-CE2 4.24Å; K473-Y521 HydrophobicContact CB-CG 4.15Å; K473-Y521 HydrophobicContact CD-CD1 4.48Å; K473-Y521 HydrophobicContact CD-CD2 4.48Å; K473-Y521 HydrophobicContact CD-CE1 3.98Å; K473-Y521 HydrophobicContact CD-CE2 3.98Å; K473-Y521 HydrophobicContact CG-CD1 3.95Å; K473-Y521 HydrophobicContact CG-CD2 4.15Å; K473-Y521 HydrophobicContact CG-CE1 3.94Å; K473-Y521 HydrophobicContact CG-CE2 4.15Å; K473-Y521 HydrophobicContact CG-CG 4.07Å |
| 474 | C | 80.4 | Confident | 79.6 | Confident | 14 Ų | 14 | 25.8 Ų | 25.8 | 10% | 0.095 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | 172 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | L445 V449 G470 L471 S476 S477 | L445-C474 HydrophobicContact CD2-CB 3.77Å; L445-C474 VanDerWaalsContact CD2-SG 3.52Å; V449-C474 HydrophobicContact CG2-CB 4.23Å; G470-C474 PolarHBondContact O-N 3.14Å; G470-C474 PolarHBondContact O-SG 3.45Å; L471-C474 PolarHBondContact O-N 2.99Å; C474-S476 PolarHBondContact O-N 3.14Å; C474-S477 WeakPolarHBondContact O-CB 3.26Å; C474-S477 PolarHBondContact O-N 3.15Å; C474-S477 PolarHBondContact O-OG 3.36Å |
| 475 | A | 79 | Confident | 78.2 | Confident | 8 Ų | 8 | 26.1 Ų | 26.1 | 7% | 0.066 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.5 | -26 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L471 C472 P486 T487 L495 L522 | L471-A475 VanDerWaalsContact O-CB 3.28Å; L471-A475 WeakPolarHBondContact O-CB 3.08Å; L471-A475 PolarHBondContact O-N 3.09Å; C472-A475 PolarHBondContact O-N 2.9Å; A475-P486 WeakPolarHBondContact O-CG 3.5Å; A475-T487 WeakPolarHBondContact CA-OG1 3.3Å; A475-T487 PolarHBondContact O-OG1 2.82Å; A475-L495 HydrophobicContact CB-CD1 3.71Å; A475-L522 HydrophobicContact CB-CD2 4.4Å |
| 476 | S | 79.2 | Confident | 76.6 | Confident | 11 Ų | 11 | 29.4 Ų | 29.4 | 8% | 0.077 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 14.4 | 178.5 | -61.3 | 0 | 0 | 0 | 0 | 114.3 | C472 K473 C474 G478 G479 Y521 L522 | C472-S476 PolarHBondContact O-N 3.39Å; C472-S476 PolarHBondContact O-OG 3.16Å; K473-S476 PolarHBondContact O-N 3.31Å; C474-S476 PolarHBondContact O-N 3.14Å; S476-G478 PolarHBondContact O-N 3.33Å; S476-G478 VanDerWaalsContact O-N 3.11Å; S476-G479 PolarHBondContact O-N 3.13Å; S476-Y521 WeakPolarHBondContact CB-O 3.25Å; S476-Y521 PolarHBondContact OG-O 3.29Å; S476-L522 WeakPolarHBondContact OG-CA 3.42Å |
| 477 | S | 71.6 | Confident | 75.3 | Confident | 32 Ų | 32 | 29.7 Ų | 29.7 | 22% | 0.224 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -17 | -177.1 | 68.7 | 0 | 0 | 0 | 0 | 114.5 | C474 G479 | C474-S477 WeakPolarHBondContact O-CB 3.26Å; C474-S477 PolarHBondContact O-N 3.15Å; C474-S477 PolarHBondContact O-OG 3.36Å; S477-G479 VanDerWaalsContact C-N 3.26Å |
| 478 | G | 64 | Low | 74.3 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -10 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114 | S476 R480 D481 L484 | S476-G478 PolarHBondContact O-N 3.33Å; S476-G478 VanDerWaalsContact O-N 3.11Å; G478-R480 PolarHBondContact O-N 3.31Å; G478-D481 PolarHBondContact O-N 3.43Å; G478-L484 WeakPolarHBondContact CA-O 3.3Å |
| 479 | G | 70.1 | Confident | 73.1 | Confident | 31 Ų | 31 | 39.4 Ų | 39.4 | 32% | 0.32 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | -126.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S476 S477 | S476-G479 PolarHBondContact O-N 3.13Å; S477-G479 VanDerWaalsContact C-N 3.26Å |
| 480 | R | 64.4 | Low | 72.3 | Confident | 103 Ų | 103 | 47 Ų | 47 | 39% | 0.389 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -5.9 | -175.6 | -57 | 177.8 | -168.3 | 149.6 | 0.5 | 113.4 | G478 I482 Y568 | G478-R480 PolarHBondContact O-N 3.31Å; R480-I482 PolarHBondContact O-N 3.32Å; R480-Y568 VanDerWaalsContact NH2-CD2 3.34Å |
| 481 | D | 64.7 | Low | 71.9 | Confident | 18 Ų | 18 | 52.3 Ų | 52.3 | 10% | 0.096 | 27% | 0.272 | C | S | . | . | trans | -82.3 | 106.5 | -173.2 | -172.1 | -8.7 | 0 | 0 | 0 | 110 | G478 S483 L484 H587 P589 E590 | G478-D481 PolarHBondContact O-N 3.43Å; D481-S483 VanDerWaalsContact CG-OG 3.27Å; D481-S483 PolarHBondContact O-N 2.97Å; D481-S483 WeakPolarHBondContact OD1-CB 3.44Å; D481-S483 PolarHBondContact OD1-N 3.33Å; D481-S483 VanDerWaalsContact OD1-N 3.15Å; D481-S483 PolarHBondContact OD1-OG 3.19Å; D481-S483 PolarHBondContact OD2-OG 3.31Å; D481-L484 HydrophobicContact CB-CB 4.17Å; D481-L484 HydrophobicContact CB-CD1 4.49Å; D481-L484 PolarHBondContact O-N 3.33Å; D481-L484 WeakPolarHBondContact OD2-CD1 3.36Å; D481-H587 IonicContact OD1-NE2 3.52Å; D481-H587 IonicContact OD2-CD2 2.84Å; D481-H587 PolarHBondContact OD2-CD2 3Å; D481-H587 VanDerWaalsContact OD2-CD2 3.26Å; D481-H587 IonicContact OD2-CE1 3.05Å; D481-H587 IonicContact OD2-NE2 2.79Å; D481-H587 PolarHBondContact OD2-NE2 2.9Å; D481-P589 HydrophobicContact CB-CB 4.28Å; D481-P589 VanDerWaalsContact OD2-CA 3.3Å; D481-P589 WeakPolarHBondContact OD2-CA 3.49Å; D481-E590 PolarHBondContact OD1-N 3.2Å | ||
| 482 | I | 62.6 | Low | 71.4 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 32% | 0.318 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -57.6 | -33.8 | -177.8 | -167.6 | 179.1 | 0 | 0 | 0 | 111.8 | R480 L484 E590 H592 | R480-I482 PolarHBondContact O-N 3.32Å; I482-L484 VanDerWaalsContact C-N 3.25Å; I482-L484 PolarHBondContact O-N 2.94Å; I482-E590 HydrophobicContact CG2-CB 3.61Å; I482-H592 WeakPolarHBondContact CD1-CD2 3.37Å |
| 483 | S | 64.5 | Low | 71.1 | Confident | 56 Ų | 56 | 53 Ų | 53 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -73.9 | -17.4 | -178.3 | 69.8 | 0 | 0 | 0 | 0 | 113.1 | D481 H587 | D481-S483 VanDerWaalsContact CG-OG 3.27Å; D481-S483 PolarHBondContact O-N 2.97Å; D481-S483 WeakPolarHBondContact OD1-CB 3.44Å; D481-S483 PolarHBondContact OD1-N 3.33Å; D481-S483 VanDerWaalsContact OD1-N 3.15Å; D481-S483 PolarHBondContact OD1-OG 3.19Å; D481-S483 PolarHBondContact OD2-OG 3.31Å; S483-H587 PolarHBondContact OG-CE1 3.43Å; S483-H587 PolarHBondContact OG-NE2 3.35Å |
| 484 | L | 63.1 | Low | 71.1 | Confident | 48 Ų | 48 | 54.5 Ų | 54.5 | 25% | 0.251 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -111.3 | 30 | -179.4 | -74.2 | 176.6 | 0 | 0 | 0 | 112.7 | G478 D481 I482 P486 H587 | G478-L484 WeakPolarHBondContact CA-O 3.3Å; D481-L484 HydrophobicContact CB-CB 4.17Å; D481-L484 HydrophobicContact CB-CD1 4.49Å; D481-L484 PolarHBondContact O-N 3.33Å; D481-L484 WeakPolarHBondContact OD2-CD1 3.36Å; I482-L484 VanDerWaalsContact C-N 3.25Å; I482-L484 PolarHBondContact O-N 2.94Å; L484-P486 WeakPolarHBondContact O-CD 3.39Å; L484-P486 VanDerWaalsContact O-N 3.13Å; L484-H587 VanDerWaalsContact CD1-CD2 3.44Å; L484-H587 WeakPolarHBondContact CD1-CD2 3.38Å; L484-H587 WeakPolarHBondContact CD1-NE2 3.46Å |
| 485 | R | 62.9 | Low | 71.6 | Confident | 74 Ų | 74 | 55.4 Ų | 55.4 | 28% | 0.279 | 30% | 0.299 | S | S | . | . | trans | -62.3 | 111.7 | 178.6 | -144.8 | -174.2 | -167.6 | 157.6 | 6.9 | 110.5 | T487 E489 M492 D525 D527 | R485-T487 VanDerWaalsContact C-N 3.3Å; R485-T487 VanDerWaalsContact CD-O 3.3Å; R485-T487 WeakPolarHBondContact CD-O 3.46Å; R485-T487 VanDerWaalsContact CG-O 3.27Å; R485-T487 WeakPolarHBondContact CG-O 3.08Å; R485-E489 IonicContact NH1-OE2 3.14Å; R485-M492 HydrophobicContact CG-SD 4.5Å; R485-D525 IonicContact CZ-OD2 2.77Å; R485-D525 VanDerWaalsContact CZ-OD2 3.25Å; R485-D525 IonicContact NE-OD2 3.5Å; R485-D525 PolarHBondContact NE-OD2 3.44Å; R485-D525 IonicContact NH2-OD1 3.97Å; R485-D525 PolarHBondContact NH2-OD1 3.35Å; R485-D525 VanDerWaalsContact NH2-OD1 3.08Å; R485-D525 IonicContact NH2-OD2 3.61Å; R485-D525 PolarHBondContact NH2-OD2 3.41Å; R485-D527 IonicContact CZ-OD2 3.83Å; R485-D527 VanDerWaalsContact CZ-OD2 3.31Å; R485-D527 IonicContact NH1-OD2 3.24Å; R485-D527 PolarHBondContact NH1-OD2 3.46Å; R485-D527 IonicContact NH2-OD2 3.07Å; R485-D527 PolarHBondContact NH2-OD2 3.38Å | ||
| 486 | P | 60.5 | Low | 72.1 | Confident | 69 Ų | 69 | 55 Ų | 55 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -78.1 | -20.8 | -178.1 | 33.3 | -36.1 | 0 | 0 | 0 | 111.8 | A475 L484 | A475-P486 WeakPolarHBondContact O-CG 3.5Å; L484-P486 WeakPolarHBondContact O-CD 3.39Å; L484-P486 VanDerWaalsContact O-N 3.13Å |
| 487 | T | 65 | Low | 72.7 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -130.6 | 139 | -176.9 | -36 | 0 | 0 | 0 | 0 | 109.4 | A475 R485 K491 M492 | A475-T487 WeakPolarHBondContact CA-OG1 3.3Å; A475-T487 PolarHBondContact O-OG1 2.82Å; R485-T487 VanDerWaalsContact C-N 3.3Å; R485-T487 VanDerWaalsContact CD-O 3.3Å; R485-T487 WeakPolarHBondContact CD-O 3.46Å; R485-T487 VanDerWaalsContact CG-O 3.27Å; R485-T487 WeakPolarHBondContact CG-O 3.08Å; T487-K491 HydrophobicContact CG2-CB 3.56Å; T487-K491 HydrophobicContact CG2-CD 3.94Å; T487-K491 HydrophobicContact CG2-CG 4.41Å; T487-M492 HydrophobicContact CG2-CG 4.5Å |
| 488 | E | 70.3 | Confident | 73.6 | Confident | 118 Ų | 118 | 61 Ų | 61 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | trans | -60.9 | 149.1 | 174 | -67.1 | 161 | 169.6 | 0 | 0 | 111.7 | E490 K491 M492 | E488-E490 VanDerWaalsContact C-N 3.29Å; E488-E490 PolarHBondContact O-N 2.94Å; E488-K491 PolarHBondContact O-N 3.36Å; E488-K491 VanDerWaalsContact O-N 3.08Å; E488-K491 IonicContact OE2-NZ 2.66Å; E488-K491 PolarHBondContact OE2-NZ 3.06Å; E488-M492 PolarHBondContact O-N 2.87Å | ||
| 489 | E | 68.7 | Low | 75 | Confident | 88 Ų | 88 | 60.3 Ų | 60.3 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -48.7 | -48.2 | -179.7 | -168.9 | 179.3 | 161.5 | 0 | 0 | 112.6 | R485 K491 M492 C493 D527 | R485-E489 IonicContact NH1-OE2 3.14Å; E489-K491 VanDerWaalsContact C-N 3.25Å; E489-K491 PolarHBondContact O-N 3.17Å; E489-M492 PolarHBondContact O-N 3.08Å; E489-M492 VanDerWaalsContact O-N 3.08Å; E489-C493 PolarHBondContact O-N 2.99Å; E489-D527 HydrophobicContact CG-CB 4.28Å |
| 490 | E | 74.7 | Confident | 76.1 | Confident | 162 Ų | 162 | 61.8 Ų | 61.8 | 76% | 0.757 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58 | -38.8 | -176.9 | -63.5 | -175.9 | 172.4 | 0 | 0 | 112.2 | E488 A494 | E488-E490 VanDerWaalsContact C-N 3.29Å; E488-E490 PolarHBondContact O-N 2.94Å; E490-A494 WeakPolarHBondContact O-CB 3.32Å; E490-A494 PolarHBondContact O-N 2.67Å |
| 491 | K | 79.9 | Confident | 77.4 | Confident | 112 Ų | 112 | 59.8 Ų | 59.8 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.9 | -36.9 | 179 | -72.5 | 169.7 | -179.5 | 141.4 | 0 | 111.5 | T487 E488 E489 A494 L495 | T487-K491 HydrophobicContact CG2-CB 3.56Å; T487-K491 HydrophobicContact CG2-CD 3.94Å; T487-K491 HydrophobicContact CG2-CG 4.41Å; E488-K491 PolarHBondContact O-N 3.36Å; E488-K491 VanDerWaalsContact O-N 3.08Å; E488-K491 IonicContact OE2-NZ 2.66Å; E488-K491 PolarHBondContact OE2-NZ 3.06Å; E489-K491 VanDerWaalsContact C-N 3.25Å; E489-K491 PolarHBondContact O-N 3.17Å; K491-A494 PolarHBondContact O-N 3.03Å; K491-L495 WeakPolarHBondContact O-CG 3.48Å; K491-L495 PolarHBondContact O-N 3.37Å |
| 492 | M | 79.2 | Confident | 78.7 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.02 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 174.4 | -66.3 | -172.1 | 65.9 | 0 | 0 | 111.1 | R485 T487 E488 E489 A494 L495 A496 L522 D525 V528 | R485-M492 HydrophobicContact CG-SD 4.5Å; T487-M492 HydrophobicContact CG2-CG 4.5Å; E488-M492 PolarHBondContact O-N 2.87Å; E489-M492 PolarHBondContact O-N 3.08Å; E489-M492 VanDerWaalsContact O-N 3.08Å; M492-A494 VanDerWaalsContact C-N 3.31Å; M492-A494 PolarHBondContact O-N 3.48Å; M492-L495 PolarHBondContact O-N 3.12Å; M492-A496 PolarHBondContact O-N 3.42Å; M492-L522 HydrophobicContact CE-CD2 4.21Å; M492-D525 HydrophobicContact CE-CB 3.51Å; M492-D525 HydrophobicContact SD-CB 4.43Å; M492-V528 HydrophobicContact CB-CG2 4.44Å; M492-V528 HydrophobicContact CE-CG2 4.28Å |
| 493 | C | 81.3 | Confident | 80 | Confident | 32 Ų | 32 | 57.2 Ų | 57.2 | 22% | 0.216 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 174.9 | -73.3 | 0 | 0 | 0 | 0 | 112 | E489 A496 Q497 | E489-C493 PolarHBondContact O-N 2.99Å; C493-A496 PolarHBondContact O-N 2.99Å; C493-Q497 WeakPolarHBondContact O-CB 3.1Å; C493-Q497 PolarHBondContact O-N 3.11Å |
| 494 | A | 87.2 | Confident | 80.9 | Confident | 56 Ų | 56 | 56.6 Ų | 56.6 | 46% | 0.463 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | E490 K491 M492 Q497 M498 | E490-A494 WeakPolarHBondContact O-CB 3.32Å; E490-A494 PolarHBondContact O-N 2.67Å; K491-A494 PolarHBondContact O-N 3.03Å; M492-A494 VanDerWaalsContact C-N 3.31Å; M492-A494 PolarHBondContact O-N 3.48Å; A494-Q497 PolarHBondContact O-N 2.92Å; A494-M498 WeakPolarHBondContact O-CG 3.29Å; A494-M498 PolarHBondContact O-N 3.39Å |
| 495 | L | 89.8 | Confident | 81.5 | Confident | 33 Ų | 33 | 61.2 Ų | 61.2 | 17% | 0.173 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 174.9 | -68.3 | 173.9 | 0 | 0 | 0 | 111.8 | L468 L471 A475 K491 M492 Q497 M498 C499 L522 | L468-L495 HydrophobicContact CD1-CD2 3.83Å; L471-L495 HydrophobicContact CB-CD2 4.35Å; A475-L495 HydrophobicContact CB-CD1 3.71Å; K491-L495 WeakPolarHBondContact O-CG 3.48Å; K491-L495 PolarHBondContact O-N 3.37Å; M492-L495 PolarHBondContact O-N 3.12Å; L495-Q497 VanDerWaalsContact C-N 3.34Å; L495-Q497 PolarHBondContact O-N 2.86Å; L495-M498 WeakPolarHBondContact O-CB 3.42Å; L495-M498 PolarHBondContact O-N 3.37Å; L495-M498 VanDerWaalsContact O-N 3.17Å; L495-C499 PolarHBondContact O-N 3.3Å; L495-C499 PolarHBondContact O-SG 3.48Å; L495-L522 HydrophobicContact CB-CD1 3.92Å |
| 496 | A | 90 | Very high | 82.4 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M492 C493 M498 C499 K500 L519 L522 V528 W531 | M492-A496 PolarHBondContact O-N 3.42Å; C493-A496 PolarHBondContact O-N 2.99Å; A496-M498 VanDerWaalsContact C-N 3.31Å; A496-M498 PolarHBondContact O-N 3.5Å; A496-C499 PolarHBondContact O-N 2.75Å; A496-K500 WeakPolarHBondContact O-CB 3.48Å; A496-K500 PolarHBondContact O-N 3.23Å; A496-L519 HydrophobicContact CB-CD1 4.14Å; A496-L522 HydrophobicContact CB-CD1 3.81Å; A496-V528 HydrophobicContact CB-CG1 4.4Å; A496-W531 HydrophobicContact CB-CE3 4.07Å; A496-W531 HydrophobicContact CB-CH2 3.91Å; A496-W531 HydrophobicContact CB-CZ3 3.62Å |
| 497 | Q | 91.9 | Very high | 83.7 | Confident | 91 Ų | 91 | 61.8 Ų | 61.8 | 43% | 0.425 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64 | -36 | 174.9 | -175.3 | 64.6 | 23.9 | 0 | 0 | 111.8 | C493 A494 L495 K500 S501 | C493-Q497 WeakPolarHBondContact O-CB 3.1Å; C493-Q497 PolarHBondContact O-N 3.11Å; A494-Q497 PolarHBondContact O-N 2.92Å; L495-Q497 VanDerWaalsContact C-N 3.34Å; L495-Q497 PolarHBondContact O-N 2.86Å; Q497-K500 PolarHBondContact O-N 3.11Å; Q497-S501 PolarHBondContact O-N 3.39Å; Q497-S501 VanDerWaalsContact O-N 3.1Å |
| 498 | M | 91 | Very high | 84.8 | Confident | 77 Ų | 77 | 63.1 Ų | 63.1 | 38% | 0.379 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.7 | -45 | 172.2 | -67.5 | -53.1 | -68.3 | 0 | 0 | 111.7 | F456 L468 A494 L495 A496 K500 S501 F502 | F456-M498 HydrophobicContact CZ-CE 3.75Å; F456-M498 HydrophobicContact CZ-CG 4.39Å; L468-M498 HydrophobicContact CD1-CB 4.16Å; L468-M498 HydrophobicContact CD2-CB 3.99Å; A494-M498 WeakPolarHBondContact O-CG 3.29Å; A494-M498 PolarHBondContact O-N 3.39Å; L495-M498 WeakPolarHBondContact O-CB 3.42Å; L495-M498 PolarHBondContact O-N 3.37Å; L495-M498 VanDerWaalsContact O-N 3.17Å; A496-M498 VanDerWaalsContact C-N 3.31Å; A496-M498 PolarHBondContact O-N 3.5Å; M498-K500 VanDerWaalsContact C-N 3.3Å; M498-K500 PolarHBondContact O-N 3.37Å; M498-S501 WeakPolarHBondContact O-CB 3.32Å; M498-S501 PolarHBondContact O-N 3.26Å; M498-S501 VanDerWaalsContact O-N 3.11Å; M498-S501 PolarHBondContact O-OG 3.37Å; M498-F502 VanDerWaalsContact O-CD2 3.32Å; M498-F502 WeakPolarHBondContact O-CD2 3.46Å |
| 499 | C | 93.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.7 | -44.8 | 174.4 | -69 | 0 | 0 | 0 | 0 | 111.1 | C472 L495 A496 S501 F502 L519 | C472-C499 VanDerWaalsContact SG-SG 3.63Å; L495-C499 PolarHBondContact O-N 3.3Å; L495-C499 PolarHBondContact O-SG 3.48Å; A496-C499 PolarHBondContact O-N 2.75Å; C499-S501 VanDerWaalsContact C-N 3.28Å; C499-S501 PolarHBondContact O-N 3.41Å; C499-F502 PolarHBondContact O-N 3.49Å; C499-F502 VanDerWaalsContact O-N 3.11Å; C499-L519 HydrophobicContact CB-CB 4.35Å |
| 500 | K | 93.6 | Very high | 86.6 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 27% | 0.27 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.6 | -37.3 | 175.9 | 169.8 | 179.4 | 168.2 | -175.8 | 0 | 112.9 | A496 Q497 M498 F502 M503 W531 D535 L538 | A496-K500 WeakPolarHBondContact O-CB 3.48Å; A496-K500 PolarHBondContact O-N 3.23Å; Q497-K500 PolarHBondContact O-N 3.11Å; M498-K500 VanDerWaalsContact C-N 3.3Å; M498-K500 PolarHBondContact O-N 3.37Å; K500-F502 PolarHBondContact O-N 2.65Å; K500-M503 WeakPolarHBondContact O-CB 3.4Å; K500-M503 PolarHBondContact O-N 3.24Å; K500-W531 HydrophobicContact CB-CH2 4.18Å; K500-W531 HydrophobicContact CD-CH2 4.02Å; K500-W531 HydrophobicContact CD-CZ2 4.12Å; K500-D535 WeakPolarHBondContact CE-OD2 3.47Å; K500-D535 IonicContact NZ-OD2 3.72Å; K500-D535 PolarHBondContact NZ-OD2 2.74Å; K500-L538 HydrophobicContact CB-CD1 4.38Å; K500-L538 HydrophobicContact CB-CD2 4.46Å; K500-L538 HydrophobicContact CD-CD2 4.37Å; K500-L538 HydrophobicContact CG-CD1 4.25Å |
| 501 | S | 91.6 | Very high | 87.3 | Confident | 62 Ų | 62 | 53 Ų | 53 | 43% | 0.434 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.5 | -29.7 | 178.6 | 76.3 | 0 | 0 | 0 | 0 | 113.1 | Q497 M498 C499 | Q497-S501 PolarHBondContact O-N 3.39Å; Q497-S501 VanDerWaalsContact O-N 3.1Å; M498-S501 WeakPolarHBondContact O-CB 3.32Å; M498-S501 PolarHBondContact O-N 3.26Å; M498-S501 VanDerWaalsContact O-N 3.11Å; M498-S501 PolarHBondContact O-OG 3.37Å; C499-S501 VanDerWaalsContact C-N 3.28Å; C499-S501 PolarHBondContact O-N 3.41Å |
| 502 | F | 91.4 | Very high | 88 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -3.6 | 176.6 | -69.5 | -72 | 0 | 0 | 0 | 114.2 | E461 K464 V465 L468 M498 C499 K500 A504 I511 R512 A515 | E461-F502 HydrophobicContact CB-CE1 4.45Å; E461-F502 HydrophobicContact CG-CE1 4.48Å; K464-F502 HydrophobicContact CB-CZ 4.46Å; V465-F502 HydrophobicContact CG2-CB 4.4Å; V465-F502 HydrophobicContact CG2-CD1 3.51Å; V465-F502 HydrophobicContact CG2-CD2 3.74Å; V465-F502 HydrophobicContact CG2-CE1 3.55Å; V465-F502 HydrophobicContact CG2-CE2 3.78Å; V465-F502 HydrophobicContact CG2-CG 3.61Å; V465-F502 HydrophobicContact CG2-CZ 3.68Å; L468-F502 HydrophobicContact CD2-CD2 4.09Å; L468-F502 HydrophobicContact CD2-CE2 4.12Å; M498-F502 VanDerWaalsContact O-CD2 3.32Å; M498-F502 WeakPolarHBondContact O-CD2 3.46Å; C499-F502 PolarHBondContact O-N 3.49Å; C499-F502 VanDerWaalsContact O-N 3.11Å; K500-F502 PolarHBondContact O-N 2.65Å; F502-A504 VanDerWaalsContact C-N 3.28Å; F502-A504 PolarHBondContact O-N 3.31Å; F502-I511 HydrophobicContact CB-CG2 4.17Å; F502-I511 HydrophobicContact CD1-CG2 3.89Å; F502-I511 HydrophobicContact CG-CG2 4.3Å; F502-R512 VanDerWaalsContact O-CG 3.3Å; F502-R512 WeakPolarHBondContact O-CG 3.5Å; F502-A515 HydrophobicContact CB-CB 3.75Å |
| 503 | M | 89.3 | Confident | 88.6 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -0.9 | 177.2 | -67.1 | -63.9 | -61.2 | 0 | 0 | 113.5 | K500 A515 A516 L538 L542 L545 | K500-M503 WeakPolarHBondContact O-CB 3.4Å; K500-M503 PolarHBondContact O-N 3.24Å; M503-A515 HydrophobicContact CG-CB 4.49Å; M503-A515 HydrophobicContact SD-CB 4.02Å; M503-A516 HydrophobicContact SD-CB 4.3Å; M503-L538 HydrophobicContact CB-CD1 4.26Å; M503-L538 HydrophobicContact CG-CD1 4.06Å; M503-L542 HydrophobicContact CE-CD2 3.55Å; M503-L542 HydrophobicContact CE-CG 4.08Å; M503-L545 HydrophobicContact CE-CB 4.41Å; M503-L545 HydrophobicContact CE-CD2 3.83Å; M503-L545 HydrophobicContact SD-CD2 4.45Å |
| 504 | A | 84.8 | Confident | 89.1 | Confident | 43 Ų | 43 | 49 Ų | 49 | 36% | 0.355 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -62.9 | 143 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F502 T506 T507 R512 | F502-A504 VanDerWaalsContact C-N 3.28Å; F502-A504 PolarHBondContact O-N 3.31Å; A504-T506 PolarHBondContact O-N 2.94Å; A504-T506 VanDerWaalsContact O-N 3.09Å; A504-T507 WeakPolarHBondContact O-CB 3.49Å; A504-T507 PolarHBondContact O-N 3.39Å; A504-T507 PolarHBondContact O-OG1 3.39Å; A504-R512 WeakPolarHBondContact O-CD 3.3Å |
| 505 | K | 76 | Confident | 89.5 | Confident | 145 Ų | 145 | 46.4 Ų | 46.4 | 63% | 0.63 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.3 | -178.8 | -71.3 | -168 | 171.7 | -162.7 | 0 | 114.7 | T507 S544 | K505-T507 PolarHBondContact O-N 3.11Å; K505-S544 WeakPolarHBondContact CE-OG 3.47Å; K505-S544 PolarHBondContact NZ-OG 2.81Å |
| 506 | T | 81.6 | Confident | 89.8 | Confident | 139 Ų | 139 | 44.8 Ų | 44.8 | 85% | 0.853 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -17 | 175.6 | 48.7 | 0 | 0 | 0 | 0 | 112.9 | A504 | A504-T506 PolarHBondContact O-N 2.94Å; A504-T506 VanDerWaalsContact O-N 3.09Å |
| 507 | T | 86.6 | Confident | 89.9 | Confident | 17 Ų | 17 | 46.5 Ų | 46.5 | 10% | 0.104 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -86.2 | 145.5 | -177.5 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | A504 K505 I511 R512 | A504-T507 WeakPolarHBondContact O-CB 3.49Å; A504-T507 PolarHBondContact O-N 3.39Å; A504-T507 PolarHBondContact O-OG1 3.39Å; K505-T507 PolarHBondContact O-N 3.11Å; T507-I511 HydrophobicContact CG2-CB 3.65Å; T507-I511 HydrophobicContact CG2-CD1 4.36Å; T507-I511 HydrophobicContact CG2-CG2 3.32Å; T507-R512 HydrophobicContact CG2-CG 4.35Å; T507-R512 PolarHBondContact O-NE 2.7Å; T507-R512 VanDerWaalsContact O-NE 3.08Å |
| 508 | S | 88.9 | Confident | 89.9 | Confident | 59 Ų | 59 | 42.1 Ų | 42.1 | 41% | 0.413 | 23% | 0.233 | S | C | . | . | trans | -56.9 | 150.8 | 179.3 | 69.7 | 0 | 0 | 0 | 0 | 112.2 | D510 I511 R512 | S508-D510 VanDerWaalsContact C-N 3.35Å; S508-D510 PolarHBondContact O-N 3.46Å; S508-I511 PolarHBondContact O-N 3.47Å; S508-I511 WeakPolarHBondContact OG-CB 3.22Å; S508-I511 VanDerWaalsContact OG-CD1 3.26Å; S508-I511 WeakPolarHBondContact OG-CD1 3.45Å; S508-I511 WeakPolarHBondContact OG-CG1 3.47Å; S508-R512 PolarHBondContact O-N 3.04Å | ||
| 509 | L | 88.8 | Confident | 90.1 | Very high | 49 Ų | 49 | 38.5 Ų | 38.5 | 26% | 0.257 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.9 | -44.1 | -176.9 | -172.6 | 144.5 | 0 | 0 | 0 | 111.8 | I511 R512 C513 E548 A549 L552 | L509-I511 VanDerWaalsContact C-N 3.32Å; L509-I511 PolarHBondContact O-N 3.17Å; L509-R512 WeakPolarHBondContact O-CB 3.41Å; L509-R512 PolarHBondContact O-N 3.43Å; L509-C513 PolarHBondContact O-N 3.44Å; L509-C513 PolarHBondContact O-SG 2.96Å; L509-E548 HydrophobicContact CD1-CB 4.24Å; L509-A549 HydrophobicContact CD1-CB 3.99Å; L509-A549 HydrophobicContact CD2-CB 3.73Å; L509-A549 HydrophobicContact CG-CB 3.99Å; L509-L552 HydrophobicContact CD2-CD1 4.03Å |
| 510 | D | 86.9 | Confident | 90.2 | Very high | 94 Ų | 94 | 38.7 Ų | 38.7 | 50% | 0.503 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58 | -43.4 | 177.3 | -61.8 | -17.9 | 0 | 0 | 0 | 112.5 | S508 C513 L514 | S508-D510 VanDerWaalsContact C-N 3.35Å; S508-D510 PolarHBondContact O-N 3.46Å; D510-C513 PolarHBondContact O-N 2.9Å; D510-L514 WeakPolarHBondContact O-CG 3.27Å; D510-L514 PolarHBondContact O-N 3.33Å |
| 511 | I | 91.3 | Very high | 90 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.4 | -40 | 179.7 | -69.4 | 174.5 | 0 | 0 | 0 | 110.4 | E461 V465 F502 T507 S508 L509 L514 A515 | E461-I511 HydrophobicContact CB-CD1 3.75Å; V465-I511 HydrophobicContact CB-CG2 4.21Å; V465-I511 HydrophobicContact CG1-CG2 4.28Å; V465-I511 HydrophobicContact CG2-CG2 3.51Å; F502-I511 HydrophobicContact CB-CG2 4.17Å; F502-I511 HydrophobicContact CD1-CG2 3.89Å; F502-I511 HydrophobicContact CG-CG2 4.3Å; T507-I511 HydrophobicContact CG2-CB 3.65Å; T507-I511 HydrophobicContact CG2-CD1 4.36Å; T507-I511 HydrophobicContact CG2-CG2 3.32Å; S508-I511 PolarHBondContact O-N 3.47Å; S508-I511 WeakPolarHBondContact OG-CB 3.22Å; S508-I511 VanDerWaalsContact OG-CD1 3.26Å; S508-I511 WeakPolarHBondContact OG-CD1 3.45Å; S508-I511 WeakPolarHBondContact OG-CG1 3.47Å; L509-I511 VanDerWaalsContact C-N 3.32Å; L509-I511 PolarHBondContact O-N 3.17Å; I511-L514 PolarHBondContact O-N 2.9Å; I511-A515 WeakPolarHBondContact O-CB 3.37Å; I511-A515 PolarHBondContact O-N 3.2Å |
| 512 | R | 93.9 | Very high | 90 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 6% | 0.064 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 174.6 | -71.8 | -173.5 | -76.5 | 154.2 | 1.6 | 111.8 | F502 A504 T507 S508 L509 A515 A516 L545 E548 | F502-R512 VanDerWaalsContact O-CG 3.3Å; F502-R512 WeakPolarHBondContact O-CG 3.5Å; A504-R512 WeakPolarHBondContact O-CD 3.3Å; T507-R512 HydrophobicContact CG2-CG 4.35Å; T507-R512 PolarHBondContact O-NE 2.7Å; T507-R512 VanDerWaalsContact O-NE 3.08Å; S508-R512 PolarHBondContact O-N 3.04Å; L509-R512 WeakPolarHBondContact O-CB 3.41Å; L509-R512 PolarHBondContact O-N 3.43Å; R512-A515 PolarHBondContact O-N 3.02Å; R512-A516 WeakPolarHBondContact O-CB 3.3Å; R512-A516 PolarHBondContact O-N 3.36Å; R512-L545 HydrophobicContact CB-CD1 3.72Å; R512-L545 HydrophobicContact CB-CD2 4.19Å; R512-E548 IonicContact CZ-OE2 2.68Å; R512-E548 IonicContact NH1-OE1 3.01Å; R512-E548 IonicContact NH1-OE2 2.71Å; R512-E548 PolarHBondContact NH1-OE2 3.28Å; R512-E548 IonicContact NH2-OE2 2.76Å; R512-E548 PolarHBondContact NH2-OE2 3.01Å |
| 513 | C | 92.6 | Very high | 90 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 14% | 0.135 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | 174.8 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | L509 D510 A516 E517 | L509-C513 PolarHBondContact O-N 3.44Å; L509-C513 PolarHBondContact O-SG 2.96Å; D510-C513 PolarHBondContact O-N 2.9Å; C513-A516 PolarHBondContact O-N 3.36Å; C513-E517 PolarHBondContact O-N 3.39Å |
| 514 | L | 91.1 | Very high | 89.9 | Confident | 27 Ų | 27 | 35.2 Ų | 35.2 | 14% | 0.141 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 176.2 | -70.3 | 169.7 | 0 | 0 | 0 | 111.9 | V465 R466 V469 D510 I511 A516 E517 G518 | V465-L514 HydrophobicContact CG1-CB 3.6Å; R466-L514 HydrophobicContact CG-CD1 3.98Å; V469-L514 HydrophobicContact CG2-CB 4.3Å; V469-L514 WeakPolarHBondContact CG2-O 3.46Å; D510-L514 WeakPolarHBondContact O-CG 3.27Å; D510-L514 PolarHBondContact O-N 3.33Å; I511-L514 PolarHBondContact O-N 2.9Å; L514-A516 VanDerWaalsContact C-N 3.3Å; L514-A516 PolarHBondContact O-N 3.08Å; L514-E517 WeakPolarHBondContact O-CB 3.37Å; L514-E517 PolarHBondContact O-N 2.97Å; L514-E517 VanDerWaalsContact O-N 3.12Å; L514-G518 PolarHBondContact O-N 3.26Å |
| 515 | A | 94.6 | Very high | 90 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | V465 F502 M503 I511 R512 G518 L519 | V465-A515 HydrophobicContact CG1-CB 4.34Å; F502-A515 HydrophobicContact CB-CB 3.75Å; M503-A515 HydrophobicContact CG-CB 4.49Å; M503-A515 HydrophobicContact SD-CB 4.02Å; I511-A515 WeakPolarHBondContact O-CB 3.37Å; I511-A515 PolarHBondContact O-N 3.2Å; R512-A515 PolarHBondContact O-N 3.02Å; A515-G518 PolarHBondContact O-N 3.46Å; A515-L519 WeakPolarHBondContact O-CB 3.35Å; A515-L519 PolarHBondContact O-N 3.2Å |
| 516 | A | 96.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.7 | -37.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M503 R512 C513 L514 L519 A520 L542 L545 V557 | M503-A516 HydrophobicContact SD-CB 4.3Å; R512-A516 WeakPolarHBondContact O-CB 3.3Å; R512-A516 PolarHBondContact O-N 3.36Å; C513-A516 PolarHBondContact O-N 3.36Å; L514-A516 VanDerWaalsContact C-N 3.3Å; L514-A516 PolarHBondContact O-N 3.08Å; A516-L519 PolarHBondContact O-N 3.23Å; A516-A520 WeakPolarHBondContact O-CB 3.38Å; A516-A520 PolarHBondContact O-N 2.67Å; A516-L542 HydrophobicContact CB-CD2 4.11Å; A516-L545 HydrophobicContact CB-CD2 3.88Å; A516-V557 HydrophobicContact CB-CG2 4.45Å |
| 517 | E | 93.1 | Very high | 90.8 | Very high | 35 Ų | 35 | 21.1 Ų | 21.1 | 16% | 0.164 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 173.2 | -171 | -177.3 | 159.3 | 0 | 0 | 112 | V469 C513 L514 L519 A520 Y521 F555 | V469-E517 HydrophobicContact CG1-CG 4.39Å; C513-E517 PolarHBondContact O-N 3.39Å; L514-E517 WeakPolarHBondContact O-CB 3.37Å; L514-E517 PolarHBondContact O-N 2.97Å; L514-E517 VanDerWaalsContact O-N 3.12Å; E517-L519 VanDerWaalsContact C-N 3.29Å; E517-L519 PolarHBondContact O-N 3.37Å; E517-A520 VanDerWaalsContact O-CB 3.29Å; E517-A520 WeakPolarHBondContact O-CB 3.46Å; E517-A520 PolarHBondContact O-N 2.55Å; E517-A520 VanDerWaalsContact O-N 3.11Å; E517-Y521 HydrophobicContact CG-CE2 3.78Å; E517-Y521 VanDerWaalsContact O-CD2 3.24Å; E517-Y521 WeakPolarHBondContact O-CD2 3.4Å; E517-Y521 PolarHBondContact O-N 3.32Å; E517-Y521 PolarHBondContact OE1-OH 3.28Å; E517-Y521 VanDerWaalsContact OE1-OH 3.05Å; E517-F555 HydrophobicContact CG-CD1 4.03Å; E517-F555 HydrophobicContact CG-CE1 3.92Å |
| 518 | G | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.7 | -44.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C472 L514 A515 A520 Y521 L522 | C472-G518 WeakPolarHBondContact CB-O 3.4Å; L514-G518 PolarHBondContact O-N 3.26Å; A515-G518 PolarHBondContact O-N 3.46Å; G518-A520 VanDerWaalsContact C-N 3.33Å; G518-A520 PolarHBondContact O-N 3.25Å; G518-Y521 PolarHBondContact O-N 3.45Å; G518-L522 PolarHBondContact O-N 3.03Å |
| 519 | L | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.1 | -35.2 | 175.7 | -171.2 | 60.4 | 0 | 0 | 0 | 112.4 | A496 C499 A515 A516 E517 Y521 L522 T523 V528 W531 L532 L538 L542 I560 | A496-L519 HydrophobicContact CB-CD1 4.14Å; C499-L519 HydrophobicContact CB-CB 4.35Å; A515-L519 WeakPolarHBondContact O-CB 3.35Å; A515-L519 PolarHBondContact O-N 3.2Å; A516-L519 PolarHBondContact O-N 3.23Å; E517-L519 VanDerWaalsContact C-N 3.29Å; E517-L519 PolarHBondContact O-N 3.37Å; L519-Y521 VanDerWaalsContact C-N 3.32Å; L519-Y521 PolarHBondContact O-N 3.12Å; L519-L522 PolarHBondContact O-N 3.15Å; L519-L522 VanDerWaalsContact O-N 3.12Å; L519-T523 HydrophobicContact CG-CG2 4.41Å; L519-T523 VanDerWaalsContact O-CG2 3.32Å; L519-T523 WeakPolarHBondContact O-CG2 3.25Å; L519-T523 PolarHBondContact O-N 3.21Å; L519-T523 PolarHBondContact O-OG1 2.84Å; L519-V528 HydrophobicContact CD1-CG1 4.41Å; L519-W531 HydrophobicContact CD1-CZ3 4.22Å; L519-L532 HydrophobicContact CD1-CD1 4.14Å; L519-L532 HydrophobicContact CD2-CD1 3.63Å; L519-L532 HydrophobicContact CD2-CG 4.38Å; L519-L532 HydrophobicContact CG-CD1 3.81Å; L519-L538 HydrophobicContact CD2-CD2 4.17Å; L519-L542 HydrophobicContact CD2-CD1 4.48Å; L519-I560 HydrophobicContact CB-CD1 4.16Å; L519-I560 HydrophobicContact CD2-CD1 4.12Å; L519-I560 HydrophobicContact CG-CD1 4.13Å |
| 520 | A | 93.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 16 Ų | 16 | 3% | 0.033 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.1 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A516 E517 G518 T523 G556 I560 N563 | A516-A520 WeakPolarHBondContact O-CB 3.38Å; A516-A520 PolarHBondContact O-N 2.67Å; E517-A520 VanDerWaalsContact O-CB 3.29Å; E517-A520 WeakPolarHBondContact O-CB 3.46Å; E517-A520 PolarHBondContact O-N 2.55Å; E517-A520 VanDerWaalsContact O-N 3.11Å; G518-A520 VanDerWaalsContact C-N 3.33Å; G518-A520 PolarHBondContact O-N 3.25Å; A520-T523 PolarHBondContact O-N 3.08Å; A520-T523 PolarHBondContact O-OG1 3.24Å; A520-G556 WeakPolarHBondContact CB-O 3.46Å; A520-I560 HydrophobicContact CB-CG1 3.86Å; A520-N563 PolarHBondContact O-ND2 2.99Å |
| 521 | Y | 90.2 | Very high | 91.7 | Very high | 37 Ų | 37 | 14.8 Ų | 14.8 | 15% | 0.145 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 174.8 | -64.7 | -62.7 | 0 | 0 | 0 | 112.4 | V469 K473 S476 E517 G518 L519 T523 L524 | V469-Y521 HydrophobicContact CG1-CD2 4.33Å; V469-Y521 HydrophobicContact CG1-CE2 3.96Å; K473-Y521 HydrophobicContact CB-CD2 3.98Å; K473-Y521 HydrophobicContact CB-CE2 4.24Å; K473-Y521 HydrophobicContact CB-CG 4.15Å; K473-Y521 HydrophobicContact CD-CD1 4.48Å; K473-Y521 HydrophobicContact CD-CD2 4.48Å; K473-Y521 HydrophobicContact CD-CE1 3.98Å; K473-Y521 HydrophobicContact CD-CE2 3.98Å; K473-Y521 HydrophobicContact CG-CD1 3.95Å; K473-Y521 HydrophobicContact CG-CD2 4.15Å; K473-Y521 HydrophobicContact CG-CE1 3.94Å; K473-Y521 HydrophobicContact CG-CE2 4.15Å; K473-Y521 HydrophobicContact CG-CG 4.07Å; S476-Y521 WeakPolarHBondContact CB-O 3.25Å; S476-Y521 PolarHBondContact OG-O 3.29Å; E517-Y521 HydrophobicContact CG-CE2 3.78Å; E517-Y521 VanDerWaalsContact O-CD2 3.24Å; E517-Y521 WeakPolarHBondContact O-CD2 3.4Å; E517-Y521 PolarHBondContact O-N 3.32Å; E517-Y521 PolarHBondContact OE1-OH 3.28Å; E517-Y521 VanDerWaalsContact OE1-OH 3.05Å; G518-Y521 PolarHBondContact O-N 3.45Å; L519-Y521 VanDerWaalsContact C-N 3.32Å; L519-Y521 PolarHBondContact O-N 3.12Å; Y521-T523 VanDerWaalsContact C-N 3.32Å; Y521-T523 PolarHBondContact O-N 3.37Å; Y521-L524 WeakPolarHBondContact O-CB 3.41Å; Y521-L524 WeakPolarHBondContact O-CG 3.33Å; Y521-L524 PolarHBondContact O-N 2.9Å |
| 522 | L | 91.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68.4 | -31.1 | 179.9 | -63.9 | 178.1 | 0 | 0 | 0 | 112.5 | C472 A475 S476 M492 L495 A496 G518 L519 L524 D525 V528 | C472-L522 HydrophobicContact CB-CD1 4.34Å; C472-L522 HydrophobicContact CB-CD2 4.04Å; C472-L522 HydrophobicContact CB-CG 3.92Å; A475-L522 HydrophobicContact CB-CD2 4.4Å; S476-L522 WeakPolarHBondContact OG-CA 3.42Å; M492-L522 HydrophobicContact CE-CD2 4.21Å; L495-L522 HydrophobicContact CB-CD1 3.92Å; A496-L522 HydrophobicContact CB-CD1 3.81Å; G518-L522 PolarHBondContact O-N 3.03Å; L519-L522 PolarHBondContact O-N 3.15Å; L519-L522 VanDerWaalsContact O-N 3.12Å; L522-L524 PolarHBondContact O-N 3.45Å; L522-L524 VanDerWaalsContact O-N 3.11Å; L522-D525 WeakPolarHBondContact O-CB 3.08Å; L522-D525 PolarHBondContact O-N 2.9Å; L522-D525 VanDerWaalsContact O-N 3.11Å; L522-V528 HydrophobicContact CB-CG1 3.97Å; L522-V528 HydrophobicContact CB-CG2 4.41Å; L522-V528 WeakPolarHBondContact O-CB 3.22Å |
| 523 | T | 92.1 | Very high | 92 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 0.6 | 178.2 | 57.6 | 0 | 0 | 0 | 0 | 114.7 | L519 A520 Y521 D525 V528 K529 L532 I560 N563 | L519-T523 HydrophobicContact CG-CG2 4.41Å; L519-T523 VanDerWaalsContact O-CG2 3.32Å; L519-T523 WeakPolarHBondContact O-CG2 3.25Å; L519-T523 PolarHBondContact O-N 3.21Å; L519-T523 PolarHBondContact O-OG1 2.84Å; A520-T523 PolarHBondContact O-N 3.08Å; A520-T523 PolarHBondContact O-OG1 3.24Å; Y521-T523 VanDerWaalsContact C-N 3.32Å; Y521-T523 PolarHBondContact O-N 3.37Å; T523-D525 PolarHBondContact O-N 2.87Å; T523-V528 HydrophobicContact CG2-CG1 4.11Å; T523-K529 WeakPolarHBondContact O-CE 3.32Å; T523-K529 VanDerWaalsContact O-CG 3.25Å; T523-K529 WeakPolarHBondContact O-CG 3.37Å; T523-L532 HydrophobicContact CG2-CD1 3.49Å; T523-L532 VanDerWaalsContact CG2-CD1 3.49Å; T523-I560 HydrophobicContact CG2-CG1 4.37Å; T523-I560 HydrophobicContact CG2-CG2 4.26Å; T523-N563 WeakPolarHBondContact O-CB 3.1Å; T523-N563 PolarHBondContact OG1-ND2 3.45Å |
| 524 | L | 87.6 | Confident | 92 | Very high | 40 Ų | 40 | 17.5 Ų | 17.5 | 21% | 0.209 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -29 | 164.7 | -67.6 | 173 | 0 | 0 | 0 | 111.4 | Y521 L522 | Y521-L524 WeakPolarHBondContact O-CB 3.41Å; Y521-L524 WeakPolarHBondContact O-CG 3.33Å; Y521-L524 PolarHBondContact O-N 2.9Å; L522-L524 PolarHBondContact O-N 3.45Å; L522-L524 VanDerWaalsContact O-N 3.11Å |
| 525 | D | 86.1 | Confident | 92.2 | Very high | 17 Ų | 17 | 17.5 Ų | 17.5 | 9% | 0.091 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -86.1 | 134.3 | 177.5 | -179.4 | -76.6 | 0 | 0 | 0 | 111.5 | R485 M492 L522 T523 D527 V528 K529 | R485-D525 IonicContact CZ-OD2 2.77Å; R485-D525 VanDerWaalsContact CZ-OD2 3.25Å; R485-D525 IonicContact NE-OD2 3.5Å; R485-D525 PolarHBondContact NE-OD2 3.44Å; R485-D525 IonicContact NH2-OD1 3.97Å; R485-D525 PolarHBondContact NH2-OD1 3.35Å; R485-D525 VanDerWaalsContact NH2-OD1 3.08Å; R485-D525 IonicContact NH2-OD2 3.61Å; R485-D525 PolarHBondContact NH2-OD2 3.41Å; M492-D525 HydrophobicContact CE-CB 3.51Å; M492-D525 HydrophobicContact SD-CB 4.43Å; L522-D525 WeakPolarHBondContact O-CB 3.08Å; L522-D525 PolarHBondContact O-N 2.9Å; L522-D525 VanDerWaalsContact O-N 3.11Å; T523-D525 PolarHBondContact O-N 2.87Å; D525-D527 PolarHBondContact O-N 2.9Å; D525-D527 WeakPolarHBondContact OD1-CA 3.08Å; D525-D527 VanDerWaalsContact OD1-CB 3.28Å; D525-D527 WeakPolarHBondContact OD1-CB 3.19Å; D525-D527 PolarHBondContact OD1-N 2.82Å; D525-V528 HydrophobicContact CB-CG2 4.18Å; D525-V528 PolarHBondContact O-N 2.51Å; D525-V528 PolarHBondContact OD1-N 2.85Å; D525-K529 WeakPolarHBondContact O-CG 3.08Å; D525-K529 PolarHBondContact O-N 2.85Å; D525-K529 VanDerWaalsContact O-N 3.16Å |
| 526 | A | 87.6 | Confident | 92.2 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 3% | 0.025 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -71.6 | -27.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V528 K529 E530 H592 K594 | A526-V528 VanDerWaalsContact C-N 3.33Å; A526-K529 WeakPolarHBondContact O-CB 3.41Å; A526-K529 PolarHBondContact O-N 3.09Å; A526-E530 PolarHBondContact O-N 3.05Å; A526-E530 VanDerWaalsContact O-N 3.11Å; A526-H592 HydrophobicContact CB-CB 3.74Å; A526-H592 VanDerWaalsContact CB-CG 3.47Å; A526-H592 WeakPolarHBondContact CB-ND1 3.15Å; A526-K594 HydrophobicContact CB-CB 3.99Å |
| 527 | D | 87.7 | Confident | 92.1 | Very high | 11 Ų | 11 | 27.8 Ų | 27.8 | 6% | 0.059 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67 | -40.8 | 175.2 | -60.6 | -42.2 | 0 | 0 | 0 | 110.3 | R485 E489 D525 K529 E530 W531 H592 K594 | R485-D527 IonicContact CZ-OD2 3.83Å; R485-D527 VanDerWaalsContact CZ-OD2 3.31Å; R485-D527 IonicContact NH1-OD2 3.24Å; R485-D527 PolarHBondContact NH1-OD2 3.46Å; R485-D527 IonicContact NH2-OD2 3.07Å; R485-D527 PolarHBondContact NH2-OD2 3.38Å; E489-D527 HydrophobicContact CG-CB 4.28Å; D525-D527 PolarHBondContact O-N 2.9Å; D525-D527 WeakPolarHBondContact OD1-CA 3.08Å; D525-D527 VanDerWaalsContact OD1-CB 3.28Å; D525-D527 WeakPolarHBondContact OD1-CB 3.19Å; D525-D527 PolarHBondContact OD1-N 2.82Å; D527-K529 VanDerWaalsContact C-N 3.34Å; D527-E530 PolarHBondContact O-N 3.37Å; D527-W531 WeakPolarHBondContact O-CB 3.25Å; D527-W531 PolarHBondContact O-N 3.24Å; D527-H592 IonicContact OD1-CE1 3.21Å; D527-H592 IonicContact OD1-NE2 2.86Å; D527-H592 IonicContact OD2-NE2 2.63Å; D527-K594 WeakPolarHBondContact OD1-CD 3.47Å; D527-K594 WeakPolarHBondContact OD1-CE 3.46Å; D527-K594 IonicContact OD1-NZ 3.45Å; D527-K594 PolarHBondContact OD1-NZ 3.2Å |
| 528 | V | 89.7 | Confident | 92.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66 | -37.2 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | M492 A496 L519 L522 T523 D525 A526 W531 L532 | M492-V528 HydrophobicContact CB-CG2 4.44Å; M492-V528 HydrophobicContact CE-CG2 4.28Å; A496-V528 HydrophobicContact CB-CG1 4.4Å; L519-V528 HydrophobicContact CD1-CG1 4.41Å; L522-V528 HydrophobicContact CB-CG1 3.97Å; L522-V528 HydrophobicContact CB-CG2 4.41Å; L522-V528 WeakPolarHBondContact O-CB 3.22Å; T523-V528 HydrophobicContact CG2-CG1 4.11Å; D525-V528 HydrophobicContact CB-CG2 4.18Å; D525-V528 PolarHBondContact O-N 2.51Å; D525-V528 PolarHBondContact OD1-N 2.85Å; A526-V528 VanDerWaalsContact C-N 3.33Å; V528-W531 HydrophobicContact CG1-CE3 4.47Å; V528-W531 PolarHBondContact O-N 3.25Å; V528-L532 WeakPolarHBondContact O-CB 3.23Å; V528-L532 PolarHBondContact O-N 3.16Å |
| 529 | K | 93.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.9 | -49.3 | 174.5 | -65.8 | 172.3 | -151.5 | 168 | 0 | 111.1 | T523 D525 A526 D527 L532 I533 N563 L564 N566 D595 R603 | T523-K529 WeakPolarHBondContact O-CE 3.32Å; T523-K529 VanDerWaalsContact O-CG 3.25Å; T523-K529 WeakPolarHBondContact O-CG 3.37Å; D525-K529 WeakPolarHBondContact O-CG 3.08Å; D525-K529 PolarHBondContact O-N 2.85Å; D525-K529 VanDerWaalsContact O-N 3.16Å; A526-K529 WeakPolarHBondContact O-CB 3.41Å; A526-K529 PolarHBondContact O-N 3.09Å; D527-K529 VanDerWaalsContact C-N 3.34Å; K529-L532 PolarHBondContact O-N 3.43Å; K529-I533 WeakPolarHBondContact O-CB 3.46Å; K529-I533 PolarHBondContact O-N 2.81Å; K529-N563 WeakPolarHBondContact CD-O 3.49Å; K529-L564 HydrophobicContact CB-CD2 3.87Å; K529-L564 HydrophobicContact CG-CD2 4.21Å; K529-N566 PolarHBondContact NZ-OD1 2.91Å; K529-D595 IonicContact NZ-OD1 3.64Å; K529-D595 PolarHBondContact NZ-OD1 2.94Å; K529-D595 IonicContact NZ-OD2 3.9Å; K529-D595 PolarHBondContact NZ-OD2 2.77Å; K529-R603 VanDerWaalsContact CD-NH1 3.25Å |
| 530 | E | 93.2 | Very high | 92.3 | Very high | 18 Ų | 18 | 33.2 Ų | 33.2 | 8% | 0.084 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.2 | -36.9 | 178.3 | -67.7 | -53.1 | 126.9 | 0 | 0 | 112.3 | A526 D527 I533 N534 K594 R603 | A526-E530 PolarHBondContact O-N 3.05Å; A526-E530 VanDerWaalsContact O-N 3.11Å; D527-E530 PolarHBondContact O-N 3.37Å; E530-I533 WeakPolarHBondContact O-CG2 3.43Å; E530-N534 WeakPolarHBondContact O-CB 3.15Å; E530-N534 PolarHBondContact O-N 3.12Å; E530-N534 PolarHBondContact O-ND2 3.27Å; E530-K594 HydrophobicContact CB-CD 4.36Å; E530-K594 HydrophobicContact CG-CB 4Å; E530-K594 HydrophobicContact CG-CD 3.75Å; E530-K594 HydrophobicContact CG-CG 4.14Å; E530-R603 WeakPolarHBondContact OE1-CD 3.24Å; E530-R603 WeakPolarHBondContact OE1-CG 3.46Å; E530-R603 IonicContact OE1-CZ 3.27Å; E530-R603 IonicContact OE1-NE 3.55Å; E530-R603 PolarHBondContact OE1-NE 3.06Å |
| 531 | W | 93.1 | Very high | 92.4 | Very high | 68 Ų | 68 | 34.8 Ų | 34.8 | 26% | 0.258 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 173.9 | 172.3 | 84.4 | 0 | 0 | 0 | 111.8 | A496 K500 L519 D527 V528 D535 L538 | A496-W531 HydrophobicContact CB-CE3 4.07Å; A496-W531 HydrophobicContact CB-CH2 3.91Å; A496-W531 HydrophobicContact CB-CZ3 3.62Å; K500-W531 HydrophobicContact CB-CH2 4.18Å; K500-W531 HydrophobicContact CD-CH2 4.02Å; K500-W531 HydrophobicContact CD-CZ2 4.12Å; L519-W531 HydrophobicContact CD1-CZ3 4.22Å; D527-W531 WeakPolarHBondContact O-CB 3.25Å; D527-W531 PolarHBondContact O-N 3.24Å; V528-W531 HydrophobicContact CG1-CE3 4.47Å; V528-W531 PolarHBondContact O-N 3.25Å; W531-D535 PolarHBondContact O-N 3.12Å; W531-L538 HydrophobicContact CH2-CD2 3.95Å; W531-L538 HydrophobicContact CZ3-CD2 3.81Å |
| 532 | L | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67 | -47.5 | -177.5 | -172.4 | 169.1 | 0 | 0 | 0 | 111.1 | L519 T523 V528 K529 N534 D535 L538 L539 L542 I560 L564 | L519-L532 HydrophobicContact CD1-CD1 4.14Å; L519-L532 HydrophobicContact CD2-CD1 3.63Å; L519-L532 HydrophobicContact CD2-CG 4.38Å; L519-L532 HydrophobicContact CG-CD1 3.81Å; T523-L532 HydrophobicContact CG2-CD1 3.49Å; T523-L532 VanDerWaalsContact CG2-CD1 3.49Å; V528-L532 WeakPolarHBondContact O-CB 3.23Å; V528-L532 PolarHBondContact O-N 3.16Å; K529-L532 PolarHBondContact O-N 3.43Å; L532-N534 VanDerWaalsContact C-N 3.27Å; L532-N534 PolarHBondContact O-N 3.29Å; L532-D535 PolarHBondContact O-N 2.94Å; L532-L538 HydrophobicContact CG-CD2 4Å; L532-L539 HydrophobicContact CD2-CD2 3.41Å; L532-L539 VanDerWaalsContact CD2-CD2 3.41Å; L532-L539 HydrophobicContact CD2-CG 4.24Å; L532-L542 HydrophobicContact CD1-CD1 4.49Å; L532-L542 HydrophobicContact CD2-CD1 4.15Å; L532-I560 HydrophobicContact CD1-CG2 3.78Å; L532-L564 HydrophobicContact CD2-CD1 3.95Å |
| 533 | I | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.4 | -33.3 | -176.3 | -160 | 78.4 | 0 | 0 | 0 | 112.5 | K529 E530 D535 L539 L564 R603 I606 L607 | K529-I533 WeakPolarHBondContact O-CB 3.46Å; K529-I533 PolarHBondContact O-N 2.81Å; E530-I533 WeakPolarHBondContact O-CG2 3.43Å; I533-D535 PolarHBondContact O-N 3.41Å; I533-L539 HydrophobicContact CD1-CD1 3.91Å; I533-L539 HydrophobicContact CD1-CD2 4.23Å; I533-L539 HydrophobicContact CG1-CD1 4.34Å; I533-L539 WeakPolarHBondContact O-CD1 3.04Å; I533-L564 HydrophobicContact CD1-CD1 4.2Å; I533-R603 HydrophobicContact CB-CG 4.08Å; I533-R603 HydrophobicContact CD1-CB 4.38Å; I533-R603 HydrophobicContact CD1-CG 4.48Å; I533-R603 WeakPolarHBondContact CD1-O 3.46Å; I533-R603 HydrophobicContact CG1-CB 4.3Å; I533-R603 HydrophobicContact CG1-CG 4.01Å; I533-R603 HydrophobicContact CG2-CG 3.87Å; I533-I606 HydrophobicContact CD1-CB 4.23Å; I533-I606 HydrophobicContact CD1-CG2 4.24Å; I533-I606 HydrophobicContact CG1-CB 3.95Å; I533-I606 HydrophobicContact CG1-CD1 4.11Å; I533-I606 HydrophobicContact CG1-CG2 3.99Å; I533-L607 HydrophobicContact CD1-CB 4.09Å |
| 534 | N | 94.5 | Very high | 93 | Very high | 106 Ų | 106 | 35 Ų | 35 | 57% | 0.567 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -75.6 | -13.4 | 178.6 | -73.7 | -51.7 | 0 | 0 | 0 | 112.4 | E530 L532 V536 | E530-N534 WeakPolarHBondContact O-CB 3.15Å; E530-N534 PolarHBondContact O-N 3.12Å; E530-N534 PolarHBondContact O-ND2 3.27Å; L532-N534 VanDerWaalsContact C-N 3.27Å; L532-N534 PolarHBondContact O-N 3.29Å; N534-V536 PolarHBondContact O-N 3.46Å |
| 535 | D | 95.2 | Very high | 93.4 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | trans | -92.6 | 83.6 | 171.5 | -168.7 | -17.4 | 0 | 0 | 0 | 111.6 | K500 W531 L532 I533 K537 L538 L539 | K500-D535 WeakPolarHBondContact CE-OD2 3.47Å; K500-D535 IonicContact NZ-OD2 3.72Å; K500-D535 PolarHBondContact NZ-OD2 2.74Å; W531-D535 PolarHBondContact O-N 3.12Å; L532-D535 PolarHBondContact O-N 2.94Å; I533-D535 PolarHBondContact O-N 3.41Å; D535-K537 PolarHBondContact O-N 2.76Å; D535-K537 VanDerWaalsContact O-N 3.13Å; D535-K537 WeakPolarHBondContact OD1-CB 3.47Å; D535-K537 PolarHBondContact OD1-N 3.26Å; D535-K537 VanDerWaalsContact OD1-N 3.09Å; D535-L538 HydrophobicContact CB-CB 3.92Å; D535-L538 WeakPolarHBondContact O-CB 3.41Å; D535-L538 PolarHBondContact O-N 2.67Å; D535-L538 PolarHBondContact OD1-N 2.93Å; D535-L539 PolarHBondContact O-N 3.15Å | ||
| 536 | V | 94.6 | Very high | 93.8 | Very high | 49 Ų | 49 | 32.3 Ų | 32.3 | 30% | 0.297 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -55.1 | -32.2 | 177.3 | 175.9 | 0 | 0 | 0 | 0 | 112.7 | N534 L539 R540 E610 | N534-V536 PolarHBondContact O-N 3.46Å; V536-L539 PolarHBondContact O-N 3.02Å; V536-R540 WeakPolarHBondContact O-CG 3.49Å; V536-R540 PolarHBondContact O-N 3.27Å; V536-E610 VanDerWaalsContact CG1-CD 3.46Å; V536-E610 HydrophobicContact CG1-CG 4.21Å; V536-E610 WeakPolarHBondContact CG1-OE1 3.33Å; V536-E610 WeakPolarHBondContact CG1-OE2 3.46Å |
| 537 | K | 93.7 | Very high | 94.1 | Very high | 169 Ų | 169 | 36.6 Ų | 36.6 | 74% | 0.735 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -70.1 | -39.7 | 179 | -65.2 | 178.7 | -179.5 | 175.1 | 0 | 111.1 | D535 S541 | D535-K537 PolarHBondContact O-N 2.76Å; D535-K537 VanDerWaalsContact O-N 3.13Å; D535-K537 WeakPolarHBondContact OD1-CB 3.47Å; D535-K537 PolarHBondContact OD1-N 3.26Å; D535-K537 VanDerWaalsContact OD1-N 3.09Å; K537-S541 PolarHBondContact O-N 3.46Å; K537-S541 VanDerWaalsContact O-N 3.08Å; K537-S541 PolarHBondContact O-OG 3.29Å |
| 538 | L | 95 | Very high | 94.3 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.8 | -44.1 | 174.3 | 178.7 | 57 | 0 | 0 | 0 | 111.1 | K500 M503 L519 W531 L532 D535 R540 S541 L542 | K500-L538 HydrophobicContact CB-CD1 4.38Å; K500-L538 HydrophobicContact CB-CD2 4.46Å; K500-L538 HydrophobicContact CD-CD2 4.37Å; K500-L538 HydrophobicContact CG-CD1 4.25Å; M503-L538 HydrophobicContact CB-CD1 4.26Å; M503-L538 HydrophobicContact CG-CD1 4.06Å; L519-L538 HydrophobicContact CD2-CD2 4.17Å; W531-L538 HydrophobicContact CH2-CD2 3.95Å; W531-L538 HydrophobicContact CZ3-CD2 3.81Å; L532-L538 HydrophobicContact CG-CD2 4Å; D535-L538 HydrophobicContact CB-CB 3.92Å; D535-L538 WeakPolarHBondContact O-CB 3.41Å; D535-L538 PolarHBondContact O-N 2.67Å; D535-L538 PolarHBondContact OD1-N 2.93Å; L538-R540 PolarHBondContact O-N 2.82Å; L538-S541 WeakPolarHBondContact O-CA 3.4Å; L538-S541 WeakPolarHBondContact O-CB 3.47Å; L538-S541 PolarHBondContact O-N 2.83Å; L538-L542 HydrophobicContact CG-CD1 4.44Å; L538-L542 PolarHBondContact O-N 3.24Å |
| 539 | L | 95.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.1 | -49.4 | 175.2 | -72.3 | 178 | 0 | 0 | 0 | 112.2 | L532 I533 D535 V536 S541 L542 V543 L564 I606 L607 E610 | L532-L539 HydrophobicContact CD2-CD2 3.41Å; L532-L539 VanDerWaalsContact CD2-CD2 3.41Å; L532-L539 HydrophobicContact CD2-CG 4.24Å; I533-L539 HydrophobicContact CD1-CD1 3.91Å; I533-L539 HydrophobicContact CD1-CD2 4.23Å; I533-L539 HydrophobicContact CG1-CD1 4.34Å; I533-L539 WeakPolarHBondContact O-CD1 3.04Å; D535-L539 PolarHBondContact O-N 3.15Å; V536-L539 PolarHBondContact O-N 3.02Å; L539-S541 PolarHBondContact O-N 3.49Å; L539-L542 WeakPolarHBondContact O-CB 3.49Å; L539-L542 PolarHBondContact O-N 3.02Å; L539-L542 VanDerWaalsContact O-N 3.12Å; L539-V543 WeakPolarHBondContact O-CG2 3.45Å; L539-V543 PolarHBondContact O-N 2.92Å; L539-L564 HydrophobicContact CD2-CD1 4.42Å; L539-I606 HydrophobicContact CD1-CG2 3.82Å; L539-L607 HydrophobicContact CD2-CD1 4.31Å; L539-E610 HydrophobicContact CB-CB 4.46Å; L539-E610 HydrophobicContact CD1-CB 4.46Å; L539-E610 HydrophobicContact CD1-CG 4.36Å |
| 540 | R | 94.6 | Very high | 94.2 | Very high | 144 Ų | 144 | 40.9 Ų | 40.9 | 54% | 0.543 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.3 | -32.8 | 176 | -71.5 | 177.5 | -173.6 | 169.7 | 7.9 | 112.8 | V536 L538 S544 E610 | V536-R540 WeakPolarHBondContact O-CG 3.49Å; V536-R540 PolarHBondContact O-N 3.27Å; L538-R540 PolarHBondContact O-N 2.82Å; R540-S544 VanDerWaalsContact O-CB 3.32Å; R540-S544 WeakPolarHBondContact O-CB 3.3Å; R540-S544 PolarHBondContact O-N 3.09Å; R540-E610 IonicContact CZ-OE2 2.71Å; R540-E610 VanDerWaalsContact CZ-OE2 3.29Å; R540-E610 IonicContact NE-OE2 3.38Å; R540-E610 PolarHBondContact NE-OE2 3.31Å; R540-E610 IonicContact NH2-OE1 2.73Å; R540-E610 PolarHBondContact NH2-OE1 3.24Å; R540-E610 IonicContact NH2-OE2 2.69Å; R540-E610 PolarHBondContact NH2-OE2 2.83Å |
| 541 | S | 94.7 | Very high | 93.8 | Very high | 37 Ų | 37 | 42.9 Ų | 42.9 | 26% | 0.259 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.7 | -38.3 | 176.2 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | K537 L538 L539 S544 L545 | K537-S541 PolarHBondContact O-N 3.46Å; K537-S541 VanDerWaalsContact O-N 3.08Å; K537-S541 PolarHBondContact O-OG 3.29Å; L538-S541 WeakPolarHBondContact O-CA 3.4Å; L538-S541 WeakPolarHBondContact O-CB 3.47Å; L538-S541 PolarHBondContact O-N 2.83Å; L539-S541 PolarHBondContact O-N 3.49Å; S541-S544 PolarHBondContact O-N 2.87Å; S541-L545 WeakPolarHBondContact O-CB 3.48Å; S541-L545 PolarHBondContact O-N 2.8Å |
| 542 | L | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 172.9 | -71.3 | 166.1 | 0 | 0 | 0 | 111.9 | M503 A516 L519 L532 L538 L539 L545 A546 V557 I560 | M503-L542 HydrophobicContact CE-CD2 3.55Å; M503-L542 HydrophobicContact CE-CG 4.08Å; A516-L542 HydrophobicContact CB-CD2 4.11Å; L519-L542 HydrophobicContact CD2-CD1 4.48Å; L532-L542 HydrophobicContact CD1-CD1 4.49Å; L532-L542 HydrophobicContact CD2-CD1 4.15Å; L538-L542 HydrophobicContact CG-CD1 4.44Å; L538-L542 PolarHBondContact O-N 3.24Å; L539-L542 WeakPolarHBondContact O-CB 3.49Å; L539-L542 PolarHBondContact O-N 3.02Å; L539-L542 VanDerWaalsContact O-N 3.12Å; L542-L545 WeakPolarHBondContact O-CB 3.5Å; L542-L545 PolarHBondContact O-N 2.57Å; L542-A546 PolarHBondContact O-N 3.09Å; L542-V557 HydrophobicContact CD2-CG2 4.46Å; L542-I560 HydrophobicContact CD1-CD1 4.26Å; L542-I560 HydrophobicContact CD1-CG2 4.42Å; L542-I560 HydrophobicContact CD2-CD1 3.86Å |
| 543 | V | 95.6 | Very high | 93.2 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 12% | 0.115 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.6 | -43 | 175.2 | 173.9 | 0 | 0 | 0 | 0 | 111 | L539 L545 A546 V547 F561 A615 | L539-V543 WeakPolarHBondContact O-CG2 3.45Å; L539-V543 PolarHBondContact O-N 2.92Å; V543-L545 VanDerWaalsContact C-N 3.31Å; V543-L545 PolarHBondContact O-N 2.97Å; V543-A546 WeakPolarHBondContact O-CB 3.33Å; V543-A546 PolarHBondContact O-N 3.46Å; V543-V547 WeakPolarHBondContact O-CG2 3.38Å; V543-V547 PolarHBondContact O-N 3.47Å; V543-F561 HydrophobicContact CG2-CZ 4.33Å; V543-A615 HydrophobicContact CB-CB 4.42Å; V543-A615 HydrophobicContact CG1-CB 4.23Å; V543-A615 HydrophobicContact CG2-CB 4.12Å |
| 544 | S | 94.4 | Very high | 92.9 | Very high | 22 Ų | 22 | 45 Ų | 45 | 15% | 0.154 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 173.3 | -162 | 0 | 0 | 0 | 0 | 111.1 | K505 R540 S541 A546 V547 E548 | K505-S544 WeakPolarHBondContact CE-OG 3.47Å; K505-S544 PolarHBondContact NZ-OG 2.81Å; R540-S544 VanDerWaalsContact O-CB 3.32Å; R540-S544 WeakPolarHBondContact O-CB 3.3Å; R540-S544 PolarHBondContact O-N 3.09Å; S541-S544 PolarHBondContact O-N 2.87Å; S544-A546 PolarHBondContact O-N 3.15Å; S544-V547 PolarHBondContact O-N 3.01Å; S544-E548 WeakPolarHBondContact O-CB 3.35Å; S544-E548 VanDerWaalsContact O-CG 3.28Å; S544-E548 WeakPolarHBondContact O-CG 3.44Å; S544-E548 PolarHBondContact O-N 3.02Å; S544-E548 PolarHBondContact OG-OE1 3.08Å |
| 545 | L | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 175.8 | 179.5 | 63.6 | 0 | 0 | 0 | 111.5 | M503 R512 A516 S541 L542 V543 V547 E548 A549 C553 V557 | M503-L545 HydrophobicContact CE-CB 4.41Å; M503-L545 HydrophobicContact CE-CD2 3.83Å; M503-L545 HydrophobicContact SD-CD2 4.45Å; R512-L545 HydrophobicContact CB-CD1 3.72Å; R512-L545 HydrophobicContact CB-CD2 4.19Å; A516-L545 HydrophobicContact CB-CD2 3.88Å; S541-L545 WeakPolarHBondContact O-CB 3.48Å; S541-L545 PolarHBondContact O-N 2.8Å; L542-L545 WeakPolarHBondContact O-CB 3.5Å; L542-L545 PolarHBondContact O-N 2.57Å; V543-L545 VanDerWaalsContact C-N 3.31Å; V543-L545 PolarHBondContact O-N 2.97Å; L545-V547 VanDerWaalsContact C-N 3.31Å; L545-V547 PolarHBondContact O-N 3.18Å; L545-E548 PolarHBondContact O-N 3.32Å; L545-A549 HydrophobicContact CD1-CB 4.02Å; L545-A549 VanDerWaalsContact O-CB 3.23Å; L545-A549 WeakPolarHBondContact O-CB 3.32Å; L545-A549 PolarHBondContact O-N 2.96Å; L545-C553 HydrophobicContact CD2-CB 4.35Å; L545-C553 HydrophobicContact CG-CB 4.21Å; L545-V557 HydrophobicContact CD2-CG2 4.35Å |
| 546 | A | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.2 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L542 V543 S544 G550 C553 V557 A615 A618 M619 | L542-A546 PolarHBondContact O-N 3.09Å; V543-A546 WeakPolarHBondContact O-CB 3.33Å; V543-A546 PolarHBondContact O-N 3.46Å; S544-A546 PolarHBondContact O-N 3.15Å; A546-G550 VanDerWaalsContact O-CA 3.25Å; A546-G550 WeakPolarHBondContact O-CA 3.48Å; A546-G550 PolarHBondContact O-N 3.41Å; A546-C553 VanDerWaalsContact CA-SG 3.58Å; A546-V557 HydrophobicContact CB-CG1 4.41Å; A546-A615 HydrophobicContact CB-CB 3.61Å; A546-A618 VanDerWaalsContact O-CB 3.3Å; A546-A618 WeakPolarHBondContact O-CB 3.43Å; A546-M619 HydrophobicContact CB-CE 4.4Å; A546-M619 HydrophobicContact CB-CG 3.99Å; A546-M619 HydrophobicContact CB-SD 4.09Å |
| 547 | V | 94 | Very high | 92.5 | Very high | 93 Ų | 93 | 41.5 Ų | 41.5 | 56% | 0.564 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -68.8 | -38.2 | 177.4 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | V543 S544 L545 A618 | V543-V547 WeakPolarHBondContact O-CG2 3.38Å; V543-V547 PolarHBondContact O-N 3.47Å; S544-V547 PolarHBondContact O-N 3.01Å; L545-V547 VanDerWaalsContact C-N 3.31Å; L545-V547 PolarHBondContact O-N 3.18Å; V547-A618 HydrophobicContact CG2-CB 4.17Å |
| 548 | E | 92.6 | Very high | 92.6 | Very high | 82 Ų | 82 | 33.6 Ų | 33.6 | 38% | 0.383 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -79.7 | -41.7 | -177.8 | -70.7 | 168 | -140.3 | 0 | 0 | 113.1 | L509 R512 S544 L545 | L509-E548 HydrophobicContact CD1-CB 4.24Å; R512-E548 IonicContact CZ-OE2 2.68Å; R512-E548 IonicContact NH1-OE1 3.01Å; R512-E548 IonicContact NH1-OE2 2.71Å; R512-E548 PolarHBondContact NH1-OE2 3.28Å; R512-E548 IonicContact NH2-OE2 2.76Å; R512-E548 PolarHBondContact NH2-OE2 3.01Å; S544-E548 WeakPolarHBondContact O-CB 3.35Å; S544-E548 VanDerWaalsContact O-CG 3.28Å; S544-E548 WeakPolarHBondContact O-CG 3.44Å; S544-E548 PolarHBondContact O-N 3.02Å; S544-E548 PolarHBondContact OG-OE1 3.08Å; L545-E548 PolarHBondContact O-N 3.32Å |
| 549 | A | 90.1 | Very high | 92.6 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -95.5 | -22.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L509 L545 L552 C553 | L509-A549 HydrophobicContact CD1-CB 3.99Å; L509-A549 HydrophobicContact CD2-CB 3.73Å; L509-A549 HydrophobicContact CG-CB 3.99Å; L545-A549 HydrophobicContact CD1-CB 4.02Å; L545-A549 VanDerWaalsContact O-CB 3.23Å; L545-A549 WeakPolarHBondContact O-CB 3.32Å; L545-A549 PolarHBondContact O-N 2.96Å; A549-L552 HydrophobicContact CB-CB 4.32Å; A549-L552 WeakPolarHBondContact O-CB 3.39Å; A549-L552 PolarHBondContact O-N 2.91Å; A549-L552 VanDerWaalsContact O-N 3.15Å; A549-C553 HydrophobicContact CB-CB 3.93Å |
| 550 | G | 89.2 | Confident | 92.6 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 9% | 0.093 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | 51.9 | -124.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A546 L552 C553 A618 | A546-G550 VanDerWaalsContact O-CA 3.25Å; A546-G550 WeakPolarHBondContact O-CA 3.48Å; A546-G550 PolarHBondContact O-N 3.41Å; G550-L552 PolarHBondContact O-N 3.1Å; G550-L552 VanDerWaalsContact O-N 3.13Å; G550-C553 PolarHBondContact O-N 3.45Å; G550-C553 PolarHBondContact O-SG 3.12Å; G550-A618 WeakPolarHBondContact CA-O 3.4Å |
| 551 | P | 85 | Confident | 92.8 | Very high | 60 Ų | 60 | 27.7 Ų | 27.7 | 39% | 0.39 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -59.1 | -23.3 | -178.4 | -25.3 | 35.3 | 0 | 0 | 0 | 115.6 | C553 V554 D621 | P551-C553 VanDerWaalsContact C-N 3.26Å; P551-C553 PolarHBondContact O-N 2.95Å; P551-V554 WeakPolarHBondContact O-CB 3.41Å; P551-V554 PolarHBondContact O-N 3.45Å; P551-D621 HydrophobicContact CG-CB 4.3Å; P551-D621 WeakPolarHBondContact CG-O 3.32Å |
| 552 | L | 85.2 | Confident | 92.9 | Very high | 105 Ų | 105 | 26.6 Ų | 26.6 | 55% | 0.55 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -66.3 | -27.6 | -177.8 | -65 | 173.6 | 0 | 0 | 0 | 113 | L509 A549 G550 | L509-L552 HydrophobicContact CD2-CD1 4.03Å; A549-L552 HydrophobicContact CB-CB 4.32Å; A549-L552 WeakPolarHBondContact O-CB 3.39Å; A549-L552 PolarHBondContact O-N 2.91Å; A549-L552 VanDerWaalsContact O-N 3.15Å; G550-L552 PolarHBondContact O-N 3.1Å; G550-L552 VanDerWaalsContact O-N 3.13Å |
| 553 | C | 90.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -105.2 | 3.1 | -178.2 | 75.3 | 0 | 0 | 0 | 0 | 113.8 | L545 A546 A549 G550 P551 F555 G556 V557 | L545-C553 HydrophobicContact CD2-CB 4.35Å; L545-C553 HydrophobicContact CG-CB 4.21Å; A546-C553 VanDerWaalsContact CA-SG 3.58Å; A549-C553 HydrophobicContact CB-CB 3.93Å; G550-C553 PolarHBondContact O-N 3.45Å; G550-C553 PolarHBondContact O-SG 3.12Å; P551-C553 VanDerWaalsContact C-N 3.26Å; P551-C553 PolarHBondContact O-N 2.95Å; C553-F555 VanDerWaalsContact C-N 3.28Å; C553-F555 PolarHBondContact O-N 3.35Å; C553-G556 PolarHBondContact O-N 3.11Å; C553-V557 HydrophobicContact CB-CG2 4.11Å; C553-V557 PolarHBondContact O-N 3.47Å |
| 554 | V | 90.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.024 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -48.2 | -49.6 | -175.7 | 141.3 | 0 | 0 | 0 | 0 | 111.8 | P551 S558 M619 T622 S627 | P551-V554 WeakPolarHBondContact O-CB 3.41Å; P551-V554 PolarHBondContact O-N 3.45Å; V554-S558 WeakPolarHBondContact O-CA 2.89Å; V554-S558 WeakPolarHBondContact O-CB 3.47Å; V554-S558 PolarHBondContact O-N 3.16Å; V554-S558 PolarHBondContact O-OG 3.28Å; V554-M619 HydrophobicContact CG2-CB 3.54Å; V554-M619 HydrophobicContact CG2-CG 3.97Å; V554-M619 WeakPolarHBondContact CG2-O 3.48Å; V554-M619 HydrophobicContact CG2-SD 4.25Å; V554-T622 HydrophobicContact CG2-CG2 4.47Å; V554-S627 WeakPolarHBondContact CG1-OG 2.95Å |
| 555 | F | 88.1 | Confident | 92.9 | Very high | 105 Ų | 105 | 25.6 Ų | 25.6 | 46% | 0.461 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.8 | -51.1 | -175.8 | 175.8 | -101.7 | 0 | 0 | 0 | 111.4 | E517 C553 S559 | E517-F555 HydrophobicContact CG-CD1 4.03Å; E517-F555 HydrophobicContact CG-CE1 3.92Å; C553-F555 VanDerWaalsContact C-N 3.28Å; C553-F555 PolarHBondContact O-N 3.35Å; F555-S559 WeakPolarHBondContact O-CB 3.25Å; F555-S559 PolarHBondContact O-N 3.43Å; F555-S559 PolarHBondContact O-OG 3.08Å |
| 556 | G | 91.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -56.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A520 C553 S559 I560 | A520-G556 WeakPolarHBondContact CB-O 3.46Å; C553-G556 PolarHBondContact O-N 3.11Å; G556-S559 PolarHBondContact O-N 2.78Å; G556-I560 WeakPolarHBondContact O-CG1 3.45Å; G556-I560 PolarHBondContact O-N 2.88Å; G556-I560 VanDerWaalsContact O-N 3.09Å |
| 557 | V | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71.2 | -42.2 | -174.3 | -178 | 0 | 0 | 0 | 0 | 112 | A516 L542 L545 A546 C553 S559 I560 F561 M619 | A516-V557 HydrophobicContact CB-CG2 4.45Å; L542-V557 HydrophobicContact CD2-CG2 4.46Å; L545-V557 HydrophobicContact CD2-CG2 4.35Å; A546-V557 HydrophobicContact CB-CG1 4.41Å; C553-V557 HydrophobicContact CB-CG2 4.11Å; C553-V557 PolarHBondContact O-N 3.47Å; V557-S559 VanDerWaalsContact C-N 3.33Å; V557-S559 PolarHBondContact O-N 3.18Å; V557-I560 PolarHBondContact O-N 2.93Å; V557-F561 HydrophobicContact CG1-CD1 4.34Å; V557-F561 HydrophobicContact CG1-CD2 4.49Å; V557-F561 HydrophobicContact CG1-CE1 3.91Å; V557-F561 HydrophobicContact CG1-CE2 4.1Å; V557-F561 HydrophobicContact CG1-CZ 3.79Å; V557-F561 WeakPolarHBondContact O-CD1 3.28Å; V557-F561 WeakPolarHBondContact O-CG 3.38Å; V557-F561 PolarHBondContact O-N 3.11Å; V557-M619 HydrophobicContact CB-CE 4.11Å; V557-M619 HydrophobicContact CB-SD 3.68Å; V557-M619 HydrophobicContact CG1-CE 3.8Å; V557-M619 HydrophobicContact CG1-SD 3.97Å; V557-M619 HydrophobicContact CG2-SD 4.49Å |
| 558 | S | 95.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.2 | -36.9 | 177.7 | 73.6 | 0 | 0 | 0 | 0 | 111.7 | V554 F561 V562 | V554-S558 WeakPolarHBondContact O-CA 2.89Å; V554-S558 WeakPolarHBondContact O-CB 3.47Å; V554-S558 PolarHBondContact O-N 3.16Å; V554-S558 PolarHBondContact O-OG 3.28Å; S558-F561 PolarHBondContact O-N 2.9Å; S558-V562 WeakPolarHBondContact O-CB 3.45Å; S558-V562 VanDerWaalsContact O-CG2 3.3Å; S558-V562 WeakPolarHBondContact O-CG2 3.43Å; S558-V562 PolarHBondContact O-N 3.09Å |
| 559 | S | 94.4 | Very high | 91.4 | Very high | 25 Ų | 25 | 25.7 Ų | 25.7 | 18% | 0.175 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 176 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | F555 G556 V557 F561 V562 N563 | F555-S559 WeakPolarHBondContact O-CB 3.25Å; F555-S559 PolarHBondContact O-N 3.43Å; F555-S559 PolarHBondContact O-OG 3.08Å; G556-S559 PolarHBondContact O-N 2.78Å; V557-S559 VanDerWaalsContact C-N 3.33Å; V557-S559 PolarHBondContact O-N 3.18Å; S559-F561 VanDerWaalsContact C-N 3.31Å; S559-F561 PolarHBondContact O-N 3.2Å; S559-V562 PolarHBondContact O-N 3.45Å; S559-N563 WeakPolarHBondContact O-CB 3.38Å; S559-N563 PolarHBondContact O-N 3.33Å; S559-N563 PolarHBondContact O-ND2 3.01Å |
| 560 | I | 97.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.1 | -49.1 | 171.6 | -68 | 165.4 | 0 | 0 | 0 | 109.8 | L519 A520 T523 L532 L542 G556 V557 N563 L564 | L519-I560 HydrophobicContact CB-CD1 4.16Å; L519-I560 HydrophobicContact CD2-CD1 4.12Å; L519-I560 HydrophobicContact CG-CD1 4.13Å; A520-I560 HydrophobicContact CB-CG1 3.86Å; T523-I560 HydrophobicContact CG2-CG1 4.37Å; T523-I560 HydrophobicContact CG2-CG2 4.26Å; L532-I560 HydrophobicContact CD1-CG2 3.78Å; L542-I560 HydrophobicContact CD1-CD1 4.26Å; L542-I560 HydrophobicContact CD1-CG2 4.42Å; L542-I560 HydrophobicContact CD2-CD1 3.86Å; G556-I560 WeakPolarHBondContact O-CG1 3.45Å; G556-I560 PolarHBondContact O-N 2.88Å; G556-I560 VanDerWaalsContact O-N 3.09Å; V557-I560 PolarHBondContact O-N 2.93Å; I560-N563 PolarHBondContact O-N 2.76Å; I560-L564 HydrophobicContact CG2-CD1 3.74Å; I560-L564 HydrophobicContact CG2-CG 4.11Å; I560-L564 WeakPolarHBondContact O-CB 3.39Å; I560-L564 VanDerWaalsContact O-CG 3.28Å; I560-L564 WeakPolarHBondContact O-CG 3.31Å; I560-L564 PolarHBondContact O-N 3.3Å |
| 561 | F | 97.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.5 | -39.6 | -176.1 | -71.9 | 8.5 | 0 | 0 | 0 | 112.7 | V543 V557 S558 S559 N563 L564 T565 L607 A615 I634 | V543-F561 HydrophobicContact CG2-CZ 4.33Å; V557-F561 HydrophobicContact CG1-CD1 4.34Å; V557-F561 HydrophobicContact CG1-CD2 4.49Å; V557-F561 HydrophobicContact CG1-CE1 3.91Å; V557-F561 HydrophobicContact CG1-CE2 4.1Å; V557-F561 HydrophobicContact CG1-CZ 3.79Å; V557-F561 WeakPolarHBondContact O-CD1 3.28Å; V557-F561 WeakPolarHBondContact O-CG 3.38Å; V557-F561 PolarHBondContact O-N 3.11Å; S558-F561 PolarHBondContact O-N 2.9Å; S559-F561 VanDerWaalsContact C-N 3.31Å; S559-F561 PolarHBondContact O-N 3.2Å; F561-N563 VanDerWaalsContact C-N 3.28Å; F561-N563 PolarHBondContact O-N 3.01Å; F561-L564 HydrophobicContact CD1-CD1 4.38Å; F561-L564 PolarHBondContact O-N 3.08Å; F561-T565 WeakPolarHBondContact O-CB 3.33Å; F561-T565 VanDerWaalsContact O-CG2 3.23Å; F561-T565 WeakPolarHBondContact O-CG2 3.41Å; F561-T565 PolarHBondContact O-N 3.42Å; F561-T565 PolarHBondContact O-OG1 2.75Å; F561-L607 HydrophobicContact CB-CD2 4.23Å; F561-L607 HydrophobicContact CD1-CD1 4Å; F561-L607 HydrophobicContact CD1-CD2 4.09Å; F561-L607 HydrophobicContact CD2-CD2 4.42Å; F561-L607 HydrophobicContact CE1-CD1 3.69Å; F561-L607 HydrophobicContact CE2-CD1 4.21Å; F561-L607 HydrophobicContact CG-CD1 4.42Å; F561-L607 HydrophobicContact CG-CD2 4Å; F561-L607 HydrophobicContact CZ-CD1 3.81Å; F561-A615 HydrophobicContact CE2-CB 3.75Å; F561-A615 HydrophobicContact CZ-CB 4.14Å; F561-I634 HydrophobicContact CB-CD1 3.59Å; F561-I634 HydrophobicContact CB-CG1 3.78Å; F561-I634 HydrophobicContact CB-CG2 4.09Å; F561-I634 HydrophobicContact CD2-CD1 4.38Å; F561-I634 HydrophobicContact CD2-CG2 4.28Å; F561-I634 HydrophobicContact CG-CD1 4.49Å |
| 562 | V | 96.4 | Very high | 88.6 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -42 | 172.8 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | S558 S559 T565 N566 T567 Y568 R633 I634 | S558-V562 WeakPolarHBondContact O-CB 3.45Å; S558-V562 VanDerWaalsContact O-CG2 3.3Å; S558-V562 WeakPolarHBondContact O-CG2 3.43Å; S558-V562 PolarHBondContact O-N 3.09Å; S559-V562 PolarHBondContact O-N 3.45Å; V562-T565 PolarHBondContact O-OG1 3.16Å; V562-N566 WeakPolarHBondContact O-CA 3.18Å; V562-N566 PolarHBondContact O-N 3Å; V562-T567 PolarHBondContact O-N 3.36Å; V562-Y568 HydrophobicContact CG1-CD1 4.13Å; V562-R633 HydrophobicContact CG2-CB 4.42Å; V562-I634 HydrophobicContact CG2-CD1 4.02Å; V562-I634 HydrophobicContact CG2-CG1 3.64Å |
| 563 | N | 94.4 | Very high | 87.8 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.07 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.1 | -42.4 | 176.6 | -71.1 | -20.1 | 0 | 0 | 0 | 112.4 | A520 T523 K529 S559 I560 F561 T565 N566 R603 | A520-N563 PolarHBondContact O-ND2 2.99Å; T523-N563 WeakPolarHBondContact O-CB 3.1Å; T523-N563 PolarHBondContact OG1-ND2 3.45Å; K529-N563 WeakPolarHBondContact CD-O 3.49Å; S559-N563 WeakPolarHBondContact O-CB 3.38Å; S559-N563 PolarHBondContact O-N 3.33Å; S559-N563 PolarHBondContact O-ND2 3.01Å; I560-N563 PolarHBondContact O-N 2.76Å; F561-N563 VanDerWaalsContact C-N 3.28Å; F561-N563 PolarHBondContact O-N 3.01Å; N563-T565 VanDerWaalsContact C-N 3.29Å; N563-T565 PolarHBondContact O-N 3.45Å; N563-N566 PolarHBondContact O-N 3.11Å; N563-N566 PolarHBondContact O-OD1 3.28Å; N563-R603 PolarHBondContact O-NH1 3.24Å |
| 564 | L | 96.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -32.7 | 177.9 | -71.3 | 175.7 | 0 | 0 | 0 | 112.5 | K529 L532 I533 L539 I560 F561 R603 L607 | K529-L564 HydrophobicContact CB-CD2 3.87Å; K529-L564 HydrophobicContact CG-CD2 4.21Å; L532-L564 HydrophobicContact CD2-CD1 3.95Å; I533-L564 HydrophobicContact CD1-CD1 4.2Å; L539-L564 HydrophobicContact CD2-CD1 4.42Å; I560-L564 HydrophobicContact CG2-CD1 3.74Å; I560-L564 HydrophobicContact CG2-CG 4.11Å; I560-L564 WeakPolarHBondContact O-CB 3.39Å; I560-L564 VanDerWaalsContact O-CG 3.28Å; I560-L564 WeakPolarHBondContact O-CG 3.31Å; I560-L564 PolarHBondContact O-N 3.3Å; F561-L564 HydrophobicContact CD1-CD1 4.38Å; F561-L564 PolarHBondContact O-N 3.08Å; L564-R603 PolarHBondContact O-NH1 2.99Å; L564-L607 HydrophobicContact CB-CD2 4.27Å; L564-L607 HydrophobicContact CD1-CD2 4.23Å |
| 565 | T | 95.2 | Very high | 86.5 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.043 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -92.1 | -7.1 | -179.6 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | F561 V562 N563 T567 V600 V604 L607 F638 | F561-T565 WeakPolarHBondContact O-CB 3.33Å; F561-T565 VanDerWaalsContact O-CG2 3.23Å; F561-T565 WeakPolarHBondContact O-CG2 3.41Å; F561-T565 PolarHBondContact O-N 3.42Å; F561-T565 PolarHBondContact O-OG1 2.75Å; V562-T565 PolarHBondContact O-OG1 3.16Å; N563-T565 VanDerWaalsContact C-N 3.29Å; N563-T565 PolarHBondContact O-N 3.45Å; T565-T567 PolarHBondContact O-N 3.43Å; T565-T567 VanDerWaalsContact OG1-CG2 3.31Å; T565-T567 WeakPolarHBondContact OG1-CG2 3.5Å; T565-T567 PolarHBondContact OG1-OG1 2.7Å; T565-V600 WeakPolarHBondContact O-CG1 3.3Å; T565-V604 HydrophobicContact CG2-CG2 4.04Å; T565-L607 HydrophobicContact CG2-CD2 4Å; T565-F638 HydrophobicContact CG2-CD1 4.22Å; T565-F638 HydrophobicContact CG2-CE1 3.79Å |
| 566 | N | 93.3 | Very high | 86.2 | Confident | 16 Ų | 16 | 58.4 Ų | 58.4 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 33.1 | -172 | -75.9 | -6.6 | 0 | 0 | 0 | 114.4 | K529 V562 N563 Y568 D595 V600 | K529-N566 PolarHBondContact NZ-OD1 2.91Å; V562-N566 WeakPolarHBondContact O-CA 3.18Å; V562-N566 PolarHBondContact O-N 3Å; N563-N566 PolarHBondContact O-N 3.11Å; N563-N566 PolarHBondContact O-OD1 3.28Å; N566-Y568 VanDerWaalsContact C-N 3.28Å; N566-Y568 HydrophobicContact CB-CE1 4.11Å; N566-Y568 PolarHBondContact O-N 3.28Å; N566-Y568 WeakPolarHBondContact OD1-CE1 3.37Å; N566-Y568 PolarHBondContact OD1-OH 2.85Å; N566-D595 PolarHBondContact ND2-OD1 3Å; N566-D595 PolarHBondContact OD1-OD1 3.45Å; N566-V600 HydrophobicContact CB-CG1 4.32Å; N566-V600 HydrophobicContact CB-CG2 4.22Å; N566-V600 VanDerWaalsContact ND2-CG2 3.33Å; N566-V600 WeakPolarHBondContact ND2-CG2 2.99Å |
| 567 | T | 90.2 | Very high | 85.5 | Confident | 21 Ų | 21 | 63 Ų | 63 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | trans | -88.8 | 16.4 | -174.3 | 50.6 | 0 | 0 | 0 | 0 | 114.9 | V562 T565 R633 G637 | V562-T567 PolarHBondContact O-N 3.36Å; T565-T567 PolarHBondContact O-N 3.43Å; T565-T567 VanDerWaalsContact OG1-CG2 3.31Å; T565-T567 WeakPolarHBondContact OG1-CG2 3.5Å; T565-T567 PolarHBondContact OG1-OG1 2.7Å; T567-R633 WeakPolarHBondContact CB-O 3.46Å; T567-R633 WeakPolarHBondContact CG2-O 3.35Å; T567-R633 WeakPolarHBondContact O-CD 3.29Å; T567-R633 WeakPolarHBondContact O-CG 3.32Å; T567-R633 PolarHBondContact O-NH1 2.96Å; T567-R633 VanDerWaalsContact O-NH1 3.11Å; T567-G637 VanDerWaalsContact CG2-CA 3.43Å | ||
| 568 | Y | 84.2 | Confident | 84.7 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 11% | 0.106 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -81.8 | 165.9 | 173.3 | 45.9 | -106.3 | 0 | 0 | 0 | 111.5 | R480 V562 N566 Q570 | R480-Y568 VanDerWaalsContact NH2-CD2 3.34Å; V562-Y568 HydrophobicContact CG1-CD1 4.13Å; N566-Y568 VanDerWaalsContact C-N 3.28Å; N566-Y568 HydrophobicContact CB-CE1 4.11Å; N566-Y568 PolarHBondContact O-N 3.28Å; N566-Y568 WeakPolarHBondContact OD1-CE1 3.37Å; N566-Y568 PolarHBondContact OD1-OH 2.85Å; Y568-Q570 HydrophobicContact CD2-CG 3.91Å; Y568-Q570 HydrophobicContact CE2-CG 3.7Å; Y568-Q570 PolarHBondContact O-N 2.72Å; Y568-Q570 VanDerWaalsContact O-N 3.09Å |
| 569 | D | 77.7 | Confident | 84 | Confident | 114 Ų | 114 | 70.8 Ų | 70.8 | 61% | 0.61 | 35% | 0.345 | S | S | * | . | trans | -66.8 | 113.3 | 176.9 | -61.5 | -28.5 | 0 | 0 | 0 | 110.7 | R633 | D569-R633 VanDerWaalsContact CG-NH2 3.31Å; D569-R633 IonicContact OD1-CZ 2.9Å; D569-R633 IonicContact OD1-NH1 2.89Å; D569-R633 PolarHBondContact OD1-NH1 2.89Å; D569-R633 IonicContact OD1-NH2 3Å; D569-R633 PolarHBondContact OD1-NH2 3.21Å; D569-R633 IonicContact OD2-CZ 2.74Å; D569-R633 IonicContact OD2-NH2 2.86Å; D569-R633 PolarHBondContact OD2-NH2 3.44Å; D569-R633 VanDerWaalsContact OD2-NH2 3.15Å | ||
| 570 | Q | 70.9 | Confident | 83.4 | Confident | 103 Ų | 103 | 74.7 Ų | 74.7 | 48% | 0.481 | 36% | 0.363 | S | S | . | . | trans | -93.8 | 108 | 171.8 | -68.3 | -177.9 | -13.1 | 0 | 0 | 108.1 | Y568 K572 | Y568-Q570 HydrophobicContact CD2-CG 3.91Å; Y568-Q570 HydrophobicContact CE2-CG 3.7Å; Y568-Q570 PolarHBondContact O-N 2.72Å; Y568-Q570 VanDerWaalsContact O-N 3.09Å; Q570-K572 PolarHBondContact O-N 3.05Å | ||
| 571 | R | 67.6 | Low | 82.5 | Confident | 235 Ų | 235 | 76 Ų | 76 | 89% | 0.887 | 37% | 0.374 | S | S | * | . | trans | -68.8 | 105.2 | 171.8 | -67.8 | -176.7 | -178.7 | -172.8 | -0.8 | 107.8 | V573 | R571-V573 PolarHBondContact O-N 2.92Å; R571-V573 VanDerWaalsContact O-N 3.09Å | ||
| 572 | K | 67.7 | Low | 81.7 | Confident | 198 Ų | 198 | 83.8 Ų | 83.8 | 86% | 0.861 | 40% | 0.403 | S | S | * | . | trans | -66.2 | 106.7 | 166.9 | -68.2 | -176 | 179.9 | -179.2 | 0 | 107 | Q570 | Q570-K572 PolarHBondContact O-N 3.05Š| ||
| 573 | V | 69.2 | Low | 81.1 | Confident | 88 Ų | 88 | 93 Ų | 93 | 53% | 0.533 | 44% | 0.438 | S | S | . | . | trans | -83.9 | 123.9 | 175.8 | -174.6 | 0 | 0 | 0 | 0 | 106.9 | R571 L577 V578 | R571-V573 PolarHBondContact O-N 2.92Å; R571-V573 VanDerWaalsContact O-N 3.09Å; V573-L577 HydrophobicContact CG1-CB 3.85Å; V573-L577 HydrophobicContact CG1-CD1 4.45Å; V573-V578 HydrophobicContact CB-CG2 4.07Å; V573-V578 HydrophobicContact CG1-CG2 3.73Å | ||
| 574 | E | 75.3 | Confident | 80.6 | Confident | 125 Ų | 125 | 95.5 Ų | 95.5 | 58% | 0.584 | 46% | 0.461 | S | S | * | . | trans | -53 | 134.5 | 176.8 | -70.3 | -61.5 | 156.4 | 0 | 0 | 110.3 | E576 L577 V578 | E574-E576 PolarHBondContact O-N 3.11Å; E574-E576 VanDerWaalsContact O-N 3.08Å; E574-L577 HydrophobicContact CB-CD1 4.15Å; E574-L577 HydrophobicContact CB-CG 4.2Å; E574-L577 WeakPolarHBondContact O-CB 3.31Å; E574-L577 PolarHBondContact O-N 3.45Å; E574-V578 PolarHBondContact O-N 3.1Å | ||
| 575 | P | 77.3 | Confident | 79.9 | Confident | 85 Ų | 85 | 104.9 Ų | 104.9 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -53.8 | -33.6 | -177.6 | -26.7 | 33.9 | 0 | 0 | 0 | 113.3 | V578 Q579 | P575-V578 WeakPolarHBondContact O-CB 3.37Å; P575-V578 PolarHBondContact O-N 3.17Å; P575-Q579 WeakPolarHBondContact O-CG 3.4Å; P575-Q579 PolarHBondContact O-N 3.36Å |
| 576 | E | 81.8 | Confident | 78.9 | Confident | 149 Ų | 149 | 111.2 Ų | 111.2 | 70% | 0.696 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.6 | -40.8 | 176.3 | -61.4 | -176.3 | 174.4 | 0 | 0 | 112.4 | E574 V578 Q579 L580 | E574-E576 PolarHBondContact O-N 3.11Å; E574-E576 VanDerWaalsContact O-N 3.08Å; E576-V578 VanDerWaalsContact C-N 3.3Å; E576-V578 PolarHBondContact O-N 3.27Å; E576-Q579 PolarHBondContact O-N 3.25Å; E576-L580 WeakPolarHBondContact O-CG 3.3Å; E576-L580 PolarHBondContact O-N 3.08Å |
| 577 | L | 76.5 | Confident | 78 | Confident | 101 Ų | 101 | 115 Ų | 115 | 53% | 0.529 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66 | -35.2 | 175.5 | -68.5 | 174.9 | 0 | 0 | 0 | 111.3 | V573 E574 L580 A581 | V573-L577 HydrophobicContact CG1-CB 3.85Å; V573-L577 HydrophobicContact CG1-CD1 4.45Å; E574-L577 HydrophobicContact CB-CD1 4.15Å; E574-L577 HydrophobicContact CB-CG 4.2Å; E574-L577 WeakPolarHBondContact O-CB 3.31Å; E574-L577 PolarHBondContact O-N 3.45Å; L577-L580 HydrophobicContact CD2-CD1 4.37Å; L577-L580 PolarHBondContact O-N 3.38Å; L577-A581 WeakPolarHBondContact O-CB 3.28Å; L577-A581 PolarHBondContact O-N 2.94Å |
| 578 | V | 78.9 | Confident | 77 | Confident | 33 Ų | 33 | 115.5 Ų | 115.5 | 20% | 0.2 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 173.6 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | V573 E574 P575 E576 A581 R582 V588 | V573-V578 HydrophobicContact CB-CG2 4.07Å; V573-V578 HydrophobicContact CG1-CG2 3.73Å; E574-V578 PolarHBondContact O-N 3.1Å; P575-V578 WeakPolarHBondContact O-CB 3.37Å; P575-V578 PolarHBondContact O-N 3.17Å; E576-V578 VanDerWaalsContact C-N 3.3Å; E576-V578 PolarHBondContact O-N 3.27Å; V578-A581 PolarHBondContact O-N 2.74Å; V578-R582 WeakPolarHBondContact O-CG 3.45Å; V578-R582 PolarHBondContact O-N 3.18Å; V578-V588 HydrophobicContact CG1-CG1 3.78Å; V578-V588 HydrophobicContact CG1-CG2 4.33Å |
| 579 | Q | 81.3 | Confident | 76.5 | Confident | 133 Ų | 133 | 118.6 Ų | 118.6 | 62% | 0.621 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.8 | -42.2 | 176.3 | -70.2 | 178.8 | 12.4 | 0 | 0 | 111.9 | P575 E576 R582 Y583 | P575-Q579 WeakPolarHBondContact O-CG 3.4Å; P575-Q579 PolarHBondContact O-N 3.36Å; E576-Q579 PolarHBondContact O-N 3.25Å; Q579-R582 PolarHBondContact O-N 3.49Å; Q579-Y583 WeakPolarHBondContact O-CB 3.32Å; Q579-Y583 PolarHBondContact O-N 3.01Å |
| 580 | L | 81.8 | Confident | 76.3 | Confident | 107 Ų | 107 | 118.7 Ų | 118.7 | 56% | 0.56 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.4 | -42.8 | 174.8 | -73.5 | 170.1 | 0 | 0 | 0 | 112 | E576 L577 Y583 A584 | E576-L580 WeakPolarHBondContact O-CG 3.3Å; E576-L580 PolarHBondContact O-N 3.08Å; L577-L580 HydrophobicContact CD2-CD1 4.37Å; L577-L580 PolarHBondContact O-N 3.38Å; L580-Y583 PolarHBondContact O-N 3.04Å; L580-A584 VanDerWaalsContact O-CB 3.3Å; L580-A584 WeakPolarHBondContact O-CB 3.28Å; L580-A584 PolarHBondContact O-N 3.28Å |
| 581 | A | 78.8 | Confident | 76.5 | Confident | 26 Ų | 26 | 120.1 Ų | 120.1 | 22% | 0.215 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -60.6 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L577 V578 Y583 A584 K585 H586 V588 | L577-A581 WeakPolarHBondContact O-CB 3.28Å; L577-A581 PolarHBondContact O-N 2.94Å; V578-A581 PolarHBondContact O-N 2.74Å; A581-Y583 PolarHBondContact O-N 3.24Å; A581-A584 CarbonylContact O-C 3.45Å; A581-A584 PolarHBondContact O-N 3.5Å; A581-K585 PolarHBondContact O-N 3.24Å; A581-K585 VanDerWaalsContact O-N 3.12Å; A581-H586 HydrophobicContact CB-CB 4.18Å; A581-H586 PolarHBondContact O-N 3.41Å; A581-V588 HydrophobicContact CB-CG2 3.74Å |
| 582 | R | 79.8 | Confident | 77.2 | Confident | 165 Ų | 165 | 109.9 Ų | 109.9 | 62% | 0.623 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.1 | -43.2 | 174.8 | -71.4 | 177.7 | 178.7 | -179.4 | -0.8 | 112 | V578 Q579 K585 V588 | V578-R582 WeakPolarHBondContact O-CG 3.45Å; V578-R582 PolarHBondContact O-N 3.18Å; Q579-R582 PolarHBondContact O-N 3.49Å; R582-K585 PolarHBondContact O-N 3.36Å; R582-K585 VanDerWaalsContact O-N 3.15Å; R582-V588 HydrophobicContact CG-CG2 3.86Å |
| 583 | Y | 84.4 | Confident | 78 | Confident | 207 Ų | 207 | 105 Ų | 105 | 81% | 0.812 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | 176.8 | -178.5 | -95.5 | 0 | 0 | 0 | 112.3 | Q579 L580 A581 K585 | Q579-Y583 WeakPolarHBondContact O-CB 3.32Å; Q579-Y583 PolarHBondContact O-N 3.01Å; L580-Y583 PolarHBondContact O-N 3.04Å; A581-Y583 PolarHBondContact O-N 3.24Å; Y583-K585 PolarHBondContact O-N 2.91Å; Y583-K585 VanDerWaalsContact O-N 3.16Å |
| 584 | A | 84.9 | Confident | 78.9 | Confident | 66 Ų | 66 | 103.8 Ų | 103.8 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 2.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L580 A581 H586 | L580-A584 VanDerWaalsContact O-CB 3.3Å; L580-A584 WeakPolarHBondContact O-CB 3.28Å; L580-A584 PolarHBondContact O-N 3.28Å; A581-A584 CarbonylContact O-C 3.45Å; A581-A584 PolarHBondContact O-N 3.5Å; A584-H586 PolarHBondContact O-N 2.9Å; A584-H586 VanDerWaalsContact O-N 3.14Å |
| 585 | K | 80.2 | Confident | 79.5 | Confident | 197 Ų | 197 | 98.3 Ų | 98.3 | 86% | 0.857 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 27.9 | -173.7 | -55.4 | -179.5 | -179.8 | 179.3 | 0 | 112.8 | A581 R582 Y583 | A581-K585 PolarHBondContact O-N 3.24Å; A581-K585 VanDerWaalsContact O-N 3.12Å; R582-K585 PolarHBondContact O-N 3.36Å; R582-K585 VanDerWaalsContact O-N 3.15Å; Y583-K585 PolarHBondContact O-N 2.91Å; Y583-K585 VanDerWaalsContact O-N 3.16Å |
| 586 | H | 75.9 | Confident | 80.1 | Confident | 140 Ų | 140 | 95.7 Ų | 95.7 | 65% | 0.648 | 48% | 0.478 | S | S | * | . | trans | -79 | 142.5 | 170 | -116.6 | 67.8 | 0 | 0 | 0 | 109.5 | A581 A584 V588 | A581-H586 HydrophobicContact CB-CB 4.18Å; A581-H586 PolarHBondContact O-N 3.41Å; A584-H586 PolarHBondContact O-N 2.9Å; A584-H586 VanDerWaalsContact O-N 3.14Å; H586-V588 PolarHBondContact O-N 3.03Å | ||
| 587 | H | 73 | Confident | 80.4 | Confident | 95 Ų | 95 | 95 Ų | 95 | 44% | 0.44 | 48% | 0.475 | S | S | . | . | trans | -62.5 | 129.7 | 178.2 | -173.4 | 64.9 | 0 | 0 | 0 | 111.1 | D481 S483 L484 | D481-H587 IonicContact OD1-NE2 3.52Å; D481-H587 IonicContact OD2-CD2 2.84Å; D481-H587 PolarHBondContact OD2-CD2 3Å; D481-H587 VanDerWaalsContact OD2-CD2 3.26Å; D481-H587 IonicContact OD2-CE1 3.05Å; D481-H587 IonicContact OD2-NE2 2.79Å; D481-H587 PolarHBondContact OD2-NE2 2.9Å; S483-H587 PolarHBondContact OG-CE1 3.43Å; S483-H587 PolarHBondContact OG-NE2 3.35Å; L484-H587 VanDerWaalsContact CD1-CD2 3.44Å; L484-H587 WeakPolarHBondContact CD1-CD2 3.38Å; L484-H587 WeakPolarHBondContact CD1-NE2 3.46Å | ||
| 588 | V | 70.8 | Confident | 81.1 | Confident | 31 Ų | 31 | 97 Ų | 97 | 19% | 0.188 | 48% | 0.482 | C | S | . | . | trans | -109.9 | 120.6 | 176.4 | 176.8 | 0 | 0 | 0 | 0 | 108.1 | V578 A581 R582 H586 E590 | V578-V588 HydrophobicContact CG1-CG1 3.78Å; V578-V588 HydrophobicContact CG1-CG2 4.33Å; A581-V588 HydrophobicContact CB-CG2 3.74Å; R582-V588 HydrophobicContact CG-CG2 3.86Å; H586-V588 PolarHBondContact O-N 3.03Å; V588-E590 PolarHBondContact O-N 3.4Å | ||
| 589 | P | 72 | Confident | 81.8 | Confident | 93 Ų | 93 | 99.5 Ų | 99.5 | 60% | 0.604 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -61 | 134.2 | 176 | -24.7 | 34.8 | 0 | 0 | 0 | 112.5 | D481 | D481-P589 HydrophobicContact CB-CB 4.28Å; D481-P589 VanDerWaalsContact OD2-CA 3.3Å; D481-P589 WeakPolarHBondContact OD2-CA 3.49Å |
| 590 | E | 74.7 | Confident | 82.4 | Confident | 115 Ų | 115 | 94.2 Ų | 94.2 | 54% | 0.537 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -101.5 | 131.7 | 175.8 | -72 | -177.8 | 179.6 | 0 | 0 | 110.2 | D481 I482 V588 | D481-E590 PolarHBondContact OD1-N 3.2Å; I482-E590 HydrophobicContact CG2-CB 3.61Å; V588-E590 PolarHBondContact O-N 3.4Å |
| 591 | E | 75.2 | Confident | 83.1 | Confident | 133 Ų | 133 | 93.1 Ų | 93.1 | 62% | 0.621 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 136.3 | 177 | -171.4 | 169.3 | -160.9 | 0 | 0 | 110.6 | D595 | E591-D595 HydrophobicContact CG-CB 4.39Š|
| 592 | H | 81.6 | Confident | 83.9 | Confident | 20 Ų | 20 | 95.2 Ų | 95.2 | 9% | 0.093 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 135.7 | -178.3 | -165.7 | -75.8 | 0 | 0 | 0 | 111.1 | I482 A526 D527 K594 D595 | I482-H592 WeakPolarHBondContact CD1-CD2 3.37Å; A526-H592 HydrophobicContact CB-CB 3.74Å; A526-H592 VanDerWaalsContact CB-CG 3.47Å; A526-H592 WeakPolarHBondContact CB-ND1 3.15Å; D527-H592 IonicContact OD1-CE1 3.21Å; D527-H592 IonicContact OD1-NE2 2.86Å; D527-H592 IonicContact OD2-NE2 2.63Å; H592-K594 VanDerWaalsContact C-N 3.27Å; H592-K594 WeakPolarHBondContact ND1-CB 3.35Å; H592-K594 PolarHBondContact ND1-N 3.47Å; H592-K594 PolarHBondContact O-N 3.05Å; H592-K594 VanDerWaalsContact O-N 3.15Å; H592-D595 WeakPolarHBondContact O-CB 3.31Å; H592-D595 PolarHBondContact O-N 2.94Å |
| 593 | P | 85.6 | Confident | 84.7 | Confident | 96 Ų | 96 | 87.3 Ų | 87.3 | 62% | 0.623 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -55 | -37.2 | 180 | -28 | 34.3 | 0 | 0 | 0 | 114.7 | D595 G596 | P593-D595 PolarHBondContact O-N 3.43Å; P593-G596 PolarHBondContact O-N 2.93Å; P593-G596 VanDerWaalsContact O-N 3.08Å |
| 594 | K | 87.8 | Confident | 85.3 | Confident | 62 Ų | 62 | 77.9 Ų | 77.9 | 27% | 0.27 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -68.6 | -6.8 | 175 | -62.4 | 173 | 178.1 | 172.2 | 0 | 114.8 | A526 D527 E530 H592 F599 R603 | A526-K594 HydrophobicContact CB-CB 3.99Å; D527-K594 WeakPolarHBondContact OD1-CD 3.47Å; D527-K594 WeakPolarHBondContact OD1-CE 3.46Å; D527-K594 IonicContact OD1-NZ 3.45Å; D527-K594 PolarHBondContact OD1-NZ 3.2Å; E530-K594 HydrophobicContact CB-CD 4.36Å; E530-K594 HydrophobicContact CG-CB 4Å; E530-K594 HydrophobicContact CG-CD 3.75Å; E530-K594 HydrophobicContact CG-CG 4.14Å; H592-K594 VanDerWaalsContact C-N 3.27Å; H592-K594 WeakPolarHBondContact ND1-CB 3.35Å; H592-K594 PolarHBondContact ND1-N 3.47Å; H592-K594 PolarHBondContact O-N 3.05Å; H592-K594 VanDerWaalsContact O-N 3.15Å; K594-F599 HydrophobicContact CB-CD1 4.45Å; K594-F599 HydrophobicContact CB-CG 4.47Å; K594-F599 HydrophobicContact CG-CE1 4.31Å; K594-F599 HydrophobicContact CG-CZ 4.49Å; K594-F599 WeakPolarHBondContact O-CB 3.46Å; K594-R603 PolarHBondContact O-NH2 3.08Å |
| 595 | D | 88 | Confident | 85.9 | Confident | 11 Ų | 11 | 77.3 Ų | 77.3 | 6% | 0.059 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -92.9 | 1.5 | 169.7 | -84.4 | -39.8 | 0 | 0 | 0 | 113.2 | K529 N566 E591 H592 P593 V600 R603 | K529-D595 IonicContact NZ-OD1 3.64Å; K529-D595 PolarHBondContact NZ-OD1 2.94Å; K529-D595 IonicContact NZ-OD2 3.9Å; K529-D595 PolarHBondContact NZ-OD2 2.77Å; N566-D595 PolarHBondContact ND2-OD1 3Å; N566-D595 PolarHBondContact OD1-OD1 3.45Å; E591-D595 HydrophobicContact CG-CB 4.39Å; H592-D595 WeakPolarHBondContact O-CB 3.31Å; H592-D595 PolarHBondContact O-N 2.94Å; P593-D595 PolarHBondContact O-N 3.43Å; D595-V600 WeakPolarHBondContact O-CG2 3.32Å; D595-R603 IonicContact OD1-CZ 2.79Å; D595-R603 IonicContact OD1-NH1 3.91Å; D595-R603 IonicContact OD1-NH2 3.96Å; D595-R603 PolarHBondContact OD1-NH2 3.47Å |
| 596 | G | 88.3 | Confident | 86.7 | Confident | 29 Ų | 29 | 69.5 Ų | 69.5 | 30% | 0.299 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -61.6 | 157.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P593 Q598 F599 V600 | P593-G596 PolarHBondContact O-N 2.93Å; P593-G596 VanDerWaalsContact O-N 3.08Å; G596-Q598 VanDerWaalsContact C-N 3.29Å; G596-Q598 PolarHBondContact O-N 3.31Å; G596-Q598 VanDerWaalsContact O-N 3.13Å; G596-F599 PolarHBondContact O-N 2.89Å; G596-V600 PolarHBondContact O-N 2.78Å; G596-V600 VanDerWaalsContact O-N 3.13Å |
| 597 | E | 88.3 | Confident | 87.7 | Confident | 136 Ų | 136 | 62.8 Ų | 62.8 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -51.8 | -42.7 | -170.6 | -170.2 | -176.1 | 165 | 0 | 0 | 113.6 | F599 V600 K601 | E597-F599 PolarHBondContact O-N 3.48Å; E597-V600 PolarHBondContact O-N 3.11Å; E597-K601 HydrophobicContact CG-CD 4.28Å; E597-K601 WeakPolarHBondContact O-CB 3.48Å; E597-K601 WeakPolarHBondContact O-CG 3.43Å; E597-K601 PolarHBondContact O-N 3.46Å; E597-K601 WeakPolarHBondContact OE1-CE 3.49Å; E597-K601 IonicContact OE1-NZ 3.56Å; E597-K601 PolarHBondContact OE1-NZ 2.87Å |
| 598 | Q | 91.8 | Very high | 88.9 | Confident | 142 Ų | 142 | 58.6 Ų | 58.6 | 66% | 0.664 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.3 | -39 | -178.4 | -169.7 | 61.1 | 27.9 | 0 | 0 | 112.8 | G596 N602 | G596-Q598 VanDerWaalsContact C-N 3.29Å; G596-Q598 PolarHBondContact O-N 3.31Å; G596-Q598 VanDerWaalsContact O-N 3.13Å; Q598-N602 PolarHBondContact O-N 3.44Å; Q598-N602 VanDerWaalsContact O-N 3.12Å |
| 599 | F | 93.9 | Very high | 90 | Very high | 86 Ų | 86 | 62.9 Ų | 62.9 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.7 | -44.1 | 176.9 | -72.5 | -84.7 | 0 | 0 | 0 | 110.6 | K594 G596 E597 K601 N602 R603 | K594-F599 HydrophobicContact CB-CD1 4.45Å; K594-F599 HydrophobicContact CB-CG 4.47Å; K594-F599 HydrophobicContact CG-CE1 4.31Å; K594-F599 HydrophobicContact CG-CZ 4.49Å; K594-F599 WeakPolarHBondContact O-CB 3.46Å; G596-F599 PolarHBondContact O-N 2.89Å; E597-F599 PolarHBondContact O-N 3.48Å; F599-K601 PolarHBondContact O-N 3.14Å; F599-N602 PolarHBondContact O-N 3.18Å; F599-R603 WeakPolarHBondContact O-CG 3.41Å; F599-R603 PolarHBondContact O-N 3.21Å |
| 600 | V | 94.1 | Very high | 91.1 | Very high | 22 Ų | 22 | 60.4 Ų | 60.4 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 177.1 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | T565 N566 D595 G596 E597 N602 R603 V604 | T565-V600 WeakPolarHBondContact O-CG1 3.3Å; N566-V600 HydrophobicContact CB-CG1 4.32Å; N566-V600 HydrophobicContact CB-CG2 4.22Å; N566-V600 VanDerWaalsContact ND2-CG2 3.33Å; N566-V600 WeakPolarHBondContact ND2-CG2 2.99Å; D595-V600 WeakPolarHBondContact O-CG2 3.32Å; G596-V600 PolarHBondContact O-N 2.78Å; G596-V600 VanDerWaalsContact O-N 3.13Å; E597-V600 PolarHBondContact O-N 3.11Å; V600-N602 PolarHBondContact O-N 3.25Å; V600-R603 WeakPolarHBondContact O-CB 3.34Å; V600-R603 PolarHBondContact O-N 2.98Å; V600-V604 HydrophobicContact CG1-CG2 4.18Å; V600-V604 WeakPolarHBondContact O-CB 3.44Å; V600-V604 WeakPolarHBondContact O-CG2 3.37Å; V600-V604 PolarHBondContact O-N 3.01Å |
| 601 | K | 95.2 | Very high | 92.1 | Very high | 83 Ų | 83 | 55.6 Ų | 55.6 | 36% | 0.361 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 175.6 | -79.2 | -179.1 | 178.5 | 171.9 | 0 | 112.2 | E597 F599 V604 H605 | E597-K601 HydrophobicContact CG-CD 4.28Å; E597-K601 WeakPolarHBondContact O-CB 3.48Å; E597-K601 WeakPolarHBondContact O-CG 3.43Å; E597-K601 PolarHBondContact O-N 3.46Å; E597-K601 WeakPolarHBondContact OE1-CE 3.49Å; E597-K601 IonicContact OE1-NZ 3.56Å; E597-K601 PolarHBondContact OE1-NZ 2.87Å; F599-K601 PolarHBondContact O-N 3.14Å; K601-V604 PolarHBondContact O-N 3.44Å; K601-H605 WeakPolarHBondContact O-CB 3.31Å; K601-H605 PolarHBondContact O-N 3.09Å |
| 602 | N | 96 | Very high | 93.1 | Very high | 70 Ų | 70 | 49.3 Ų | 49.3 | 37% | 0.374 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 176.5 | -175.1 | 50.7 | 0 | 0 | 0 | 111.7 | Q598 F599 V600 H605 I606 | Q598-N602 PolarHBondContact O-N 3.44Å; Q598-N602 VanDerWaalsContact O-N 3.12Å; F599-N602 PolarHBondContact O-N 3.18Å; V600-N602 PolarHBondContact O-N 3.25Å; N602-H605 WeakPolarHBondContact O-CB 3.48Å; N602-H605 PolarHBondContact O-N 3.32Å; N602-I606 WeakPolarHBondContact O-CG1 3.23Å; N602-I606 PolarHBondContact O-N 3.24Å |
| 603 | R | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59 | -49.4 | 176.2 | -81.8 | -171.1 | -89.5 | 148.3 | -14 | 112.7 | K529 E530 I533 N563 L564 K594 D595 F599 V600 H605 I606 L607 | K529-R603 VanDerWaalsContact CD-NH1 3.25Å; E530-R603 WeakPolarHBondContact OE1-CD 3.24Å; E530-R603 WeakPolarHBondContact OE1-CG 3.46Å; E530-R603 IonicContact OE1-CZ 3.27Å; E530-R603 IonicContact OE1-NE 3.55Å; E530-R603 PolarHBondContact OE1-NE 3.06Å; I533-R603 HydrophobicContact CB-CG 4.08Å; I533-R603 HydrophobicContact CD1-CB 4.38Å; I533-R603 HydrophobicContact CD1-CG 4.48Å; I533-R603 WeakPolarHBondContact CD1-O 3.46Å; I533-R603 HydrophobicContact CG1-CB 4.3Å; I533-R603 HydrophobicContact CG1-CG 4.01Å; I533-R603 HydrophobicContact CG2-CG 3.87Å; N563-R603 PolarHBondContact O-NH1 3.24Å; L564-R603 PolarHBondContact O-NH1 2.99Å; K594-R603 PolarHBondContact O-NH2 3.08Å; D595-R603 IonicContact OD1-CZ 2.79Å; D595-R603 IonicContact OD1-NH1 3.91Å; D595-R603 IonicContact OD1-NH2 3.96Å; D595-R603 PolarHBondContact OD1-NH2 3.47Å; F599-R603 WeakPolarHBondContact O-CG 3.41Å; F599-R603 PolarHBondContact O-N 3.21Å; V600-R603 WeakPolarHBondContact O-CB 3.34Å; V600-R603 PolarHBondContact O-N 2.98Å; R603-H605 VanDerWaalsContact C-N 3.31Å; R603-H605 PolarHBondContact O-N 3.12Å; R603-I606 PolarHBondContact O-N 2.93Å; R603-L607 WeakPolarHBondContact O-CB 3.38Å; R603-L607 PolarHBondContact O-N 3.28Å |
| 604 | V | 97.4 | Very high | 94.3 | Very high | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -46 | 177.7 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | T565 V600 K601 I606 L607 V608 F638 | T565-V604 HydrophobicContact CG2-CG2 4.04Å; V600-V604 HydrophobicContact CG1-CG2 4.18Å; V600-V604 WeakPolarHBondContact O-CB 3.44Å; V600-V604 WeakPolarHBondContact O-CG2 3.37Å; V600-V604 PolarHBondContact O-N 3.01Å; K601-V604 PolarHBondContact O-N 3.44Å; V604-I606 PolarHBondContact O-N 3.2Å; V604-L607 PolarHBondContact O-N 2.77Å; V604-V608 HydrophobicContact CG1-CG2 4.26Å; V604-V608 VanDerWaalsContact O-CG2 3.31Å; V604-V608 WeakPolarHBondContact O-CG2 3.28Å; V604-V608 PolarHBondContact O-N 2.99Å; V604-F638 HydrophobicContact CG1-CD1 4.04Å |
| 605 | H | 97.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 43 Ų | 43 | 25% | 0.25 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.7 | -47.5 | 179.4 | -178.6 | 77.8 | 0 | 0 | 0 | 112.9 | K601 N602 R603 K609 H644 | K601-H605 WeakPolarHBondContact O-CB 3.31Å; K601-H605 PolarHBondContact O-N 3.09Å; N602-H605 WeakPolarHBondContact O-CB 3.48Å; N602-H605 PolarHBondContact O-N 3.32Å; R603-H605 VanDerWaalsContact C-N 3.31Å; R603-H605 PolarHBondContact O-N 3.12Å; H605-K609 WeakPolarHBondContact CE1-CE 3.49Å; H605-K609 PolarHBondContact CE1-NZ 2.78Å; H605-K609 VanDerWaalsContact CE1-NZ 3.33Å; H605-K609 WeakPolarHBondContact NE2-CE 3.21Å; H605-K609 PolarHBondContact NE2-NZ 3.42Å; H605-K609 PolarHBondContact O-N 2.74Å; H605-K609 VanDerWaalsContact O-N 3.15Å; H605-H644 AromaticContact ND1-NE2 3.37Å; H605-H644 PolarHBondContact ND1-NE2 3.42Å |
| 606 | I | 97.4 | Very high | 95.2 | Very high | 32 Ų | 32 | 42.5 Ų | 42.5 | 16% | 0.164 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -45.4 | 178 | -63.2 | 166.7 | 0 | 0 | 0 | 110.1 | I533 L539 N602 R603 V604 V608 K609 E610 | I533-I606 HydrophobicContact CD1-CB 4.23Å; I533-I606 HydrophobicContact CD1-CG2 4.24Å; I533-I606 HydrophobicContact CG1-CB 3.95Å; I533-I606 HydrophobicContact CG1-CD1 4.11Å; I533-I606 HydrophobicContact CG1-CG2 3.99Å; L539-I606 HydrophobicContact CD1-CG2 3.82Å; N602-I606 WeakPolarHBondContact O-CG1 3.23Å; N602-I606 PolarHBondContact O-N 3.24Å; R603-I606 PolarHBondContact O-N 2.93Å; V604-I606 PolarHBondContact O-N 3.2Å; I606-V608 VanDerWaalsContact C-N 3.35Å; I606-V608 PolarHBondContact O-N 3.36Å; I606-K609 PolarHBondContact O-N 2.94Å; I606-E610 HydrophobicContact CG2-CG 4.2Å; I606-E610 WeakPolarHBondContact O-CB 3.47Å; I606-E610 WeakPolarHBondContact O-CG 3.14Å; I606-E610 PolarHBondContact O-N 3.43Å |
| 607 | L | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -39.1 | -178 | -176.2 | 56.1 | 0 | 0 | 0 | 112.6 | I533 L539 F561 L564 T565 R603 V604 G612 F638 | I533-L607 HydrophobicContact CD1-CB 4.09Å; L539-L607 HydrophobicContact CD2-CD1 4.31Å; F561-L607 HydrophobicContact CB-CD2 4.23Å; F561-L607 HydrophobicContact CD1-CD1 4Å; F561-L607 HydrophobicContact CD1-CD2 4.09Å; F561-L607 HydrophobicContact CD2-CD2 4.42Å; F561-L607 HydrophobicContact CE1-CD1 3.69Å; F561-L607 HydrophobicContact CE2-CD1 4.21Å; F561-L607 HydrophobicContact CG-CD1 4.42Å; F561-L607 HydrophobicContact CG-CD2 4Å; F561-L607 HydrophobicContact CZ-CD1 3.81Å; L564-L607 HydrophobicContact CB-CD2 4.27Å; L564-L607 HydrophobicContact CD1-CD2 4.23Å; T565-L607 HydrophobicContact CG2-CD2 4Å; R603-L607 WeakPolarHBondContact O-CB 3.38Å; R603-L607 PolarHBondContact O-N 3.28Å; V604-L607 PolarHBondContact O-N 2.77Å; L607-G612 WeakPolarHBondContact O-CA 3.49Å; L607-G612 PolarHBondContact O-N 3.07Å; L607-F638 HydrophobicContact CB-CE1 4.43Å; L607-F638 HydrophobicContact CD2-CE1 3.77Å; L607-F638 HydrophobicContact CD2-CZ 3.96Å; L607-F638 HydrophobicContact CG-CE1 3.93Å; L607-F638 HydrophobicContact CG-CZ 3.91Å |
| 608 | V | 96.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.036 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.5 | -48.7 | 174 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | V604 I606 E610 G611 F638 H644 Y647 | V604-V608 HydrophobicContact CG1-CG2 4.26Å; V604-V608 VanDerWaalsContact O-CG2 3.31Å; V604-V608 WeakPolarHBondContact O-CG2 3.28Å; V604-V608 PolarHBondContact O-N 2.99Å; I606-V608 VanDerWaalsContact C-N 3.35Å; I606-V608 PolarHBondContact O-N 3.36Å; V608-E610 VanDerWaalsContact C-N 3.3Å; V608-E610 PolarHBondContact O-N 3.24Å; V608-G611 PolarHBondContact O-N 3.04Å; V608-F638 HydrophobicContact CG2-CB 3.84Å; V608-F638 HydrophobicContact CG2-CD1 3.53Å; V608-F638 HydrophobicContact CG2-CD2 4.11Å; V608-F638 HydrophobicContact CG2-CE1 4.02Å; V608-F638 HydrophobicContact CG2-CG 3.56Å; V608-H644 HydrophobicContact CG1-CB 4.48Å; V608-H644 HydrophobicContact CG2-CB 4.48Å; V608-Y647 HydrophobicContact CG1-CG 4.26Å |
| 609 | K | 95.4 | Very high | 95.9 | Very high | 121 Ų | 121 | 32 Ų | 32 | 53% | 0.526 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.9 | -33.3 | -179.9 | -80.4 | -175.3 | 167.9 | 173.5 | 0 | 113.9 | H605 I606 G611 | H605-K609 WeakPolarHBondContact CE1-CE 3.49Å; H605-K609 PolarHBondContact CE1-NZ 2.78Å; H605-K609 VanDerWaalsContact CE1-NZ 3.33Å; H605-K609 WeakPolarHBondContact NE2-CE 3.21Å; H605-K609 PolarHBondContact NE2-NZ 3.42Å; H605-K609 PolarHBondContact O-N 2.74Å; H605-K609 VanDerWaalsContact O-N 3.15Å; I606-K609 PolarHBondContact O-N 2.94Å; K609-G611 VanDerWaalsContact C-N 3.26Å; K609-G611 PolarHBondContact O-N 3.04Å |
| 610 | E | 95 | Very high | 95.9 | Very high | 42 Ų | 42 | 28.5 Ų | 28.5 | 20% | 0.196 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 14 | -178.6 | -65 | -61.6 | 155 | 0 | 0 | 113.5 | V536 L539 R540 I606 V608 | V536-E610 VanDerWaalsContact CG1-CD 3.46Å; V536-E610 HydrophobicContact CG1-CG 4.21Å; V536-E610 WeakPolarHBondContact CG1-OE1 3.33Å; V536-E610 WeakPolarHBondContact CG1-OE2 3.46Å; L539-E610 HydrophobicContact CB-CB 4.46Å; L539-E610 HydrophobicContact CD1-CB 4.46Å; L539-E610 HydrophobicContact CD1-CG 4.36Å; R540-E610 IonicContact CZ-OE2 2.71Å; R540-E610 VanDerWaalsContact CZ-OE2 3.29Å; R540-E610 IonicContact NE-OE2 3.38Å; R540-E610 PolarHBondContact NE-OE2 3.31Å; R540-E610 IonicContact NH2-OE1 2.73Å; R540-E610 PolarHBondContact NH2-OE1 3.24Å; R540-E610 IonicContact NH2-OE2 2.69Å; R540-E610 PolarHBondContact NH2-OE2 2.83Å; I606-E610 HydrophobicContact CG2-CG 4.2Å; I606-E610 WeakPolarHBondContact O-CB 3.47Å; I606-E610 WeakPolarHBondContact O-CG 3.14Å; I606-E610 PolarHBondContact O-N 3.43Å; V608-E610 VanDerWaalsContact C-N 3.3Å; V608-E610 PolarHBondContact O-N 3.24Å |
| 611 | G | 94.4 | Very high | 95.5 | Very high | 14 Ų | 14 | 33 Ų | 33 | 14% | 0.144 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | 24.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115 | V608 K609 V613 S614 A615 | V608-G611 PolarHBondContact O-N 3.04Å; K609-G611 VanDerWaalsContact C-N 3.26Å; K609-G611 PolarHBondContact O-N 3.04Å; G611-V613 VanDerWaalsContact C-N 3.26Å; G611-V613 PolarHBondContact O-N 3.33Å; G611-S614 WeakPolarHBondContact O-CB 3.36Å; G611-S614 PolarHBondContact O-N 2.85Å; G611-A615 PolarHBondContact O-N 3.37Å; G611-A615 VanDerWaalsContact O-N 3.09Å |
| 612 | G | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57 | -35.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | L607 C616 | L607-G612 WeakPolarHBondContact O-CA 3.49Å; L607-G612 PolarHBondContact O-N 3.07Å; G612-C616 PolarHBondContact O-N 2.84Å; G612-C616 VanDerWaalsContact O-N 3.15Å; G612-C616 PolarHBondContact O-SG 3.37Å |
| 613 | V | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.5 | -47 | 176.9 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | G611 A615 C616 I617 L635 F638 V648 D651 | G611-V613 VanDerWaalsContact C-N 3.26Å; G611-V613 PolarHBondContact O-N 3.33Å; V613-A615 VanDerWaalsContact C-N 3.28Å; V613-A615 PolarHBondContact O-N 2.6Å; V613-C616 WeakPolarHBondContact O-CB 3.49Å; V613-C616 PolarHBondContact O-N 3.03Å; V613-I617 HydrophobicContact CG1-CD1 4.12Å; V613-I617 WeakPolarHBondContact O-CG1 3.39Å; V613-I617 PolarHBondContact O-N 2.75Å; V613-L635 HydrophobicContact CG1-CD2 4.26Å; V613-F638 HydrophobicContact CG2-CD2 3.72Å; V613-F638 HydrophobicContact CG2-CE2 3.97Å; V613-V648 HydrophobicContact CG2-CG2 4.02Å; V613-D651 HydrophobicContact CB-CB 3.78Å; V613-D651 HydrophobicContact CG1-CB 3.55Å |
| 614 | S | 96.2 | Very high | 92.7 | Very high | 47 Ų | 47 | 36.7 Ų | 36.7 | 33% | 0.329 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.3 | -40.6 | 176.9 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | G611 I617 A618 D651 | G611-S614 WeakPolarHBondContact O-CB 3.36Å; G611-S614 PolarHBondContact O-N 2.85Å; S614-I617 PolarHBondContact O-N 2.81Å; S614-A618 PolarHBondContact O-N 2.98Å; S614-A618 VanDerWaalsContact O-N 3.08Å; S614-D651 PolarHBondContact OG-OD2 2.93Å |
| 615 | A | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V543 A546 F561 G611 V613 I617 A618 M619 | V543-A615 HydrophobicContact CB-CB 4.42Å; V543-A615 HydrophobicContact CG1-CB 4.23Å; V543-A615 HydrophobicContact CG2-CB 4.12Å; A546-A615 HydrophobicContact CB-CB 3.61Å; F561-A615 HydrophobicContact CE2-CB 3.75Å; F561-A615 HydrophobicContact CZ-CB 4.14Å; G611-A615 PolarHBondContact O-N 3.37Å; G611-A615 VanDerWaalsContact O-N 3.09Å; V613-A615 VanDerWaalsContact C-N 3.28Å; V613-A615 PolarHBondContact O-N 2.6Å; A615-I617 VanDerWaalsContact C-N 3.28Å; A615-I617 PolarHBondContact O-N 3.26Å; A615-A618 PolarHBondContact O-N 3.42Å; A615-M619 HydrophobicContact CB-CE 4.5Å; A615-M619 WeakPolarHBondContact O-CB 3.36Å; A615-M619 WeakPolarHBondContact O-CE 3.46Å; A615-M619 WeakPolarHBondContact O-CG 3.23Å; A615-M619 PolarHBondContact O-N 2.87Å; A615-M619 VanDerWaalsContact O-N 3.17Å |
| 616 | C | 97.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -37.9 | 175.5 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | G612 V613 M619 S620 L631 L635 L656 | G612-C616 PolarHBondContact O-N 2.84Å; G612-C616 VanDerWaalsContact O-N 3.15Å; G612-C616 PolarHBondContact O-SG 3.37Å; V613-C616 WeakPolarHBondContact O-CB 3.49Å; V613-C616 PolarHBondContact O-N 3.03Å; C616-M619 PolarHBondContact O-N 3.39Å; C616-S620 PolarHBondContact O-N 3.37Å; C616-L631 HydrophobicContact CB-CD2 4.05Å; C616-L635 HydrophobicContact CB-CD2 4.25Å; C616-L635 HydrophobicContact CB-CG 4.5Å; C616-L656 HydrophobicContact CB-CD2 4.16Å |
| 617 | I | 96.6 | Very high | 91 | Very high | 55 Ų | 55 | 41.4 Ų | 41.4 | 28% | 0.282 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.8 | -47.5 | 177.5 | -66.3 | 167.8 | 0 | 0 | 0 | 111.2 | V613 S614 A615 M619 S620 D651 L656 | V613-I617 HydrophobicContact CG1-CD1 4.12Å; V613-I617 WeakPolarHBondContact O-CG1 3.39Å; V613-I617 PolarHBondContact O-N 2.75Å; S614-I617 PolarHBondContact O-N 2.81Å; A615-I617 VanDerWaalsContact C-N 3.28Å; A615-I617 PolarHBondContact O-N 3.26Å; I617-M619 PolarHBondContact O-N 2.86Å; I617-S620 VanDerWaalsContact O-CB 3.31Å; I617-S620 WeakPolarHBondContact O-CB 3.5Å; I617-S620 PolarHBondContact O-N 3.11Å; I617-S620 VanDerWaalsContact O-N 3.1Å; I617-S620 PolarHBondContact O-OG 3.34Å; I617-D651 WeakPolarHBondContact CD1-O 3.42Å; I617-L656 HydrophobicContact CG1-CB 4.36Å; I617-L656 HydrophobicContact CG1-CD2 3.94Å |
| 618 | A | 94.3 | Very high | 90.8 | Very high | 31 Ų | 31 | 42.5 Ų | 42.5 | 26% | 0.256 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61 | -31.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | A546 V547 G550 S614 A615 | A546-A618 VanDerWaalsContact O-CB 3.3Å; A546-A618 WeakPolarHBondContact O-CB 3.43Å; V547-A618 HydrophobicContact CG2-CB 4.17Å; G550-A618 WeakPolarHBondContact CA-O 3.4Å; S614-A618 PolarHBondContact O-N 2.98Å; S614-A618 VanDerWaalsContact O-N 3.08Å; A615-A618 PolarHBondContact O-N 3.42Å |
| 619 | M | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -3.9 | 179.4 | -74.1 | -168.4 | -60.1 | 0 | 0 | 114.4 | A546 V554 V557 A615 C616 I617 D621 L631 | A546-M619 HydrophobicContact CB-CE 4.4Å; A546-M619 HydrophobicContact CB-CG 3.99Å; A546-M619 HydrophobicContact CB-SD 4.09Å; V554-M619 HydrophobicContact CG2-CB 3.54Å; V554-M619 HydrophobicContact CG2-CG 3.97Å; V554-M619 WeakPolarHBondContact CG2-O 3.48Å; V554-M619 HydrophobicContact CG2-SD 4.25Å; V557-M619 HydrophobicContact CB-CE 4.11Å; V557-M619 HydrophobicContact CB-SD 3.68Å; V557-M619 HydrophobicContact CG1-CE 3.8Å; V557-M619 HydrophobicContact CG1-SD 3.97Å; V557-M619 HydrophobicContact CG2-SD 4.49Å; A615-M619 HydrophobicContact CB-CE 4.5Å; A615-M619 WeakPolarHBondContact O-CB 3.36Å; A615-M619 WeakPolarHBondContact O-CE 3.46Å; A615-M619 WeakPolarHBondContact O-CG 3.23Å; A615-M619 PolarHBondContact O-N 2.87Å; A615-M619 VanDerWaalsContact O-N 3.17Å; C616-M619 PolarHBondContact O-N 3.39Å; I617-M619 PolarHBondContact O-N 2.86Å; M619-D621 PolarHBondContact O-N 3.47Å; M619-L631 HydrophobicContact CB-CD2 4.32Å; M619-L631 HydrophobicContact CE-CD2 4.18Å |
| 620 | S | 92.2 | Very high | 90.7 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | trans | -78 | -12.3 | -167.4 | 70.2 | 0 | 0 | 0 | 0 | 116.2 | C616 I617 T622 K659 | C616-S620 PolarHBondContact O-N 3.37Å; I617-S620 VanDerWaalsContact O-CB 3.31Å; I617-S620 WeakPolarHBondContact O-CB 3.5Å; I617-S620 PolarHBondContact O-N 3.11Å; I617-S620 VanDerWaalsContact O-N 3.1Å; I617-S620 PolarHBondContact O-OG 3.34Å; S620-T622 PolarHBondContact O-N 3.26Å; S620-K659 PolarHBondContact O-NZ 3.23Å | ||
| 621 | D | 85.8 | Confident | 90.8 | Very high | 117 Ų | 117 | 37.8 Ų | 37.8 | 63% | 0.626 | 22% | 0.22 | S | C | * | . | trans | -85.6 | 52.3 | 178.3 | -72 | -25.7 | 0 | 0 | 0 | 111.4 | P551 M619 K659 | P551-D621 HydrophobicContact CG-CB 4.3Å; P551-D621 WeakPolarHBondContact CG-O 3.32Å; M619-D621 PolarHBondContact O-N 3.47Å; D621-K659 IonicContact OD1-NZ 2.7Å; D621-K659 PolarHBondContact OD1-NZ 3.31Å | ||
| 622 | T | 81.5 | Confident | 91 | Very high | 23 Ų | 23 | 37.1 Ų | 37.1 | 14% | 0.141 | 21% | 0.214 | C | C | . | . | trans | -112 | 139.9 | 177.7 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | V554 S620 S624 R628 | V554-T622 HydrophobicContact CG2-CG2 4.47Å; S620-T622 PolarHBondContact O-N 3.26Å; T622-S624 PolarHBondContact OG1-N 3.1Å; T622-R628 HydrophobicContact CG2-CG 3.87Å | ||
| 623 | E | 71.4 | Confident | 91 | Very high | 154 Ų | 154 | 38.1 Ų | 38.1 | 72% | 0.72 | 22% | 0.217 | S | C | * | . | trans | -80.2 | -19.9 | 175.8 | -61.7 | -69.4 | 175.1 | 0 | 0 | 111.6 | E625 R628 | E623-E625 PolarHBondContact O-N 2.87Å; E623-R628 PolarHBondContact O-NH2 3.15Å | ||
| 624 | S | 78.5 | Confident | 91.1 | Very high | 52 Ų | 52 | 38.1 Ų | 38.1 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | trans | -69.8 | 123.6 | -177.8 | 172.3 | 0 | 0 | 0 | 0 | 112 | T622 S627 R628 | T622-S624 PolarHBondContact OG1-N 3.1Å; S624-S627 WeakPolarHBondContact CB-OG 3.43Å; S624-S627 PolarHBondContact O-N 2.65Å; S624-S627 PolarHBondContact OG-N 2.89Å; S624-S627 PolarHBondContact OG-OG 3.13Å; S624-R628 WeakPolarHBondContact O-CG 3.45Å; S624-R628 PolarHBondContact O-N 3.29Å; S624-R628 VanDerWaalsContact O-N 3.12Å; S624-R628 PolarHBondContact O-NE 3.15Å | ||
| 625 | E | 81 | Confident | 91.2 | Very high | 109 Ų | 109 | 35.9 Ų | 35.9 | 51% | 0.509 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65 | -41.6 | 174.4 | -72.5 | -173.7 | 157.1 | 0 | 0 | 112 | E623 S627 R628 E629 N664 | E623-E625 PolarHBondContact O-N 2.87Å; E625-S627 PolarHBondContact O-N 3.45Å; E625-R628 PolarHBondContact O-N 3.05Å; E625-R628 VanDerWaalsContact O-N 3.16Å; E625-E629 WeakPolarHBondContact O-CB 3.47Å; E625-E629 PolarHBondContact O-N 3.23Å; E625-N664 PolarHBondContact O-OD1 2.9Å |
| 626 | A | 84.7 | Confident | 91.2 | Very high | 68 Ų | 68 | 37 Ų | 37 | 56% | 0.562 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -59.5 | -38.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | E629 S630 | A626-E629 PolarHBondContact O-N 2.93Å; A626-S630 PolarHBondContact O-N 2.85Å; A626-S630 PolarHBondContact O-OG 3.39Å |
| 627 | S | 89.3 | Confident | 91.2 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.7 | -43.3 | 176.4 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | V554 S624 E625 E629 S630 L631 | V554-S627 WeakPolarHBondContact CG1-OG 2.95Å; S624-S627 WeakPolarHBondContact CB-OG 3.43Å; S624-S627 PolarHBondContact O-N 2.65Å; S624-S627 PolarHBondContact OG-N 2.89Å; S624-S627 PolarHBondContact OG-OG 3.13Å; E625-S627 PolarHBondContact O-N 3.45Å; S627-E629 VanDerWaalsContact C-N 3.31Å; S627-E629 PolarHBondContact O-N 3.36Å; S627-S630 WeakPolarHBondContact O-CB 3.36Å; S627-S630 PolarHBondContact O-N 3.35Å; S627-L631 WeakPolarHBondContact O-CG 3.47Å; S627-L631 PolarHBondContact O-N 3.49Å |
| 628 | R | 93.7 | Very high | 91.2 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 9% | 0.087 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.2 | -35.3 | 175.8 | -74 | 179.2 | -79.2 | 147.8 | -9.4 | 111.9 | T622 E623 S624 E625 L631 S632 L660 S663 N664 | T622-R628 HydrophobicContact CG2-CG 3.87Å; E623-R628 PolarHBondContact O-NH2 3.15Å; S624-R628 WeakPolarHBondContact O-CG 3.45Å; S624-R628 PolarHBondContact O-N 3.29Å; S624-R628 VanDerWaalsContact O-N 3.12Å; S624-R628 PolarHBondContact O-NE 3.15Å; E625-R628 PolarHBondContact O-N 3.05Å; E625-R628 VanDerWaalsContact O-N 3.16Å; R628-L631 PolarHBondContact O-N 3.4Å; R628-S632 PolarHBondContact O-N 2.86Å; R628-S632 PolarHBondContact O-OG 3.22Å; R628-L660 HydrophobicContact CB-CD2 3.7Å; R628-L660 HydrophobicContact CG-CD2 3.91Å; R628-S663 WeakPolarHBondContact CD-O 3.38Å; R628-S663 PolarHBondContact NH1-O 3.33Å; R628-S663 PolarHBondContact NH1-OG 3.37Å; R628-N664 VanDerWaalsContact C-ND2 3.25Å; R628-N664 HydrophobicContact CB-CB 4.37Å; R628-N664 WeakPolarHBondContact CB-OD1 3.5Å; R628-N664 VanDerWaalsContact NH1-CA 3.34Å; R628-N664 VanDerWaalsContact NH1-N 3.19Å; R628-N664 PolarHBondContact O-ND2 3.15Å |
| 629 | E | 95 | Very high | 91.4 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.6 | -47.6 | 171.9 | -174 | 177.7 | 138 | 0 | 0 | 111 | E625 A626 S627 L631 S632 R633 N664 S665 | E625-E629 WeakPolarHBondContact O-CB 3.47Å; E625-E629 PolarHBondContact O-N 3.23Å; A626-E629 PolarHBondContact O-N 2.93Å; S627-E629 VanDerWaalsContact C-N 3.31Å; S627-E629 PolarHBondContact O-N 3.36Å; E629-L631 VanDerWaalsContact C-N 3.31Å; E629-L631 PolarHBondContact O-N 3.33Å; E629-S632 WeakPolarHBondContact O-CA 3.37Å; E629-S632 WeakPolarHBondContact O-CB 3.5Å; E629-S632 PolarHBondContact O-N 3.31Å; E629-R633 WeakPolarHBondContact O-CG 3.4Å; E629-R633 PolarHBondContact O-N 3.37Å; E629-R633 IonicContact OE1-CZ 2.6Å; E629-R633 IonicContact OE1-NE 3.23Å; E629-R633 PolarHBondContact OE1-NE 3.48Å; E629-R633 VanDerWaalsContact OE1-NE 3.08Å; E629-R633 IonicContact OE1-NH2 2.69Å; E629-R633 PolarHBondContact OE1-NH2 3.33Å; E629-N664 PolarHBondContact N-OD1 3.15Å; E629-N664 VanDerWaalsContact N-OD1 3.12Å; E629-S665 PolarHBondContact OE2-OG 2.76Å |
| 630 | S | 95.1 | Very high | 91.4 | Very high | 30 Ų | 30 | 38 Ų | 38 | 21% | 0.21 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.5 | -43 | 174.4 | -66.2 | 0 | 0 | 0 | 0 | 112.4 | A626 S627 S632 R633 I634 | A626-S630 PolarHBondContact O-N 2.85Å; A626-S630 PolarHBondContact O-OG 3.39Å; S627-S630 WeakPolarHBondContact O-CB 3.36Å; S627-S630 PolarHBondContact O-N 3.35Å; S630-S632 VanDerWaalsContact C-N 3.31Å; S630-S632 PolarHBondContact O-N 3.03Å; S630-R633 WeakPolarHBondContact O-CB 3.37Å; S630-R633 PolarHBondContact O-N 3Å; S630-I634 WeakPolarHBondContact O-CD1 3.44Å; S630-I634 VanDerWaalsContact O-CG1 3.24Å; S630-I634 WeakPolarHBondContact O-CG1 3.14Å; S630-I634 PolarHBondContact O-N 2.92Å |
| 631 | L | 97 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -38.8 | 175 | -65 | 178.4 | 0 | 0 | 0 | 112.2 | C616 M619 S627 R628 E629 I634 L635 L660 | C616-L631 HydrophobicContact CB-CD2 4.05Å; M619-L631 HydrophobicContact CB-CD2 4.32Å; M619-L631 HydrophobicContact CE-CD2 4.18Å; S627-L631 WeakPolarHBondContact O-CG 3.47Å; S627-L631 PolarHBondContact O-N 3.49Å; R628-L631 PolarHBondContact O-N 3.4Å; E629-L631 VanDerWaalsContact C-N 3.31Å; E629-L631 PolarHBondContact O-N 3.33Å; L631-I634 HydrophobicContact CD2-CD1 4.46Å; L631-I634 PolarHBondContact O-N 3.08Å; L631-L635 WeakPolarHBondContact O-CB 3.32Å; L631-L635 VanDerWaalsContact O-CG 3.31Å; L631-L635 WeakPolarHBondContact O-CG 3.5Å; L631-L635 PolarHBondContact O-N 3.38Å; L631-L660 HydrophobicContact CB-CD1 4.19Å |
| 632 | S | 97.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 176 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | R628 E629 S630 L635 H636 N664 G668 I671 | R628-S632 PolarHBondContact O-N 2.86Å; R628-S632 PolarHBondContact O-OG 3.22Å; E629-S632 WeakPolarHBondContact O-CA 3.37Å; E629-S632 WeakPolarHBondContact O-CB 3.5Å; E629-S632 PolarHBondContact O-N 3.31Å; S630-S632 VanDerWaalsContact C-N 3.31Å; S630-S632 PolarHBondContact O-N 3.03Å; S632-L635 PolarHBondContact O-N 3.05Å; S632-H636 WeakPolarHBondContact O-CB 3.2Å; S632-H636 PolarHBondContact O-N 3.34Å; S632-N664 PolarHBondContact OG-ND2 3.34Å; S632-G668 WeakPolarHBondContact CB-O 3.23Å; S632-G668 PolarHBondContact OG-O 3.35Å; S632-I671 WeakPolarHBondContact O-CG2 3.48Å |
| 633 | R | 97.5 | Very high | 92.4 | Very high | 21 Ų | 21 | 42.7 Ų | 42.7 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 176 | -73.9 | 174.6 | -179.2 | -76.9 | 1.8 | 112.1 | V562 T567 D569 E629 S630 H636 G637 I671 | V562-R633 HydrophobicContact CG2-CB 4.42Å; T567-R633 WeakPolarHBondContact CB-O 3.46Å; T567-R633 WeakPolarHBondContact CG2-O 3.35Å; T567-R633 WeakPolarHBondContact O-CD 3.29Å; T567-R633 WeakPolarHBondContact O-CG 3.32Å; T567-R633 PolarHBondContact O-NH1 2.96Å; T567-R633 VanDerWaalsContact O-NH1 3.11Å; D569-R633 VanDerWaalsContact CG-NH2 3.31Å; D569-R633 IonicContact OD1-CZ 2.9Å; D569-R633 IonicContact OD1-NH1 2.89Å; D569-R633 PolarHBondContact OD1-NH1 2.89Å; D569-R633 IonicContact OD1-NH2 3Å; D569-R633 PolarHBondContact OD1-NH2 3.21Å; D569-R633 IonicContact OD2-CZ 2.74Å; D569-R633 IonicContact OD2-NH2 2.86Å; D569-R633 PolarHBondContact OD2-NH2 3.44Å; D569-R633 VanDerWaalsContact OD2-NH2 3.15Å; E629-R633 WeakPolarHBondContact O-CG 3.4Å; E629-R633 PolarHBondContact O-N 3.37Å; E629-R633 IonicContact OE1-CZ 2.6Å; E629-R633 IonicContact OE1-NE 3.23Å; E629-R633 PolarHBondContact OE1-NE 3.48Å; E629-R633 VanDerWaalsContact OE1-NE 3.08Å; E629-R633 IonicContact OE1-NH2 2.69Å; E629-R633 PolarHBondContact OE1-NH2 3.33Å; S630-R633 WeakPolarHBondContact O-CB 3.37Å; S630-R633 PolarHBondContact O-N 3Å; R633-H636 PolarHBondContact O-N 3.43Å; R633-G637 PolarHBondContact O-N 3.49Å; R633-I671 HydrophobicContact CG-CD1 3.81Å |
| 634 | I | 97.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -51.2 | 178.6 | -63.7 | 158 | 0 | 0 | 0 | 110.8 | F561 V562 S630 L631 H636 G637 F638 | F561-I634 HydrophobicContact CB-CD1 3.59Å; F561-I634 HydrophobicContact CB-CG1 3.78Å; F561-I634 HydrophobicContact CB-CG2 4.09Å; F561-I634 HydrophobicContact CD2-CD1 4.38Å; F561-I634 HydrophobicContact CD2-CG2 4.28Å; F561-I634 HydrophobicContact CG-CD1 4.49Å; V562-I634 HydrophobicContact CG2-CD1 4.02Å; V562-I634 HydrophobicContact CG2-CG1 3.64Å; S630-I634 WeakPolarHBondContact O-CD1 3.44Å; S630-I634 VanDerWaalsContact O-CG1 3.24Å; S630-I634 WeakPolarHBondContact O-CG1 3.14Å; S630-I634 PolarHBondContact O-N 2.92Å; L631-I634 HydrophobicContact CD2-CD1 4.46Å; L631-I634 PolarHBondContact O-N 3.08Å; I634-H636 VanDerWaalsContact C-N 3.31Å; I634-H636 PolarHBondContact O-N 2.92Å; I634-G637 WeakPolarHBondContact O-CA 3.47Å; I634-G637 PolarHBondContact O-N 3.21Å; I634-G637 VanDerWaalsContact O-N 3.09Å; I634-F638 HydrophobicContact CG2-CD1 4.43Å; I634-F638 HydrophobicContact CG2-CD2 4.26Å; I634-F638 HydrophobicContact CG2-CE1 3.79Å; I634-F638 HydrophobicContact CG2-CE2 3.58Å; I634-F638 HydrophobicContact CG2-CZ 3.32Å; I634-F638 WeakPolarHBondContact O-CD1 3.32Å; I634-F638 WeakPolarHBondContact O-CG 3.39Å; I634-F638 PolarHBondContact O-N 3.08Å |
| 635 | L | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.3 | -36.8 | -179.2 | -68.4 | 170.2 | 0 | 0 | 0 | 111.9 | V613 C616 L631 S632 F638 C639 L656 L657 L660 | V613-L635 HydrophobicContact CG1-CD2 4.26Å; C616-L635 HydrophobicContact CB-CD2 4.25Å; C616-L635 HydrophobicContact CB-CG 4.5Å; L631-L635 WeakPolarHBondContact O-CB 3.32Å; L631-L635 VanDerWaalsContact O-CG 3.31Å; L631-L635 WeakPolarHBondContact O-CG 3.5Å; L631-L635 PolarHBondContact O-N 3.38Å; S632-L635 PolarHBondContact O-N 3.05Å; L635-F638 HydrophobicContact CD2-CD2 4.14Å; L635-F638 WeakPolarHBondContact O-CB 3.19Å; L635-F638 PolarHBondContact O-N 3.42Å; L635-C639 PolarHBondContact O-N 3.15Å; L635-C639 PolarHBondContact O-SG 3.01Å; L635-L656 HydrophobicContact CD1-CB 4.47Å; L635-L656 HydrophobicContact CD1-CD2 3.7Å; L635-L656 HydrophobicContact CD1-CG 3.89Å; L635-L657 HydrophobicContact CB-CD2 3.8Å; L635-L657 HydrophobicContact CB-CG 4.34Å; L635-L657 HydrophobicContact CD1-CD2 3.79Å; L635-L657 HydrophobicContact CD1-CG 3.97Å; L635-L657 HydrophobicContact CG-CD2 4.46Å; L635-L660 HydrophobicContact CD1-CD1 4.03Å |
| 636 | H | 97.2 | Very high | 95 | Very high | 25 Ų | 25 | 30.5 Ų | 30.5 | 12% | 0.116 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 171.2 | 175.4 | -103.5 | 0 | 0 | 0 | 111.6 | S632 R633 I634 F638 C639 M640 I671 Q674 A675 K678 | S632-H636 WeakPolarHBondContact O-CB 3.2Å; S632-H636 PolarHBondContact O-N 3.34Å; R633-H636 PolarHBondContact O-N 3.43Å; I634-H636 VanDerWaalsContact C-N 3.31Å; I634-H636 PolarHBondContact O-N 2.92Å; H636-F638 VanDerWaalsContact C-N 3.28Å; H636-F638 PolarHBondContact O-N 2.87Å; H636-C639 WeakPolarHBondContact O-CA 3.37Å; H636-C639 PolarHBondContact O-N 3.09Å; H636-M640 PolarHBondContact O-N 3Å; H636-I671 HydrophobicContact CB-CG2 3.49Å; H636-I671 VanDerWaalsContact CB-CG2 3.49Å; H636-Q674 PolarHBondContact NE2-OE1 3.29Å; H636-A675 HydrophobicContact CB-CB 4.03Å; H636-K678 WeakPolarHBondContact NE2-CE 3.34Å |
| 637 | G | 96.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.4 | -42 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T567 R633 I634 C639 M640 | T567-G637 VanDerWaalsContact CG2-CA 3.43Å; R633-G637 PolarHBondContact O-N 3.49Å; I634-G637 WeakPolarHBondContact O-CA 3.47Å; I634-G637 PolarHBondContact O-N 3.21Å; I634-G637 VanDerWaalsContact O-N 3.09Å; G637-C639 VanDerWaalsContact C-N 3.26Å; G637-C639 PolarHBondContact O-N 3.2Å; G637-M640 WeakPolarHBondContact O-CB 3.43Å; G637-M640 WeakPolarHBondContact O-CG 3.22Å; G637-M640 PolarHBondContact O-N 3.29Å |
| 638 | F | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.4 | -27.4 | 174.5 | -60.3 | -15.7 | 0 | 0 | 0 | 112.9 | T565 V604 L607 V608 V613 I634 L635 H636 H644 V648 | T565-F638 HydrophobicContact CG2-CD1 4.22Å; T565-F638 HydrophobicContact CG2-CE1 3.79Å; V604-F638 HydrophobicContact CG1-CD1 4.04Å; L607-F638 HydrophobicContact CB-CE1 4.43Å; L607-F638 HydrophobicContact CD2-CE1 3.77Å; L607-F638 HydrophobicContact CD2-CZ 3.96Å; L607-F638 HydrophobicContact CG-CE1 3.93Å; L607-F638 HydrophobicContact CG-CZ 3.91Å; V608-F638 HydrophobicContact CG2-CB 3.84Å; V608-F638 HydrophobicContact CG2-CD1 3.53Å; V608-F638 HydrophobicContact CG2-CD2 4.11Å; V608-F638 HydrophobicContact CG2-CE1 4.02Å; V608-F638 HydrophobicContact CG2-CG 3.56Å; V613-F638 HydrophobicContact CG2-CD2 3.72Å; V613-F638 HydrophobicContact CG2-CE2 3.97Å; I634-F638 HydrophobicContact CG2-CD1 4.43Å; I634-F638 HydrophobicContact CG2-CD2 4.26Å; I634-F638 HydrophobicContact CG2-CE1 3.79Å; I634-F638 HydrophobicContact CG2-CE2 3.58Å; I634-F638 HydrophobicContact CG2-CZ 3.32Å; I634-F638 WeakPolarHBondContact O-CD1 3.32Å; I634-F638 WeakPolarHBondContact O-CG 3.39Å; I634-F638 PolarHBondContact O-N 3.08Å; L635-F638 HydrophobicContact CD2-CD2 4.14Å; L635-F638 WeakPolarHBondContact O-CB 3.19Å; L635-F638 PolarHBondContact O-N 3.42Å; H636-F638 VanDerWaalsContact C-N 3.28Å; H636-F638 PolarHBondContact O-N 2.87Å; F638-H644 WeakPolarHBondContact O-CB 3.4Å; F638-V648 HydrophobicContact CB-CG2 3.75Å |
| 639 | C | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -86.3 | -4.9 | 179.5 | -63.9 | 0 | 0 | 0 | 0 | 113.7 | L635 H636 G637 E641 R645 A675 K678 | L635-C639 PolarHBondContact O-N 3.15Å; L635-C639 PolarHBondContact O-SG 3.01Å; H636-C639 WeakPolarHBondContact O-CA 3.37Å; H636-C639 PolarHBondContact O-N 3.09Å; G637-C639 VanDerWaalsContact C-N 3.26Å; G637-C639 PolarHBondContact O-N 3.2Å; C639-E641 VanDerWaalsContact C-N 3.33Å; C639-E641 PolarHBondContact O-N 3.28Å; C639-R645 HydrophobicContact CB-CG 4.45Å; C639-R645 PolarHBondContact O-NE 2.9Å; C639-R645 PolarHBondContact O-NH2 3.19Å; C639-A675 HydrophobicContact CB-CB 4.45Å; C639-K678 HydrophobicContact CB-CB 4.21Å; C639-K678 HydrophobicContact CB-CD 4.12Å |
| 640 | M | 93.8 | Very high | 95.9 | Very high | 103 Ų | 103 | 37.4 Ų | 37.4 | 51% | 0.507 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -58.9 | -46.3 | 178.8 | -69 | -64.6 | -110.2 | 0 | 0 | 110.8 | H636 G637 R645 | H636-M640 PolarHBondContact O-N 3Å; G637-M640 WeakPolarHBondContact O-CB 3.43Å; G637-M640 WeakPolarHBondContact O-CG 3.22Å; G637-M640 PolarHBondContact O-N 3.29Å; M640-R645 PolarHBondContact O-NH2 3.09Å |
| 641 | E | 93.8 | Very high | 95.8 | Very high | 58 Ų | 58 | 38.6 Ų | 38.6 | 27% | 0.271 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -86.8 | 128.2 | 178 | -159.9 | 61.3 | -145.7 | 0 | 0 | 111.4 | C639 E643 H644 | C639-E641 VanDerWaalsContact C-N 3.33Å; C639-E641 PolarHBondContact O-N 3.28Å; E641-E643 VanDerWaalsContact C-N 3.27Å; E641-E643 PolarHBondContact O-N 2.73Å; E641-H644 PolarHBondContact O-N 2.66Å; E641-H644 VanDerWaalsContact O-N 3.14Å |
| 642 | P | 93.8 | Very high | 95.6 | Very high | 59 Ų | 59 | 39.9 Ų | 39.9 | 38% | 0.383 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.4 | -38.4 | -179.2 | -28.1 | 36.3 | 0 | 0 | 0 | 114.4 | H644 R645 V682 | P642-H644 PolarHBondContact O-N 2.87Å; P642-R645 WeakPolarHBondContact O-CB 3.39Å; P642-R645 PolarHBondContact O-N 2.88Å; P642-V682 HydrophobicContact CB-CG2 4.35Å |
| 643 | E | 93.5 | Very high | 95.5 | Very high | 134 Ų | 134 | 39.9 Ų | 39.9 | 63% | 0.626 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -62.8 | -29.2 | -178.6 | -59.5 | 178.4 | 177.4 | 0 | 0 | 113 | E641 Y647 | E641-E643 VanDerWaalsContact C-N 3.27Å; E641-E643 PolarHBondContact O-N 2.73Å; E643-Y647 WeakPolarHBondContact O-CD2 3.44Å |
| 644 | H | 95.6 | Very high | 95.4 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -81.5 | -23 | -175.4 | -61.5 | 169.5 | 0 | 0 | 0 | 111.9 | H605 V608 F638 E641 P642 G646 Y647 V648 | H605-H644 AromaticContact ND1-NE2 3.37Å; H605-H644 PolarHBondContact ND1-NE2 3.42Å; V608-H644 HydrophobicContact CG1-CB 4.48Å; V608-H644 HydrophobicContact CG2-CB 4.48Å; F638-H644 WeakPolarHBondContact O-CB 3.4Å; E641-H644 PolarHBondContact O-N 2.66Å; E641-H644 VanDerWaalsContact O-N 3.14Å; P642-H644 PolarHBondContact O-N 2.87Å; H644-G646 PolarHBondContact O-N 3.39Å; H644-Y647 WeakPolarHBondContact O-CB 3.38Å; H644-Y647 PolarHBondContact O-N 3.41Å; H644-V648 WeakPolarHBondContact O-CG2 3.33Å; H644-V648 PolarHBondContact O-N 2.96Å |
| 645 | R | 95.8 | Very high | 95.2 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 7% | 0.068 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.3 | -35.9 | -177.4 | -60.5 | 174.7 | -172.4 | 174.2 | 12.7 | 112 | C639 M640 P642 V648 V649 K678 I679 I683 | C639-R645 HydrophobicContact CB-CG 4.45Å; C639-R645 PolarHBondContact O-NE 2.9Å; C639-R645 PolarHBondContact O-NH2 3.19Å; M640-R645 PolarHBondContact O-NH2 3.09Å; P642-R645 WeakPolarHBondContact O-CB 3.39Å; P642-R645 PolarHBondContact O-N 2.88Å; R645-V648 PolarHBondContact O-N 3.03Å; R645-V649 WeakPolarHBondContact O-CG2 3.18Å; R645-V649 PolarHBondContact O-N 3.13Å; R645-K678 VanDerWaalsContact CD-O 3.27Å; R645-K678 WeakPolarHBondContact CD-O 3.31Å; R645-K678 PolarHBondContact NH1-O 3.32Å; R645-I679 HydrophobicContact CB-CG1 4.28Å; R645-I679 HydrophobicContact CG-CG1 4.47Å; R645-I683 HydrophobicContact CB-CD1 4.17Å |
| 646 | G | 93.8 | Very high | 95.1 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 36% | 0.361 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H644 V649 Q650 | H644-G646 PolarHBondContact O-N 3.39Å; G646-V649 PolarHBondContact O-N 2.99Å; G646-Q650 WeakPolarHBondContact O-CB 3.48Å; G646-Q650 PolarHBondContact O-N 3.46Å |
| 647 | Y | 94.5 | Very high | 95.1 | Very high | 107 Ų | 107 | 44.6 Ų | 44.6 | 42% | 0.42 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.7 | -41.3 | 176.3 | -62.5 | -86 | 0 | 0 | 0 | 111.7 | V608 E643 H644 V649 Q650 D651 | V608-Y647 HydrophobicContact CG1-CG 4.26Å; E643-Y647 WeakPolarHBondContact O-CD2 3.44Å; H644-Y647 WeakPolarHBondContact O-CB 3.38Å; H644-Y647 PolarHBondContact O-N 3.41Å; Y647-V649 VanDerWaalsContact C-N 3.3Å; Y647-V649 PolarHBondContact O-N 3.3Å; Y647-Q650 PolarHBondContact O-N 2.95Å; Y647-D651 WeakPolarHBondContact O-CB 3.46Å; Y647-D651 PolarHBondContact O-N 2.77Å |
| 648 | V | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -41 | 176.1 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | V613 F638 H644 R645 G653 I679 | V613-V648 HydrophobicContact CG2-CG2 4.02Å; F638-V648 HydrophobicContact CB-CG2 3.75Å; H644-V648 WeakPolarHBondContact O-CG2 3.33Å; H644-V648 PolarHBondContact O-N 2.96Å; R645-V648 PolarHBondContact O-N 3.03Å; V648-G653 WeakPolarHBondContact O-CA 3.44Å; V648-G653 PolarHBondContact O-N 3.13Å; V648-I679 HydrophobicContact CG1-CD1 4.1Å |
| 649 | V | 95.7 | Very high | 94.9 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 19% | 0.188 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.7 | -48 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | R645 G646 Y647 D651 G652 A654 I679 I683 A688 | R645-V649 WeakPolarHBondContact O-CG2 3.18Å; R645-V649 PolarHBondContact O-N 3.13Å; G646-V649 PolarHBondContact O-N 2.99Å; Y647-V649 VanDerWaalsContact C-N 3.3Å; Y647-V649 PolarHBondContact O-N 3.3Å; V649-D651 PolarHBondContact O-N 3.38Å; V649-G652 PolarHBondContact O-N 3.4Å; V649-A654 HydrophobicContact CG2-CB 4.26Å; V649-I679 HydrophobicContact CG2-CD1 4.36Å; V649-I679 HydrophobicContact CG2-CG2 3.57Å; V649-I683 HydrophobicContact CB-CD1 4.48Å; V649-I683 HydrophobicContact CG2-CD1 3.86Å; V649-A688 HydrophobicContact CG2-CB 4.2Å |
| 650 | Q | 94 | Very high | 94.8 | Very high | 154 Ų | 154 | 49.4 Ų | 49.4 | 72% | 0.72 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -58.4 | -43.7 | -177.3 | -179.6 | 179.2 | -17.9 | 0 | 0 | 112.6 | G646 Y647 G652 | G646-Q650 WeakPolarHBondContact O-CB 3.48Å; G646-Q650 PolarHBondContact O-N 3.46Å; Y647-Q650 PolarHBondContact O-N 2.95Å; Q650-G652 PolarHBondContact O-N 3.37Å |
| 651 | D | 93.6 | Very high | 94.8 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -6.8 | 179.5 | -82.4 | 16.6 | 0 | 0 | 0 | 112.9 | V613 S614 I617 Y647 V649 | V613-D651 HydrophobicContact CB-CB 3.78Å; V613-D651 HydrophobicContact CG1-CB 3.55Å; S614-D651 PolarHBondContact OG-OD2 2.93Å; I617-D651 WeakPolarHBondContact CD1-O 3.42Å; Y647-D651 WeakPolarHBondContact O-CB 3.46Å; Y647-D651 PolarHBondContact O-N 2.77Å; V649-D651 PolarHBondContact O-N 3.38Å |
| 652 | G | 93.5 | Very high | 94.6 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 27% | 0.268 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 12.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V649 Q650 A654 K655 L656 | V649-G652 PolarHBondContact O-N 3.4Å; Q650-G652 PolarHBondContact O-N 3.37Å; G652-A654 VanDerWaalsContact C-N 3.3Å; G652-A654 PolarHBondContact O-N 3.09Å; G652-K655 WeakPolarHBondContact O-CB 3.45Å; G652-K655 PolarHBondContact O-N 3.35Å; G652-K655 VanDerWaalsContact O-N 3.15Å; G652-L656 PolarHBondContact O-N 2.87Å |
| 653 | G | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -34 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V648 K655 L656 L657 | V648-G653 WeakPolarHBondContact O-CA 3.44Å; V648-G653 PolarHBondContact O-N 3.13Å; G653-K655 VanDerWaalsContact C-N 3.3Å; G653-K655 PolarHBondContact O-N 3.13Å; G653-L656 WeakPolarHBondContact O-CB 3.44Å; G653-L656 PolarHBondContact O-N 2.76Å; G653-L656 VanDerWaalsContact O-N 3.15Å; G653-L657 WeakPolarHBondContact O-CG 3.08Å; G653-L657 PolarHBondContact O-N 2.82Å |
| 654 | A | 95.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -38.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V649 G652 L656 L657 L658 L676 L689 | V649-A654 HydrophobicContact CG2-CB 4.26Å; G652-A654 VanDerWaalsContact C-N 3.3Å; G652-A654 PolarHBondContact O-N 3.09Å; A654-L656 VanDerWaalsContact C-N 3.35Å; A654-L657 PolarHBondContact O-N 2.89Å; A654-L658 WeakPolarHBondContact O-CG 3.43Å; A654-L658 PolarHBondContact O-N 3.29Å; A654-L658 VanDerWaalsContact O-N 3.08Å; A654-L676 HydrophobicContact CB-CD2 4.39Å; A654-L689 HydrophobicContact CB-CD2 4.11Å |
| 655 | K | 94.1 | Very high | 93.8 | Very high | 132 Ų | 132 | 41.1 Ų | 41.1 | 57% | 0.574 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -66.1 | -39 | 175.6 | -174.6 | -174 | 176.6 | -171.8 | 0 | 111.4 | G652 G653 K659 | G652-K655 WeakPolarHBondContact O-CB 3.45Å; G652-K655 PolarHBondContact O-N 3.35Å; G652-K655 VanDerWaalsContact O-N 3.15Å; G653-K655 VanDerWaalsContact C-N 3.3Å; G653-K655 PolarHBondContact O-N 3.13Å; K655-K659 PolarHBondContact O-N 3.04Å |
| 656 | L | 95.7 | Very high | 93.5 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -44.6 | 175.1 | 173.4 | 55 | 0 | 0 | 0 | 111.2 | C616 I617 L635 G652 G653 A654 L658 K659 L660 | C616-L656 HydrophobicContact CB-CD2 4.16Å; I617-L656 HydrophobicContact CG1-CB 4.36Å; I617-L656 HydrophobicContact CG1-CD2 3.94Å; L635-L656 HydrophobicContact CD1-CB 4.47Å; L635-L656 HydrophobicContact CD1-CD2 3.7Å; L635-L656 HydrophobicContact CD1-CG 3.89Å; G652-L656 PolarHBondContact O-N 2.87Å; G653-L656 WeakPolarHBondContact O-CB 3.44Å; G653-L656 PolarHBondContact O-N 2.76Å; G653-L656 VanDerWaalsContact O-N 3.15Å; A654-L656 VanDerWaalsContact C-N 3.35Å; L656-L658 VanDerWaalsContact C-N 3.3Å; L656-L658 PolarHBondContact O-N 3.49Å; L656-K659 WeakPolarHBondContact O-CA 3.34Å; L656-K659 WeakPolarHBondContact O-CB 3.47Å; L656-K659 PolarHBondContact O-N 3.13Å; L656-L660 HydrophobicContact CD1-CD1 3.94Å; L656-L660 HydrophobicContact CD1-CD2 4.45Å; L656-L660 HydrophobicContact CD1-CG 3.95Å; L656-L660 HydrophobicContact CG-CD1 3.82Å; L656-L660 HydrophobicContact CG-CG 4.32Å; L656-L660 WeakPolarHBondContact O-CG 3.41Å; L656-L660 PolarHBondContact O-N 3.46Å |
| 657 | L | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.8 | -41.3 | 176.5 | -73 | 169.9 | 0 | 0 | 0 | 112 | L635 G653 A654 K659 L660 V661 A672 A675 L676 I679 | L635-L657 HydrophobicContact CB-CD2 3.8Å; L635-L657 HydrophobicContact CB-CG 4.34Å; L635-L657 HydrophobicContact CD1-CD2 3.79Å; L635-L657 HydrophobicContact CD1-CG 3.97Å; L635-L657 HydrophobicContact CG-CD2 4.46Å; G653-L657 WeakPolarHBondContact O-CG 3.08Å; G653-L657 PolarHBondContact O-N 2.82Å; A654-L657 PolarHBondContact O-N 2.89Å; L657-K659 VanDerWaalsContact C-N 3.33Å; L657-K659 PolarHBondContact O-N 3.08Å; L657-L660 PolarHBondContact O-N 3.35Å; L657-L660 VanDerWaalsContact O-N 3.11Å; L657-V661 VanDerWaalsContact O-CG2 3.32Å; L657-V661 WeakPolarHBondContact O-CG2 3.41Å; L657-V661 PolarHBondContact O-N 3.07Å; L657-A672 HydrophobicContact CD2-CB 3.95Å; L657-A675 HydrophobicContact CD1-CB 3.85Å; L657-A675 HydrophobicContact CD2-CB 3.87Å; L657-L676 HydrophobicContact CB-CD1 3.92Å; L657-L676 HydrophobicContact CB-CD2 3.69Å; L657-L676 HydrophobicContact CB-CG 3.63Å; L657-L676 HydrophobicContact CD1-CD2 3.94Å; L657-L676 HydrophobicContact CD1-CG 4.02Å; L657-L676 HydrophobicContact CG-CD2 4.48Å; L657-L676 HydrophobicContact CG-CG 4.42Å; L657-I679 HydrophobicContact CD1-CD1 3.85Å |
| 658 | L | 95.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 173.4 | -70.7 | 171.5 | 0 | 0 | 0 | 112.7 | A654 L656 L660 V661 T662 L676 L689 R693 E696 I697 | A654-L658 WeakPolarHBondContact O-CG 3.43Å; A654-L658 PolarHBondContact O-N 3.29Å; A654-L658 VanDerWaalsContact O-N 3.08Å; L656-L658 VanDerWaalsContact C-N 3.3Å; L656-L658 PolarHBondContact O-N 3.49Å; L658-L660 VanDerWaalsContact C-N 3.33Å; L658-L660 PolarHBondContact O-N 2.74Å; L658-V661 PolarHBondContact O-N 3.32Å; L658-T662 PolarHBondContact O-N 3.08Å; L658-T662 PolarHBondContact O-OG1 3.36Å; L658-L676 HydrophobicContact CD2-CD1 3.97Å; L658-L676 HydrophobicContact CG-CD1 4.38Å; L658-L689 HydrophobicContact CD1-CD2 3.95Å; L658-L689 HydrophobicContact CD2-CD2 4.38Å; L658-L689 HydrophobicContact CG-CD2 4.2Å; L658-R693 HydrophobicContact CD1-CB 3.83Å; L658-R693 HydrophobicContact CD1-CG 3.88Å; L658-E696 HydrophobicContact CD2-CB 4.43Å; L658-I697 HydrophobicContact CD2-CB 4.32Å |
| 659 | K | 93.5 | Very high | 93.2 | Very high | 91 Ų | 91 | 44.9 Ų | 44.9 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 174.2 | -173.6 | -172.2 | 179.5 | -166.5 | 0 | 111.3 | S620 D621 K655 L656 L657 T662 S663 | S620-K659 PolarHBondContact O-NZ 3.23Å; D621-K659 IonicContact OD1-NZ 2.7Å; D621-K659 PolarHBondContact OD1-NZ 3.31Å; K655-K659 PolarHBondContact O-N 3.04Å; L656-K659 WeakPolarHBondContact O-CA 3.34Å; L656-K659 WeakPolarHBondContact O-CB 3.47Å; L656-K659 PolarHBondContact O-N 3.13Å; L657-K659 VanDerWaalsContact C-N 3.33Å; L657-K659 PolarHBondContact O-N 3.08Å; K659-T662 PolarHBondContact O-N 3.43Å; K659-T662 PolarHBondContact O-OG1 3.16Å; K659-S663 PolarHBondContact O-N 3.26Å |
| 660 | L | 96 | Very high | 93.2 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.7 | -32.4 | -179.8 | -66.6 | 169.6 | 0 | 0 | 0 | 112.5 | R628 L631 L635 L656 L657 L658 T662 S663 N664 A672 | R628-L660 HydrophobicContact CB-CD2 3.7Å; R628-L660 HydrophobicContact CG-CD2 3.91Å; L631-L660 HydrophobicContact CB-CD1 4.19Å; L635-L660 HydrophobicContact CD1-CD1 4.03Å; L656-L660 HydrophobicContact CD1-CD1 3.94Å; L656-L660 HydrophobicContact CD1-CD2 4.45Å; L656-L660 HydrophobicContact CD1-CG 3.95Å; L656-L660 HydrophobicContact CG-CD1 3.82Å; L656-L660 HydrophobicContact CG-CG 4.32Å; L656-L660 WeakPolarHBondContact O-CG 3.41Å; L656-L660 PolarHBondContact O-N 3.46Å; L657-L660 PolarHBondContact O-N 3.35Å; L657-L660 VanDerWaalsContact O-N 3.11Å; L658-L660 VanDerWaalsContact C-N 3.33Å; L658-L660 PolarHBondContact O-N 2.74Å; L660-T662 VanDerWaalsContact C-N 3.28Å; L660-T662 PolarHBondContact O-N 3.46Å; L660-S663 CarbonylContact O-C 3.55Å; L660-N664 WeakPolarHBondContact O-CB 3.46Å; L660-A672 HydrophobicContact CB-CB 3.98Å |
| 661 | V | 94.1 | Very high | 93.3 | Very high | 13 Ų | 13 | 37.7 Ų | 37.7 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.5 | -32.2 | 175.1 | 168.3 | 0 | 0 | 0 | 0 | 112 | L657 L658 K669 A672 A673 L676 P700 | L657-V661 VanDerWaalsContact O-CG2 3.32Å; L657-V661 WeakPolarHBondContact O-CG2 3.41Å; L657-V661 PolarHBondContact O-N 3.07Å; L658-V661 PolarHBondContact O-N 3.32Å; V661-K669 WeakPolarHBondContact O-CD 3.47Å; V661-K669 WeakPolarHBondContact O-CE 3.48Å; V661-K669 VanDerWaalsContact O-CG 3.31Å; V661-K669 WeakPolarHBondContact O-CG 3.46Å; V661-A672 HydrophobicContact CG2-CB 3.58Å; V661-A673 HydrophobicContact CG2-CB 4.17Å; V661-L676 HydrophobicContact CG2-CD1 3.92Å; V661-P700 HydrophobicContact CG1-CB 3.38Å; V661-P700 HydrophobicContact CG1-CG 3.12Å |
| 662 | T | 89.4 | Confident | 93.5 | Very high | 89 Ų | 89 | 35 Ų | 35 | 55% | 0.546 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -84.2 | -44.6 | 178.7 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | L658 K659 L660 K669 | L658-T662 PolarHBondContact O-N 3.08Å; L658-T662 PolarHBondContact O-OG1 3.36Å; K659-T662 PolarHBondContact O-N 3.43Å; K659-T662 PolarHBondContact O-OG1 3.16Å; L660-T662 VanDerWaalsContact C-N 3.28Å; L660-T662 PolarHBondContact O-N 3.46Å; T662-K669 WeakPolarHBondContact O-CE 3.37Å; T662-K669 PolarHBondContact O-NZ 3.13Å; T662-K669 VanDerWaalsContact O-NZ 3.11Å |
| 663 | S | 86.5 | Confident | 93.7 | Very high | 63 Ų | 63 | 33.9 Ų | 33.9 | 44% | 0.441 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -123.9 | 93.2 | -176.7 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | R628 K659 L660 | R628-S663 WeakPolarHBondContact CD-O 3.38Å; R628-S663 PolarHBondContact NH1-O 3.33Å; R628-S663 PolarHBondContact NH1-OG 3.37Å; K659-S663 PolarHBondContact O-N 3.26Å; L660-S663 CarbonylContact O-C 3.55Å |
| 664 | N | 91 | Very high | 93.8 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.032 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -167.3 | 177.9 | 174.6 | -158.1 | -5.6 | 0 | 0 | 0 | 111.5 | E625 R628 E629 S632 L660 K669 | E625-N664 PolarHBondContact O-OD1 2.9Å; R628-N664 VanDerWaalsContact C-ND2 3.25Å; R628-N664 HydrophobicContact CB-CB 4.37Å; R628-N664 WeakPolarHBondContact CB-OD1 3.5Å; R628-N664 VanDerWaalsContact NH1-CA 3.34Å; R628-N664 VanDerWaalsContact NH1-N 3.19Å; R628-N664 PolarHBondContact O-ND2 3.15Å; E629-N664 PolarHBondContact N-OD1 3.15Å; E629-N664 VanDerWaalsContact N-OD1 3.12Å; S632-N664 PolarHBondContact OG-ND2 3.34Å; L660-N664 WeakPolarHBondContact O-CB 3.46Å; N664-K669 HydrophobicContact CB-CG 3.91Å; N664-K669 WeakPolarHBondContact O-CE 3.21Å |
| 665 | S | 88.5 | Confident | 93.9 | Very high | 16 Ų | 16 | 34.5 Ų | 34.5 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | trans | -59.3 | 156.3 | 167.4 | 74.7 | 0 | 0 | 0 | 0 | 110.8 | E629 V667 G668 K669 | E629-S665 PolarHBondContact OE2-OG 2.76Å; S665-V667 PolarHBondContact O-N 3.02Å; S665-G668 PolarHBondContact O-N 3.01Å; S665-G668 VanDerWaalsContact O-N 3.15Å; S665-G668 PolarHBondContact OG-N 3.26Å; S665-K669 WeakPolarHBondContact O-CB 3.3Å; S665-K669 VanDerWaalsContact O-CG 3.3Å; S665-K669 WeakPolarHBondContact O-CG 3.48Å; S665-K669 PolarHBondContact O-N 3.37Å | ||
| 666 | A | 88.6 | Confident | 94.1 | Very high | 85 Ų | 85 | 28.2 Ų | 28.2 | 70% | 0.702 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -56.9 | -38.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A670 | A666-A670 PolarHBondContact O-N 2.86Å |
| 667 | V | 91.1 | Very high | 94.1 | Very high | 73 Ų | 73 | 27.8 Ų | 27.8 | 44% | 0.442 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.8 | -49.3 | 175.4 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | S665 K669 A670 I671 | S665-V667 PolarHBondContact O-N 3.02Å; V667-K669 VanDerWaalsContact C-N 3.32Å; V667-K669 PolarHBondContact O-N 3.37Å; V667-A670 PolarHBondContact O-N 3.42Å; V667-I671 HydrophobicContact CG1-CD1 3.8Å; V667-I671 HydrophobicContact CG1-CG1 4.47Å; V667-I671 WeakPolarHBondContact O-CG1 3.39Å; V667-I671 PolarHBondContact O-N 2.97Å |
| 668 | G | 93.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.6 | -37.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S632 S665 I671 A672 | S632-G668 WeakPolarHBondContact CB-O 3.23Å; S632-G668 PolarHBondContact OG-O 3.35Å; S665-G668 PolarHBondContact O-N 3.01Å; S665-G668 VanDerWaalsContact O-N 3.15Å; S665-G668 PolarHBondContact OG-N 3.26Å; G668-I671 PolarHBondContact O-N 3.15Å; G668-A672 VanDerWaalsContact O-CB 3.28Å; G668-A672 WeakPolarHBondContact O-CB 3.32Å; G668-A672 PolarHBondContact O-N 3.28Å |
| 669 | K | 95.7 | Very high | 94.3 | Very high | 81 Ų | 81 | 27.6 Ų | 27.6 | 35% | 0.352 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 174.3 | -72.5 | -178.7 | 172.6 | 176.7 | 0 | 112 | V661 T662 N664 S665 V667 A672 A673 | V661-K669 WeakPolarHBondContact O-CD 3.47Å; V661-K669 WeakPolarHBondContact O-CE 3.48Å; V661-K669 VanDerWaalsContact O-CG 3.31Å; V661-K669 WeakPolarHBondContact O-CG 3.46Å; T662-K669 WeakPolarHBondContact O-CE 3.37Å; T662-K669 PolarHBondContact O-NZ 3.13Å; T662-K669 VanDerWaalsContact O-NZ 3.11Å; N664-K669 HydrophobicContact CB-CG 3.91Å; N664-K669 WeakPolarHBondContact O-CE 3.21Å; S665-K669 WeakPolarHBondContact O-CB 3.3Å; S665-K669 VanDerWaalsContact O-CG 3.3Å; S665-K669 WeakPolarHBondContact O-CG 3.48Å; S665-K669 PolarHBondContact O-N 3.37Å; V667-K669 VanDerWaalsContact C-N 3.32Å; V667-K669 PolarHBondContact O-N 3.37Å; K669-A672 PolarHBondContact O-N 3.25Å; K669-A673 WeakPolarHBondContact O-CB 3.34Å; K669-A673 PolarHBondContact O-N 3.38Å |
| 670 | A | 94.7 | Very high | 94.4 | Very high | 12 Ų | 12 | 23.3 Ų | 23.3 | 10% | 0.099 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.3 | -45.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A666 V667 A672 A673 Q674 L704 | A666-A670 PolarHBondContact O-N 2.86Å; V667-A670 PolarHBondContact O-N 3.42Å; A670-A672 VanDerWaalsContact C-N 3.34Å; A670-A672 PolarHBondContact O-N 3.29Å; A670-A673 WeakPolarHBondContact O-CB 3.29Å; A670-A673 PolarHBondContact O-N 3.17Å; A670-Q674 PolarHBondContact O-N 3.44Å; A670-L704 HydrophobicContact CB-CD2 4.08Å |
| 671 | I | 96.1 | Very high | 94.4 | Very high | 21 Ų | 21 | 25.2 Ų | 25.2 | 11% | 0.108 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.2 | -43.3 | 177 | -66.3 | 172.1 | 0 | 0 | 0 | 111 | S632 R633 H636 V667 G668 A673 Q674 A675 | S632-I671 WeakPolarHBondContact O-CG2 3.48Å; R633-I671 HydrophobicContact CG-CD1 3.81Å; H636-I671 HydrophobicContact CB-CG2 3.49Å; H636-I671 VanDerWaalsContact CB-CG2 3.49Å; V667-I671 HydrophobicContact CG1-CD1 3.8Å; V667-I671 HydrophobicContact CG1-CG1 4.47Å; V667-I671 WeakPolarHBondContact O-CG1 3.39Å; V667-I671 PolarHBondContact O-N 2.97Å; G668-I671 PolarHBondContact O-N 3.15Å; I671-A673 VanDerWaalsContact C-N 3.35Å; I671-Q674 PolarHBondContact O-N 3.28Å; I671-A675 WeakPolarHBondContact O-CB 3.42Å; I671-A675 PolarHBondContact O-N 3.41Å |
| 672 | A | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.7 | -38 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L657 L660 V661 G668 K669 A670 A675 L676 | L657-A672 HydrophobicContact CD2-CB 3.95Å; L660-A672 HydrophobicContact CB-CB 3.98Å; V661-A672 HydrophobicContact CG2-CB 3.58Å; G668-A672 VanDerWaalsContact O-CB 3.28Å; G668-A672 WeakPolarHBondContact O-CB 3.32Å; G668-A672 PolarHBondContact O-N 3.28Å; K669-A672 PolarHBondContact O-N 3.25Å; A670-A672 VanDerWaalsContact C-N 3.34Å; A670-A672 PolarHBondContact O-N 3.29Å; A672-A675 PolarHBondContact O-N 3.26Å; A672-L676 PolarHBondContact O-N 2.94Å; A672-L676 VanDerWaalsContact O-N 3.08Å |
| 673 | A | 97.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V661 K669 A670 I671 L676 A677 P700 L704 | V661-A673 HydrophobicContact CG2-CB 4.17Å; K669-A673 WeakPolarHBondContact O-CB 3.34Å; K669-A673 PolarHBondContact O-N 3.38Å; A670-A673 WeakPolarHBondContact O-CB 3.29Å; A670-A673 PolarHBondContact O-N 3.17Å; I671-A673 VanDerWaalsContact C-N 3.35Å; A673-L676 PolarHBondContact O-N 2.96Å; A673-A677 PolarHBondContact O-N 2.82Å; A673-P700 HydrophobicContact CB-CB 3.98Å; A673-L704 HydrophobicContact CB-CD1 3.94Å; A673-L704 HydrophobicContact CB-CD2 4.48Å; A673-L704 HydrophobicContact CB-CG 4.26Å |
| 674 | Q | 97.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 26.7 Ų | 26.7 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.8 | -173.3 | -178.1 | 13.4 | 0 | 0 | 111.7 | H636 A670 I671 L676 A677 K678 L704 E713 E716 | H636-Q674 PolarHBondContact NE2-OE1 3.29Å; A670-Q674 PolarHBondContact O-N 3.44Å; I671-Q674 PolarHBondContact O-N 3.28Å; Q674-L676 VanDerWaalsContact C-N 3.31Å; Q674-L676 PolarHBondContact O-N 3.5Å; Q674-A677 VanDerWaalsContact O-CB 3.3Å; Q674-A677 WeakPolarHBondContact O-CB 3.49Å; Q674-A677 PolarHBondContact O-N 3.12Å; Q674-A677 VanDerWaalsContact O-N 3.13Å; Q674-K678 WeakPolarHBondContact O-CG 3.36Å; Q674-K678 PolarHBondContact O-N 3.48Å; Q674-L704 HydrophobicContact CB-CD1 4.23Å; Q674-E713 VanDerWaalsContact CD-CG 3.44Å; Q674-E713 HydrophobicContact CG-CG 4.27Å; Q674-E716 WeakPolarHBondContact CG-OE2 3.3Å; Q674-E716 PolarHBondContact NE2-OE2 3.44Å |
| 675 | A | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H636 C639 L657 I671 A672 K678 I679 | H636-A675 HydrophobicContact CB-CB 4.03Å; C639-A675 HydrophobicContact CB-CB 4.45Å; L657-A675 HydrophobicContact CD1-CB 3.85Å; L657-A675 HydrophobicContact CD2-CB 3.87Å; I671-A675 WeakPolarHBondContact O-CB 3.42Å; I671-A675 PolarHBondContact O-N 3.41Å; A672-A675 PolarHBondContact O-N 3.26Å; A675-K678 PolarHBondContact O-N 3.47Å; A675-I679 WeakPolarHBondContact O-CG1 3.46Å; A675-I679 PolarHBondContact O-N 3.04Å |
| 676 | L | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.6 | -36.6 | 173.7 | -70.7 | 166 | 0 | 0 | 0 | 112.6 | A654 L657 L658 V661 A672 A673 Q674 K678 I679 C680 L689 I697 | A654-L676 HydrophobicContact CB-CD2 4.39Å; L657-L676 HydrophobicContact CB-CD1 3.92Å; L657-L676 HydrophobicContact CB-CD2 3.69Å; L657-L676 HydrophobicContact CB-CG 3.63Å; L657-L676 HydrophobicContact CD1-CD2 3.94Å; L657-L676 HydrophobicContact CD1-CG 4.02Å; L657-L676 HydrophobicContact CG-CD2 4.48Å; L657-L676 HydrophobicContact CG-CG 4.42Å; L658-L676 HydrophobicContact CD2-CD1 3.97Å; L658-L676 HydrophobicContact CG-CD1 4.38Å; V661-L676 HydrophobicContact CG2-CD1 3.92Å; A672-L676 PolarHBondContact O-N 2.94Å; A672-L676 VanDerWaalsContact O-N 3.08Å; A673-L676 PolarHBondContact O-N 2.96Å; Q674-L676 VanDerWaalsContact C-N 3.31Å; Q674-L676 PolarHBondContact O-N 3.5Å; L676-K678 VanDerWaalsContact C-N 3.32Å; L676-K678 PolarHBondContact O-N 3.21Å; L676-I679 HydrophobicContact CD2-CD1 4.47Å; L676-I679 WeakPolarHBondContact O-CB 3.48Å; L676-I679 PolarHBondContact O-N 3.31Å; L676-I679 VanDerWaalsContact O-N 3.14Å; L676-C680 PolarHBondContact O-N 3.4Å; L676-C680 PolarHBondContact O-SG 3.29Å; L676-L689 HydrophobicContact CD2-CD2 4.03Å; L676-I697 HydrophobicContact CB-CD1 3.29Å; L676-I697 HydrophobicContact CB-CG1 4.37Å; L676-I697 HydrophobicContact CD1-CD1 3.81Å; L676-I697 HydrophobicContact CD1-CG1 4.23Å; L676-I697 HydrophobicContact CG-CD1 4.06Å |
| 677 | A | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.3 | -50.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A673 Q674 I679 C680 I681 L701 E716 A720 | A673-A677 PolarHBondContact O-N 2.82Å; Q674-A677 VanDerWaalsContact O-CB 3.3Å; Q674-A677 WeakPolarHBondContact O-CB 3.49Å; Q674-A677 PolarHBondContact O-N 3.12Å; Q674-A677 VanDerWaalsContact O-N 3.13Å; A677-I679 VanDerWaalsContact C-N 3.29Å; A677-I679 PolarHBondContact O-N 2.89Å; A677-C680 PolarHBondContact O-N 3.35Å; A677-C680 VanDerWaalsContact O-N 3.14Å; A677-I681 VanDerWaalsContact O-CG1 3.23Å; A677-I681 WeakPolarHBondContact O-CG1 3.05Å; A677-I681 PolarHBondContact O-N 3.48Å; A677-L701 HydrophobicContact CB-CD2 3.55Å; A677-E716 HydrophobicContact CB-CB 4.37Å; A677-A720 HydrophobicContact CB-CB 3.83Å |
| 678 | K | 97.9 | Very high | 94.8 | Very high | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.035 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.3 | -42.9 | 175.4 | -70.1 | 175.8 | -172 | -74.5 | 0 | 112.4 | H636 C639 R645 Q674 A675 L676 E716 | H636-K678 WeakPolarHBondContact NE2-CE 3.34Å; C639-K678 HydrophobicContact CB-CB 4.21Å; C639-K678 HydrophobicContact CB-CD 4.12Å; R645-K678 VanDerWaalsContact CD-O 3.27Å; R645-K678 WeakPolarHBondContact CD-O 3.31Å; R645-K678 PolarHBondContact NH1-O 3.32Å; Q674-K678 WeakPolarHBondContact O-CG 3.36Å; Q674-K678 PolarHBondContact O-N 3.48Å; A675-K678 PolarHBondContact O-N 3.47Å; L676-K678 VanDerWaalsContact C-N 3.32Å; L676-K678 PolarHBondContact O-N 3.21Å; K678-E716 VanDerWaalsContact CE-OE2 3.29Å; K678-E716 WeakPolarHBondContact CE-OE2 3.26Å; K678-E716 VanDerWaalsContact NZ-CD 3.25Å; K678-E716 IonicContact NZ-OE1 3Å; K678-E716 PolarHBondContact NZ-OE1 3.03Å; K678-E716 IonicContact NZ-OE2 3.62Å; K678-E716 PolarHBondContact NZ-OE2 3.49Å; K678-E716 VanDerWaalsContact NZ-OE2 3.12Å |
| 679 | I | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.8 | -51.9 | 176.2 | -69.3 | 169.3 | 0 | 0 | 0 | 110.8 | R645 V648 V649 L657 A675 L676 A677 I681 V682 I683 A688 | R645-I679 HydrophobicContact CB-CG1 4.28Å; R645-I679 HydrophobicContact CG-CG1 4.47Å; V648-I679 HydrophobicContact CG1-CD1 4.1Å; V649-I679 HydrophobicContact CG2-CD1 4.36Å; V649-I679 HydrophobicContact CG2-CG2 3.57Å; L657-I679 HydrophobicContact CD1-CD1 3.85Å; A675-I679 WeakPolarHBondContact O-CG1 3.46Å; A675-I679 PolarHBondContact O-N 3.04Å; L676-I679 HydrophobicContact CD2-CD1 4.47Å; L676-I679 WeakPolarHBondContact O-CB 3.48Å; L676-I679 PolarHBondContact O-N 3.31Å; L676-I679 VanDerWaalsContact O-N 3.14Å; A677-I679 VanDerWaalsContact C-N 3.29Å; A677-I679 PolarHBondContact O-N 2.89Å; I679-I681 PolarHBondContact O-N 3.45Å; I679-V682 PolarHBondContact O-N 2.94Å; I679-V682 VanDerWaalsContact O-N 3.16Å; I679-I683 HydrophobicContact CG2-CD1 4.36Å; I679-I683 PolarHBondContact O-N 3.06Å; I679-A688 HydrophobicContact CG2-CB 3.73Å |
| 680 | C | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.5 | -19.6 | -177.4 | -69.4 | 0 | 0 | 0 | 0 | 114.3 | L676 A677 P685 A720 N723 | L676-C680 PolarHBondContact O-N 3.4Å; L676-C680 PolarHBondContact O-SG 3.29Å; A677-C680 PolarHBondContact O-N 3.35Å; A677-C680 VanDerWaalsContact O-N 3.14Å; C680-P685 HydrophobicContact CB-CG 4.29Å; C680-A720 HydrophobicContact CB-CB 4.1Å; C680-N723 PolarHBondContact O-ND2 3.14Å |
| 681 | I | 95.7 | Very high | 93.6 | Very high | 43 Ų | 43 | 28.6 Ų | 28.6 | 22% | 0.221 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.3 | -37.9 | 172.8 | -69.5 | 165.9 | 0 | 0 | 0 | 111.3 | A677 I679 E716 L719 A720 N723 | A677-I681 VanDerWaalsContact O-CG1 3.23Å; A677-I681 WeakPolarHBondContact O-CG1 3.05Å; A677-I681 PolarHBondContact O-N 3.48Å; I679-I681 PolarHBondContact O-N 3.45Å; I681-E716 HydrophobicContact CD1-CB 3.92Å; I681-E716 HydrophobicContact CD1-CG 4.07Å; I681-E716 WeakPolarHBondContact CD1-O 3.14Å; I681-L719 HydrophobicContact CD1-CB 3.94Å; I681-L719 HydrophobicContact CD1-CD1 4.3Å; I681-L719 HydrophobicContact CG1-CB 3.73Å; I681-L719 HydrophobicContact CG2-CD1 4.44Å; I681-A720 HydrophobicContact CG1-CB 4.23Å; I681-N723 WeakPolarHBondContact CA-ND2 3.37Å; I681-N723 PolarHBondContact O-ND2 2.92Å; I681-N723 VanDerWaalsContact O-ND2 3.09Å |
| 682 | V | 93.7 | Very high | 93.1 | Very high | 77 Ų | 77 | 34.1 Ų | 34.1 | 47% | 0.467 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -103.2 | -35.1 | -171 | 172.2 | 0 | 0 | 0 | 0 | 112.6 | P642 I679 | P642-V682 HydrophobicContact CB-CG2 4.35Å; I679-V682 PolarHBondContact O-N 2.94Å; I679-V682 VanDerWaalsContact O-N 3.16Å |
| 683 | I | 94.2 | Very high | 92.6 | Very high | 32 Ų | 32 | 37.9 Ų | 37.9 | 16% | 0.164 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -108.1 | 134.8 | -177.3 | -57.5 | 175.3 | 0 | 0 | 0 | 108.1 | R645 V649 I679 P685 I687 A688 | R645-I683 HydrophobicContact CB-CD1 4.17Å; V649-I683 HydrophobicContact CB-CD1 4.48Å; V649-I683 HydrophobicContact CG2-CD1 3.86Å; I679-I683 HydrophobicContact CG2-CD1 4.36Å; I679-I683 PolarHBondContact O-N 3.06Å; I683-P685 WeakPolarHBondContact O-CD 3.41Å; I683-P685 VanDerWaalsContact O-N 3.12Å; I683-I687 HydrophobicContact CG2-CB 4.39Å; I683-I687 HydrophobicContact CG2-CG2 4.5Å; I683-A688 HydrophobicContact CB-CB 4.4Å; I683-A688 HydrophobicContact CG2-CB 3.99Å |
| 684 | D | 92.6 | Very high | 92.1 | Very high | 87 Ų | 87 | 38.1 Ų | 38.1 | 47% | 0.465 | 22% | 0.221 | S | C | . | . | trans | -47.8 | 120.1 | 173 | -175.5 | -25.4 | 0 | 0 | 0 | 110 | A686 I687 A688 | D684-A686 PolarHBondContact O-N 3.41Å; D684-A686 VanDerWaalsContact O-N 3.13Å; D684-A686 WeakPolarHBondContact OD1-CB 3.47Å; D684-A686 PolarHBondContact OD1-N 2.94Å; D684-I687 HydrophobicContact CB-CB 4.49Å; D684-I687 HydrophobicContact CB-CD1 4.04Å; D684-I687 HydrophobicContact CB-CG1 4.12Å; D684-I687 PolarHBondContact O-N 3.22Å; D684-A688 PolarHBondContact O-N 3.15Å | ||
| 685 | P | 90.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.032 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54 | -31.7 | -179.6 | -27.5 | 34.9 | 0 | 0 | 0 | 114.1 | C680 I683 I687 A688 L689 C694 N723 L724 | C680-P685 HydrophobicContact CB-CG 4.29Å; I683-P685 WeakPolarHBondContact O-CD 3.41Å; I683-P685 VanDerWaalsContact O-N 3.12Å; P685-I687 PolarHBondContact O-N 3.35Å; P685-A688 PolarHBondContact O-N 2.9Å; P685-L689 WeakPolarHBondContact O-CA 3.45Å; P685-L689 PolarHBondContact O-N 2.98Å; P685-C694 PolarHBondContact O-SG 3.3Å; P685-N723 HydrophobicContact CG-CB 4.3Å; P685-L724 HydrophobicContact CB-CD2 3.48Å; P685-L724 VanDerWaalsContact CB-CD2 3.48Å; P685-L724 HydrophobicContact CB-CG 4.25Å; P685-L724 HydrophobicContact CG-CD2 3.93Å; P685-L724 HydrophobicContact CG-CG 4.15Å |
| 686 | A | 88.1 | Confident | 91.4 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 48% | 0.479 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.7 | -28.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D684 | D684-A686 PolarHBondContact O-N 3.41Å; D684-A686 VanDerWaalsContact O-N 3.13Å; D684-A686 WeakPolarHBondContact OD1-CB 3.47Å; D684-A686 PolarHBondContact OD1-N 2.94Å |
| 687 | I | 90.2 | Very high | 91.2 | Very high | 119 Ų | 119 | 43.9 Ų | 43.9 | 61% | 0.61 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -85.2 | -46.8 | 175.9 | -58.5 | 177.5 | 0 | 0 | 0 | 110.3 | I683 D684 P685 | I683-I687 HydrophobicContact CG2-CB 4.39Å; I683-I687 HydrophobicContact CG2-CG2 4.5Å; D684-I687 HydrophobicContact CB-CB 4.49Å; D684-I687 HydrophobicContact CB-CD1 4.04Å; D684-I687 HydrophobicContact CB-CG1 4.12Å; D684-I687 PolarHBondContact O-N 3.22Å; P685-I687 PolarHBondContact O-N 3.35Å |
| 688 | A | 90.1 | Very high | 91 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.5 | -37.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V649 I679 I683 D684 P685 | V649-A688 HydrophobicContact CG2-CB 4.2Å; I679-A688 HydrophobicContact CG2-CB 3.73Å; I683-A688 HydrophobicContact CB-CB 4.4Å; I683-A688 HydrophobicContact CG2-CB 3.99Å; D684-A688 PolarHBondContact O-N 3.15Å; P685-A688 PolarHBondContact O-N 2.9Å |
| 689 | L | 90.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -129.7 | 68 | -173.3 | -55.2 | 176.7 | 0 | 0 | 0 | 110.7 | A654 L658 L676 P685 R693 C694 I697 | A654-L689 HydrophobicContact CB-CD2 4.11Å; L658-L689 HydrophobicContact CD1-CD2 3.95Å; L658-L689 HydrophobicContact CD2-CD2 4.38Å; L658-L689 HydrophobicContact CG-CD2 4.2Å; L676-L689 HydrophobicContact CD2-CD2 4.03Å; P685-L689 WeakPolarHBondContact O-CA 3.45Å; P685-L689 PolarHBondContact O-N 2.98Å; L689-R693 HydrophobicContact CB-CB 3.95Å; L689-C694 PolarHBondContact O-SG 2.96Å; L689-I697 HydrophobicContact CD1-CB 4.32Å; L689-I697 HydrophobicContact CD1-CD1 3.92Å; L689-I697 HydrophobicContact CD1-CG2 3.78Å |
| 690 | P | 85.5 | Confident | 90.7 | Very high | 65 Ų | 65 | 54.6 Ų | 54.6 | 42% | 0.422 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 146.3 | -170.9 | 26.9 | -35.7 | 0 | 0 | 0 | 113.1 | ||
| 691 | G | 82.5 | Confident | 90.8 | Very high | 62 Ų | 62 | 54.6 Ų | 54.6 | 64% | 0.639 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | -138.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R693 | G691-R693 PolarHBondContact O-N 3.42Š|
| 692 | Q | 84.9 | Confident | 90.9 | Very high | 136 Ų | 136 | 53.4 Ų | 53.4 | 64% | 0.636 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -1.1 | -177.3 | -68.1 | -65.1 | -51.5 | 0 | 0 | 114 | C694 H695 | Q692-C694 VanDerWaalsContact C-N 3.29Å; Q692-C694 PolarHBondContact O-N 2.71Å; Q692-H695 WeakPolarHBondContact O-CB 3.3Å; Q692-H695 PolarHBondContact O-N 3.23Å; Q692-H695 PolarHBondContact OE1-CD2 2.61Å |
| 693 | R | 86.7 | Confident | 90.9 | Very high | 80 Ų | 80 | 52 Ų | 52 | 30% | 0.302 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.8 | -29 | -176 | -67.8 | 179.6 | -178 | 174.2 | 9.4 | 113.2 | L658 L689 G691 H695 E696 | L658-R693 HydrophobicContact CD1-CB 3.83Å; L658-R693 HydrophobicContact CD1-CG 3.88Å; L689-R693 HydrophobicContact CB-CB 3.95Å; G691-R693 PolarHBondContact O-N 3.42Å; R693-H695 PolarHBondContact O-N 3.07Å; R693-E696 PolarHBondContact O-N 3.43Å; R693-E696 VanDerWaalsContact O-N 3.16Å |
| 694 | C | 88.3 | Confident | 91 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.4 | -29.7 | 172.2 | -68.3 | 0 | 0 | 0 | 0 | 112.8 | P685 L689 Q692 I697 I698 L724 I731 | P685-C694 PolarHBondContact O-SG 3.3Å; L689-C694 PolarHBondContact O-SG 2.96Å; Q692-C694 VanDerWaalsContact C-N 3.29Å; Q692-C694 PolarHBondContact O-N 2.71Å; C694-I697 WeakPolarHBondContact O-CG2 3.45Å; C694-I698 WeakPolarHBondContact O-CG1 3.44Å; C694-L724 HydrophobicContact CB-CD2 4.07Å; C694-I731 HydrophobicContact CB-CD1 3.76Å; C694-I731 HydrophobicContact CB-CG1 4.48Å |
| 695 | H | 90.9 | Very high | 91.1 | Very high | 35 Ų | 35 | 47 Ų | 47 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -75.6 | -32.5 | 178 | -64 | -89.9 | 0 | 0 | 0 | 112.2 | Q692 R693 I697 I698 S730 T734 | Q692-H695 WeakPolarHBondContact O-CB 3.3Å; Q692-H695 PolarHBondContact O-N 3.23Å; Q692-H695 PolarHBondContact OE1-CD2 2.61Å; R693-H695 PolarHBondContact O-N 3.07Å; H695-I697 VanDerWaalsContact C-N 3.28Å; H695-I697 PolarHBondContact O-N 2.86Å; H695-I698 PolarHBondContact O-N 2.68Å; H695-S730 PolarHBondContact CE1-OG 3.25Å; H695-S730 VanDerWaalsContact CE1-OG 3.3Å; H695-T734 HydrophobicContact CB-CG2 4.38Å; H695-T734 PolarHBondContact CE1-OG1 3.27Å; H695-T734 PolarHBondContact ND1-OG1 3.3Å |
| 696 | E | 89.7 | Confident | 91.1 | Very high | 103 Ų | 103 | 51 Ų | 51 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.7 | -29.2 | -176.4 | -63.5 | 175.6 | -145.1 | 0 | 0 | 112.8 | L658 R693 P700 | L658-E696 HydrophobicContact CD2-CB 4.43Å; R693-E696 PolarHBondContact O-N 3.43Å; R693-E696 VanDerWaalsContact O-N 3.16Å; E696-P700 WeakPolarHBondContact O-CD 3.48Å |
| 697 | I | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -84.8 | -20.4 | -176.7 | -175.3 | 174.6 | 0 | 0 | 0 | 113.8 | L658 L676 L689 C694 H695 R699 P700 L701 L724 | L658-I697 HydrophobicContact CD2-CB 4.32Å; L676-I697 HydrophobicContact CB-CD1 3.29Å; L676-I697 HydrophobicContact CB-CG1 4.37Å; L676-I697 HydrophobicContact CD1-CD1 3.81Å; L676-I697 HydrophobicContact CD1-CG1 4.23Å; L676-I697 HydrophobicContact CG-CD1 4.06Å; L689-I697 HydrophobicContact CD1-CB 4.32Å; L689-I697 HydrophobicContact CD1-CD1 3.92Å; L689-I697 HydrophobicContact CD1-CG2 3.78Å; C694-I697 WeakPolarHBondContact O-CG2 3.45Å; H695-I697 VanDerWaalsContact C-N 3.28Å; H695-I697 PolarHBondContact O-N 2.86Å; I697-R699 PolarHBondContact O-N 3.17Å; I697-P700 WeakPolarHBondContact O-CB 3.49Å; I697-P700 VanDerWaalsContact O-CD 3.23Å; I697-P700 WeakPolarHBondContact O-CD 3.48Å; I697-L701 HydrophobicContact CD1-CD1 3.88Å; I697-L701 HydrophobicContact CD1-CD2 4.43Å; I697-L701 HydrophobicContact CD1-CG 4.16Å; I697-L701 HydrophobicContact CG1-CD1 3.71Å; I697-L701 HydrophobicContact CG1-CD2 4.39Å; I697-L701 HydrophobicContact CG1-CG 3.72Å; I697-L701 WeakPolarHBondContact O-CG 3.41Å; I697-L701 PolarHBondContact O-N 3.32Å; I697-L724 HydrophobicContact CG2-CD1 4.12Å |
| 698 | I | 94.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.9 | -55.3 | -173.3 | -70.4 | 166.6 | 0 | 0 | 0 | 111.8 | C694 H695 L701 V702 I731 T734 M735 A738 | C694-I698 WeakPolarHBondContact O-CG1 3.44Å; H695-I698 PolarHBondContact O-N 2.68Å; I698-L701 PolarHBondContact O-N 2.86Å; I698-L701 VanDerWaalsContact O-N 3.15Å; I698-V702 HydrophobicContact CG2-CG2 4.39Å; I698-V702 WeakPolarHBondContact O-CG2 3.1Å; I698-V702 PolarHBondContact O-N 3.25Å; I698-I731 HydrophobicContact CD1-CG2 4.02Å; I698-T734 HydrophobicContact CD1-CG2 3.6Å; I698-M735 HydrophobicContact CD1-CG 4.04Å; I698-M735 HydrophobicContact CG1-CE 4.45Å; I698-M735 HydrophobicContact CG1-CG 4.18Å; I698-M735 HydrophobicContact CG2-CB 4.21Å; I698-M735 HydrophobicContact CG2-CG 3.68Å; I698-A738 HydrophobicContact CG2-CB 4.02Å |
| 699 | R | 94.7 | Very high | 90.9 | Very high | 198 Ų | 198 | 56 Ų | 56 | 75% | 0.747 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.8 | -43.6 | -177.9 | -176.9 | 177 | -168.8 | 141.8 | 4.2 | 112.5 | I697 L701 V702 G703 | I697-R699 PolarHBondContact O-N 3.17Å; R699-L701 PolarHBondContact O-N 3.42Å; R699-V702 PolarHBondContact O-N 3.45Å; R699-G703 PolarHBondContact O-N 3.33Å |
| 700 | P | 94.7 | Very high | 90.8 | Very high | 34 Ų | 34 | 58.7 Ų | 58.7 | 22% | 0.221 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54 | -44.5 | 169.3 | -29.5 | 33.4 | 0 | 0 | 0 | 115 | V661 A673 E696 I697 G703 L704 | V661-P700 HydrophobicContact CG1-CB 3.38Å; V661-P700 HydrophobicContact CG1-CG 3.12Å; A673-P700 HydrophobicContact CB-CB 3.98Å; E696-P700 WeakPolarHBondContact O-CD 3.48Å; I697-P700 WeakPolarHBondContact O-CB 3.49Å; I697-P700 VanDerWaalsContact O-CD 3.23Å; I697-P700 WeakPolarHBondContact O-CD 3.48Å; P700-G703 PolarHBondContact O-N 3.49Å; P700-L704 PolarHBondContact O-N 3.12Å |
| 701 | L | 96.8 | Very high | 91 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 177.8 | -69.2 | 175 | 0 | 0 | 0 | 112.2 | A677 I697 I698 R699 G703 L704 A720 L721 L724 | A677-L701 HydrophobicContact CB-CD2 3.55Å; I697-L701 HydrophobicContact CD1-CD1 3.88Å; I697-L701 HydrophobicContact CD1-CD2 4.43Å; I697-L701 HydrophobicContact CD1-CG 4.16Å; I697-L701 HydrophobicContact CG1-CD1 3.71Å; I697-L701 HydrophobicContact CG1-CD2 4.39Å; I697-L701 HydrophobicContact CG1-CG 3.72Å; I697-L701 WeakPolarHBondContact O-CG 3.41Å; I697-L701 PolarHBondContact O-N 3.32Å; I698-L701 PolarHBondContact O-N 2.86Å; I698-L701 VanDerWaalsContact O-N 3.15Å; R699-L701 PolarHBondContact O-N 3.42Å; L701-G703 PolarHBondContact O-N 2.77Å; L701-L704 HydrophobicContact CD2-CD1 4.21Å; L701-L704 WeakPolarHBondContact O-CB 3.37Å; L701-L704 PolarHBondContact O-N 3.46Å; L701-A720 HydrophobicContact CD1-CB 4.01Å; L701-A720 HydrophobicContact CD2-CB 4.42Å; L701-L721 HydrophobicContact CB-CD1 4.24Å; L701-L721 HydrophobicContact CB-CD2 3.86Å; L701-L721 HydrophobicContact CB-CG 3.94Å; L701-L721 HydrophobicContact CD1-CD2 4.1Å; L701-L721 HydrophobicContact CD1-CG 4.26Å; L701-L724 HydrophobicContact CD1-CD1 3.65Å |
| 702 | V | 97 | Very high | 91.4 | Very high | 18 Ų | 18 | 59 Ų | 59 | 11% | 0.109 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.2 | -37 | 172.1 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | I698 R699 L704 L705 L721 V740 A743 | I698-V702 HydrophobicContact CG2-CG2 4.39Å; I698-V702 WeakPolarHBondContact O-CG2 3.1Å; I698-V702 PolarHBondContact O-N 3.25Å; R699-V702 PolarHBondContact O-N 3.45Å; V702-L704 PolarHBondContact O-N 2.89Å; V702-L705 WeakPolarHBondContact O-CB 3.4Å; V702-L705 PolarHBondContact O-N 3.01Å; V702-L721 HydrophobicContact CG2-CD1 4.3Å; V702-L721 HydrophobicContact CG2-CD2 4.43Å; V702-V740 HydrophobicContact CG2-CB 4.02Å; V702-V740 HydrophobicContact CG2-CG2 4Å; V702-A743 HydrophobicContact CG1-CB 3.98Å |
| 703 | G | 94 | Very high | 91.8 | Very high | 47 Ų | 47 | 54 Ų | 54 | 49% | 0.485 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | R699 P700 L701 | R699-G703 PolarHBondContact O-N 3.33Å; P700-G703 PolarHBondContact O-N 3.49Å; L701-G703 PolarHBondContact O-N 2.77Å |
| 704 | L | 95.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -14.2 | 170.8 | -62.6 | 179.4 | 0 | 0 | 0 | 112.7 | A670 A673 Q674 P700 L701 V702 H706 N714 A717 | A670-L704 HydrophobicContact CB-CD2 4.08Å; A673-L704 HydrophobicContact CB-CD1 3.94Å; A673-L704 HydrophobicContact CB-CD2 4.48Å; A673-L704 HydrophobicContact CB-CG 4.26Å; Q674-L704 HydrophobicContact CB-CD1 4.23Å; P700-L704 PolarHBondContact O-N 3.12Å; L701-L704 HydrophobicContact CD2-CD1 4.21Å; L701-L704 WeakPolarHBondContact O-CB 3.37Å; L701-L704 PolarHBondContact O-N 3.46Å; V702-L704 PolarHBondContact O-N 2.89Å; L704-H706 PolarHBondContact O-N 3.07Å; L704-N714 PolarHBondContact O-ND2 2.95Å; L704-A717 HydrophobicContact CB-CB 3.71Å; L704-A717 HydrophobicContact CD1-CB 4.16Å |
| 705 | L | 95.9 | Very high | 92.7 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | trans | -82.5 | 56.3 | 175 | -58.6 | -174.2 | 0 | 0 | 0 | 110.8 | V702 A717 L718 L721 A743 M744 F747 | V702-L705 WeakPolarHBondContact O-CB 3.4Å; V702-L705 PolarHBondContact O-N 3.01Å; L705-A717 HydrophobicContact CD2-CB 3.79Å; L705-A717 HydrophobicContact CG-CB 4.46Å; L705-L718 HydrophobicContact CD1-CD2 3.96Å; L705-L718 HydrophobicContact CD2-CD2 3.74Å; L705-L718 HydrophobicContact CD2-CG 3.68Å; L705-L721 HydrophobicContact CD1-CD1 3.77Å; L705-L721 HydrophobicContact CG-CD1 4.35Å; L705-A743 HydrophobicContact CB-CB 3.98Å; L705-A743 HydrophobicContact CD1-CB 4.22Å; L705-M744 HydrophobicContact CD1-CB 4.41Å; L705-F747 HydrophobicContact CB-CE2 3.8Å; L705-F747 HydrophobicContact CD2-CE2 4.25Å | ||
| 706 | H | 91.2 | Very high | 93 | Very high | 89 Ų | 89 | 51.8 Ų | 51.8 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -123.4 | 141.3 | 180 | -168.2 | -86.7 | 0 | 0 | 0 | 110.5 | L704 D708 K709 N714 | L704-H706 PolarHBondContact O-N 3.07Å; H706-D708 IonicContact CE1-OD1 3.07Å; H706-D708 IonicContact CE1-OD2 2.73Å; H706-D708 PolarHBondContact CE1-OD2 3.33Å; H706-D708 WeakPolarHBondContact ND1-CB 3.48Å; H706-D708 PolarHBondContact ND1-N 3.24Å; H706-D708 VanDerWaalsContact ND1-N 3.18Å; H706-D708 IonicContact ND1-OD2 3.97Å; H706-D708 PolarHBondContact O-N 3.3Å; H706-K709 HydrophobicContact CB-CG 4.15Å; H706-K709 WeakPolarHBondContact O-CB 3.43Å; H706-K709 PolarHBondContact O-N 3.46Å; H706-N714 PolarHBondContact O-ND2 3.45Å |
| 707 | P | 86 | Confident | 93.4 | Very high | 81 Ų | 81 | 46.9 Ų | 46.9 | 53% | 0.526 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.6 | -178.7 | -27 | 35.3 | 0 | 0 | 0 | 115 | K709 | P707-K709 PolarHBondContact O-N 3.06Š|
| 708 | D | 87.2 | Confident | 93.7 | Very high | 142 Ų | 142 | 46.9 Ų | 46.9 | 76% | 0.759 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -8.6 | 177.1 | -60.2 | -12.6 | 0 | 0 | 0 | 113.8 | H706 | H706-D708 IonicContact CE1-OD1 3.07Å; H706-D708 IonicContact CE1-OD2 2.73Å; H706-D708 PolarHBondContact CE1-OD2 3.33Å; H706-D708 WeakPolarHBondContact ND1-CB 3.48Å; H706-D708 PolarHBondContact ND1-N 3.24Å; H706-D708 VanDerWaalsContact ND1-N 3.18Å; H706-D708 IonicContact ND1-OD2 3.97Å; H706-D708 PolarHBondContact O-N 3.3Å |
| 709 | K | 89.3 | Confident | 93.8 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 28% | 0.283 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -86.7 | 158.6 | 175.7 | -59.2 | -61.3 | -175.3 | 177.7 | 0 | 110.2 | H706 P707 E713 | H706-K709 HydrophobicContact CB-CG 4.15Å; H706-K709 WeakPolarHBondContact O-CB 3.43Å; H706-K709 PolarHBondContact O-N 3.46Å; P707-K709 PolarHBondContact O-N 3.06Å; K709-E713 HydrophobicContact CB-CB 4.25Å |
| 710 | S | 89.2 | Confident | 93.9 | Very high | 57 Ų | 57 | 38.9 Ų | 38.9 | 40% | 0.399 | 23% | 0.226 | S | C | . | . | trans | -67 | 149 | 175.5 | 66.5 | 0 | 0 | 0 | 0 | 111 | L712 E713 N714 | S710-L712 PolarHBondContact O-N 3.46Å; S710-L712 VanDerWaalsContact O-N 3.13Å; S710-E713 VanDerWaalsContact CB-OE2 3.32Å; S710-E713 WeakPolarHBondContact CB-OE2 3.3Å; S710-E713 PolarHBondContact N-OE2 3.28Å; S710-E713 WeakPolarHBondContact O-CB 3.43Å; S710-E713 PolarHBondContact O-N 3.37Å; S710-E713 VanDerWaalsContact OG-CG 3.29Å; S710-E713 WeakPolarHBondContact OG-CG 3.37Å; S710-E713 PolarHBondContact OG-N 3.04Å; S710-E713 PolarHBondContact OG-OE2 2.9Å; S710-N714 PolarHBondContact O-N 3.25Å; S710-N714 PolarHBondContact O-OD1 3.05Å | ||
| 711 | G | 88.7 | Confident | 94.1 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 33% | 0.33 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.1 | -30.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | N714 Y715 | G711-N714 PolarHBondContact O-N 3.47Å; G711-Y715 VanDerWaalsContact O-CB 3.3Å; G711-Y715 WeakPolarHBondContact O-CB 3.44Å; G711-Y715 PolarHBondContact O-N 2.68Å |
| 712 | L | 91.4 | Very high | 94.1 | Very high | 102 Ų | 102 | 37.8 Ų | 37.8 | 53% | 0.534 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.2 | -42.6 | 174.6 | -173.4 | 63.6 | 0 | 0 | 0 | 112 | S710 Y715 E716 | S710-L712 PolarHBondContact O-N 3.46Å; S710-L712 VanDerWaalsContact O-N 3.13Å; L712-Y715 PolarHBondContact O-N 2.9Å; L712-E716 HydrophobicContact CD1-CG 4.43Å; L712-E716 WeakPolarHBondContact O-CB 3.46Å; L712-E716 VanDerWaalsContact O-CG 3.29Å; L712-E716 WeakPolarHBondContact O-CG 3.49Å; L712-E716 PolarHBondContact O-N 3.35Å |
| 713 | E | 93.8 | Very high | 94.1 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 173.7 | -77.2 | 166 | 102.9 | 0 | 0 | 111.4 | Q674 K709 S710 E716 A717 | Q674-E713 VanDerWaalsContact CD-CG 3.44Å; Q674-E713 HydrophobicContact CG-CG 4.27Å; K709-E713 HydrophobicContact CB-CB 4.25Å; S710-E713 VanDerWaalsContact CB-OE2 3.32Å; S710-E713 WeakPolarHBondContact CB-OE2 3.3Å; S710-E713 PolarHBondContact N-OE2 3.28Å; S710-E713 WeakPolarHBondContact O-CB 3.43Å; S710-E713 PolarHBondContact O-N 3.37Å; S710-E713 VanDerWaalsContact OG-CG 3.29Å; S710-E713 WeakPolarHBondContact OG-CG 3.37Å; S710-E713 PolarHBondContact OG-N 3.04Å; S710-E713 PolarHBondContact OG-OE2 2.9Å; E713-E716 PolarHBondContact O-N 3.19Å; E713-A717 VanDerWaalsContact O-CB 3.32Å; E713-A717 WeakPolarHBondContact O-CB 3.24Å; E713-A717 PolarHBondContact O-N 2.93Å |
| 714 | N | 95.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 177.8 | -55.4 | 138 | 0 | 0 | 0 | 111 | L704 H706 S710 G711 E716 A717 L718 F747 L756 | L704-N714 PolarHBondContact O-ND2 2.95Å; H706-N714 PolarHBondContact O-ND2 3.45Å; S710-N714 PolarHBondContact O-N 3.25Å; S710-N714 PolarHBondContact O-OD1 3.05Å; G711-N714 PolarHBondContact O-N 3.47Å; N714-E716 PolarHBondContact O-N 2.86Å; N714-A717 PolarHBondContact O-N 2.84Å; N714-L718 WeakPolarHBondContact O-CG 3.37Å; N714-L718 PolarHBondContact O-N 3.06Å; N714-F747 HydrophobicContact CB-CD1 4.38Å; N714-F747 HydrophobicContact CB-CE1 3.64Å; N714-F747 HydrophobicContact CB-CZ 3.86Å; N714-F747 VanDerWaalsContact CG-CE1 3.46Å; N714-F747 VanDerWaalsContact CG-CZ 3.5Å; N714-F747 WeakPolarHBondContact OD1-CE1 3.3Å; N714-L756 HydrophobicContact CB-CD2 3.87Å |
| 715 | Y | 97 | Very high | 94 | Very high | 52 Ų | 52 | 37.5 Ų | 37.5 | 20% | 0.204 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.4 | -45.6 | -179.2 | -174.1 | -106 | 0 | 0 | 0 | 111.8 | G711 L712 A717 L718 L719 Q755 L756 A759 R798 | G711-Y715 VanDerWaalsContact O-CB 3.3Å; G711-Y715 WeakPolarHBondContact O-CB 3.44Å; G711-Y715 PolarHBondContact O-N 2.68Å; L712-Y715 PolarHBondContact O-N 2.9Å; Y715-A717 PolarHBondContact O-N 3.27Å; Y715-L718 PolarHBondContact O-N 3.39Å; Y715-L719 HydrophobicContact CD1-CD1 3.97Å; Y715-L719 HydrophobicContact CE1-CD1 3.43Å; Y715-L719 VanDerWaalsContact CE1-CD1 3.43Å; Y715-L719 HydrophobicContact CE1-CG 4.19Å; Y715-L719 WeakPolarHBondContact O-CG 3.5Å; Y715-L719 PolarHBondContact O-N 3.24Å; Y715-Q755 HydrophobicContact CD2-CB 4.34Å; Y715-Q755 HydrophobicContact CE2-CB 4Å; Y715-Q755 WeakPolarHBondContact CE2-O 3.37Å; Y715-L756 HydrophobicContact CD2-CD2 4.15Å; Y715-L756 HydrophobicContact CG-CD2 4.45Å; Y715-A759 HydrophobicContact CD2-CB 3.98Å; Y715-A759 HydrophobicContact CE2-CB 3.8Å; Y715-R798 PolarHBondContact OH-NH1 2.73Å |
| 716 | E | 97.3 | Very high | 93.8 | Very high | 18 Ų | 18 | 40 Ų | 40 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | 177.7 | -70.2 | 177.8 | 156.1 | 0 | 0 | 112.1 | Q674 A677 K678 I681 L712 E713 N714 A720 | Q674-E716 WeakPolarHBondContact CG-OE2 3.3Å; Q674-E716 PolarHBondContact NE2-OE2 3.44Å; A677-E716 HydrophobicContact CB-CB 4.37Å; K678-E716 VanDerWaalsContact CE-OE2 3.29Å; K678-E716 WeakPolarHBondContact CE-OE2 3.26Å; K678-E716 VanDerWaalsContact NZ-CD 3.25Å; K678-E716 IonicContact NZ-OE1 3Å; K678-E716 PolarHBondContact NZ-OE1 3.03Å; K678-E716 IonicContact NZ-OE2 3.62Å; K678-E716 PolarHBondContact NZ-OE2 3.49Å; K678-E716 VanDerWaalsContact NZ-OE2 3.12Å; I681-E716 HydrophobicContact CD1-CB 3.92Å; I681-E716 HydrophobicContact CD1-CG 4.07Å; I681-E716 WeakPolarHBondContact CD1-O 3.14Å; L712-E716 HydrophobicContact CD1-CG 4.43Å; L712-E716 WeakPolarHBondContact O-CB 3.46Å; L712-E716 VanDerWaalsContact O-CG 3.29Å; L712-E716 WeakPolarHBondContact O-CG 3.49Å; L712-E716 PolarHBondContact O-N 3.35Å; E713-E716 PolarHBondContact O-N 3.19Å; N714-E716 PolarHBondContact O-N 2.86Å; E716-A720 WeakPolarHBondContact O-CB 3.36Å; E716-A720 PolarHBondContact O-N 3.39Å |
| 717 | A | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L704 L705 E713 N714 Y715 A720 L721 | L704-A717 HydrophobicContact CB-CB 3.71Å; L704-A717 HydrophobicContact CD1-CB 4.16Å; L705-A717 HydrophobicContact CD2-CB 3.79Å; L705-A717 HydrophobicContact CG-CB 4.46Å; E713-A717 VanDerWaalsContact O-CB 3.32Å; E713-A717 WeakPolarHBondContact O-CB 3.24Å; E713-A717 PolarHBondContact O-N 2.93Å; N714-A717 PolarHBondContact O-N 2.84Å; Y715-A717 PolarHBondContact O-N 3.27Å; A717-A720 PolarHBondContact O-N 3.4Å; A717-L721 WeakPolarHBondContact O-CB 3.39Å; A717-L721 VanDerWaalsContact O-CG 3.24Å; A717-L721 WeakPolarHBondContact O-CG 3.41Å; A717-L721 PolarHBondContact O-N 3.31Å |
| 718 | L | 98.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -51.1 | 176.1 | -73 | 170.5 | 0 | 0 | 0 | 111.1 | L705 N714 Y715 A720 L721 T722 M744 F747 L756 A759 A760 L763 | L705-L718 HydrophobicContact CD1-CD2 3.96Å; L705-L718 HydrophobicContact CD2-CD2 3.74Å; L705-L718 HydrophobicContact CD2-CG 3.68Å; N714-L718 WeakPolarHBondContact O-CG 3.37Å; N714-L718 PolarHBondContact O-N 3.06Å; Y715-L718 PolarHBondContact O-N 3.39Å; L718-A720 PolarHBondContact O-N 2.97Å; L718-L721 PolarHBondContact O-N 2.86Å; L718-T722 PolarHBondContact O-N 3.05Å; L718-T722 PolarHBondContact O-OG1 2.99Å; L718-M744 HydrophobicContact CD2-CB 4.44Å; L718-M744 HydrophobicContact CD2-CG 4.09Å; L718-F747 HydrophobicContact CD1-CB 4.26Å; L718-F747 HydrophobicContact CD1-CG 4.36Å; L718-L756 HydrophobicContact CD1-CD2 4.02Å; L718-A759 HydrophobicContact CB-CB 3.98Å; L718-A759 HydrophobicContact CD1-CB 4.01Å; L718-A760 HydrophobicContact CD1-CB 4.22Å; L718-A760 HydrophobicContact CD2-CB 4.29Å; L718-L763 HydrophobicContact CD2-CD2 3.99Å |
| 719 | L | 97.7 | Very high | 93.2 | Very high | 30 Ų | 30 | 35 Ų | 35 | 16% | 0.157 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 179.8 | -67.3 | -176.8 | 0 | 0 | 0 | 112.7 | I681 Y715 T722 N723 A759 | I681-L719 HydrophobicContact CD1-CB 3.94Å; I681-L719 HydrophobicContact CD1-CD1 4.3Å; I681-L719 HydrophobicContact CG1-CB 3.73Å; I681-L719 HydrophobicContact CG2-CD1 4.44Å; Y715-L719 HydrophobicContact CD1-CD1 3.97Å; Y715-L719 HydrophobicContact CE1-CD1 3.43Å; Y715-L719 VanDerWaalsContact CE1-CD1 3.43Å; Y715-L719 HydrophobicContact CE1-CG 4.19Å; Y715-L719 WeakPolarHBondContact O-CG 3.5Å; Y715-L719 PolarHBondContact O-N 3.24Å; L719-T722 WeakPolarHBondContact O-CB 3.15Å; L719-T722 PolarHBondContact O-N 3.41Å; L719-N723 PolarHBondContact O-N 3.44Å; L719-A759 HydrophobicContact CD2-CB 4.28Å |
| 720 | A | 97.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A677 C680 I681 L701 E716 A717 L718 T722 N723 L724 | A677-A720 HydrophobicContact CB-CB 3.83Å; C680-A720 HydrophobicContact CB-CB 4.1Å; I681-A720 HydrophobicContact CG1-CB 4.23Å; L701-A720 HydrophobicContact CD1-CB 4.01Å; L701-A720 HydrophobicContact CD2-CB 4.42Å; E716-A720 WeakPolarHBondContact O-CB 3.36Å; E716-A720 PolarHBondContact O-N 3.39Å; A717-A720 PolarHBondContact O-N 3.4Å; L718-A720 PolarHBondContact O-N 2.97Å; A720-T722 VanDerWaalsContact C-N 3.34Å; A720-N723 PolarHBondContact O-N 2.96Å; A720-L724 WeakPolarHBondContact O-CG 3.32Å; A720-L724 PolarHBondContact O-N 2.85Å |
| 721 | L | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -38.1 | 174.5 | -73.1 | 168.2 | 0 | 0 | 0 | 111.5 | L701 V702 L705 A717 L718 L724 A725 M735 V740 L763 | L701-L721 HydrophobicContact CB-CD1 4.24Å; L701-L721 HydrophobicContact CB-CD2 3.86Å; L701-L721 HydrophobicContact CB-CG 3.94Å; L701-L721 HydrophobicContact CD1-CD2 4.1Å; L701-L721 HydrophobicContact CD1-CG 4.26Å; V702-L721 HydrophobicContact CG2-CD1 4.3Å; V702-L721 HydrophobicContact CG2-CD2 4.43Å; L705-L721 HydrophobicContact CD1-CD1 3.77Å; L705-L721 HydrophobicContact CG-CD1 4.35Å; A717-L721 WeakPolarHBondContact O-CB 3.39Å; A717-L721 VanDerWaalsContact O-CG 3.24Å; A717-L721 WeakPolarHBondContact O-CG 3.41Å; A717-L721 PolarHBondContact O-N 3.31Å; L718-L721 PolarHBondContact O-N 2.86Å; L721-L724 PolarHBondContact O-N 3.23Å; L721-A725 VanDerWaalsContact O-CB 3.29Å; L721-A725 WeakPolarHBondContact O-CB 3.23Å; L721-A725 PolarHBondContact O-N 2.89Å; L721-M735 HydrophobicContact CB-CE 4.33Å; L721-M735 HydrophobicContact CD2-CE 3.75Å; L721-M735 VanDerWaalsContact O-CE 3.26Å; L721-M735 WeakPolarHBondContact O-CE 3.35Å; L721-V740 HydrophobicContact CD1-CG2 4.31Å; L721-L763 HydrophobicContact CB-CD1 3.81Å; L721-L763 HydrophobicContact CB-CD2 3.7Å; L721-L763 HydrophobicContact CB-CG 4.41Å; L721-L763 HydrophobicContact CD1-CD2 4.04Å |
| 722 | T | 97.5 | Very high | 93.7 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.1 | -47.7 | 176.6 | -61 | 0 | 0 | 0 | 0 | 110.8 | L718 L719 A720 L724 A725 A726 E762 L763 N766 | L718-T722 PolarHBondContact O-N 3.05Å; L718-T722 PolarHBondContact O-OG1 2.99Å; L719-T722 WeakPolarHBondContact O-CB 3.15Å; L719-T722 PolarHBondContact O-N 3.41Å; A720-T722 VanDerWaalsContact C-N 3.34Å; T722-L724 PolarHBondContact O-N 3.34Å; T722-A725 PolarHBondContact O-N 3.28Å; T722-A726 PolarHBondContact O-N 2.92Å; T722-A726 VanDerWaalsContact O-N 3.16Å; T722-E762 HydrophobicContact CG2-CB 4.06Å; T722-L763 WeakPolarHBondContact OG1-CA 3.29Å; T722-L763 WeakPolarHBondContact OG1-CB 3.49Å; T722-L763 PolarHBondContact OG1-N 3.42Å; T722-N766 WeakPolarHBondContact CG2-ND2 3.47Å; T722-N766 PolarHBondContact O-ND2 2.95Å |
| 723 | N | 95.7 | Very high | 93.7 | Very high | 61 Ų | 61 | 30.8 Ų | 30.8 | 33% | 0.326 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.3 | -38.8 | 177.6 | -75.3 | -4.5 | 0 | 0 | 0 | 112.3 | C680 I681 P685 L719 A720 A726 | C680-N723 PolarHBondContact O-ND2 3.14Å; I681-N723 WeakPolarHBondContact CA-ND2 3.37Å; I681-N723 PolarHBondContact O-ND2 2.92Å; I681-N723 VanDerWaalsContact O-ND2 3.09Å; P685-N723 HydrophobicContact CG-CB 4.3Å; L719-N723 PolarHBondContact O-N 3.44Å; A720-N723 PolarHBondContact O-N 2.96Å; N723-A726 WeakPolarHBondContact O-CB 3.21Å; N723-A726 PolarHBondContact O-N 2.99Å |
| 724 | L | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.5 | -41.7 | 174.3 | -77.1 | 165.4 | 0 | 0 | 0 | 111.8 | P685 C694 I697 L701 A720 L721 T722 A726 S727 I731 M735 | P685-L724 HydrophobicContact CB-CD2 3.48Å; P685-L724 VanDerWaalsContact CB-CD2 3.48Å; P685-L724 HydrophobicContact CB-CG 4.25Å; P685-L724 HydrophobicContact CG-CD2 3.93Å; P685-L724 HydrophobicContact CG-CG 4.15Å; C694-L724 HydrophobicContact CB-CD2 4.07Å; I697-L724 HydrophobicContact CG2-CD1 4.12Å; L701-L724 HydrophobicContact CD1-CD1 3.65Å; A720-L724 WeakPolarHBondContact O-CG 3.32Å; A720-L724 PolarHBondContact O-N 2.85Å; L721-L724 PolarHBondContact O-N 3.23Å; T722-L724 PolarHBondContact O-N 3.34Å; L724-A726 PolarHBondContact O-N 3.16Å; L724-S727 WeakPolarHBondContact O-CB 3.37Å; L724-S727 PolarHBondContact O-N 3.28Å; L724-S727 PolarHBondContact O-OG 3.45Å; L724-I731 HydrophobicContact CB-CG2 4.13Å; L724-I731 VanDerWaalsContact O-CG2 3.29Å; L724-I731 WeakPolarHBondContact O-CG2 3.47Å; L724-M735 HydrophobicContact CB-CE 3.37Å; L724-M735 HydrophobicContact CD1-CE 4.41Å |
| 725 | A | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.9 | -22.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L721 T722 S727 R732 M735 L763 N766 L767 | L721-A725 VanDerWaalsContact O-CB 3.29Å; L721-A725 WeakPolarHBondContact O-CB 3.23Å; L721-A725 PolarHBondContact O-N 2.89Å; T722-A725 PolarHBondContact O-N 3.28Å; A725-S727 VanDerWaalsContact C-N 3.29Å; A725-S727 PolarHBondContact O-N 3.14Å; A725-R732 HydrophobicContact CB-CG 4.35Å; A725-R732 WeakPolarHBondContact O-CG 3.03Å; A725-R732 PolarHBondContact O-NH1 2.9Å; A725-M735 HydrophobicContact CB-CE 4.07Å; A725-M735 HydrophobicContact CB-SD 3.8Å; A725-L763 HydrophobicContact CB-CD1 3.98Å; A725-N766 HydrophobicContact CB-CB 3.75Å; A725-L767 HydrophobicContact CB-CD2 4.42Å |
| 726 | A | 91.3 | Very high | 93.6 | Very high | 63 Ų | 63 | 29 Ų | 29 | 52% | 0.521 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -21.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T722 N723 L724 | T722-A726 PolarHBondContact O-N 2.92Å; T722-A726 VanDerWaalsContact O-N 3.16Å; N723-A726 WeakPolarHBondContact O-CB 3.21Å; N723-A726 PolarHBondContact O-N 2.99Å; L724-A726 PolarHBondContact O-N 3.16Å |
| 727 | S | 80.5 | Confident | 93.4 | Very high | 54 Ų | 54 | 34 Ų | 34 | 38% | 0.378 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -67.1 | -172.4 | -54.5 | 0 | 0 | 0 | 0 | 113.8 | L724 A725 | L724-S727 WeakPolarHBondContact O-CB 3.37Å; L724-S727 PolarHBondContact O-N 3.28Å; L724-S727 PolarHBondContact O-OG 3.45Å; A725-S727 VanDerWaalsContact C-N 3.29Å; A725-S727 PolarHBondContact O-N 3.14Å |
| 728 | D | 82.2 | Confident | 93.2 | Very high | 69 Ų | 69 | 35 Ų | 35 | 37% | 0.369 | 21% | 0.207 | S | C | . | . | trans | -154.4 | 168.2 | -175.6 | 68.6 | 58.9 | 0 | 0 | 0 | 113.9 | S730 I731 R732 | D728-S730 VanDerWaalsContact C-N 3.3Å; D728-S730 PolarHBondContact O-N 3.04Å; D728-S730 VanDerWaalsContact OD1-CA 3.27Å; D728-S730 WeakPolarHBondContact OD1-CA 3.46Å; D728-S730 WeakPolarHBondContact OD1-CB 3.43Å; D728-S730 PolarHBondContact OD1-N 3.22Å; D728-I731 PolarHBondContact O-N 2.99Å; D728-I731 PolarHBondContact OD1-N 3.41Å; D728-R732 PolarHBondContact O-N 3.11Å | ||
| 729 | D | 88.5 | Confident | 92.9 | Very high | 84 Ų | 84 | 40.5 Ų | 40.5 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.4 | -28.4 | -179.8 | -78.3 | -39.8 | 0 | 0 | 0 | 113.9 | R732 M733 | D729-R732 VanDerWaalsContact CG-NH2 3.28Å; D729-R732 PolarHBondContact O-N 2.97Å; D729-R732 IonicContact OD1-CZ 2.65Å; D729-R732 VanDerWaalsContact OD1-CZ 3.24Å; D729-R732 IonicContact OD1-NE 3.59Å; D729-R732 PolarHBondContact OD1-NE 3.41Å; D729-R732 IonicContact OD1-NH2 3.13Å; D729-R732 PolarHBondContact OD1-NH2 3.01Å; D729-R732 IonicContact OD2-NH2 2.81Å; D729-M733 WeakPolarHBondContact O-CB 3.4Å; D729-M733 VanDerWaalsContact O-CG 3.25Å; D729-M733 WeakPolarHBondContact O-CG 3.45Å; D729-M733 PolarHBondContact O-N 3.36Å |
| 730 | S | 90.9 | Very high | 92.9 | Very high | 66 Ų | 66 | 39 Ų | 39 | 46% | 0.462 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.3 | -42.7 | 179.4 | -170.8 | 0 | 0 | 0 | 0 | 110.7 | H695 D728 M733 T734 | H695-S730 PolarHBondContact CE1-OG 3.25Å; H695-S730 VanDerWaalsContact CE1-OG 3.3Å; D728-S730 VanDerWaalsContact C-N 3.3Å; D728-S730 PolarHBondContact O-N 3.04Å; D728-S730 VanDerWaalsContact OD1-CA 3.27Å; D728-S730 WeakPolarHBondContact OD1-CA 3.46Å; D728-S730 WeakPolarHBondContact OD1-CB 3.43Å; D728-S730 PolarHBondContact OD1-N 3.22Å; S730-M733 PolarHBondContact O-N 3.36Å; S730-T734 WeakPolarHBondContact O-CB 3.45Å; S730-T734 PolarHBondContact O-N 3.35Å; S730-T734 PolarHBondContact O-OG1 3.06Å |
| 731 | I | 92 | Very high | 92.7 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -47.5 | 174.5 | -71.8 | 176.2 | 0 | 0 | 0 | 110.3 | C694 I698 L724 D728 M733 T734 M735 | C694-I731 HydrophobicContact CB-CD1 3.76Å; C694-I731 HydrophobicContact CB-CG1 4.48Å; I698-I731 HydrophobicContact CD1-CG2 4.02Å; L724-I731 HydrophobicContact CB-CG2 4.13Å; L724-I731 VanDerWaalsContact O-CG2 3.29Å; L724-I731 WeakPolarHBondContact O-CG2 3.47Å; D728-I731 PolarHBondContact O-N 2.99Å; D728-I731 PolarHBondContact OD1-N 3.41Å; I731-M733 VanDerWaalsContact C-N 3.32Å; I731-M733 PolarHBondContact O-N 3.49Å; I731-T734 WeakPolarHBondContact O-CB 3.36Å; I731-T734 PolarHBondContact O-N 3.24Å; I731-T734 VanDerWaalsContact O-N 3.07Å; I731-M735 HydrophobicContact CG2-CE 3.65Å; I731-M735 HydrophobicContact CG2-CG 4.43Å; I731-M735 HydrophobicContact CG2-SD 4.18Å; I731-M735 WeakPolarHBondContact O-CG 3.27Å; I731-M735 PolarHBondContact O-N 3.23Å |
| 732 | R | 94.6 | Very high | 92.6 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.1 | -44.8 | 176.8 | -68.5 | -172.9 | -76.5 | -93.2 | 10.4 | 112.1 | A725 D728 D729 T734 M735 V736 N766 L767 C770 | A725-R732 HydrophobicContact CB-CG 4.35Å; A725-R732 WeakPolarHBondContact O-CG 3.03Å; A725-R732 PolarHBondContact O-NH1 2.9Å; D728-R732 PolarHBondContact O-N 3.11Å; D729-R732 VanDerWaalsContact CG-NH2 3.28Å; D729-R732 PolarHBondContact O-N 2.97Å; D729-R732 IonicContact OD1-CZ 2.65Å; D729-R732 VanDerWaalsContact OD1-CZ 3.24Å; D729-R732 IonicContact OD1-NE 3.59Å; D729-R732 PolarHBondContact OD1-NE 3.41Å; D729-R732 IonicContact OD1-NH2 3.13Å; D729-R732 PolarHBondContact OD1-NH2 3.01Å; D729-R732 IonicContact OD2-NH2 2.81Å; R732-T734 VanDerWaalsContact C-N 3.33Å; R732-T734 PolarHBondContact O-N 3.14Å; R732-M735 WeakPolarHBondContact O-CB 3.42Å; R732-M735 PolarHBondContact O-N 3.2Å; R732-V736 WeakPolarHBondContact O-CG2 3.22Å; R732-V736 PolarHBondContact O-N 3.35Å; R732-N766 WeakPolarHBondContact CD-O 3.23Å; R732-L767 HydrophobicContact CB-CD2 4.36Å; R732-L767 HydrophobicContact CG-CD2 4.34Å; R732-C770 HydrophobicContact CB-CB 4.09Å |
| 733 | M | 92.8 | Very high | 92.4 | Very high | 68 Ų | 68 | 43.6 Ų | 43.6 | 34% | 0.335 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 175.7 | -75.2 | -66.2 | -173.2 | 0 | 0 | 112.3 | D729 S730 I731 M735 V736 N737 C770 | D729-M733 WeakPolarHBondContact O-CB 3.4Å; D729-M733 VanDerWaalsContact O-CG 3.25Å; D729-M733 WeakPolarHBondContact O-CG 3.45Å; D729-M733 PolarHBondContact O-N 3.36Å; S730-M733 PolarHBondContact O-N 3.36Å; I731-M733 VanDerWaalsContact C-N 3.32Å; I731-M733 PolarHBondContact O-N 3.49Å; M733-M735 VanDerWaalsContact C-N 3.34Å; M733-M735 PolarHBondContact O-N 3.06Å; M733-V736 PolarHBondContact O-N 2.97Å; M733-N737 VanDerWaalsContact O-CG 3.29Å; M733-N737 PolarHBondContact O-N 2.77Å; M733-N737 PolarHBondContact O-ND2 3.5Å; M733-C770 VanDerWaalsContact CE-SG 3.58Å |
| 734 | T | 93.7 | Very high | 92.4 | Very high | 40 Ų | 40 | 40.7 Ų | 40.7 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -39.5 | 176.8 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | H695 I698 S730 I731 R732 N737 A738 | H695-T734 HydrophobicContact CB-CG2 4.38Å; H695-T734 PolarHBondContact CE1-OG1 3.27Å; H695-T734 PolarHBondContact ND1-OG1 3.3Å; I698-T734 HydrophobicContact CD1-CG2 3.6Å; S730-T734 WeakPolarHBondContact O-CB 3.45Å; S730-T734 PolarHBondContact O-N 3.35Å; S730-T734 PolarHBondContact O-OG1 3.06Å; I731-T734 WeakPolarHBondContact O-CB 3.36Å; I731-T734 PolarHBondContact O-N 3.24Å; I731-T734 VanDerWaalsContact O-N 3.07Å; R732-T734 VanDerWaalsContact C-N 3.33Å; R732-T734 PolarHBondContact O-N 3.14Å; T734-N737 PolarHBondContact O-N 3.33Å; T734-A738 WeakPolarHBondContact O-CB 3.38Å; T734-A738 PolarHBondContact O-N 3.02Å; T734-A738 VanDerWaalsContact O-N 3.08Å |
| 735 | M | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 174.5 | -66.6 | 172.7 | 168.1 | 0 | 0 | 112.2 | I698 L721 L724 A725 I731 R732 M733 N737 A738 D739 V740 L767 | I698-M735 HydrophobicContact CD1-CG 4.04Å; I698-M735 HydrophobicContact CG1-CE 4.45Å; I698-M735 HydrophobicContact CG1-CG 4.18Å; I698-M735 HydrophobicContact CG2-CB 4.21Å; I698-M735 HydrophobicContact CG2-CG 3.68Å; L721-M735 HydrophobicContact CB-CE 4.33Å; L721-M735 HydrophobicContact CD2-CE 3.75Å; L721-M735 VanDerWaalsContact O-CE 3.26Å; L721-M735 WeakPolarHBondContact O-CE 3.35Å; L724-M735 HydrophobicContact CB-CE 3.37Å; L724-M735 HydrophobicContact CD1-CE 4.41Å; A725-M735 HydrophobicContact CB-CE 4.07Å; A725-M735 HydrophobicContact CB-SD 3.8Å; I731-M735 HydrophobicContact CG2-CE 3.65Å; I731-M735 HydrophobicContact CG2-CG 4.43Å; I731-M735 HydrophobicContact CG2-SD 4.18Å; I731-M735 WeakPolarHBondContact O-CG 3.27Å; I731-M735 PolarHBondContact O-N 3.23Å; R732-M735 WeakPolarHBondContact O-CB 3.42Å; R732-M735 PolarHBondContact O-N 3.2Å; M733-M735 VanDerWaalsContact C-N 3.34Å; M733-M735 PolarHBondContact O-N 3.06Å; M735-N737 VanDerWaalsContact C-N 3.33Å; M735-N737 PolarHBondContact O-N 2.84Å; M735-A738 CarbonylContact O-C 3.46Å; M735-A738 PolarHBondContact O-N 3.36Å; M735-A738 VanDerWaalsContact O-N 3.07Å; M735-D739 PolarHBondContact O-N 3.44Å; M735-V740 HydrophobicContact CB-CB 4.13Å; M735-V740 HydrophobicContact CB-CG1 3.8Å; M735-V740 WeakPolarHBondContact O-CB 3.29Å; M735-V740 VanDerWaalsContact O-CG1 3.3Å; M735-V740 WeakPolarHBondContact O-CG1 3.49Å; M735-V740 PolarHBondContact O-N 3.12Å; M735-L767 HydrophobicContact CB-CD2 4.27Å; M735-L767 HydrophobicContact SD-CD2 3.95Å |
| 736 | V | 94.6 | Very high | 92.3 | Very high | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.055 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 176.8 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | R732 M733 A738 D739 V773 | R732-V736 WeakPolarHBondContact O-CG2 3.22Å; R732-V736 PolarHBondContact O-N 3.35Å; M733-V736 PolarHBondContact O-N 2.97Å; V736-A738 PolarHBondContact O-N 3.22Å; V736-D739 PolarHBondContact O-N 3.37Å; V736-V773 HydrophobicContact CG2-CG2 3.39Å |
| 737 | N | 93.9 | Very high | 92.4 | Very high | 124 Ų | 124 | 43 Ų | 43 | 66% | 0.663 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -69.4 | -15.6 | 175.8 | -68.4 | -26.9 | 0 | 0 | 0 | 113.6 | M733 T734 M735 | M733-N737 VanDerWaalsContact O-CG 3.29Å; M733-N737 PolarHBondContact O-N 2.77Å; M733-N737 PolarHBondContact O-ND2 3.5Å; T734-N737 PolarHBondContact O-N 3.33Å; M735-N737 VanDerWaalsContact C-N 3.33Å; M735-N737 PolarHBondContact O-N 2.84Å |
| 738 | A | 92.9 | Very high | 93.1 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 17% | 0.174 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 15.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I698 T734 M735 V736 V740 | I698-A738 HydrophobicContact CG2-CB 4.02Å; T734-A738 WeakPolarHBondContact O-CB 3.38Å; T734-A738 PolarHBondContact O-N 3.02Å; T734-A738 VanDerWaalsContact O-N 3.08Å; M735-A738 CarbonylContact O-C 3.46Å; M735-A738 PolarHBondContact O-N 3.36Å; M735-A738 VanDerWaalsContact O-N 3.07Å; V736-A738 PolarHBondContact O-N 3.22Å; A738-V740 VanDerWaalsContact C-N 3.31Å; A738-V740 PolarHBondContact O-N 2.89Å |
| 739 | D | 93.4 | Very high | 93.6 | Very high | 115 Ų | 115 | 41.5 Ų | 41.5 | 62% | 0.615 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 38.9 | 180 | -64 | -48.5 | 0 | 0 | 0 | 114 | M735 V736 L741 P742 | M735-D739 PolarHBondContact O-N 3.44Å; V736-D739 PolarHBondContact O-N 3.37Å; D739-L741 VanDerWaalsContact C-N 3.27Å; D739-L741 PolarHBondContact O-N 2.91Å; D739-P742 WeakPolarHBondContact O-CD 3.38Å |
| 740 | V | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -34.7 | 176 | 72.3 | 0 | 0 | 0 | 0 | 112.8 | V702 L721 M735 A738 A743 M744 L763 L767 | V702-V740 HydrophobicContact CG2-CB 4.02Å; V702-V740 HydrophobicContact CG2-CG2 4Å; L721-V740 HydrophobicContact CD1-CG2 4.31Å; M735-V740 HydrophobicContact CB-CB 4.13Å; M735-V740 HydrophobicContact CB-CG1 3.8Å; M735-V740 WeakPolarHBondContact O-CB 3.29Å; M735-V740 VanDerWaalsContact O-CG1 3.3Å; M735-V740 WeakPolarHBondContact O-CG1 3.49Å; M735-V740 PolarHBondContact O-N 3.12Å; A738-V740 VanDerWaalsContact C-N 3.31Å; A738-V740 PolarHBondContact O-N 2.89Å; V740-A743 PolarHBondContact O-N 3.4Å; V740-M744 VanDerWaalsContact O-CB 3.3Å; V740-M744 WeakPolarHBondContact O-CB 3.12Å; V740-M744 PolarHBondContact O-N 2.79Å; V740-L763 HydrophobicContact CG2-CD2 4.09Å; V740-L767 HydrophobicContact CG1-CD1 3.68Å; V740-L767 HydrophobicContact CG1-CD2 4.5Å; V740-L767 HydrophobicContact CG2-CD1 4.43Å |
| 741 | L | 94.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.7 | -54.7 | -172 | -72.8 | 178.3 | 0 | 0 | 0 | 111.9 | D739 A743 M744 E745 F764 L767 V773 K776 | D739-L741 VanDerWaalsContact C-N 3.27Å; D739-L741 PolarHBondContact O-N 2.91Å; L741-A743 VanDerWaalsContact C-N 3.25Å; L741-A743 PolarHBondContact O-N 3.43Å; L741-M744 HydrophobicContact CD2-CE 3.81Å; L741-M744 PolarHBondContact O-N 2.65Å; L741-E745 WeakPolarHBondContact O-CB 3.27Å; L741-E745 WeakPolarHBondContact O-CG 3.25Å; L741-E745 PolarHBondContact O-N 3.1Å; L741-F764 HydrophobicContact CD2-CD2 4.14Å; L741-F764 HydrophobicContact CD2-CE2 3.77Å; L741-F764 HydrophobicContact CD2-CZ 4.21Å; L741-L767 HydrophobicContact CD2-CD1 3.95Å; L741-V773 HydrophobicContact CD1-CG1 4.17Å; L741-V773 HydrophobicContact CD1-CG2 4.18Å; L741-V773 HydrophobicContact CD2-CG1 4.04Å; L741-K776 HydrophobicContact CD1-CD 4.02Å |
| 742 | P | 93.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 51.9 Ų | 51.9 | 54% | 0.539 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.3 | -38.6 | 175.8 | -24.8 | 33.6 | 0 | 0 | 0 | 113.3 | D739 | D739-P742 WeakPolarHBondContact O-CD 3.38Å |
| 743 | A | 94.7 | Very high | 92.5 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67 | -46.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | V702 L705 V740 L741 F747 | V702-A743 HydrophobicContact CG1-CB 3.98Å; L705-A743 HydrophobicContact CB-CB 3.98Å; L705-A743 HydrophobicContact CD1-CB 4.22Å; V740-A743 PolarHBondContact O-N 3.4Å; L741-A743 VanDerWaalsContact C-N 3.25Å; L741-A743 PolarHBondContact O-N 3.43Å; A743-F747 VanDerWaalsContact O-CD2 3.23Å; A743-F747 WeakPolarHBondContact O-CD2 3.25Å; A743-F747 WeakPolarHBondContact O-CE2 3.39Å |
| 744 | M | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.7 | -37.7 | 177.5 | 173.1 | -166 | 71.2 | 0 | 0 | 112.6 | L705 L718 V740 L741 H746 F747 W748 A760 L763 F764 L767 | L705-M744 HydrophobicContact CD1-CB 4.41Å; L718-M744 HydrophobicContact CD2-CB 4.44Å; L718-M744 HydrophobicContact CD2-CG 4.09Å; V740-M744 VanDerWaalsContact O-CB 3.3Å; V740-M744 WeakPolarHBondContact O-CB 3.12Å; V740-M744 PolarHBondContact O-N 2.79Å; L741-M744 HydrophobicContact CD2-CE 3.81Å; L741-M744 PolarHBondContact O-N 2.65Å; M744-H746 PolarHBondContact O-N 2.91Å; M744-F747 PolarHBondContact O-N 3.46Å; M744-W748 PolarHBondContact O-N 3.4Å; M744-A760 HydrophobicContact CG-CB 3.84Å; M744-L763 HydrophobicContact CB-CD2 4.3Å; M744-L763 HydrophobicContact CG-CD2 4.02Å; M744-L763 HydrophobicContact CG-CG 4.43Å; M744-L763 HydrophobicContact SD-CB 3.55Å; M744-L763 VanDerWaalsContact SD-CB 3.55Å; M744-L763 HydrophobicContact SD-CD2 3.56Å; M744-L763 VanDerWaalsContact SD-CD2 3.56Å; M744-L763 HydrophobicContact SD-CG 3.37Å; M744-L763 WeakPolarHBondContact SD-CG 3.1Å; M744-F764 HydrophobicContact CE-CB 3.39Å; M744-F764 HydrophobicContact CE-CD1 3.53Å; M744-F764 HydrophobicContact CE-CD2 3.78Å; M744-F764 HydrophobicContact CE-CE1 4.16Å; M744-F764 HydrophobicContact CE-CE2 4.39Å; M744-F764 HydrophobicContact CE-CG 3.29Å; M744-F764 HydrophobicContact SD-CB 3.82Å; M744-F764 HydrophobicContact SD-CG 4.39Å; M744-F764 PolarHBondContact SD-N 3.03Å; M744-F764 VanDerWaalsContact SD-N 3.39Å; M744-L767 HydrophobicContact CE-CD1 4.22Å; M744-L767 HydrophobicContact SD-CD1 4.25Å |
| 745 | E | 94.5 | Very high | 92.5 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 9% | 0.089 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.7 | -35.8 | -178.6 | -83.3 | 171.9 | -178 | 0 | 0 | 111.9 | L741 F747 W748 F749 F764 R784 | L741-E745 WeakPolarHBondContact O-CB 3.27Å; L741-E745 WeakPolarHBondContact O-CG 3.25Å; L741-E745 PolarHBondContact O-N 3.1Å; E745-F747 PolarHBondContact O-N 3.34Å; E745-W748 PolarHBondContact O-N 3.11Å; E745-W748 VanDerWaalsContact O-N 3.11Å; E745-F749 HydrophobicContact CB-CD2 4.44Å; E745-F749 HydrophobicContact CB-CE2 3.76Å; E745-F749 HydrophobicContact CB-CZ 3.99Å; E745-F749 HydrophobicContact CG-CZ 4.26Å; E745-F749 WeakPolarHBondContact O-CD2 3.29Å; E745-F749 VanDerWaalsContact O-CG 3.23Å; E745-F749 WeakPolarHBondContact O-CG 3.43Å; E745-F749 PolarHBondContact O-N 2.92Å; E745-F764 HydrophobicContact CG-CE1 4.21Å; E745-R784 IonicContact OE1-CZ 3.91Å; E745-R784 IonicContact OE1-NE 3.14Å; E745-R784 PolarHBondContact OE1-NE 3.48Å; E745-R784 IonicContact OE1-NH2 3.03Å; E745-R784 PolarHBondContact OE1-NH2 2.83Å; E745-R784 IonicContact OE2-CZ 2.63Å; E745-R784 IonicContact OE2-NH2 2.65Å; E745-R784 PolarHBondContact OE2-NH2 3.48Å |
| 746 | H | 91.9 | Very high | 92.5 | Very high | 91 Ų | 91 | 62 Ų | 62 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -54.2 | -41.2 | 174.2 | -176.8 | 64.6 | 0 | 0 | 0 | 112.7 | M744 M750 | M744-H746 PolarHBondContact O-N 2.91Å; H746-M750 WeakPolarHBondContact O-CG 3.31Å |
| 747 | F | 94.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -78 | -34.4 | 177.6 | -60.4 | -82.3 | 0 | 0 | 0 | 112.2 | L705 N714 L718 A743 M744 E745 F749 M750 L756 R757 A760 | L705-F747 HydrophobicContact CB-CE2 3.8Å; L705-F747 HydrophobicContact CD2-CE2 4.25Å; N714-F747 HydrophobicContact CB-CD1 4.38Å; N714-F747 HydrophobicContact CB-CE1 3.64Å; N714-F747 HydrophobicContact CB-CZ 3.86Å; N714-F747 VanDerWaalsContact CG-CE1 3.46Å; N714-F747 VanDerWaalsContact CG-CZ 3.5Å; N714-F747 WeakPolarHBondContact OD1-CE1 3.3Å; L718-F747 HydrophobicContact CD1-CB 4.26Å; L718-F747 HydrophobicContact CD1-CG 4.36Å; A743-F747 VanDerWaalsContact O-CD2 3.23Å; A743-F747 WeakPolarHBondContact O-CD2 3.25Å; A743-F747 WeakPolarHBondContact O-CE2 3.39Å; M744-F747 PolarHBondContact O-N 3.46Å; E745-F747 PolarHBondContact O-N 3.34Å; F747-F749 VanDerWaalsContact C-N 3.25Å; F747-F749 PolarHBondContact O-N 3.22Å; F747-M750 HydrophobicContact CD1-CE 3.51Å; F747-M750 HydrophobicContact CD1-SD 3.91Å; F747-M750 HydrophobicContact CE1-CE 3.75Å; F747-M750 HydrophobicContact CG-CE 4.33Å; F747-M750 WeakPolarHBondContact O-CB 3.44Å; F747-M750 PolarHBondContact O-N 3.33Å; F747-L756 HydrophobicContact CD1-CB 4.39Å; F747-L756 HydrophobicContact CD1-CD1 4.19Å; F747-L756 HydrophobicContact CD1-CD2 4.35Å; F747-R757 WeakPolarHBondContact O-CA 3.44Å; F747-A760 HydrophobicContact CB-CB 3.93Å |
| 748 | W | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -28.5 | 176.7 | -173.5 | 55.1 | 0 | 0 | 0 | 113.1 | M744 E745 R757 A760 F764 L787 W788 Y791 | M744-W748 PolarHBondContact O-N 3.4Å; E745-W748 PolarHBondContact O-N 3.11Å; E745-W748 VanDerWaalsContact O-N 3.11Å; W748-R757 WeakPolarHBondContact O-CG 3.21Å; W748-A760 HydrophobicContact CB-CB 3.91Å; W748-F764 HydrophobicContact CD2-CD1 4.02Å; W748-F764 HydrophobicContact CD2-CE1 4.31Å; W748-F764 HydrophobicContact CE3-CD1 4.07Å; W748-F764 AromaticContact CE3-CE1 3.88Å; W748-F764 HydrophobicContact CE3-CE1 3.88Å; W748-F764 HydrophobicContact CG-CD1 4.49Å; W748-F764 HydrophobicContact CH2-CE1 4.24Å; W748-F764 HydrophobicContact CZ3-CD1 4.33Å; W748-F764 AromaticContact CZ3-CE1 3.84Å; W748-F764 HydrophobicContact CZ3-CE1 3.84Å; W748-L787 HydrophobicContact CH2-CB 3.43Å; W748-L787 VanDerWaalsContact CH2-CB 3.43Å; W748-L787 HydrophobicContact CH2-CD1 4.21Å; W748-L787 HydrophobicContact CH2-CG 4.49Å; W748-L787 HydrophobicContact CZ2-CB 3.98Å; W748-L787 HydrophobicContact CZ3-CB 4.01Å; W748-L787 HydrophobicContact CZ3-CD1 3.91Å; W748-W788 AromaticContact CH2-CD1 3.99Å; W748-W788 HydrophobicContact CH2-CD2 4.48Å; W748-W788 HydrophobicContact CH2-CG 4.26Å; W748-W788 AromaticContact CZ2-CD2 3.89Å; W748-W788 HydrophobicContact CZ2-CD2 3.89Å; W748-W788 AromaticContact CZ2-CE2 4Å; W748-W788 HydrophobicContact CZ2-CE3 4.35Å; W748-W788 HydrophobicContact CZ2-CG 4.05Å; W748-Y791 AromaticContact CD1-CE2 3.98Å; W748-Y791 HydrophobicContact CD2-CE2 4.04Å; W748-Y791 AromaticContact CE2-CD2 3.71Å; W748-Y791 AromaticContact CE2-CE2 3.46Å; W748-Y791 VanDerWaalsContact CE2-CE2 3.46Å; W748-Y791 HydrophobicContact CG-CE2 4.35Å; W748-Y791 AromaticContact CZ2-CD2 3.81Å; W748-Y791 HydrophobicContact CZ2-CD2 3.81Å; W748-Y791 AromaticContact CZ2-CE2 3.76Å; W748-Y791 HydrophobicContact CZ2-CE2 3.76Å; W748-Y791 AromaticContact NE1-CD2 3.46Å; W748-Y791 AromaticContact NE1-CE2 3.43Å; W748-Y791 PolarHBondContact O-OH 2.99Å |
| 749 | F | 92.2 | Very high | 92.8 | Very high | 92 Ų | 92 | 55.6 Ų | 55.6 | 40% | 0.404 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -9.8 | 175.7 | -56.5 | -39.8 | 0 | 0 | 0 | 114.5 | E745 F747 L787 | E745-F749 HydrophobicContact CB-CD2 4.44Å; E745-F749 HydrophobicContact CB-CE2 3.76Å; E745-F749 HydrophobicContact CB-CZ 3.99Å; E745-F749 HydrophobicContact CG-CZ 4.26Å; E745-F749 WeakPolarHBondContact O-CD2 3.29Å; E745-F749 VanDerWaalsContact O-CG 3.23Å; E745-F749 WeakPolarHBondContact O-CG 3.43Å; E745-F749 PolarHBondContact O-N 2.92Å; F747-F749 VanDerWaalsContact C-N 3.25Å; F747-F749 PolarHBondContact O-N 3.22Å; F749-L787 HydrophobicContact CD1-CD1 3.7Å; F749-L787 HydrophobicContact CE1-CD1 3.31Å; F749-L787 HydrophobicContact CZ-CD1 4.4Å |
| 750 | M | 88 | Confident | 93 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 24% | 0.236 | 25% | 0.249 | C | C | . | . | trans | -63.5 | 138.1 | -177.9 | -74 | -176.1 | -177.9 | 0 | 0 | 111.2 | H746 F747 H753 L756 R757 | H746-M750 WeakPolarHBondContact O-CG 3.31Å; F747-M750 HydrophobicContact CD1-CE 3.51Å; F747-M750 HydrophobicContact CD1-SD 3.91Å; F747-M750 HydrophobicContact CE1-CE 3.75Å; F747-M750 HydrophobicContact CG-CE 4.33Å; F747-M750 WeakPolarHBondContact O-CB 3.44Å; F747-M750 PolarHBondContact O-N 3.33Å; M750-H753 HydrophobicContact SD-CB 4.33Å; M750-L756 HydrophobicContact SD-CD1 4.33Å; M750-R757 WeakPolarHBondContact O-CD 3.49Å | ||
| 751 | Q | 82 | Confident | 93.1 | Very high | 160 Ų | 160 | 50.1 Ų | 50.1 | 75% | 0.748 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -99.4 | -31.6 | 175.8 | -65.9 | -175.8 | -38.4 | 0 | 0 | 112.4 | H753 | Q751-H753 PolarHBondContact O-N 3.28Š|
| 752 | D | 84.6 | Confident | 93.2 | Very high | 163 Ų | 163 | 52.1 Ų | 52.1 | 87% | 0.872 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -87.6 | -3.9 | -171.8 | -55 | -52.7 | 0 | 0 | 0 | 114.5 | ||
| 753 | H | 89 | Confident | 93.4 | Very high | 98 Ų | 98 | 48.2 Ų | 48.2 | 45% | 0.454 | 23% | 0.232 | S | C | . | . | trans | -135.4 | 75.1 | -171.6 | -126.3 | -45.6 | 0 | 0 | 0 | 112.1 | M750 Q751 Q755 L756 R757 | M750-H753 HydrophobicContact SD-CB 4.33Å; Q751-H753 PolarHBondContact O-N 3.28Å; H753-Q755 VanDerWaalsContact C-N 3.33Å; H753-Q755 PolarHBondContact O-N 3.38Å; H753-L756 HydrophobicContact CB-CB 4.35Å; H753-L756 HydrophobicContact CB-CD1 4.12Å; H753-L756 PolarHBondContact O-N 3.2Å; H753-L756 VanDerWaalsContact O-N 3.12Å; H753-R757 PolarHBondContact O-N 3.34Å | ||
| 754 | E | 92.3 | Very high | 93.6 | Very high | 122 Ų | 122 | 47.2 Ų | 47.2 | 57% | 0.57 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -49.7 | -46.7 | -175.3 | -65 | 173.6 | -178 | 0 | 0 | 113.4 | L756 R757 A758 | E754-L756 PolarHBondContact O-N 3.28Å; E754-R757 WeakPolarHBondContact O-CB 3.37Å; E754-R757 PolarHBondContact O-N 2.93Å; E754-A758 WeakPolarHBondContact O-CB 3.34Å; E754-A758 PolarHBondContact O-N 3.15Å |
| 755 | Q | 93.3 | Very high | 93.7 | Very high | 126 Ų | 126 | 48.4 Ų | 48.4 | 59% | 0.589 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -60.6 | -42 | -178.8 | -66.7 | -173.8 | -11.5 | 0 | 0 | 113.2 | Y715 H753 A759 | Y715-Q755 HydrophobicContact CD2-CB 4.34Å; Y715-Q755 HydrophobicContact CE2-CB 4Å; Y715-Q755 WeakPolarHBondContact CE2-O 3.37Å; H753-Q755 VanDerWaalsContact C-N 3.33Å; H753-Q755 PolarHBondContact O-N 3.38Å; Q755-A759 WeakPolarHBondContact O-CB 3.32Å; Q755-A759 PolarHBondContact O-N 3.17Å; Q755-A759 VanDerWaalsContact O-N 3.07Å |
| 756 | L | 94.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.4 | -41.5 | 178.4 | -75.1 | 170.7 | 0 | 0 | 0 | 110.9 | N714 Y715 L718 F747 M750 H753 E754 A758 A759 A760 | N714-L756 HydrophobicContact CB-CD2 3.87Å; Y715-L756 HydrophobicContact CD2-CD2 4.15Å; Y715-L756 HydrophobicContact CG-CD2 4.45Å; L718-L756 HydrophobicContact CD1-CD2 4.02Å; F747-L756 HydrophobicContact CD1-CB 4.39Å; F747-L756 HydrophobicContact CD1-CD1 4.19Å; F747-L756 HydrophobicContact CD1-CD2 4.35Å; M750-L756 HydrophobicContact SD-CD1 4.33Å; H753-L756 HydrophobicContact CB-CB 4.35Å; H753-L756 HydrophobicContact CB-CD1 4.12Å; H753-L756 PolarHBondContact O-N 3.2Å; H753-L756 VanDerWaalsContact O-N 3.12Å; E754-L756 PolarHBondContact O-N 3.28Å; L756-A758 PolarHBondContact O-N 2.89Å; L756-A759 PolarHBondContact O-N 3.13Å; L756-A760 WeakPolarHBondContact O-CB 3.49Å; L756-A760 PolarHBondContact O-N 3.44Å |
| 757 | R | 95.5 | Very high | 94.1 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 7% | 0.072 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.1 | -47.2 | 177.6 | -166.3 | -170.3 | -178.2 | -175 | -12.2 | 111.4 | F747 W748 M750 H753 E754 A760 A761 E794 L799 | F747-R757 WeakPolarHBondContact O-CA 3.44Å; W748-R757 WeakPolarHBondContact O-CG 3.21Å; M750-R757 WeakPolarHBondContact O-CD 3.49Å; H753-R757 PolarHBondContact O-N 3.34Å; E754-R757 WeakPolarHBondContact O-CB 3.37Å; E754-R757 PolarHBondContact O-N 2.93Å; R757-A760 PolarHBondContact O-N 2.84Å; R757-A761 PolarHBondContact O-N 2.96Å; R757-E794 IonicContact CZ-OE1 3.45Å; R757-E794 IonicContact NH1-OE1 2.69Å; R757-E794 IonicContact NH1-OE2 3.07Å; R757-E794 IonicContact NH2-OE1 3.55Å; R757-E794 PolarHBondContact NH2-OE1 3.35Å; R757-L799 HydrophobicContact CG-CD2 4.38Å |
| 758 | A | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.3 | -44.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E754 L756 A760 A761 E762 R798 L799 | E754-A758 WeakPolarHBondContact O-CB 3.34Å; E754-A758 PolarHBondContact O-N 3.15Å; L756-A758 PolarHBondContact O-N 2.89Å; A758-A760 VanDerWaalsContact C-N 3.29Å; A758-A760 PolarHBondContact O-N 3.04Å; A758-A761 WeakPolarHBondContact O-CB 3.49Å; A758-A761 PolarHBondContact O-N 3.33Å; A758-A761 VanDerWaalsContact O-N 3.14Å; A758-E762 WeakPolarHBondContact O-CG 3.24Å; A758-E762 PolarHBondContact O-N 2.91Å; A758-R798 HydrophobicContact CB-CB 4.08Å; A758-R798 HydrophobicContact CB-CG 3.84Å; A758-L799 HydrophobicContact CB-CB 4.41Å |
| 759 | A | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -36.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y715 L718 L719 Q755 L756 E762 L763 | Y715-A759 HydrophobicContact CD2-CB 3.98Å; Y715-A759 HydrophobicContact CE2-CB 3.8Å; L718-A759 HydrophobicContact CB-CB 3.98Å; L718-A759 HydrophobicContact CD1-CB 4.01Å; L719-A759 HydrophobicContact CD2-CB 4.28Å; Q755-A759 WeakPolarHBondContact O-CB 3.32Å; Q755-A759 PolarHBondContact O-N 3.17Å; Q755-A759 VanDerWaalsContact O-N 3.07Å; L756-A759 PolarHBondContact O-N 3.13Å; A759-E762 PolarHBondContact O-N 3.45Å; A759-L763 PolarHBondContact O-N 3.27Å; A759-L763 VanDerWaalsContact O-N 3.14Å |
| 760 | A | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.8 | -40 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L718 M744 F747 W748 L756 R757 A758 E762 L763 F764 | L718-A760 HydrophobicContact CD1-CB 4.22Å; L718-A760 HydrophobicContact CD2-CB 4.29Å; M744-A760 HydrophobicContact CG-CB 3.84Å; F747-A760 HydrophobicContact CB-CB 3.93Å; W748-A760 HydrophobicContact CB-CB 3.91Å; L756-A760 WeakPolarHBondContact O-CB 3.49Å; L756-A760 PolarHBondContact O-N 3.44Å; R757-A760 PolarHBondContact O-N 2.84Å; A758-A760 VanDerWaalsContact C-N 3.29Å; A758-A760 PolarHBondContact O-N 3.04Å; A760-E762 VanDerWaalsContact C-N 3.34Å; A760-E762 PolarHBondContact O-N 3.11Å; A760-L763 PolarHBondContact O-N 2.82Å; A760-F764 WeakPolarHBondContact O-CB 3.4Å; A760-F764 PolarHBondContact O-N 3.49Å |
| 761 | A | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R757 A758 F764 L765 L799 | R757-A761 PolarHBondContact O-N 2.96Å; A758-A761 WeakPolarHBondContact O-CB 3.49Å; A758-A761 PolarHBondContact O-N 3.33Å; A758-A761 VanDerWaalsContact O-N 3.14Å; A761-F764 PolarHBondContact O-N 3.29Å; A761-L765 WeakPolarHBondContact O-CB 3.26Å; A761-L765 PolarHBondContact O-N 2.76Å; A761-L799 HydrophobicContact CB-CD1 3.59Å |
| 762 | E | 97.9 | Very high | 94.8 | Very high | 46 Ų | 46 | 41.7 Ų | 41.7 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 175.8 | -72.2 | 174.4 | 177.1 | 0 | 0 | 112.5 | T722 A758 A759 A760 F764 L765 N766 R798 S802 | T722-E762 HydrophobicContact CG2-CB 4.06Å; A758-E762 WeakPolarHBondContact O-CG 3.24Å; A758-E762 PolarHBondContact O-N 2.91Å; A759-E762 PolarHBondContact O-N 3.45Å; A760-E762 VanDerWaalsContact C-N 3.34Å; A760-E762 PolarHBondContact O-N 3.11Å; E762-F764 VanDerWaalsContact C-N 3.34Å; E762-L765 WeakPolarHBondContact O-CB 3.46Å; E762-L765 PolarHBondContact O-N 3.18Å; E762-N766 PolarHBondContact O-N 3.41Å; E762-N766 VanDerWaalsContact O-N 3.12Å; E762-R798 VanDerWaalsContact CD-NH2 3.26Å; E762-R798 IonicContact OE1-CZ 2.6Å; E762-R798 IonicContact OE1-NE 3.36Å; E762-R798 PolarHBondContact OE1-NE 3.23Å; E762-R798 IonicContact OE1-NH2 3.29Å; E762-R798 PolarHBondContact OE1-NH2 3.49Å; E762-R798 IonicContact OE2-CZ 3.7Å; E762-R798 IonicContact OE2-NE 2.99Å; E762-R798 IonicContact OE2-NH2 2.74Å; E762-R798 PolarHBondContact OE2-NH2 2.88Å; E762-S802 WeakPolarHBondContact CG-OG 3.26Å |
| 763 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 173.8 | 176.4 | 55.7 | 0 | 0 | 0 | 110.6 | L718 L721 T722 A725 V740 M744 A759 A760 L765 N766 L767 | L718-L763 HydrophobicContact CD2-CD2 3.99Å; L721-L763 HydrophobicContact CB-CD1 3.81Å; L721-L763 HydrophobicContact CB-CD2 3.7Å; L721-L763 HydrophobicContact CB-CG 4.41Å; L721-L763 HydrophobicContact CD1-CD2 4.04Å; T722-L763 WeakPolarHBondContact OG1-CA 3.29Å; T722-L763 WeakPolarHBondContact OG1-CB 3.49Å; T722-L763 PolarHBondContact OG1-N 3.42Å; A725-L763 HydrophobicContact CB-CD1 3.98Å; V740-L763 HydrophobicContact CG2-CD2 4.09Å; M744-L763 HydrophobicContact CB-CD2 4.3Å; M744-L763 HydrophobicContact CG-CD2 4.02Å; M744-L763 HydrophobicContact CG-CG 4.43Å; M744-L763 HydrophobicContact SD-CB 3.55Å; M744-L763 VanDerWaalsContact SD-CB 3.55Å; M744-L763 HydrophobicContact SD-CD2 3.56Å; M744-L763 VanDerWaalsContact SD-CD2 3.56Å; M744-L763 HydrophobicContact SD-CG 3.37Å; M744-L763 WeakPolarHBondContact SD-CG 3.1Å; A759-L763 PolarHBondContact O-N 3.27Å; A759-L763 VanDerWaalsContact O-N 3.14Å; A760-L763 PolarHBondContact O-N 2.82Å; L763-L765 VanDerWaalsContact C-N 3.31Å; L763-L765 PolarHBondContact O-N 2.92Å; L763-N766 PolarHBondContact O-N 3.16Å; L763-L767 HydrophobicContact CD1-CD1 4.16Å; L763-L767 HydrophobicContact CD1-CG 4.19Å; L763-L767 HydrophobicContact CG-CD1 4.05Å; L763-L767 HydrophobicContact CG-CG 4.5Å; L763-L767 WeakPolarHBondContact O-CG 3.37Å; L763-L767 PolarHBondContact O-N 2.94Å |
| 764 | F | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.4 | -41.5 | 179.6 | -153.4 | 163.1 | 0 | 0 | 0 | 111.1 | L741 M744 E745 W748 A760 A761 E762 N766 L767 L768 V773 V777 W788 | L741-F764 HydrophobicContact CD2-CD2 4.14Å; L741-F764 HydrophobicContact CD2-CE2 3.77Å; L741-F764 HydrophobicContact CD2-CZ 4.21Å; M744-F764 HydrophobicContact CE-CB 3.39Å; M744-F764 HydrophobicContact CE-CD1 3.53Å; M744-F764 HydrophobicContact CE-CD2 3.78Å; M744-F764 HydrophobicContact CE-CE1 4.16Å; M744-F764 HydrophobicContact CE-CE2 4.39Å; M744-F764 HydrophobicContact CE-CG 3.29Å; M744-F764 HydrophobicContact SD-CB 3.82Å; M744-F764 HydrophobicContact SD-CG 4.39Å; M744-F764 PolarHBondContact SD-N 3.03Å; M744-F764 VanDerWaalsContact SD-N 3.39Å; E745-F764 HydrophobicContact CG-CE1 4.21Å; W748-F764 HydrophobicContact CD2-CD1 4.02Å; W748-F764 HydrophobicContact CD2-CE1 4.31Å; W748-F764 HydrophobicContact CE3-CD1 4.07Å; W748-F764 AromaticContact CE3-CE1 3.88Å; W748-F764 HydrophobicContact CE3-CE1 3.88Å; W748-F764 HydrophobicContact CG-CD1 4.49Å; W748-F764 HydrophobicContact CH2-CE1 4.24Å; W748-F764 HydrophobicContact CZ3-CD1 4.33Å; W748-F764 AromaticContact CZ3-CE1 3.84Å; W748-F764 HydrophobicContact CZ3-CE1 3.84Å; A760-F764 WeakPolarHBondContact O-CB 3.4Å; A760-F764 PolarHBondContact O-N 3.49Å; A761-F764 PolarHBondContact O-N 3.29Å; E762-F764 VanDerWaalsContact C-N 3.34Å; F764-N766 PolarHBondContact O-N 3.46Å; F764-L767 CarbonylContact O-C 3.48Å; F764-L767 WeakPolarHBondContact O-CA 3.42Å; F764-L767 WeakPolarHBondContact O-CB 3.41Å; F764-L767 PolarHBondContact O-N 2.93Å; F764-L767 VanDerWaalsContact O-N 3.11Å; F764-L768 PolarHBondContact O-N 3.02Å; F764-V773 HydrophobicContact CD2-CG1 4.27Å; F764-V773 HydrophobicContact CE2-CG1 3.74Å; F764-V777 HydrophobicContact CE2-CG2 3.99Å; F764-V777 HydrophobicContact CZ-CG2 4.01Å; F764-W788 HydrophobicContact CB-CH2 3.98Å; F764-W788 HydrophobicContact CB-CZ2 3.66Å; F764-W788 AromaticContact CD1-CZ2 3.81Å; F764-W788 HydrophobicContact CD1-CZ2 3.81Å; F764-W788 HydrophobicContact CD2-CZ2 4.01Å; F764-W788 HydrophobicContact CG-CH2 4.35Å; F764-W788 AromaticContact CG-CZ2 3.53Å; F764-W788 HydrophobicContact CG-CZ2 3.53Å |
| 765 | L | 97.7 | Very high | 95.6 | Very high | 25 Ų | 25 | 33 Ų | 33 | 13% | 0.131 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.9 | -50 | 174.4 | 175 | 62.4 | 0 | 0 | 0 | 111.3 | A761 E762 L763 L767 L768 W788 A805 L809 | A761-L765 WeakPolarHBondContact O-CB 3.26Å; A761-L765 PolarHBondContact O-N 2.76Å; E762-L765 WeakPolarHBondContact O-CB 3.46Å; E762-L765 PolarHBondContact O-N 3.18Å; L763-L765 VanDerWaalsContact C-N 3.31Å; L763-L765 PolarHBondContact O-N 2.92Å; L765-L767 VanDerWaalsContact C-N 3.25Å; L765-L767 PolarHBondContact O-N 3.43Å; L765-L768 WeakPolarHBondContact O-CB 3.4Å; L765-L768 PolarHBondContact O-N 3.32Å; L765-L768 VanDerWaalsContact O-N 3.09Å; L765-W788 HydrophobicContact CB-CH2 4.31Å; L765-A805 HydrophobicContact CD1-CB 3.85Å; L765-A805 HydrophobicContact CD2-CB 3.7Å; L765-A805 HydrophobicContact CG-CB 4.45Å; L765-L809 HydrophobicContact CD1-CD1 3.71Å |
| 766 | N | 96.9 | Very high | 95.5 | Very high | 34 Ų | 34 | 31 Ų | 31 | 18% | 0.182 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.1 | -34.6 | 177.9 | -76 | -3.9 | 0 | 0 | 0 | 112 | T722 A725 R732 E762 L763 F764 L768 H769 | T722-N766 WeakPolarHBondContact CG2-ND2 3.47Å; T722-N766 PolarHBondContact O-ND2 2.95Å; A725-N766 HydrophobicContact CB-CB 3.75Å; R732-N766 WeakPolarHBondContact CD-O 3.23Å; E762-N766 PolarHBondContact O-N 3.41Å; E762-N766 VanDerWaalsContact O-N 3.12Å; L763-N766 PolarHBondContact O-N 3.16Å; F764-N766 PolarHBondContact O-N 3.46Å; N766-L768 VanDerWaalsContact C-N 3.34Å; N766-H769 PolarHBondContact O-N 3.14Å |
| 767 | L | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.9 | -24.1 | 175.6 | -69.2 | 173.8 | 0 | 0 | 0 | 113.3 | A725 R732 M735 V740 L741 M744 L763 F764 L765 H769 C770 V773 | A725-L767 HydrophobicContact CB-CD2 4.42Å; R732-L767 HydrophobicContact CB-CD2 4.36Å; R732-L767 HydrophobicContact CG-CD2 4.34Å; M735-L767 HydrophobicContact CB-CD2 4.27Å; M735-L767 HydrophobicContact SD-CD2 3.95Å; V740-L767 HydrophobicContact CG1-CD1 3.68Å; V740-L767 HydrophobicContact CG1-CD2 4.5Å; V740-L767 HydrophobicContact CG2-CD1 4.43Å; L741-L767 HydrophobicContact CD2-CD1 3.95Å; M744-L767 HydrophobicContact CE-CD1 4.22Å; M744-L767 HydrophobicContact SD-CD1 4.25Å; L763-L767 HydrophobicContact CD1-CD1 4.16Å; L763-L767 HydrophobicContact CD1-CG 4.19Å; L763-L767 HydrophobicContact CG-CD1 4.05Å; L763-L767 HydrophobicContact CG-CG 4.5Å; L763-L767 WeakPolarHBondContact O-CG 3.37Å; L763-L767 PolarHBondContact O-N 2.94Å; F764-L767 CarbonylContact O-C 3.48Å; F764-L767 WeakPolarHBondContact O-CA 3.42Å; F764-L767 WeakPolarHBondContact O-CB 3.41Å; F764-L767 PolarHBondContact O-N 2.93Å; F764-L767 VanDerWaalsContact O-N 3.11Å; L765-L767 VanDerWaalsContact C-N 3.25Å; L765-L767 PolarHBondContact O-N 3.43Å; L767-H769 PolarHBondContact O-N 3.27Å; L767-C770 WeakPolarHBondContact O-CB 3.46Å; L767-C770 PolarHBondContact O-N 2.92Å; L767-V773 HydrophobicContact CB-CG1 4.22Å; L767-V773 HydrophobicContact CB-CG2 4.39Å; L767-V773 VanDerWaalsContact O-CB 3.3Å; L767-V773 WeakPolarHBondContact O-CB 3.47Å |
| 768 | L | 95.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62 | -23.9 | 176.1 | -76.4 | 175.5 | 0 | 0 | 0 | 112.9 | F764 L765 N766 C770 V773 V777 W788 L809 L810 | F764-L768 PolarHBondContact O-N 3.02Å; L765-L768 WeakPolarHBondContact O-CB 3.4Å; L765-L768 PolarHBondContact O-N 3.32Å; L765-L768 VanDerWaalsContact O-N 3.09Å; N766-L768 VanDerWaalsContact C-N 3.34Å; L768-C770 PolarHBondContact O-N 3.38Å; L768-V773 HydrophobicContact CD2-CG1 4.44Å; L768-V777 HydrophobicContact CD2-CB 4.25Å; L768-V777 HydrophobicContact CD2-CG2 3.83Å; L768-W788 HydrophobicContact CD1-CH2 4.36Å; L768-W788 HydrophobicContact CD1-CZ2 3.81Å; L768-W788 HydrophobicContact CG-CZ2 4.39Å; L768-L809 HydrophobicContact CB-CD1 4.41Å; L768-L810 HydrophobicContact CD1-CD1 4.32Å; L768-L810 HydrophobicContact CD1-CG 4.33Å; L768-L810 HydrophobicContact CD2-CD2 4.03Å; L768-L810 HydrophobicContact CD2-CG 4.45Å |
| 769 | H | 93.6 | Very high | 94.8 | Very high | 97 Ų | 97 | 33.6 Ų | 33.6 | 45% | 0.449 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.5 | 172 | -66.9 | -68.6 | 0 | 0 | 0 | 113 | N766 L767 P771 | N766-H769 PolarHBondContact O-N 3.14Å; L767-H769 PolarHBondContact O-N 3.27Å; H769-P771 WeakPolarHBondContact O-CD 3.45Å |
| 770 | C | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -78.8 | 121.9 | 172.6 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | R732 M733 L767 L768 Q772 V773 F774 | R732-C770 HydrophobicContact CB-CB 4.09Å; M733-C770 VanDerWaalsContact CE-SG 3.58Å; L767-C770 WeakPolarHBondContact O-CB 3.46Å; L767-C770 PolarHBondContact O-N 2.92Å; L768-C770 PolarHBondContact O-N 3.38Å; C770-Q772 PolarHBondContact O-N 3.48Å; C770-V773 HydrophobicContact CB-CB 4.3Å; C770-V773 HydrophobicContact CB-CG2 3.92Å; C770-V773 PolarHBondContact O-N 3.26Å; C770-F774 PolarHBondContact O-N 3.05Å |
| 771 | P | 92 | Very high | 93.3 | Very high | 66 Ų | 66 | 40.2 Ų | 40.2 | 43% | 0.429 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.9 | -24.3 | -176.5 | -27.5 | 35.1 | 0 | 0 | 0 | 115.4 | H769 R775 | H769-P771 WeakPolarHBondContact O-CD 3.45Å; P771-R775 WeakPolarHBondContact O-CB 3.42Å; P771-R775 VanDerWaalsContact O-CG 3.29Å; P771-R775 WeakPolarHBondContact O-CG 3.46Å; P771-R775 PolarHBondContact O-N 3.37Å; P771-R775 PolarHBondContact O-NE 3.41Å |
| 772 | Q | 91.7 | Very high | 92.7 | Very high | 71 Ų | 71 | 41.7 Ų | 41.7 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -75 | -41 | 176.4 | -172.6 | -177.8 | 3.5 | 0 | 0 | 111.4 | C770 K776 | C770-Q772 PolarHBondContact O-N 3.48Å; Q772-K776 WeakPolarHBondContact O-CG 3.29Å; Q772-K776 PolarHBondContact O-N 3.07Å; Q772-K776 VanDerWaalsContact O-N 3.1Å |
| 773 | V | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.1 | -45.9 | 177.5 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | V736 L741 F764 L767 L768 C770 R775 K776 V777 | V736-V773 HydrophobicContact CG2-CG2 3.39Å; L741-V773 HydrophobicContact CD1-CG1 4.17Å; L741-V773 HydrophobicContact CD1-CG2 4.18Å; L741-V773 HydrophobicContact CD2-CG1 4.04Å; F764-V773 HydrophobicContact CD2-CG1 4.27Å; F764-V773 HydrophobicContact CE2-CG1 3.74Å; L767-V773 HydrophobicContact CB-CG1 4.22Å; L767-V773 HydrophobicContact CB-CG2 4.39Å; L767-V773 VanDerWaalsContact O-CB 3.3Å; L767-V773 WeakPolarHBondContact O-CB 3.47Å; L768-V773 HydrophobicContact CD2-CG1 4.44Å; C770-V773 HydrophobicContact CB-CB 4.3Å; C770-V773 HydrophobicContact CB-CG2 3.92Å; C770-V773 PolarHBondContact O-N 3.26Å; V773-R775 VanDerWaalsContact C-N 3.31Å; V773-R775 PolarHBondContact O-N 3.09Å; V773-K776 WeakPolarHBondContact O-CB 3.46Å; V773-K776 PolarHBondContact O-N 2.71Å; V773-V777 PolarHBondContact O-N 2.91Å; V773-V777 VanDerWaalsContact O-N 3.11Å |
| 774 | F | 95 | Very high | 91.8 | Very high | 42 Ų | 42 | 46.4 Ų | 46.4 | 18% | 0.184 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -50.3 | -52.4 | 173.2 | -171.3 | -81.7 | 0 | 0 | 0 | 111 | C770 K776 V777 A778 L809 L810 D813 | C770-F774 PolarHBondContact O-N 3.05Å; F774-K776 VanDerWaalsContact C-N 3.33Å; F774-K776 PolarHBondContact O-N 3.23Å; F774-V777 PolarHBondContact O-N 3.45Å; F774-V777 VanDerWaalsContact O-N 3.1Å; F774-A778 HydrophobicContact CD1-CB 4.04Å; F774-A778 HydrophobicContact CE1-CB 3.88Å; F774-A778 VanDerWaalsContact O-CB 3.27Å; F774-A778 WeakPolarHBondContact O-CB 3.44Å; F774-A778 PolarHBondContact O-N 2.97Å; F774-L809 WeakPolarHBondContact CE2-O 3.37Å; F774-L810 HydrophobicContact CD2-CD2 4.09Å; F774-L810 HydrophobicContact CE2-CD2 3.94Å; F774-L810 HydrophobicContact CZ-CD2 4.28Å; F774-D813 HydrophobicContact CE1-CB 3.93Å; F774-D813 HydrophobicContact CZ-CB 3.93Å |
| 775 | R | 93.2 | Very high | 91.5 | Very high | 158 Ų | 158 | 46.5 Ų | 46.5 | 60% | 0.596 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -59.4 | -39.1 | 177.6 | -81.1 | -178.2 | -83.6 | 173.4 | -10.8 | 113 | P771 V773 V777 A778 T779 | P771-R775 WeakPolarHBondContact O-CB 3.42Å; P771-R775 VanDerWaalsContact O-CG 3.29Å; P771-R775 WeakPolarHBondContact O-CG 3.46Å; P771-R775 PolarHBondContact O-N 3.37Å; P771-R775 PolarHBondContact O-NE 3.41Å; V773-R775 VanDerWaalsContact C-N 3.31Å; V773-R775 PolarHBondContact O-N 3.09Å; R775-V777 VanDerWaalsContact C-N 3.28Å; R775-V777 PolarHBondContact O-N 3.14Å; R775-A778 PolarHBondContact O-N 3Å; R775-T779 VanDerWaalsContact O-CB 3.31Å; R775-T779 WeakPolarHBondContact O-CB 3.38Å; R775-T779 VanDerWaalsContact O-CG2 3.25Å; R775-T779 WeakPolarHBondContact O-CG2 3.27Å; R775-T779 PolarHBondContact O-N 3.38Å; R775-T779 PolarHBondContact O-OG1 3Å |
| 776 | K | 92 | Very high | 91.1 | Very high | 85 Ų | 85 | 49 Ų | 49 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -31.9 | 176.7 | -77.6 | -179.3 | 174.9 | -175.7 | 0 | 112.9 | L741 Q772 V773 F774 N782 | L741-K776 HydrophobicContact CD1-CD 4.02Å; Q772-K776 WeakPolarHBondContact O-CG 3.29Å; Q772-K776 PolarHBondContact O-N 3.07Å; Q772-K776 VanDerWaalsContact O-N 3.1Å; V773-K776 WeakPolarHBondContact O-CB 3.46Å; V773-K776 PolarHBondContact O-N 2.71Å; F774-K776 VanDerWaalsContact C-N 3.33Å; F774-K776 PolarHBondContact O-N 3.23Å; K776-N782 PolarHBondContact O-ND2 3.18Å |
| 777 | V | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -83.7 | -41.8 | 176.7 | -177.3 | 0 | 0 | 0 | 0 | 111 | F764 L768 V773 F774 R775 T779 R784 L785 L810 R819 | F764-V777 HydrophobicContact CE2-CG2 3.99Å; F764-V777 HydrophobicContact CZ-CG2 4.01Å; L768-V777 HydrophobicContact CD2-CB 4.25Å; L768-V777 HydrophobicContact CD2-CG2 3.83Å; V773-V777 PolarHBondContact O-N 2.91Å; V773-V777 VanDerWaalsContact O-N 3.11Å; F774-V777 PolarHBondContact O-N 3.45Å; F774-V777 VanDerWaalsContact O-N 3.1Å; R775-V777 VanDerWaalsContact C-N 3.28Å; R775-V777 PolarHBondContact O-N 3.14Å; V777-T779 VanDerWaalsContact C-N 3.35Å; V777-T779 PolarHBondContact O-N 2.9Å; V777-R784 HydrophobicContact CG1-CB 4.09Å; V777-R784 HydrophobicContact CG2-CB 4.32Å; V777-L785 HydrophobicContact CG1-CB 4.5Å; V777-L810 HydrophobicContact CB-CD2 3.98Å; V777-L810 HydrophobicContact CG1-CD1 3.71Å; V777-L810 HydrophobicContact CG1-CD2 3.76Å; V777-L810 HydrophobicContact CG1-CG 4.42Å; V777-R819 PolarHBondContact O-NH1 3.03Å; V777-R819 VanDerWaalsContact O-NH1 3.09Å |
| 778 | A | 90.7 | Very high | 90.7 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.033 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.5 | -27 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F774 R775 V816 R819 | F774-A778 HydrophobicContact CD1-CB 4.04Å; F774-A778 HydrophobicContact CE1-CB 3.88Å; F774-A778 VanDerWaalsContact O-CB 3.27Å; F774-A778 WeakPolarHBondContact O-CB 3.44Å; F774-A778 PolarHBondContact O-N 2.97Å; R775-A778 PolarHBondContact O-N 3Å; A778-V816 HydrophobicContact CB-CG2 3.5Å; A778-R819 PolarHBondContact O-NH1 2.77Å |
| 779 | T | 87.8 | Confident | 90.5 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 46% | 0.46 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -77.7 | 142.4 | 173.9 | 48.9 | 0 | 0 | 0 | 0 | 112 | R775 V777 N782 R819 | R775-T779 VanDerWaalsContact O-CB 3.31Å; R775-T779 WeakPolarHBondContact O-CB 3.38Å; R775-T779 VanDerWaalsContact O-CG2 3.25Å; R775-T779 WeakPolarHBondContact O-CG2 3.27Å; R775-T779 PolarHBondContact O-N 3.38Å; R775-T779 PolarHBondContact O-OG1 3Å; V777-T779 VanDerWaalsContact C-N 3.35Å; V777-T779 PolarHBondContact O-N 2.9Å; T779-N782 PolarHBondContact O-ND2 3.07Å; T779-N782 VanDerWaalsContact O-ND2 3.17Å; T779-R819 PolarHBondContact O-NH1 2.9Å |
| 780 | G | 80.8 | Confident | 90.3 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 49% | 0.485 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -68.2 | 173.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 781 | G | 81.2 | Confident | 90.3 | Very high | 91 Ų | 91 | 47.9 Ų | 47.9 | 94% | 0.938 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 88.4 | 7.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 782 | N | 84.7 | Confident | 90.3 | Very high | 31 Ų | 31 | 44.8 Ų | 44.8 | 17% | 0.166 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -139.2 | 159.4 | 170.2 | 66.1 | 78.5 | 0 | 0 | 0 | 110.7 | K776 T779 R784 | K776-N782 PolarHBondContact O-ND2 3.18Å; T779-N782 PolarHBondContact O-ND2 3.07Å; T779-N782 VanDerWaalsContact O-ND2 3.17Å; N782-R784 VanDerWaalsContact OD1-CB 3.24Å; N782-R784 WeakPolarHBondContact OD1-CB 3.21Å; N782-R784 WeakPolarHBondContact OD1-CG 3.38Å; N782-R784 PolarHBondContact OD1-N 2.63Å; N782-R784 VanDerWaalsContact OD1-N 3.15Å |
| 783 | D | 86.7 | Confident | 90.2 | Very high | 92 Ų | 92 | 44 Ų | 44 | 49% | 0.492 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -91.9 | 7.9 | -176.5 | -63.5 | -49.5 | 0 | 0 | 0 | 113.6 | L785 K786 L787 | D783-L785 PolarHBondContact O-N 3.47Å; D783-K786 HydrophobicContact CB-CD 4.49Å; D783-K786 WeakPolarHBondContact O-CB 3.5Å; D783-K786 PolarHBondContact O-N 2.75Å; D783-K786 WeakPolarHBondContact OD1-CD 3.42Å; D783-K786 IonicContact OD1-NZ 2.77Å; D783-K786 PolarHBondContact OD1-NZ 3.09Å; D783-L787 WeakPolarHBondContact O-CG 3.36Å; D783-L787 PolarHBondContact O-N 2.82Å |
| 784 | R | 92 | Very high | 90 | Very high | 53 Ų | 53 | 47.7 Ų | 47.7 | 20% | 0.2 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | -175.7 | -62.5 | 176.9 | 173.4 | 95.2 | 9.8 | 111.9 | E745 V777 N782 K786 L787 W788 | E745-R784 IonicContact OE1-CZ 3.91Å; E745-R784 IonicContact OE1-NE 3.14Å; E745-R784 PolarHBondContact OE1-NE 3.48Å; E745-R784 IonicContact OE1-NH2 3.03Å; E745-R784 PolarHBondContact OE1-NH2 2.83Å; E745-R784 IonicContact OE2-CZ 2.63Å; E745-R784 IonicContact OE2-NH2 2.65Å; E745-R784 PolarHBondContact OE2-NH2 3.48Å; V777-R784 HydrophobicContact CG1-CB 4.09Å; V777-R784 HydrophobicContact CG2-CB 4.32Å; N782-R784 VanDerWaalsContact OD1-CB 3.24Å; N782-R784 WeakPolarHBondContact OD1-CB 3.21Å; N782-R784 WeakPolarHBondContact OD1-CG 3.38Å; N782-R784 PolarHBondContact OD1-N 2.63Å; N782-R784 VanDerWaalsContact OD1-N 3.15Å; R784-K786 VanDerWaalsContact C-N 3.3Å; R784-K786 PolarHBondContact O-N 3.1Å; R784-L787 PolarHBondContact O-N 2.94Å; R784-W788 PolarHBondContact O-N 3.24Å |
| 785 | L | 91.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 178 | 178.6 | 60.1 | 0 | 0 | 0 | 111.2 | V777 D783 L787 W788 V789 L810 V816 R819 I820 | V777-L785 HydrophobicContact CG1-CB 4.5Å; D783-L785 PolarHBondContact O-N 3.47Å; L785-L787 VanDerWaalsContact C-N 3.34Å; L785-L787 PolarHBondContact O-N 2.73Å; L785-W788 PolarHBondContact O-N 2.73Å; L785-V789 HydrophobicContact CD1-CG2 4.47Å; L785-V789 WeakPolarHBondContact O-CG2 3.37Å; L785-V789 PolarHBondContact O-N 3.07Å; L785-V789 VanDerWaalsContact O-N 3.1Å; L785-L810 HydrophobicContact CD1-CD1 4.16Å; L785-V816 HydrophobicContact CD1-CG1 3.64Å; L785-V816 HydrophobicContact CD2-CG1 3.91Å; L785-V816 HydrophobicContact CG-CG1 4.45Å; L785-R819 HydrophobicContact CD2-CB 3.79Å; L785-I820 HydrophobicContact CD1-CG1 4.18Å; L785-I820 HydrophobicContact CD2-CG1 4.24Å; L785-I820 HydrophobicContact CG-CG1 4.39Å |
| 786 | K | 89 | Confident | 89.6 | Confident | 77 Ų | 77 | 48.8 Ų | 48.8 | 34% | 0.335 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 177.4 | -60.9 | 178.5 | -170.5 | 157.8 | 0 | 111.4 | D783 R784 V789 L790 E823 | D783-K786 HydrophobicContact CB-CD 4.49Å; D783-K786 WeakPolarHBondContact O-CB 3.5Å; D783-K786 PolarHBondContact O-N 2.75Å; D783-K786 WeakPolarHBondContact OD1-CD 3.42Å; D783-K786 IonicContact OD1-NZ 2.77Å; D783-K786 PolarHBondContact OD1-NZ 3.09Å; R784-K786 VanDerWaalsContact C-N 3.3Å; R784-K786 PolarHBondContact O-N 3.1Å; K786-V789 PolarHBondContact O-N 3.09Å; K786-L790 WeakPolarHBondContact O-CB 3.4Å; K786-L790 WeakPolarHBondContact O-CG 3.48Å; K786-L790 PolarHBondContact O-N 2.83Å; K786-E823 VanDerWaalsContact CE-OE2 3.26Å; K786-E823 WeakPolarHBondContact CE-OE2 3.37Å; K786-E823 HydrophobicContact CG-CB 4.46Å |
| 787 | L | 91.4 | Very high | 89.7 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 18% | 0.183 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 178.8 | -70.9 | 174.1 | 0 | 0 | 0 | 112.3 | W748 F749 D783 R784 L785 V789 L790 Y791 | W748-L787 HydrophobicContact CH2-CB 3.43Å; W748-L787 VanDerWaalsContact CH2-CB 3.43Å; W748-L787 HydrophobicContact CH2-CD1 4.21Å; W748-L787 HydrophobicContact CH2-CG 4.49Å; W748-L787 HydrophobicContact CZ2-CB 3.98Å; W748-L787 HydrophobicContact CZ3-CB 4.01Å; W748-L787 HydrophobicContact CZ3-CD1 3.91Å; F749-L787 HydrophobicContact CD1-CD1 3.7Å; F749-L787 HydrophobicContact CE1-CD1 3.31Å; F749-L787 HydrophobicContact CZ-CD1 4.4Å; D783-L787 WeakPolarHBondContact O-CG 3.36Å; D783-L787 PolarHBondContact O-N 2.82Å; R784-L787 PolarHBondContact O-N 2.94Å; L785-L787 VanDerWaalsContact C-N 3.34Å; L785-L787 PolarHBondContact O-N 2.73Å; L787-V789 VanDerWaalsContact C-N 3.31Å; L787-V789 PolarHBondContact O-N 3.1Å; L787-L790 HydrophobicContact CD2-CD1 4.27Å; L787-L790 PolarHBondContact O-N 3.41Å; L787-Y791 HydrophobicContact CB-CE2 4.43Å; L787-Y791 HydrophobicContact CD2-CE1 4.02Å; L787-Y791 WeakPolarHBondContact O-CB 3.38Å; L787-Y791 WeakPolarHBondContact O-CD1 3.35Å; L787-Y791 PolarHBondContact O-N 3.12Å |
| 788 | W | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.6 | -45 | 172.7 | -83.7 | 116.2 | 0 | 0 | 0 | 112.3 | W748 F764 L765 L768 R784 L785 C792 V807 L810 | W748-W788 AromaticContact CH2-CD1 3.99Å; W748-W788 HydrophobicContact CH2-CD2 4.48Å; W748-W788 HydrophobicContact CH2-CG 4.26Å; W748-W788 AromaticContact CZ2-CD2 3.89Å; W748-W788 HydrophobicContact CZ2-CD2 3.89Å; W748-W788 AromaticContact CZ2-CE2 4Å; W748-W788 HydrophobicContact CZ2-CE3 4.35Å; W748-W788 HydrophobicContact CZ2-CG 4.05Å; F764-W788 HydrophobicContact CB-CH2 3.98Å; F764-W788 HydrophobicContact CB-CZ2 3.66Å; F764-W788 AromaticContact CD1-CZ2 3.81Å; F764-W788 HydrophobicContact CD1-CZ2 3.81Å; F764-W788 HydrophobicContact CD2-CZ2 4.01Å; F764-W788 HydrophobicContact CG-CH2 4.35Å; F764-W788 AromaticContact CG-CZ2 3.53Å; F764-W788 HydrophobicContact CG-CZ2 3.53Å; L765-W788 HydrophobicContact CB-CH2 4.31Å; L768-W788 HydrophobicContact CD1-CH2 4.36Å; L768-W788 HydrophobicContact CD1-CZ2 3.81Å; L768-W788 HydrophobicContact CG-CZ2 4.39Å; R784-W788 PolarHBondContact O-N 3.24Å; L785-W788 PolarHBondContact O-N 2.73Å; W788-C792 PolarHBondContact O-N 2.83Å; W788-C792 PolarHBondContact O-SG 3.47Å; W788-V807 HydrophobicContact CB-CG2 3.89Å; W788-L810 HydrophobicContact CG-CD1 4.27Å |
| 789 | V | 92.1 | Very high | 90.1 | Very high | 9 Ų | 9 | 52 Ų | 52 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.2 | -45.8 | 177.5 | 175 | 0 | 0 | 0 | 0 | 110.8 | L785 K786 L787 Y791 C792 V807 I820 I834 F835 | L785-V789 HydrophobicContact CD1-CG2 4.47Å; L785-V789 WeakPolarHBondContact O-CG2 3.37Å; L785-V789 PolarHBondContact O-N 3.07Å; L785-V789 VanDerWaalsContact O-N 3.1Å; K786-V789 PolarHBondContact O-N 3.09Å; L787-V789 VanDerWaalsContact C-N 3.31Å; L787-V789 PolarHBondContact O-N 3.1Å; V789-Y791 VanDerWaalsContact C-N 3.28Å; V789-Y791 PolarHBondContact O-N 3.38Å; V789-C792 VanDerWaalsContact O-CB 3.28Å; V789-C792 WeakPolarHBondContact O-CB 3.37Å; V789-C792 PolarHBondContact O-N 3.4Å; V789-C792 VanDerWaalsContact O-N 3.14Å; V789-V807 HydrophobicContact CG2-CG2 4.21Å; V789-I820 HydrophobicContact CG2-CD1 4.44Å; V789-I820 HydrophobicContact CG2-CG1 4.16Å; V789-I834 HydrophobicContact CG1-CD1 3.9Å; V789-I834 HydrophobicContact CG1-CG2 4.28Å; V789-I834 WeakPolarHBondContact O-CG2 3.38Å; V789-F835 HydrophobicContact CG1-CE2 4.49Å |
| 790 | L | 90.4 | Very high | 90.5 | Very high | 52 Ų | 52 | 48.6 Ų | 48.6 | 27% | 0.272 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.6 | -43.4 | 176.2 | -83.2 | 170.2 | 0 | 0 | 0 | 112.2 | K786 L787 C792 N793 V828 P829 I834 | K786-L790 WeakPolarHBondContact O-CB 3.4Å; K786-L790 WeakPolarHBondContact O-CG 3.48Å; K786-L790 PolarHBondContact O-N 2.83Å; L787-L790 HydrophobicContact CD2-CD1 4.27Å; L787-L790 PolarHBondContact O-N 3.41Å; L790-C792 PolarHBondContact O-N 3.43Å; L790-N793 PolarHBondContact O-N 2.87Å; L790-N793 VanDerWaalsContact O-N 3.16Å; L790-V828 HydrophobicContact CD1-CG1 4.4Å; L790-V828 HydrophobicContact CD2-CG1 3.32Å; L790-V828 HydrophobicContact CG-CG1 3.96Å; L790-P829 HydrophobicContact CD2-CG 4.24Å; L790-I834 HydrophobicContact CD2-CD1 4.16Å |
| 791 | Y | 92.7 | Very high | 91.3 | Very high | 14 Ų | 14 | 48.3 Ų | 48.3 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -75.3 | -5.6 | -176.9 | -62.4 | -5.9 | 0 | 0 | 0 | 113.6 | W748 L787 V789 N793 E794 L799 S803 | W748-Y791 AromaticContact CD1-CE2 3.98Å; W748-Y791 HydrophobicContact CD2-CE2 4.04Å; W748-Y791 AromaticContact CE2-CD2 3.71Å; W748-Y791 AromaticContact CE2-CE2 3.46Å; W748-Y791 VanDerWaalsContact CE2-CE2 3.46Å; W748-Y791 HydrophobicContact CG-CE2 4.35Å; W748-Y791 AromaticContact CZ2-CD2 3.81Å; W748-Y791 HydrophobicContact CZ2-CD2 3.81Å; W748-Y791 AromaticContact CZ2-CE2 3.76Å; W748-Y791 HydrophobicContact CZ2-CE2 3.76Å; W748-Y791 AromaticContact NE1-CD2 3.46Å; W748-Y791 AromaticContact NE1-CE2 3.43Å; W748-Y791 PolarHBondContact O-OH 2.99Å; L787-Y791 HydrophobicContact CB-CE2 4.43Å; L787-Y791 HydrophobicContact CD2-CE1 4.02Å; L787-Y791 WeakPolarHBondContact O-CB 3.38Å; L787-Y791 WeakPolarHBondContact O-CD1 3.35Å; L787-Y791 PolarHBondContact O-N 3.12Å; V789-Y791 VanDerWaalsContact C-N 3.28Å; V789-Y791 PolarHBondContact O-N 3.38Å; Y791-N793 PolarHBondContact O-N 3.28Å; Y791-E794 HydrophobicContact CD1-CG 4.15Å; Y791-L799 HydrophobicContact CD2-CD1 3.99Å; Y791-L799 HydrophobicContact CD2-CD2 4.37Å; Y791-L799 HydrophobicContact CG-CD1 4.42Å; Y791-L799 HydrophobicContact CG-CD2 4.2Å; Y791-L799 HydrophobicContact CG-CG 4.5Å; Y791-S803 VanDerWaalsContact C-CB 3.5Å; Y791-S803 WeakPolarHBondContact CB-OG 3.2Å; Y791-S803 WeakPolarHBondContact O-CB 3.45Å; Y791-S803 PolarHBondContact O-OG 3.2Å |
| 792 | C | 92.6 | Very high | 92 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -68.4 | -12.6 | 167.2 | -65.9 | 0 | 0 | 0 | 0 | 113 | W788 V789 L790 V800 V804 I834 | W788-C792 PolarHBondContact O-N 2.83Å; W788-C792 PolarHBondContact O-SG 3.47Å; V789-C792 VanDerWaalsContact O-CB 3.28Å; V789-C792 WeakPolarHBondContact O-CB 3.37Å; V789-C792 PolarHBondContact O-N 3.4Å; V789-C792 VanDerWaalsContact O-N 3.14Å; L790-C792 PolarHBondContact O-N 3.43Å; C792-V800 WeakPolarHBondContact O-CG1 3.32Å; C792-V804 HydrophobicContact CB-CG1 3.79Å; C792-I834 HydrophobicContact CB-CG2 3.89Å |
| 793 | N | 88.4 | Confident | 92.5 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -135.5 | 54.5 | -178.4 | -164.8 | 47.6 | 0 | 0 | 0 | 112.1 | L790 Y791 I834 E837 | L790-N793 PolarHBondContact O-N 2.87Å; L790-N793 VanDerWaalsContact O-N 3.16Å; Y791-N793 PolarHBondContact O-N 3.28Å; N793-I834 HydrophobicContact CB-CB 4.39Å; N793-I834 HydrophobicContact CB-CG1 4.48Å; N793-I834 HydrophobicContact CB-CG2 3.86Å; N793-E837 PolarHBondContact ND2-OE2 2.95Å; N793-E837 WeakPolarHBondContact OD1-CB 3.42Å; N793-E837 PolarHBondContact OD1-OE2 2.96Å |
| 794 | E | 90.4 | Very high | 93 | Very high | 76 Ų | 76 | 38.5 Ų | 38.5 | 36% | 0.355 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -107.4 | 166 | 173.3 | -78.2 | -82.9 | -164 | 0 | 0 | 110.1 | R757 Y791 L799 V800 | R757-E794 IonicContact CZ-OE1 3.45Å; R757-E794 IonicContact NH1-OE1 2.69Å; R757-E794 IonicContact NH1-OE2 3.07Å; R757-E794 IonicContact NH2-OE1 3.55Å; R757-E794 PolarHBondContact NH2-OE1 3.35Å; Y791-E794 HydrophobicContact CD1-CG 4.15Å; E794-L799 HydrophobicContact CB-CD2 4.06Å; E794-L799 HydrophobicContact CG-CD2 4.07Å; E794-V800 HydrophobicContact CB-CG2 4.22Å; E794-V800 WeakPolarHBondContact O-CG2 3.38Å |
| 795 | E | 89 | Confident | 93.3 | Very high | 188 Ų | 188 | 36.6 Ų | 36.6 | 88% | 0.879 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -70.9 | -33.4 | -179.6 | -62.9 | -174.1 | 177.2 | 0 | 0 | 112.7 | E797 | E795-E797 PolarHBondContact O-N 3.39Š|
| 796 | D | 92.4 | Very high | 93.5 | Very high | 35 Ų | 35 | 36.4 Ų | 36.4 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | trans | -74.3 | 106 | 179.5 | 177.5 | 10.7 | 0 | 0 | 0 | 111.6 | R798 L799 V800 | D796-R798 PolarHBondContact O-N 3.3Å; D796-R798 WeakPolarHBondContact OD1-CB 3.43Å; D796-R798 PolarHBondContact OD1-N 2.88Å; D796-L799 HydrophobicContact CB-CB 4.06Å; D796-L799 WeakPolarHBondContact O-CB 3.42Å; D796-L799 PolarHBondContact O-N 3.43Å; D796-L799 VanDerWaalsContact O-N 3.14Å; D796-V800 WeakPolarHBondContact O-CG2 3.32Å; D796-V800 PolarHBondContact O-N 3.48Å | ||
| 797 | E | 93.4 | Very high | 93.8 | Very high | 92 Ų | 92 | 32.8 Ų | 32.8 | 43% | 0.43 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -56.8 | -33.8 | 179.8 | -174 | 173.7 | -155.9 | 0 | 0 | 113.3 | E795 V800 L801 N843 | E795-E797 PolarHBondContact O-N 3.39Å; E797-V800 PolarHBondContact O-N 3.06Å; E797-L801 HydrophobicContact CG-CD1 4.2Å; E797-L801 WeakPolarHBondContact O-CB 3.47Å; E797-L801 WeakPolarHBondContact O-CG 3.44Å; E797-L801 PolarHBondContact O-N 3.16Å; E797-N843 VanDerWaalsContact OE1-CB 3.26Å; E797-N843 WeakPolarHBondContact OE1-CB 3.45Å; E797-N843 PolarHBondContact OE1-ND2 3.49Å |
| 798 | R | 95.4 | Very high | 94.1 | Very high | 65 Ų | 65 | 31.6 Ų | 31.6 | 25% | 0.245 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.3 | -42.1 | 179.5 | -173.2 | -175 | 171.7 | -167.4 | -0.6 | 111 | Y715 A758 E762 D796 S802 | Y715-R798 PolarHBondContact OH-NH1 2.73Å; A758-R798 HydrophobicContact CB-CB 4.08Å; A758-R798 HydrophobicContact CB-CG 3.84Å; E762-R798 VanDerWaalsContact CD-NH2 3.26Å; E762-R798 IonicContact OE1-CZ 2.6Å; E762-R798 IonicContact OE1-NE 3.36Å; E762-R798 PolarHBondContact OE1-NE 3.23Å; E762-R798 IonicContact OE1-NH2 3.29Å; E762-R798 PolarHBondContact OE1-NH2 3.49Å; E762-R798 IonicContact OE2-CZ 3.7Å; E762-R798 IonicContact OE2-NE 2.99Å; E762-R798 IonicContact OE2-NH2 2.74Å; E762-R798 PolarHBondContact OE2-NH2 2.88Å; D796-R798 PolarHBondContact O-N 3.3Å; D796-R798 WeakPolarHBondContact OD1-CB 3.43Å; D796-R798 PolarHBondContact OD1-N 2.88Å; R798-S802 PolarHBondContact O-N 3.24Å; R798-S802 PolarHBondContact O-OG 2.95Å; R798-S802 VanDerWaalsContact O-OG 3.06Å |
| 799 | L | 96 | Very high | 94.2 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 172.7 | 176.3 | 63.7 | 0 | 0 | 0 | 111 | R757 A758 A761 Y791 E794 D796 L801 S802 S803 | R757-L799 HydrophobicContact CG-CD2 4.38Å; A758-L799 HydrophobicContact CB-CB 4.41Å; A761-L799 HydrophobicContact CB-CD1 3.59Å; Y791-L799 HydrophobicContact CD2-CD1 3.99Å; Y791-L799 HydrophobicContact CD2-CD2 4.37Å; Y791-L799 HydrophobicContact CG-CD1 4.42Å; Y791-L799 HydrophobicContact CG-CD2 4.2Å; Y791-L799 HydrophobicContact CG-CG 4.5Å; E794-L799 HydrophobicContact CB-CD2 4.06Å; E794-L799 HydrophobicContact CG-CD2 4.07Å; D796-L799 HydrophobicContact CB-CB 4.06Å; D796-L799 WeakPolarHBondContact O-CB 3.42Å; D796-L799 PolarHBondContact O-N 3.43Å; D796-L799 VanDerWaalsContact O-N 3.14Å; L799-L801 PolarHBondContact O-N 3.05Å; L799-S802 PolarHBondContact O-N 3.3Å; L799-S803 VanDerWaalsContact O-CB 3.32Å; L799-S803 WeakPolarHBondContact O-CB 3.37Å; L799-S803 PolarHBondContact O-N 3.38Å; L799-S803 PolarHBondContact O-OG 3.33Å |
| 800 | V | 96.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.4 | -48.5 | 179.8 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | C792 E794 D796 E797 S802 S803 V804 V846 | C792-V800 WeakPolarHBondContact O-CG1 3.32Å; E794-V800 HydrophobicContact CB-CG2 4.22Å; E794-V800 WeakPolarHBondContact O-CG2 3.38Å; D796-V800 WeakPolarHBondContact O-CG2 3.32Å; D796-V800 PolarHBondContact O-N 3.48Å; E797-V800 PolarHBondContact O-N 3.06Å; V800-S802 VanDerWaalsContact C-N 3.29Å; V800-S802 PolarHBondContact O-N 2.69Å; V800-S803 PolarHBondContact O-N 3.14Å; V800-V804 HydrophobicContact CG1-CG1 4.29Å; V800-V804 WeakPolarHBondContact O-CG2 3.26Å; V800-V804 PolarHBondContact O-N 2.96Å; V800-V846 HydrophobicContact CG1-CG1 3.71Å; V800-V846 HydrophobicContact CG1-CG2 4Å |
| 801 | L | 96.5 | Very high | 94.7 | Very high | 42 Ų | 42 | 31.5 Ų | 31.5 | 22% | 0.22 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.7 | -41.5 | 179 | -84 | 167.5 | 0 | 0 | 0 | 113 | E797 L799 V804 A805 E845 V846 R849 | E797-L801 HydrophobicContact CG-CD1 4.2Å; E797-L801 WeakPolarHBondContact O-CB 3.47Å; E797-L801 WeakPolarHBondContact O-CG 3.44Å; E797-L801 PolarHBondContact O-N 3.16Å; L799-L801 PolarHBondContact O-N 3.05Å; L801-V804 WeakPolarHBondContact O-CG2 3.47Å; L801-A805 WeakPolarHBondContact O-CB 3.19Å; L801-A805 PolarHBondContact O-N 3.18Å; L801-E845 HydrophobicContact CD2-CB 3.99Å; L801-E845 HydrophobicContact CD2-CG 4.07Å; L801-V846 HydrophobicContact CD2-CG2 3.47Å; L801-V846 VanDerWaalsContact CD2-CG2 3.47Å; L801-V846 HydrophobicContact CG-CG2 3.79Å; L801-R849 PolarHBondContact O-NH1 2.96Å |
| 802 | S | 96.3 | Very high | 94.7 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 6% | 0.056 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70 | -39.1 | 176.7 | -58.1 | 0 | 0 | 0 | 0 | 111 | E762 R798 L799 V800 A805 G806 | E762-S802 WeakPolarHBondContact CG-OG 3.26Å; R798-S802 PolarHBondContact O-N 3.24Å; R798-S802 PolarHBondContact O-OG 2.95Å; R798-S802 VanDerWaalsContact O-OG 3.06Å; L799-S802 PolarHBondContact O-N 3.3Å; V800-S802 VanDerWaalsContact C-N 3.29Å; V800-S802 PolarHBondContact O-N 2.69Å; S802-A805 PolarHBondContact O-N 2.97Å; S802-G806 PolarHBondContact O-N 2.79Å |
| 803 | S | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.6 | -47.9 | -176.9 | -57.2 | 0 | 0 | 0 | 0 | 112.9 | Y791 L799 V800 A805 G806 V807 | Y791-S803 VanDerWaalsContact C-CB 3.5Å; Y791-S803 WeakPolarHBondContact CB-OG 3.2Å; Y791-S803 WeakPolarHBondContact O-CB 3.45Å; Y791-S803 PolarHBondContact O-OG 3.2Å; L799-S803 VanDerWaalsContact O-CB 3.32Å; L799-S803 WeakPolarHBondContact O-CB 3.37Å; L799-S803 PolarHBondContact O-N 3.38Å; L799-S803 PolarHBondContact O-OG 3.33Å; V800-S803 PolarHBondContact O-N 3.14Å; S803-A805 PolarHBondContact O-N 3.22Å; S803-G806 PolarHBondContact O-N 3Å; S803-G806 VanDerWaalsContact O-N 3.1Å; S803-V807 WeakPolarHBondContact O-CG2 3.28Å; S803-V807 PolarHBondContact O-N 3.1Å |
| 804 | V | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -31.6 | 174.8 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | C792 V800 L801 A808 V846 R849 | C792-V804 HydrophobicContact CB-CG1 3.79Å; V800-V804 HydrophobicContact CG1-CG1 4.29Å; V800-V804 WeakPolarHBondContact O-CG2 3.26Å; V800-V804 PolarHBondContact O-N 2.96Å; L801-V804 WeakPolarHBondContact O-CG2 3.47Å; V804-A808 VanDerWaalsContact O-CB 3.24Å; V804-A808 WeakPolarHBondContact O-CB 3.34Å; V804-A808 PolarHBondContact O-N 3.17Å; V804-V846 HydrophobicContact CG1-CG1 4.15Å; V804-R849 HydrophobicContact CB-CB 4.11Å; V804-R849 HydrophobicContact CG2-CB 3.81Å; V804-R849 HydrophobicContact CG2-CG 4.48Å |
| 805 | A | 96.9 | Very high | 95 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 10% | 0.099 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.7 | -42.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L765 L801 S802 S803 A808 L809 | L765-A805 HydrophobicContact CD1-CB 3.85Å; L765-A805 HydrophobicContact CD2-CB 3.7Å; L765-A805 HydrophobicContact CG-CB 4.45Å; L801-A805 WeakPolarHBondContact O-CB 3.19Å; L801-A805 PolarHBondContact O-N 3.18Å; S802-A805 PolarHBondContact O-N 2.97Å; S803-A805 PolarHBondContact O-N 3.22Å; A805-A808 PolarHBondContact O-N 3.43Å; A805-L809 WeakPolarHBondContact O-CG 3.24Å; A805-L809 PolarHBondContact O-N 3.31Å |
| 806 | G | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S802 S803 A808 L809 L810 | S802-G806 PolarHBondContact O-N 2.79Å; S803-G806 PolarHBondContact O-N 3Å; S803-G806 VanDerWaalsContact O-N 3.1Å; G806-A808 PolarHBondContact O-N 3.05Å; G806-L809 PolarHBondContact O-N 2.91Å; G806-L810 WeakPolarHBondContact O-CD1 3.28Å; G806-L810 VanDerWaalsContact O-CG 3.26Å; G806-L810 WeakPolarHBondContact O-CG 3.42Å; G806-L810 PolarHBondContact O-N 3.23Å |
| 807 | V | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.9 | -37.8 | 176.5 | -180 | 0 | 0 | 0 | 0 | 111.6 | W788 V789 S803 L809 L810 T811 I820 F835 C853 | W788-V807 HydrophobicContact CB-CG2 3.89Å; V789-V807 HydrophobicContact CG2-CG2 4.21Å; S803-V807 WeakPolarHBondContact O-CG2 3.28Å; S803-V807 PolarHBondContact O-N 3.1Å; V807-L809 VanDerWaalsContact C-N 3.3Å; V807-L809 PolarHBondContact O-N 2.9Å; V807-L810 PolarHBondContact O-N 3.21Å; V807-T811 HydrophobicContact CG1-CG2 4.03Å; V807-T811 WeakPolarHBondContact O-CB 3.17Å; V807-T811 VanDerWaalsContact O-CG2 3.28Å; V807-T811 WeakPolarHBondContact O-CG2 3.41Å; V807-T811 PolarHBondContact O-N 3.34Å; V807-T811 PolarHBondContact O-OG1 3.06Å; V807-I820 HydrophobicContact CG1-CD1 4.32Å; V807-F835 HydrophobicContact CG1-CE1 4.32Å; V807-F835 HydrophobicContact CG1-CZ 3.84Å; V807-C853 HydrophobicContact CG1-CB 4.5Å |
| 808 | A | 96.3 | Very high | 95 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.4 | -38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V804 A805 G806 T811 L852 C853 N856 | V804-A808 VanDerWaalsContact O-CB 3.24Å; V804-A808 WeakPolarHBondContact O-CB 3.34Å; V804-A808 PolarHBondContact O-N 3.17Å; A805-A808 PolarHBondContact O-N 3.43Å; G806-A808 PolarHBondContact O-N 3.05Å; A808-T811 PolarHBondContact O-OG1 3.39Å; A808-L852 HydrophobicContact CB-CD2 4.34Å; A808-C853 WeakPolarHBondContact CA-SG 3.08Å; A808-C853 PolarHBondContact N-SG 3.4Å; A808-N856 PolarHBondContact O-ND2 3.47Å |
| 809 | L | 96.4 | Very high | 94.8 | Very high | 57 Ų | 57 | 26.2 Ų | 26.2 | 30% | 0.298 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -67.5 | -45.3 | 173 | -69.2 | 172.6 | 0 | 0 | 0 | 111.6 | L765 L768 F774 A805 G806 V807 T811 D812 | L765-L809 HydrophobicContact CD1-CD1 3.71Å; L768-L809 HydrophobicContact CB-CD1 4.41Å; F774-L809 WeakPolarHBondContact CE2-O 3.37Å; A805-L809 WeakPolarHBondContact O-CG 3.24Å; A805-L809 PolarHBondContact O-N 3.31Å; G806-L809 PolarHBondContact O-N 2.91Å; V807-L809 VanDerWaalsContact C-N 3.3Å; V807-L809 PolarHBondContact O-N 2.9Å; L809-T811 VanDerWaalsContact C-N 3.33Å; L809-T811 PolarHBondContact O-N 3.28Å; L809-D812 WeakPolarHBondContact O-CB 3.36Å; L809-D812 PolarHBondContact O-N 3.42Å |
| 810 | L | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65 | -34.4 | -177.5 | -71.5 | 164.3 | 0 | 0 | 0 | 113 | L768 F774 V777 L785 W788 G806 V807 D812 D813 V816 | L768-L810 HydrophobicContact CD1-CD1 4.32Å; L768-L810 HydrophobicContact CD1-CG 4.33Å; L768-L810 HydrophobicContact CD2-CD2 4.03Å; L768-L810 HydrophobicContact CD2-CG 4.45Å; F774-L810 HydrophobicContact CD2-CD2 4.09Å; F774-L810 HydrophobicContact CE2-CD2 3.94Å; F774-L810 HydrophobicContact CZ-CD2 4.28Å; V777-L810 HydrophobicContact CB-CD2 3.98Å; V777-L810 HydrophobicContact CG1-CD1 3.71Å; V777-L810 HydrophobicContact CG1-CD2 3.76Å; V777-L810 HydrophobicContact CG1-CG 4.42Å; L785-L810 HydrophobicContact CD1-CD1 4.16Å; W788-L810 HydrophobicContact CG-CD1 4.27Å; G806-L810 WeakPolarHBondContact O-CD1 3.28Å; G806-L810 VanDerWaalsContact O-CG 3.26Å; G806-L810 WeakPolarHBondContact O-CG 3.42Å; G806-L810 PolarHBondContact O-N 3.23Å; V807-L810 PolarHBondContact O-N 3.21Å; L810-D812 PolarHBondContact O-N 2.97Å; L810-D813 PolarHBondContact O-N 3.15Å; L810-V816 HydrophobicContact CB-CG1 3.86Å; L810-V816 WeakPolarHBondContact O-CB 3.43Å |
| 811 | T | 96 | Very high | 93.9 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -6.5 | -179.4 | 49.8 | 0 | 0 | 0 | 0 | 114.2 | V807 A808 L809 D813 C817 I820 C853 N856 M857 | V807-T811 HydrophobicContact CG1-CG2 4.03Å; V807-T811 WeakPolarHBondContact O-CB 3.17Å; V807-T811 VanDerWaalsContact O-CG2 3.28Å; V807-T811 WeakPolarHBondContact O-CG2 3.41Å; V807-T811 PolarHBondContact O-N 3.34Å; V807-T811 PolarHBondContact O-OG1 3.06Å; A808-T811 PolarHBondContact O-OG1 3.39Å; L809-T811 VanDerWaalsContact C-N 3.33Å; L809-T811 PolarHBondContact O-N 3.28Å; T811-D813 PolarHBondContact O-N 3.23Å; T811-C817 PolarHBondContact O-SG 3.35Å; T811-I820 HydrophobicContact CG2-CD1 3.69Å; T811-C853 HydrophobicContact CG2-CB 4.44Å; T811-N856 PolarHBondContact OG1-ND2 3.28Å; T811-M857 HydrophobicContact CG2-CG 3.94Å; T811-M857 HydrophobicContact CG2-SD 4.44Å |
| 812 | D | 92.7 | Very high | 93.3 | Very high | 137 Ų | 137 | 29.5 Ų | 29.5 | 73% | 0.733 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -22.4 | 168.7 | -160.4 | 42.8 | 0 | 0 | 0 | 111.8 | L809 L810 | L809-D812 WeakPolarHBondContact O-CB 3.36Å; L809-D812 PolarHBondContact O-N 3.42Å; L810-D812 PolarHBondContact O-N 2.97Å |
| 813 | D | 93.9 | Very high | 92.2 | Very high | 54 Ų | 54 | 31.5 Ų | 31.5 | 29% | 0.289 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -91.6 | 120.6 | 171.7 | -177.9 | -0 | 0 | 0 | 0 | 111.4 | F774 L810 T811 N815 V816 C817 | F774-D813 HydrophobicContact CE1-CB 3.93Å; F774-D813 HydrophobicContact CZ-CB 3.93Å; L810-D813 PolarHBondContact O-N 3.15Å; T811-D813 PolarHBondContact O-N 3.23Å; D813-N815 PolarHBondContact O-N 2.91Å; D813-N815 WeakPolarHBondContact OD1-CB 3.35Å; D813-N815 PolarHBondContact OD1-N 3.1Å; D813-V816 HydrophobicContact CB-CB 4.38Å; D813-V816 HydrophobicContact CB-CG2 3.88Å; D813-V816 WeakPolarHBondContact O-CB 3.41Å; D813-V816 PolarHBondContact O-N 3.5Å; D813-C817 PolarHBondContact O-N 3.33Å |
| 814 | A | 91.8 | Very high | 90.3 | Very high | 48 Ų | 48 | 32.2 Ų | 32.2 | 40% | 0.397 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.9 | -32 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V816 C817 Q818 | A814-V816 VanDerWaalsContact C-N 3.34Å; A814-C817 WeakPolarHBondContact O-CB 3.39Å; A814-C817 PolarHBondContact O-N 2.96Å; A814-Q818 PolarHBondContact O-N 3.34Å; A814-Q818 VanDerWaalsContact O-N 3.09Å |
| 815 | N | 91.4 | Very high | 88.3 | Confident | 78 Ų | 78 | 37.5 Ų | 37.5 | 42% | 0.417 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.6 | -37.4 | 176.8 | 178.8 | 55.1 | 0 | 0 | 0 | 111.7 | D813 Q818 R819 | D813-N815 PolarHBondContact O-N 2.91Å; D813-N815 WeakPolarHBondContact OD1-CB 3.35Å; D813-N815 PolarHBondContact OD1-N 3.1Å; N815-Q818 PolarHBondContact O-N 2.93Å; N815-R819 WeakPolarHBondContact O-CG 3.36Å; N815-R819 PolarHBondContact O-N 2.88Å |
| 816 | V | 93.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.7 | -45.2 | 174.7 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | A778 L785 L810 D813 A814 Q818 R819 I820 | A778-V816 HydrophobicContact CB-CG2 3.5Å; L785-V816 HydrophobicContact CD1-CG1 3.64Å; L785-V816 HydrophobicContact CD2-CG1 3.91Å; L785-V816 HydrophobicContact CG-CG1 4.45Å; L810-V816 HydrophobicContact CB-CG1 3.86Å; L810-V816 WeakPolarHBondContact O-CB 3.43Å; D813-V816 HydrophobicContact CB-CB 4.38Å; D813-V816 HydrophobicContact CB-CG2 3.88Å; D813-V816 WeakPolarHBondContact O-CB 3.41Å; D813-V816 PolarHBondContact O-N 3.5Å; A814-V816 VanDerWaalsContact C-N 3.34Å; V816-Q818 VanDerWaalsContact C-N 3.28Å; V816-Q818 PolarHBondContact O-N 3.32Å; V816-R819 PolarHBondContact O-N 3.32Å; V816-R819 VanDerWaalsContact O-N 3.1Å; V816-I820 HydrophobicContact CG1-CD1 4.1Å; V816-I820 HydrophobicContact CG1-CG1 4.38Å; V816-I820 WeakPolarHBondContact O-CG1 3.45Å; V816-I820 PolarHBondContact O-N 3.39Å |
| 817 | C | 93.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.6 | -42.4 | 176.6 | -69.2 | 0 | 0 | 0 | 0 | 112.6 | T811 D813 A814 M857 S860 V864 | T811-C817 PolarHBondContact O-SG 3.35Å; D813-C817 PolarHBondContact O-N 3.33Å; A814-C817 WeakPolarHBondContact O-CB 3.39Å; A814-C817 PolarHBondContact O-N 2.96Å; C817-M857 HydrophobicContact CB-CB 4.47Å; C817-M857 HydrophobicContact CB-CG 4.06Å; C817-S860 WeakPolarHBondContact CB-OG 3.17Å; C817-V864 HydrophobicContact CB-CG1 4.46Å |
| 818 | Q | 90 | Very high | 81.8 | Confident | 88 Ų | 88 | 53 Ų | 53 | 41% | 0.411 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 175 | -177.3 | 168.4 | -4 | 0 | 0 | 111.9 | A814 N815 V816 I820 I821 E822 | A814-Q818 PolarHBondContact O-N 3.34Å; A814-Q818 VanDerWaalsContact O-N 3.09Å; N815-Q818 PolarHBondContact O-N 2.93Å; V816-Q818 VanDerWaalsContact C-N 3.28Å; V816-Q818 PolarHBondContact O-N 3.32Å; Q818-I820 PolarHBondContact O-N 3.29Å; Q818-I821 PolarHBondContact O-N 3.14Å; Q818-E822 HydrophobicContact CG-CG 4.34Å; Q818-E822 VanDerWaalsContact CG-OE1 3.26Å; Q818-E822 WeakPolarHBondContact CG-OE1 3.43Å; Q818-E822 PolarHBondContact NE2-OE1 3.1Å; Q818-E822 WeakPolarHBondContact O-CG 3.45Å; Q818-E822 PolarHBondContact O-N 3.33Å |
| 819 | R | 89.7 | Confident | 80.1 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 178.3 | -75.7 | -178.2 | 64.6 | -146.1 | -7.2 | 113.8 | V777 A778 T779 L785 N815 V816 I821 E822 E823 | V777-R819 PolarHBondContact O-NH1 3.03Å; V777-R819 VanDerWaalsContact O-NH1 3.09Å; A778-R819 PolarHBondContact O-NH1 2.77Å; T779-R819 PolarHBondContact O-NH1 2.9Å; L785-R819 HydrophobicContact CD2-CB 3.79Å; N815-R819 WeakPolarHBondContact O-CG 3.36Å; N815-R819 PolarHBondContact O-N 2.88Å; V816-R819 PolarHBondContact O-N 3.32Å; V816-R819 VanDerWaalsContact O-N 3.1Å; R819-I821 PolarHBondContact O-N 2.74Å; R819-E822 PolarHBondContact O-N 3.22Å; R819-E822 VanDerWaalsContact O-N 3.15Å; R819-E823 IonicContact CZ-OE1 2.67Å; R819-E823 IonicContact CZ-OE2 3.89Å; R819-E823 IonicContact NE-OE1 2.76Å; R819-E823 PolarHBondContact NE-OE1 2.71Å; R819-E823 VanDerWaalsContact NH2-CD 3.27Å; R819-E823 IonicContact NH2-OE1 3.32Å; R819-E823 PolarHBondContact NH2-OE1 3.09Å; R819-E823 IonicContact NH2-OE2 3.98Å; R819-E823 PolarHBondContact NH2-OE2 3.31Å; R819-E823 VanDerWaalsContact NH2-OE2 3.07Å; R819-E823 WeakPolarHBondContact O-CB 3.41Å; R819-E823 PolarHBondContact O-N 2.91Å |
| 820 | I | 89.4 | Confident | 79 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.7 | -39.8 | 176.7 | -71.6 | 169.6 | 0 | 0 | 0 | 110.3 | L785 V789 V807 T811 V816 Q818 A824 W831 F835 M857 | L785-I820 HydrophobicContact CD1-CG1 4.18Å; L785-I820 HydrophobicContact CD2-CG1 4.24Å; L785-I820 HydrophobicContact CG-CG1 4.39Å; V789-I820 HydrophobicContact CG2-CD1 4.44Å; V789-I820 HydrophobicContact CG2-CG1 4.16Å; V807-I820 HydrophobicContact CG1-CD1 4.32Å; T811-I820 HydrophobicContact CG2-CD1 3.69Å; V816-I820 HydrophobicContact CG1-CD1 4.1Å; V816-I820 HydrophobicContact CG1-CG1 4.38Å; V816-I820 WeakPolarHBondContact O-CG1 3.45Å; V816-I820 PolarHBondContact O-N 3.39Å; Q818-I820 PolarHBondContact O-N 3.29Å; I820-A824 WeakPolarHBondContact O-CB 3.44Å; I820-W831 HydrophobicContact CG2-CB 4.12Å; I820-W831 HydrophobicContact CG2-CG 4.39Å; I820-F835 HydrophobicContact CG2-CE2 4.09Å; I820-M857 HydrophobicContact CB-CE 4.19Å; I820-M857 HydrophobicContact CD1-SD 4.35Å; I820-M857 HydrophobicContact CG2-CE 3.77Å; I820-M857 HydrophobicContact CG2-SD 4.38Å |
| 821 | I | 85.7 | Confident | 78.5 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -77.2 | -38.2 | 179.1 | -67.7 | -166.5 | 0 | 0 | 0 | 112.4 | Q818 R819 W831 M857 V864 K867 | Q818-I821 PolarHBondContact O-N 3.14Å; R819-I821 PolarHBondContact O-N 2.74Å; I821-W831 HydrophobicContact CD1-CH2 4.11Å; I821-W831 HydrophobicContact CD1-CZ2 3.93Å; I821-W831 HydrophobicContact CG1-CD2 4.37Å; I821-W831 HydrophobicContact CG1-CH2 4.26Å; I821-W831 HydrophobicContact CG1-CZ2 3.86Å; I821-M857 HydrophobicContact CD1-CE 4.25Å; I821-M857 HydrophobicContact CG1-CE 3.92Å; I821-V864 HydrophobicContact CD1-CB 3.91Å; I821-V864 HydrophobicContact CD1-CG1 3.65Å; I821-V864 HydrophobicContact CD1-CG2 3.91Å; I821-K867 HydrophobicContact CD1-CB 4.03Å; I821-K867 HydrophobicContact CD1-CD 4.01Å; I821-K867 HydrophobicContact CG2-CD 3.29Å |
| 822 | E | 82.3 | Confident | 78.1 | Confident | 103 Ų | 103 | 56.5 Ų | 56.5 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -75.9 | -45.8 | -176.4 | -71.5 | 175.7 | 175.9 | 0 | 0 | 112.6 | Q818 R819 | Q818-E822 HydrophobicContact CG-CG 4.34Å; Q818-E822 VanDerWaalsContact CG-OE1 3.26Å; Q818-E822 WeakPolarHBondContact CG-OE1 3.43Å; Q818-E822 PolarHBondContact NE2-OE1 3.1Å; Q818-E822 WeakPolarHBondContact O-CG 3.45Å; Q818-E822 PolarHBondContact O-N 3.33Å; R819-E822 PolarHBondContact O-N 3.22Å; R819-E822 VanDerWaalsContact O-N 3.15Å |
| 823 | E | 73.3 | Confident | 78 | Confident | 51 Ų | 51 | 52.5 Ų | 52.5 | 24% | 0.238 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -79.4 | -21.8 | -172.4 | -67.7 | -172.5 | -169.8 | 0 | 0 | 113.5 | K786 R819 N825 | K786-E823 VanDerWaalsContact CE-OE2 3.26Å; K786-E823 WeakPolarHBondContact CE-OE2 3.37Å; K786-E823 HydrophobicContact CG-CB 4.46Å; R819-E823 IonicContact CZ-OE1 2.67Å; R819-E823 IonicContact CZ-OE2 3.89Å; R819-E823 IonicContact NE-OE1 2.76Å; R819-E823 PolarHBondContact NE-OE1 2.71Å; R819-E823 VanDerWaalsContact NH2-CD 3.27Å; R819-E823 IonicContact NH2-OE1 3.32Å; R819-E823 PolarHBondContact NH2-OE1 3.09Å; R819-E823 IonicContact NH2-OE2 3.98Å; R819-E823 PolarHBondContact NH2-OE2 3.31Å; R819-E823 VanDerWaalsContact NH2-OE2 3.07Å; R819-E823 WeakPolarHBondContact O-CB 3.41Å; R819-E823 PolarHBondContact O-N 2.91Å; E823-N825 VanDerWaalsContact C-N 3.3Å; E823-N825 PolarHBondContact O-N 3.14Å |
| 824 | A | 58.2 | Low | 77.8 | Confident | 15 Ų | 15 | 50 Ų | 50 | 12% | 0.124 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -5.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I820 V826 W831 | I820-A824 WeakPolarHBondContact O-CB 3.44Å; A824-V826 PolarHBondContact O-N 3.34Å; A824-W831 HydrophobicContact CB-CB 3.8Å; A824-W831 HydrophobicContact CB-CG 4.07Å |
| 825 | N | 55.1 | Low | 77.8 | Confident | 111 Ų | 111 | 47.8 Ų | 47.8 | 59% | 0.594 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -5.6 | -171.9 | -93.7 | -11.9 | 0 | 0 | 0 | 115.8 | E823 | E823-N825 VanDerWaalsContact C-N 3.3Å; E823-N825 PolarHBondContact O-N 3.14Å |
| 826 | V | 51.4 | Low | 77.9 | Confident | 103 Ų | 103 | 46.9 Ų | 46.9 | 62% | 0.624 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -34.3 | -164.6 | -172.9 | 0 | 0 | 0 | 0 | 114.9 | A824 | A824-V826 PolarHBondContact O-N 3.34Š|
| 827 | H | 49.7 | Very low | 77.8 | Confident | 185 Ų | 185 | 51 Ų | 51 | 86% | 0.856 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -157.4 | 19.4 | -178.7 | -76.6 | -56.7 | 0 | 0 | 0 | 116.1 | ||
| 828 | V | 51.8 | Low | 77.7 | Confident | 50 Ų | 50 | 51 Ų | 51 | 30% | 0.303 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -118.2 | 152.3 | -168.4 | -167.4 | 0 | 0 | 0 | 0 | 109 | L790 S830 I834 | L790-V828 HydrophobicContact CD1-CG1 4.4Å; L790-V828 HydrophobicContact CD2-CG1 3.32Å; L790-V828 HydrophobicContact CG-CG1 3.96Å; V828-S830 PolarHBondContact O-N 3.2Å; V828-S830 VanDerWaalsContact O-N 3.1Å; V828-I834 HydrophobicContact CG1-CD1 4.42Å |
| 829 | P | 59.1 | Low | 77.9 | Confident | 70 Ų | 70 | 46.9 Ų | 46.9 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -44.7 | 127.1 | 155.9 | 16.2 | -28 | 0 | 0 | 0 | 107.5 | L790 W831 I834 | L790-P829 HydrophobicContact CD2-CG 4.24Å; P829-W831 PolarHBondContact O-N 3.2Å; P829-I834 HydrophobicContact CB-CG1 4.35Å; P829-I834 HydrophobicContact CG-CD1 4.33Å; P829-I834 HydrophobicContact CG-CG1 4.34Å |
| 830 | S | 74.5 | Confident | 77.9 | Confident | 43 Ų | 43 | 51.3 Ų | 51.3 | 30% | 0.301 | 27% | 0.272 | S | S | . | . | trans | -49.4 | 138.2 | -175.4 | 178 | 0 | 0 | 0 | 0 | 108.4 | V828 V832 T833 I834 | V828-S830 PolarHBondContact O-N 3.2Å; V828-S830 VanDerWaalsContact O-N 3.1Å; S830-V832 CarbonylContact O-C 3.28Å; S830-V832 PolarHBondContact O-N 3.29Å; S830-V832 WeakPolarHBondContact OG-CB 3.42Å; S830-V832 WeakPolarHBondContact OG-CG2 3.24Å; S830-V832 PolarHBondContact OG-N 2.94Å; S830-T833 WeakPolarHBondContact O-CA 3.32Å; S830-T833 WeakPolarHBondContact O-CB 3.4Å; S830-T833 PolarHBondContact O-N 3.06Å; S830-I834 PolarHBondContact O-N 3.3Å | ||
| 831 | W | 85.5 | Confident | 78.1 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -48.1 | -31.2 | 173.1 | 62.7 | -83.8 | 0 | 0 | 0 | 110.8 | I820 I821 A824 P829 I834 F835 M857 K867 I868 L873 | I820-W831 HydrophobicContact CG2-CB 4.12Å; I820-W831 HydrophobicContact CG2-CG 4.39Å; I821-W831 HydrophobicContact CD1-CH2 4.11Å; I821-W831 HydrophobicContact CD1-CZ2 3.93Å; I821-W831 HydrophobicContact CG1-CD2 4.37Å; I821-W831 HydrophobicContact CG1-CH2 4.26Å; I821-W831 HydrophobicContact CG1-CZ2 3.86Å; A824-W831 HydrophobicContact CB-CB 3.8Å; A824-W831 HydrophobicContact CB-CG 4.07Å; P829-W831 PolarHBondContact O-N 3.2Å; W831-I834 PolarHBondContact O-N 3.1Å; W831-F835 AromaticContact CE3-CD2 3.98Å; W831-F835 HydrophobicContact CE3-CD2 3.98Å; W831-F835 HydrophobicContact CE3-CE2 4.44Å; W831-F835 WeakPolarHBondContact O-CD2 3.43Å; W831-F835 PolarHBondContact O-N 3.23Å; W831-M857 HydrophobicContact CE3-CE 4.09Å; W831-M857 HydrophobicContact CZ3-CE 3.98Å; W831-K867 HydrophobicContact CZ2-CB 4.42Å; W831-I868 HydrophobicContact CH2-CG1 3.63Å; W831-I868 HydrophobicContact CZ3-CG1 3.84Å; W831-L873 HydrophobicContact CE3-CD1 4.22Å; W831-L873 HydrophobicContact CH2-CD1 4.08Å; W831-L873 HydrophobicContact CZ3-CD1 3.49Å; W831-L873 VanDerWaalsContact CZ3-CD1 3.49Å |
| 832 | V | 88.7 | Confident | 78.3 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 12% | 0.121 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.6 | -49 | 170.7 | -178.4 | 0 | 0 | 0 | 0 | 112.5 | S830 K836 L873 | S830-V832 CarbonylContact O-C 3.28Å; S830-V832 PolarHBondContact O-N 3.29Å; S830-V832 WeakPolarHBondContact OG-CB 3.42Å; S830-V832 WeakPolarHBondContact OG-CG2 3.24Å; S830-V832 PolarHBondContact OG-N 2.94Å; V832-K836 WeakPolarHBondContact O-CB 3.46Å; V832-K836 PolarHBondContact O-N 3.27Å; V832-L873 HydrophobicContact CG1-CD1 4.35Å; V832-L873 HydrophobicContact CG1-CG 4.05Å |
| 833 | T | 89.2 | Confident | 78.7 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 178.9 | -55 | 0 | 0 | 0 | 0 | 111.2 | S830 K836 E837 | S830-T833 WeakPolarHBondContact O-CA 3.32Å; S830-T833 WeakPolarHBondContact O-CB 3.4Å; S830-T833 PolarHBondContact O-N 3.06Å; T833-K836 PolarHBondContact O-N 2.95Å; T833-E837 WeakPolarHBondContact CG2-OE1 3.42Å; T833-E837 PolarHBondContact O-N 3.04Å |
| 834 | I | 91 | Very high | 79.6 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.015 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.9 | -52.3 | 179.4 | -62.1 | 173.6 | 0 | 0 | 0 | 110.2 | V789 L790 C792 N793 V828 P829 S830 W831 K836 E837 A838 | V789-I834 HydrophobicContact CG1-CD1 3.9Å; V789-I834 HydrophobicContact CG1-CG2 4.28Å; V789-I834 WeakPolarHBondContact O-CG2 3.38Å; L790-I834 HydrophobicContact CD2-CD1 4.16Å; C792-I834 HydrophobicContact CB-CG2 3.89Å; N793-I834 HydrophobicContact CB-CB 4.39Å; N793-I834 HydrophobicContact CB-CG1 4.48Å; N793-I834 HydrophobicContact CB-CG2 3.86Å; V828-I834 HydrophobicContact CG1-CD1 4.42Å; P829-I834 HydrophobicContact CB-CG1 4.35Å; P829-I834 HydrophobicContact CG-CD1 4.33Å; P829-I834 HydrophobicContact CG-CG1 4.34Å; S830-I834 PolarHBondContact O-N 3.3Å; W831-I834 PolarHBondContact O-N 3.1Å; I834-K836 VanDerWaalsContact C-N 3.34Å; I834-K836 PolarHBondContact O-N 2.71Å; I834-E837 PolarHBondContact O-N 2.73Å; I834-A838 WeakPolarHBondContact O-CB 3.4Å; I834-A838 PolarHBondContact O-N 3.42Å |
| 835 | F | 91.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.8 | -31.9 | 179.1 | -79.8 | -69.4 | 0 | 0 | 0 | 112.7 | V789 V807 I820 W831 A838 C839 C853 L854 M857 L873 | V789-F835 HydrophobicContact CG1-CE2 4.49Å; V807-F835 HydrophobicContact CG1-CE1 4.32Å; V807-F835 HydrophobicContact CG1-CZ 3.84Å; I820-F835 HydrophobicContact CG2-CE2 4.09Å; W831-F835 AromaticContact CE3-CD2 3.98Å; W831-F835 HydrophobicContact CE3-CD2 3.98Å; W831-F835 HydrophobicContact CE3-CE2 4.44Å; W831-F835 WeakPolarHBondContact O-CD2 3.43Å; W831-F835 PolarHBondContact O-N 3.23Å; F835-A838 PolarHBondContact O-N 2.71Å; F835-C839 WeakPolarHBondContact O-CB 3.42Å; F835-C839 PolarHBondContact O-N 3.15Å; F835-C839 PolarHBondContact O-SG 3.48Å; F835-C853 HydrophobicContact CD1-CB 4.38Å; F835-C853 HydrophobicContact CE1-CB 3.52Å; F835-C853 HydrophobicContact CZ-CB 4.1Å; F835-L854 HydrophobicContact CB-CD2 4.17Å; F835-L854 HydrophobicContact CD1-CD2 4.32Å; F835-L854 HydrophobicContact CG-CD2 4.13Å; F835-M857 HydrophobicContact CE2-SD 4.17Å; F835-M857 HydrophobicContact CZ-SD 4.25Å; F835-L873 HydrophobicContact CB-CD1 4.36Å; F835-L873 HydrophobicContact CB-CD2 3.85Å |
| 836 | K | 92.1 | Very high | 83.2 | Confident | 60 Ų | 60 | 52.3 Ų | 52.3 | 26% | 0.261 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.7 | -51.3 | 175.4 | 167.6 | 174.4 | 178.1 | -171 | 0 | 109.9 | V832 T833 I834 C839 M840 E872 L873 V876 | V832-K836 WeakPolarHBondContact O-CB 3.46Å; V832-K836 PolarHBondContact O-N 3.27Å; T833-K836 PolarHBondContact O-N 2.95Å; I834-K836 VanDerWaalsContact C-N 3.34Å; I834-K836 PolarHBondContact O-N 2.71Å; K836-C839 PolarHBondContact O-N 3.47Å; K836-M840 HydrophobicContact CD-CE 4.34Å; K836-M840 HydrophobicContact CG-CE 3.54Å; K836-M840 HydrophobicContact CG-SD 4.36Å; K836-M840 VanDerWaalsContact O-CG 3.3Å; K836-M840 WeakPolarHBondContact O-CG 3.31Å; K836-M840 PolarHBondContact O-N 3.25Å; K836-M840 VanDerWaalsContact O-N 3.09Å; K836-E872 HydrophobicContact CD-CB 4.32Å; K836-E872 VanDerWaalsContact CD-OE2 3.3Å; K836-E872 WeakPolarHBondContact CD-OE2 3.41Å; K836-E872 WeakPolarHBondContact CE-OE2 3.16Å; K836-E872 IonicContact NZ-OE2 3.7Å; K836-E872 PolarHBondContact NZ-OE2 3.26Å; K836-L873 HydrophobicContact CB-CD2 3.99Å; K836-V876 HydrophobicContact CG-CG2 4.1Å |
| 837 | E | 91.5 | Very high | 85.2 | Confident | 86 Ų | 86 | 47.7 Ų | 47.7 | 40% | 0.402 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 178.7 | -70.1 | 176.6 | -155.9 | 0 | 0 | 111.3 | N793 T833 I834 C839 M840 H841 | N793-E837 PolarHBondContact ND2-OE2 2.95Å; N793-E837 WeakPolarHBondContact OD1-CB 3.42Å; N793-E837 PolarHBondContact OD1-OE2 2.96Å; T833-E837 WeakPolarHBondContact CG2-OE1 3.42Å; T833-E837 PolarHBondContact O-N 3.04Å; I834-E837 PolarHBondContact O-N 2.73Å; E837-C839 PolarHBondContact O-N 3.46Å; E837-M840 CarbonylContact O-C 3.34Å; E837-M840 PolarHBondContact O-N 2.84Å; E837-M840 VanDerWaalsContact O-N 3.1Å; E837-H841 PolarHBondContact O-N 3.37Å; E837-H841 VanDerWaalsContact O-N 3.08Å |
| 838 | A | 92.2 | Very high | 87.4 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -36.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I834 F835 M840 H841 S850 | I834-A838 WeakPolarHBondContact O-CB 3.4Å; I834-A838 PolarHBondContact O-N 3.42Å; F835-A838 PolarHBondContact O-N 2.71Å; A838-M840 VanDerWaalsContact C-N 3.31Å; A838-M840 PolarHBondContact O-N 2.97Å; A838-H841 WeakPolarHBondContact O-CB 3.31Å; A838-H841 PolarHBondContact O-N 3.25Å; A838-S850 VanDerWaalsContact CB-OG 3.31Å; A838-S850 WeakPolarHBondContact CB-OG 3.3Å |
| 839 | C | 92.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.8 | -23.3 | 173.7 | -76.9 | 0 | 0 | 0 | 0 | 113.1 | F835 K836 E837 Q847 S850 L851 L854 V876 I880 | F835-C839 WeakPolarHBondContact O-CB 3.42Å; F835-C839 PolarHBondContact O-N 3.15Å; F835-C839 PolarHBondContact O-SG 3.48Å; K836-C839 PolarHBondContact O-N 3.47Å; E837-C839 PolarHBondContact O-N 3.46Å; C839-Q847 VanDerWaalsContact O-CG 3.26Å; C839-Q847 WeakPolarHBondContact O-CG 3.21Å; C839-Q847 PolarHBondContact O-NE2 3.02Å; C839-S850 VanDerWaalsContact SG-CB 3.59Å; C839-L851 HydrophobicContact CB-CD2 4.49Å; C839-L854 VanDerWaalsContact SG-CD1 3.58Å; C839-V876 HydrophobicContact CB-CG1 3.82Å; C839-I880 HydrophobicContact CB-CD1 4.3Å; C839-I880 WeakPolarHBondContact O-CD1 3.34Å |
| 840 | M | 90.8 | Very high | 91.2 | Very high | 104 Ų | 104 | 39.5 Ų | 39.5 | 51% | 0.512 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 6.3 | 174.7 | -64.6 | -174.9 | -50.9 | 0 | 0 | 112.8 | K836 E837 A838 V876 | K836-M840 HydrophobicContact CD-CE 4.34Å; K836-M840 HydrophobicContact CG-CE 3.54Å; K836-M840 HydrophobicContact CG-SD 4.36Å; K836-M840 VanDerWaalsContact O-CG 3.3Å; K836-M840 WeakPolarHBondContact O-CG 3.31Å; K836-M840 PolarHBondContact O-N 3.25Å; K836-M840 VanDerWaalsContact O-N 3.09Å; E837-M840 CarbonylContact O-C 3.34Å; E837-M840 PolarHBondContact O-N 2.84Å; E837-M840 VanDerWaalsContact O-N 3.1Å; A838-M840 VanDerWaalsContact C-N 3.31Å; A838-M840 PolarHBondContact O-N 2.97Å; M840-V876 HydrophobicContact CG-CG1 4.14Å; M840-V876 HydrophobicContact SD-CG2 4.26Å |
| 841 | H | 92.2 | Very high | 92.2 | Very high | 53 Ų | 53 | 37.4 Ų | 37.4 | 25% | 0.245 | 19% | 0.189 | C | C | . | . | trans | -64.3 | 144.8 | -174.1 | -163.1 | -90.4 | 0 | 0 | 0 | 113 | E837 A838 N843 V846 R888 | E837-H841 PolarHBondContact O-N 3.37Å; E837-H841 VanDerWaalsContact O-N 3.08Å; A838-H841 WeakPolarHBondContact O-CB 3.31Å; A838-H841 PolarHBondContact O-N 3.25Å; H841-N843 VanDerWaalsContact C-N 3.34Å; H841-N843 VanDerWaalsContact ND1-CB 3.3Å; H841-N843 WeakPolarHBondContact ND1-CB 3.34Å; H841-N843 PolarHBondContact ND1-N 3.47Å; H841-N843 PolarHBondContact O-N 2.97Å; H841-V846 HydrophobicContact CB-CB 4.12Å; H841-V846 HydrophobicContact CB-CG1 3.72Å; H841-R888 PolarHBondContact O-NH1 3.17Å | ||
| 842 | A | 90 | Very high | 92.8 | Very high | 83 Ų | 83 | 39.3 Ų | 39.3 | 69% | 0.686 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -65.1 | -37.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | K844 R888 | A842-K844 PolarHBondContact O-N 3.44Å; A842-R888 PolarHBondContact O-NH2 3.38Å |
| 843 | N | 92.4 | Very high | 93.1 | Very high | 41 Ų | 41 | 38.4 Ų | 38.4 | 22% | 0.219 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -69 | 122.8 | 173 | -169.9 | -42.6 | 0 | 0 | 0 | 111.7 | E797 H841 E845 V846 Q847 | E797-N843 VanDerWaalsContact OE1-CB 3.26Å; E797-N843 WeakPolarHBondContact OE1-CB 3.45Å; E797-N843 PolarHBondContact OE1-ND2 3.49Å; H841-N843 VanDerWaalsContact C-N 3.34Å; H841-N843 VanDerWaalsContact ND1-CB 3.3Å; H841-N843 WeakPolarHBondContact ND1-CB 3.34Å; H841-N843 PolarHBondContact ND1-N 3.47Å; H841-N843 PolarHBondContact O-N 2.97Å; N843-E845 VanDerWaalsContact C-N 3.32Å; N843-E845 PolarHBondContact O-N 3.33Å; N843-E845 PolarHBondContact OD1-N 2.96Å; N843-V846 HydrophobicContact CB-CB 4.16Å; N843-V846 HydrophobicContact CB-CG2 3.81Å; N843-V846 PolarHBondContact O-N 2.86Å; N843-Q847 PolarHBondContact O-N 3.01Å; N843-Q847 VanDerWaalsContact O-N 3.11Å |
| 844 | K | 91.7 | Very high | 93.4 | Very high | 80 Ų | 80 | 35.9 Ų | 35.9 | 35% | 0.348 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.9 | -38.4 | -178.5 | -60.9 | 175.6 | -176.8 | 161.1 | 0 | 112.7 | A842 Q847 R848 E887 R888 | A842-K844 PolarHBondContact O-N 3.44Å; K844-Q847 PolarHBondContact O-N 3.46Å; K844-R848 VanDerWaalsContact O-CB 3.26Å; K844-R848 WeakPolarHBondContact O-CB 3.1Å; K844-R848 PolarHBondContact O-N 3.41Å; K844-E887 WeakPolarHBondContact CE-OE2 3.4Å; K844-E887 VanDerWaalsContact NZ-CB 3.29Å; K844-E887 IonicContact NZ-OE2 3.88Å; K844-E887 PolarHBondContact NZ-OE2 2.81Å; K844-R888 HydrophobicContact CD-CG 4.26Å; K844-R888 HydrophobicContact CG-CG 4Å |
| 845 | E | 93.3 | Very high | 93.6 | Very high | 54 Ų | 54 | 36.3 Ų | 36.3 | 25% | 0.252 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -73.4 | -35.3 | -177.6 | -173.1 | 61.7 | -174.8 | 0 | 0 | 111.7 | L801 N843 R848 R849 | L801-E845 HydrophobicContact CD2-CB 3.99Å; L801-E845 HydrophobicContact CD2-CG 4.07Å; N843-E845 VanDerWaalsContact C-N 3.32Å; N843-E845 PolarHBondContact O-N 3.33Å; N843-E845 PolarHBondContact OD1-N 2.96Å; E845-R848 PolarHBondContact O-N 3.5Å; E845-R848 IonicContact OE1-CZ 3.49Å; E845-R848 IonicContact OE1-NE 3.33Å; E845-R848 IonicContact OE1-NH2 2.7Å; E845-R848 PolarHBondContact OE1-NH2 2.84Å; E845-R848 IonicContact OE2-CZ 2.67Å; E845-R848 IonicContact OE2-NE 3.94Å; E845-R848 PolarHBondContact OE2-NE 3.26Å; E845-R848 IonicContact OE2-NH2 2.72Å; E845-R848 PolarHBondContact OE2-NH2 3.29Å; E845-R849 VanDerWaalsContact CG-CZ 3.43Å; E845-R849 WeakPolarHBondContact O-CB 3.33Å; E845-R849 WeakPolarHBondContact O-CG 3.2Å; E845-R849 PolarHBondContact O-N 3.33Å; E845-R849 IonicContact OE1-CZ 3.69Å; E845-R849 IonicContact OE1-NE 3.12Å; E845-R849 PolarHBondContact OE1-NE 3.23Å; E845-R849 IonicContact OE1-NH2 2.92Å; E845-R849 PolarHBondContact OE1-NH2 3.41Å |
| 846 | V | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.7 | -50.5 | 171.8 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | V800 L801 V804 H841 N843 R848 R849 S850 | V800-V846 HydrophobicContact CG1-CG1 3.71Å; V800-V846 HydrophobicContact CG1-CG2 4Å; L801-V846 HydrophobicContact CD2-CG2 3.47Å; L801-V846 VanDerWaalsContact CD2-CG2 3.47Å; L801-V846 HydrophobicContact CG-CG2 3.79Å; V804-V846 HydrophobicContact CG1-CG1 4.15Å; H841-V846 HydrophobicContact CB-CB 4.12Å; H841-V846 HydrophobicContact CB-CG1 3.72Å; N843-V846 HydrophobicContact CB-CB 4.16Å; N843-V846 HydrophobicContact CB-CG2 3.81Å; N843-V846 PolarHBondContact O-N 2.86Å; V846-R848 PolarHBondContact O-N 2.71Å; V846-R849 PolarHBondContact O-N 3.08Å; V846-S850 WeakPolarHBondContact O-CB 3.26Å; V846-S850 PolarHBondContact O-N 3.23Å; V846-S850 PolarHBondContact O-OG 3.48Å |
| 847 | Q | 94.7 | Very high | 94 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.1 | -48.3 | 177.1 | 173.1 | 178.3 | 73.2 | 0 | 0 | 111.6 | C839 N843 K844 R849 S850 L851 C891 | C839-Q847 VanDerWaalsContact O-CG 3.26Å; C839-Q847 WeakPolarHBondContact O-CG 3.21Å; C839-Q847 PolarHBondContact O-NE2 3.02Å; N843-Q847 PolarHBondContact O-N 3.01Å; N843-Q847 VanDerWaalsContact O-N 3.11Å; K844-Q847 PolarHBondContact O-N 3.46Å; Q847-R849 PolarHBondContact O-N 3.46Å; Q847-S850 PolarHBondContact O-N 2.92Å; Q847-L851 HydrophobicContact CG-CD1 3.75Å; Q847-L851 HydrophobicContact CG-CG 4.32Å; Q847-L851 VanDerWaalsContact O-CG 3.3Å; Q847-L851 WeakPolarHBondContact O-CG 3.4Å; Q847-L851 PolarHBondContact O-N 2.84Å; Q847-C891 HydrophobicContact CG-CB 4.29Å; Q847-C891 PolarHBondContact OE1-SG 3.32Å |
| 848 | R | 95 | Very high | 94.2 | Very high | 71 Ų | 71 | 30.8 Ų | 30.8 | 27% | 0.268 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.4 | -48.1 | -177.9 | -169.1 | -170.5 | 69.8 | 77.4 | -0.4 | 111.6 | K844 E845 V846 L851 L852 E890 L894 | K844-R848 VanDerWaalsContact O-CB 3.26Å; K844-R848 WeakPolarHBondContact O-CB 3.1Å; K844-R848 PolarHBondContact O-N 3.41Å; E845-R848 PolarHBondContact O-N 3.5Å; E845-R848 IonicContact OE1-CZ 3.49Å; E845-R848 IonicContact OE1-NE 3.33Å; E845-R848 IonicContact OE1-NH2 2.7Å; E845-R848 PolarHBondContact OE1-NH2 2.84Å; E845-R848 IonicContact OE2-CZ 2.67Å; E845-R848 IonicContact OE2-NE 3.94Å; E845-R848 PolarHBondContact OE2-NE 3.26Å; E845-R848 IonicContact OE2-NH2 2.72Å; E845-R848 PolarHBondContact OE2-NH2 3.29Å; V846-R848 PolarHBondContact O-N 2.71Å; R848-L851 PolarHBondContact O-N 3.31Å; R848-L852 PolarHBondContact O-N 3.36Å; R848-E890 HydrophobicContact CG-CB 4.35Å; R848-L894 HydrophobicContact CG-CD1 3.76Å; R848-L894 VanDerWaalsContact O-CD1 3.27Å; R848-L894 WeakPolarHBondContact O-CD1 3.33Å |
| 849 | R | 95.2 | Very high | 94.3 | Very high | 61 Ų | 61 | 34.7 Ų | 34.7 | 23% | 0.23 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.7 | -36.5 | 179 | -69.8 | 174.3 | -177.7 | 162.5 | 6.3 | 112.1 | L801 V804 E845 V846 Q847 L852 C853 | L801-R849 PolarHBondContact O-NH1 2.96Å; V804-R849 HydrophobicContact CB-CB 4.11Å; V804-R849 HydrophobicContact CG2-CB 3.81Å; V804-R849 HydrophobicContact CG2-CG 4.48Å; E845-R849 VanDerWaalsContact CG-CZ 3.43Å; E845-R849 WeakPolarHBondContact O-CB 3.33Å; E845-R849 WeakPolarHBondContact O-CG 3.2Å; E845-R849 PolarHBondContact O-N 3.33Å; E845-R849 IonicContact OE1-CZ 3.69Å; E845-R849 IonicContact OE1-NE 3.12Å; E845-R849 PolarHBondContact OE1-NE 3.23Å; E845-R849 IonicContact OE1-NH2 2.92Å; E845-R849 PolarHBondContact OE1-NH2 3.41Å; V846-R849 PolarHBondContact O-N 3.08Å; Q847-R849 PolarHBondContact O-N 3.46Å; R849-L852 WeakPolarHBondContact O-CB 3.17Å; R849-L852 PolarHBondContact O-N 3.33Å; R849-C853 PolarHBondContact O-N 2.6Å; R849-C853 PolarHBondContact O-SG 3.33Å |
| 850 | S | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 175.6 | -55.2 | 0 | 0 | 0 | 0 | 112 | A838 C839 V846 Q847 L852 C853 L854 | A838-S850 VanDerWaalsContact CB-OG 3.31Å; A838-S850 WeakPolarHBondContact CB-OG 3.3Å; C839-S850 VanDerWaalsContact SG-CB 3.59Å; V846-S850 WeakPolarHBondContact O-CB 3.26Å; V846-S850 PolarHBondContact O-N 3.23Å; V846-S850 PolarHBondContact O-OG 3.48Å; Q847-S850 PolarHBondContact O-N 2.92Å; S850-L852 VanDerWaalsContact C-N 3.32Å; S850-L852 PolarHBondContact O-N 2.9Å; S850-C853 VanDerWaalsContact O-CB 3.31Å; S850-C853 WeakPolarHBondContact O-CB 3.38Å; S850-C853 PolarHBondContact O-N 3.49Å; S850-L854 PolarHBondContact O-N 2.91Å; S850-L854 VanDerWaalsContact O-N 3.08Å |
| 851 | L | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.7 | -36.4 | 173.6 | -69.8 | 167.9 | 0 | 0 | 0 | 112.3 | C839 Q847 R848 L854 L855 L877 I880 C891 L894 A895 | C839-L851 HydrophobicContact CB-CD2 4.49Å; Q847-L851 HydrophobicContact CG-CD1 3.75Å; Q847-L851 HydrophobicContact CG-CG 4.32Å; Q847-L851 VanDerWaalsContact O-CG 3.3Å; Q847-L851 WeakPolarHBondContact O-CG 3.4Å; Q847-L851 PolarHBondContact O-N 2.84Å; R848-L851 PolarHBondContact O-N 3.31Å; L851-L854 PolarHBondContact O-N 3.14Å; L851-L855 WeakPolarHBondContact O-CB 3.5Å; L851-L855 PolarHBondContact O-N 3.43Å; L851-L877 HydrophobicContact CD2-CD2 3.67Å; L851-I880 HydrophobicContact CD1-CD1 4.35Å; L851-I880 HydrophobicContact CD1-CG2 4.11Å; L851-I880 HydrophobicContact CD2-CD1 3.93Å; L851-C891 HydrophobicContact CD1-CB 3.62Å; L851-C891 WeakPolarHBondContact CD1-O 3.38Å; L851-L894 HydrophobicContact CB-CB 3.92Å; L851-L894 HydrophobicContact CB-CD1 4.21Å; L851-A895 HydrophobicContact CD2-CB 4.34Å |
| 852 | L | 96.2 | Very high | 94.3 | Very high | 49 Ų | 49 | 36.5 Ų | 36.5 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.2 | -41 | 172.4 | -179 | 61.2 | 0 | 0 | 0 | 111.5 | A808 R848 R849 S850 L854 L855 N856 L894 | A808-L852 HydrophobicContact CB-CD2 4.34Å; R848-L852 PolarHBondContact O-N 3.36Å; R849-L852 WeakPolarHBondContact O-CB 3.17Å; R849-L852 PolarHBondContact O-N 3.33Å; S850-L852 VanDerWaalsContact C-N 3.32Å; S850-L852 PolarHBondContact O-N 2.9Å; L852-L854 VanDerWaalsContact C-N 3.34Å; L852-L854 PolarHBondContact O-N 3.08Å; L852-L855 PolarHBondContact O-N 3.32Å; L852-N856 WeakPolarHBondContact O-CB 3.49Å; L852-N856 VanDerWaalsContact O-CG 3.28Å; L852-N856 PolarHBondContact O-N 3.26Å; L852-L894 HydrophobicContact CB-CD1 4.23Å; L852-L894 HydrophobicContact CD1-CD2 4.14Å |
| 853 | C | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.5 | -47.9 | 173.4 | -60.7 | 0 | 0 | 0 | 0 | 111 | V807 A808 T811 F835 R849 S850 L855 N856 M857 | V807-C853 HydrophobicContact CG1-CB 4.5Å; A808-C853 WeakPolarHBondContact CA-SG 3.08Å; A808-C853 PolarHBondContact N-SG 3.4Å; T811-C853 HydrophobicContact CG2-CB 4.44Å; F835-C853 HydrophobicContact CD1-CB 4.38Å; F835-C853 HydrophobicContact CE1-CB 3.52Å; F835-C853 HydrophobicContact CZ-CB 4.1Å; R849-C853 PolarHBondContact O-N 2.6Å; R849-C853 PolarHBondContact O-SG 3.33Å; S850-C853 VanDerWaalsContact O-CB 3.31Å; S850-C853 WeakPolarHBondContact O-CB 3.38Å; S850-C853 PolarHBondContact O-N 3.49Å; C853-L855 PolarHBondContact O-N 3.46Å; C853-N856 PolarHBondContact O-N 3.46Å; C853-M857 WeakPolarHBondContact O-CB 3.26Å; C853-M857 VanDerWaalsContact O-CG 3.24Å; C853-M857 WeakPolarHBondContact O-CG 3.45Å; C853-M857 PolarHBondContact O-N 2.92Å |
| 854 | L | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 178.1 | -66.1 | -175.2 | 0 | 0 | 0 | 112 | F835 C839 S850 L851 L852 M857 M858 I868 L873 L877 | F835-L854 HydrophobicContact CB-CD2 4.17Å; F835-L854 HydrophobicContact CD1-CD2 4.32Å; F835-L854 HydrophobicContact CG-CD2 4.13Å; C839-L854 VanDerWaalsContact SG-CD1 3.58Å; S850-L854 PolarHBondContact O-N 2.91Å; S850-L854 VanDerWaalsContact O-N 3.08Å; L851-L854 PolarHBondContact O-N 3.14Å; L852-L854 VanDerWaalsContact C-N 3.34Å; L852-L854 PolarHBondContact O-N 3.08Å; L854-M857 PolarHBondContact O-N 3.46Å; L854-M858 WeakPolarHBondContact O-CB 3.43Å; L854-M858 VanDerWaalsContact O-CG 3.26Å; L854-M858 WeakPolarHBondContact O-CG 3.46Å; L854-M858 PolarHBondContact O-N 3.08Å; L854-I868 HydrophobicContact CD2-CD1 4.37Å; L854-L873 HydrophobicContact CD1-CD2 4.22Å; L854-L873 HydrophobicContact CD2-CD1 3.85Å; L854-L877 HydrophobicContact CD1-CD2 4.15Å; L854-L877 HydrophobicContact CD1-CG 4.43Å |
| 855 | L | 96.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.8 | -47 | 176.4 | 177.9 | 59.8 | 0 | 0 | 0 | 111.5 | L851 L852 C853 M857 M858 N859 L894 E897 A898 V901 | L851-L855 WeakPolarHBondContact O-CB 3.5Å; L851-L855 PolarHBondContact O-N 3.43Å; L852-L855 PolarHBondContact O-N 3.32Å; C853-L855 PolarHBondContact O-N 3.46Å; L855-M857 PolarHBondContact O-N 3.33Å; L855-M858 PolarHBondContact O-N 3.19Å; L855-N859 WeakPolarHBondContact CD1-ND2 3.27Å; L855-N859 WeakPolarHBondContact O-CB 3.47Å; L855-N859 PolarHBondContact O-N 3.47Å; L855-N859 PolarHBondContact O-ND2 3.11Å; L855-N859 VanDerWaalsContact O-ND2 3.14Å; L855-L894 HydrophobicContact CD2-CD2 3.73Å; L855-E897 HydrophobicContact CD1-CB 4.06Å; L855-E897 HydrophobicContact CD2-CB 4.1Å; L855-A898 HydrophobicContact CD1-CB 4.23Å; L855-V901 HydrophobicContact CD1-CG2 4.02Å |
| 856 | N | 97 | Very high | 94.1 | Very high | 30 Ų | 30 | 30.4 Ų | 30.4 | 16% | 0.16 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 176.7 | -72.4 | -5.2 | 0 | 0 | 0 | 111.2 | A808 T811 L852 C853 M858 N859 S860 | A808-N856 PolarHBondContact O-ND2 3.47Å; T811-N856 PolarHBondContact OG1-ND2 3.28Å; L852-N856 WeakPolarHBondContact O-CB 3.49Å; L852-N856 VanDerWaalsContact O-CG 3.28Å; L852-N856 PolarHBondContact O-N 3.26Å; C853-N856 PolarHBondContact O-N 3.46Å; N856-M858 PolarHBondContact O-N 3.02Å; N856-N859 PolarHBondContact O-N 3.45Å; N856-S860 PolarHBondContact O-N 2.73Å |
| 857 | M | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 175.8 | -71.7 | 177.2 | 72.8 | 0 | 0 | 112.1 | T811 C817 I820 I821 W831 F835 C853 L854 L855 N859 S860 V864 I868 | T811-M857 HydrophobicContact CG2-CG 3.94Å; T811-M857 HydrophobicContact CG2-SD 4.44Å; C817-M857 HydrophobicContact CB-CB 4.47Å; C817-M857 HydrophobicContact CB-CG 4.06Å; I820-M857 HydrophobicContact CB-CE 4.19Å; I820-M857 HydrophobicContact CD1-SD 4.35Å; I820-M857 HydrophobicContact CG2-CE 3.77Å; I820-M857 HydrophobicContact CG2-SD 4.38Å; I821-M857 HydrophobicContact CD1-CE 4.25Å; I821-M857 HydrophobicContact CG1-CE 3.92Å; W831-M857 HydrophobicContact CE3-CE 4.09Å; W831-M857 HydrophobicContact CZ3-CE 3.98Å; F835-M857 HydrophobicContact CE2-SD 4.17Å; F835-M857 HydrophobicContact CZ-SD 4.25Å; C853-M857 WeakPolarHBondContact O-CB 3.26Å; C853-M857 VanDerWaalsContact O-CG 3.24Å; C853-M857 WeakPolarHBondContact O-CG 3.45Å; C853-M857 PolarHBondContact O-N 2.92Å; L854-M857 PolarHBondContact O-N 3.46Å; L855-M857 PolarHBondContact O-N 3.33Å; M857-N859 VanDerWaalsContact C-N 3.3Å; M857-N859 PolarHBondContact O-N 2.69Å; M857-S860 WeakPolarHBondContact O-CB 3.42Å; M857-S860 PolarHBondContact O-N 3.3Å; M857-S860 PolarHBondContact O-OG 3.1Å; M857-V864 HydrophobicContact CB-CG1 3.74Å; M857-V864 HydrophobicContact CE-CG1 4.2Å; M857-V864 WeakPolarHBondContact O-CG1 3.46Å; M857-I868 HydrophobicContact CB-CD1 3.68Å; M857-I868 HydrophobicContact CE-CD1 4.41Å |
| 858 | M | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.5 | -33.9 | 177.4 | -70.4 | -179.8 | 72.7 | 0 | 0 | 112.4 | L854 L855 N856 A865 I868 V869 L877 A898 V901 A902 K905 | L854-M858 WeakPolarHBondContact O-CB 3.43Å; L854-M858 VanDerWaalsContact O-CG 3.26Å; L854-M858 WeakPolarHBondContact O-CG 3.46Å; L854-M858 PolarHBondContact O-N 3.08Å; L855-M858 PolarHBondContact O-N 3.19Å; N856-M858 PolarHBondContact O-N 3.02Å; M858-A865 HydrophobicContact CB-CB 4.22Å; M858-A865 HydrophobicContact CG-CB 4.37Å; M858-I868 HydrophobicContact CG-CB 4.28Å; M858-I868 HydrophobicContact CG-CD1 3.56Å; M858-I868 HydrophobicContact CG-CG2 4.19Å; M858-I868 HydrophobicContact SD-CG2 3.99Å; M858-V869 HydrophobicContact CE-CG2 4.11Å; M858-L877 HydrophobicContact SD-CD1 3.95Å; M858-A898 WeakPolarHBondContact CE-O 3.48Å; M858-A898 HydrophobicContact SD-CB 3.8Å; M858-V901 HydrophobicContact CB-CG1 4Å; M858-A902 HydrophobicContact CE-CB 3.62Å; M858-K905 WeakPolarHBondContact O-CE 3.46Å; M858-K905 PolarHBondContact O-NZ 3.26Å |
| 859 | N | 95.4 | Very high | 93.4 | Very high | 84 Ų | 84 | 32.1 Ų | 32.1 | 45% | 0.449 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -69 | -35.6 | 175 | -79.6 | -41.3 | 0 | 0 | 0 | 112.3 | L855 N856 M857 C861 V901 K905 | L855-N859 WeakPolarHBondContact CD1-ND2 3.27Å; L855-N859 WeakPolarHBondContact O-CB 3.47Å; L855-N859 PolarHBondContact O-N 3.47Å; L855-N859 PolarHBondContact O-ND2 3.11Å; L855-N859 VanDerWaalsContact O-ND2 3.14Å; N856-N859 PolarHBondContact O-N 3.45Å; M857-N859 VanDerWaalsContact C-N 3.3Å; M857-N859 PolarHBondContact O-N 2.69Å; N859-C861 PolarHBondContact O-N 3.35Å; N859-V901 WeakPolarHBondContact OD1-CG2 3.33Å; N859-K905 PolarHBondContact O-NZ 2.81Å |
| 860 | S | 94.2 | Very high | 93 | Very high | 32 Ų | 32 | 36.9 Ų | 36.9 | 22% | 0.224 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -50.9 | -57.6 | -172.6 | 72.1 | 0 | 0 | 0 | 0 | 114.8 | C817 N856 M857 | C817-S860 WeakPolarHBondContact CB-OG 3.17Å; N856-S860 PolarHBondContact O-N 2.73Å; M857-S860 WeakPolarHBondContact O-CB 3.42Å; M857-S860 PolarHBondContact O-N 3.3Å; M857-S860 PolarHBondContact O-OG 3.1Å |
| 861 | C | 90.6 | Very high | 92.7 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 26% | 0.264 | 19% | 0.194 | S | C | . | . | trans | -156.9 | 170.2 | 178.3 | 70.8 | 0 | 0 | 0 | 0 | 111.6 | N859 V864 A865 | N859-C861 PolarHBondContact O-N 3.35Å; C861-V864 WeakPolarHBondContact SG-CG2 3.41Å; C861-A865 PolarHBondContact O-N 3.44Å | ||
| 862 | Y | 91.7 | Very high | 92.4 | Very high | 124 Ų | 124 | 42.6 Ų | 42.6 | 49% | 0.486 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -43.7 | -178.8 | -180 | -90.1 | 0 | 0 | 0 | 112.1 | V864 A865 A866 K905 L907 | Y862-V864 PolarHBondContact O-N 3.34Å; Y862-A865 PolarHBondContact O-N 3.43Å; Y862-A866 HydrophobicContact CE1-CB 4.34Å; Y862-A866 WeakPolarHBondContact O-CB 3.47Å; Y862-A866 PolarHBondContact O-N 3.43Å; Y862-K905 HydrophobicContact CD2-CB 4.34Å; Y862-K905 WeakPolarHBondContact CE2-O 3.3Å; Y862-L907 HydrophobicContact CD2-CD2 4.34Å; Y862-L907 HydrophobicContact CE1-CD2 4.22Å; Y862-L907 HydrophobicContact CE2-CD2 3.55Å; Y862-L907 HydrophobicContact CE2-CG 4.07Å; Y862-L907 VanDerWaalsContact CZ-CD2 3.48Å; Y862-L907 WeakPolarHBondContact OH-CD2 3.26Å |
| 863 | D | 88.9 | Confident | 92.2 | Very high | 115 Ų | 115 | 40.2 Ų | 40.2 | 62% | 0.615 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -66.3 | -39.9 | -174.2 | -61.5 | -37.5 | 0 | 0 | 0 | 112.6 | A866 K867 | D863-A866 PolarHBondContact O-N 2.9Å; D863-K867 WeakPolarHBondContact O-CG 3.49Å; D863-K867 PolarHBondContact O-N 3.1Å; D863-K867 VanDerWaalsContact O-N 3.08Å |
| 864 | V | 90.5 | Very high | 92 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.3 | -46.9 | 175.3 | 172 | 0 | 0 | 0 | 0 | 110.3 | C817 I821 M857 C861 Y862 A866 K867 I868 | C817-V864 HydrophobicContact CB-CG1 4.46Å; I821-V864 HydrophobicContact CD1-CB 3.91Å; I821-V864 HydrophobicContact CD1-CG1 3.65Å; I821-V864 HydrophobicContact CD1-CG2 3.91Å; M857-V864 HydrophobicContact CB-CG1 3.74Å; M857-V864 HydrophobicContact CE-CG1 4.2Å; M857-V864 WeakPolarHBondContact O-CG1 3.46Å; C861-V864 WeakPolarHBondContact SG-CG2 3.41Å; Y862-V864 PolarHBondContact O-N 3.34Å; V864-A866 PolarHBondContact O-N 3.3Å; V864-K867 PolarHBondContact O-N 2.82Å; V864-I868 HydrophobicContact CG1-CD1 4.29Å; V864-I868 WeakPolarHBondContact O-CG1 3.3Å; V864-I868 PolarHBondContact O-N 3.42Å; V864-I868 VanDerWaalsContact O-N 3.11Å |
| 865 | A | 91.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M858 C861 Y862 K867 I868 V869 K905 L907 | M858-A865 HydrophobicContact CB-CB 4.22Å; M858-A865 HydrophobicContact CG-CB 4.37Å; C861-A865 PolarHBondContact O-N 3.44Å; Y862-A865 PolarHBondContact O-N 3.43Å; A865-K867 VanDerWaalsContact C-N 3.33Å; A865-K867 PolarHBondContact O-N 3.45Å; A865-I868 PolarHBondContact O-N 3.48Å; A865-V869 WeakPolarHBondContact O-CG2 3.44Å; A865-V869 PolarHBondContact O-N 2.86Å; A865-K905 HydrophobicContact CB-CD 3.99Å; A865-L907 HydrophobicContact CB-CD1 3.57Å |
| 866 | A | 90.5 | Very high | 91.6 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.3 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y862 D863 V864 V869 Q870 L907 | Y862-A866 HydrophobicContact CE1-CB 4.34Å; Y862-A866 WeakPolarHBondContact O-CB 3.47Å; Y862-A866 PolarHBondContact O-N 3.43Å; D863-A866 PolarHBondContact O-N 2.9Å; V864-A866 PolarHBondContact O-N 3.3Å; A866-V869 PolarHBondContact O-N 3.05Å; A866-Q870 WeakPolarHBondContact O-CB 3.26Å; A866-Q870 WeakPolarHBondContact O-CG 3.3Å; A866-Q870 PolarHBondContact O-N 3.09Å; A866-L907 HydrophobicContact CB-CD1 4.46Å; A866-L907 HydrophobicContact CB-CD2 3.76Å |
| 867 | K | 89.3 | Confident | 91.4 | Very high | 90 Ų | 90 | 48.2 Ų | 48.2 | 39% | 0.391 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.1 | -37.6 | 176.9 | -77.8 | 179.8 | 173.7 | -178.6 | 0 | 113.2 | I821 W831 D863 V864 A865 S871 | I821-K867 HydrophobicContact CD1-CB 4.03Å; I821-K867 HydrophobicContact CD1-CD 4.01Å; I821-K867 HydrophobicContact CG2-CD 3.29Å; W831-K867 HydrophobicContact CZ2-CB 4.42Å; D863-K867 WeakPolarHBondContact O-CG 3.49Å; D863-K867 PolarHBondContact O-N 3.1Å; D863-K867 VanDerWaalsContact O-N 3.08Å; V864-K867 PolarHBondContact O-N 2.82Å; A865-K867 VanDerWaalsContact C-N 3.33Å; A865-K867 PolarHBondContact O-N 3.45Å; K867-S871 WeakPolarHBondContact O-CB 3.45Å; K867-S871 PolarHBondContact O-N 3.28Å |
| 868 | I | 90.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.1 | -47.3 | 173.5 | -68.1 | 169.3 | 0 | 0 | 0 | 110 | W831 L854 M857 M858 V864 A865 Q870 S871 L873 L877 | W831-I868 HydrophobicContact CH2-CG1 3.63Å; W831-I868 HydrophobicContact CZ3-CG1 3.84Å; L854-I868 HydrophobicContact CD2-CD1 4.37Å; M857-I868 HydrophobicContact CB-CD1 3.68Å; M857-I868 HydrophobicContact CE-CD1 4.41Å; M858-I868 HydrophobicContact CG-CB 4.28Å; M858-I868 HydrophobicContact CG-CD1 3.56Å; M858-I868 HydrophobicContact CG-CG2 4.19Å; M858-I868 HydrophobicContact SD-CG2 3.99Å; V864-I868 HydrophobicContact CG1-CD1 4.29Å; V864-I868 WeakPolarHBondContact O-CG1 3.3Å; V864-I868 PolarHBondContact O-N 3.42Å; V864-I868 VanDerWaalsContact O-N 3.11Å; A865-I868 PolarHBondContact O-N 3.48Å; I868-Q870 VanDerWaalsContact C-N 3.33Å; I868-Q870 PolarHBondContact O-N 3.11Å; I868-S871 PolarHBondContact O-N 3.39Å; I868-S871 VanDerWaalsContact O-N 3.1Å; I868-S871 PolarHBondContact O-OG 2.65Å; I868-L873 HydrophobicContact CG2-CB 4.08Å; I868-L873 HydrophobicContact CG2-CD1 4.39Å; I868-L877 HydrophobicContact CG2-CD1 4.44Å |
| 869 | V | 89.9 | Confident | 90.9 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -35.5 | -179.9 | 174 | 0 | 0 | 0 | 0 | 112.4 | M858 A865 A866 S871 F874 A902 L907 I908 | M858-V869 HydrophobicContact CE-CG2 4.11Å; A865-V869 WeakPolarHBondContact O-CG2 3.44Å; A865-V869 PolarHBondContact O-N 2.86Å; A866-V869 PolarHBondContact O-N 3.05Å; V869-S871 PolarHBondContact O-N 3.39Å; V869-F874 HydrophobicContact CG1-CD2 4.26Å; V869-F874 HydrophobicContact CG1-CG 4.49Å; V869-F874 HydrophobicContact CG2-CD2 4.44Å; V869-F874 WeakPolarHBondContact O-CB 3.32Å; V869-A902 HydrophobicContact CG2-CB 3.84Å; V869-L907 HydrophobicContact CG1-CB 4.45Å; V869-L907 HydrophobicContact CG2-CB 4.24Å; V869-L907 HydrophobicContact CG2-CD1 4.15Å; V869-I908 HydrophobicContact CG1-CG2 3.8Å |
| 870 | Q | 88.3 | Confident | 90.7 | Very high | 161 Ų | 161 | 49 Ų | 49 | 75% | 0.752 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -6.9 | 176.2 | -72.4 | 169.5 | 14 | 0 | 0 | 113.8 | A866 I868 | A866-Q870 WeakPolarHBondContact O-CB 3.26Å; A866-Q870 WeakPolarHBondContact O-CG 3.3Å; A866-Q870 PolarHBondContact O-N 3.09Å; I868-Q870 VanDerWaalsContact C-N 3.33Å; I868-Q870 PolarHBondContact O-N 3.11Å |
| 871 | S | 89.6 | Confident | 90.4 | Very high | 22 Ų | 22 | 48.1 Ų | 48.1 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -106.7 | 170.5 | -177.1 | 79.5 | 0 | 0 | 0 | 0 | 112.4 | K867 I868 V869 L873 F874 | K867-S871 WeakPolarHBondContact O-CB 3.45Å; K867-S871 PolarHBondContact O-N 3.28Å; I868-S871 PolarHBondContact O-N 3.39Å; I868-S871 VanDerWaalsContact O-N 3.1Å; I868-S871 PolarHBondContact O-OG 2.65Å; V869-S871 PolarHBondContact O-N 3.39Å; S871-L873 PolarHBondContact O-N 3.13Å; S871-L873 WeakPolarHBondContact OG-CB 3.09Å; S871-L873 PolarHBondContact OG-N 2.72Å; S871-F874 WeakPolarHBondContact O-CB 3.47Å; S871-F874 PolarHBondContact O-N 3.34Å; S871-F874 VanDerWaalsContact O-N 3.12Å |
| 872 | E | 89.1 | Confident | 90.2 | Very high | 98 Ų | 98 | 53.4 Ų | 53.4 | 46% | 0.458 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -17.1 | 175.4 | -58 | -178.4 | 161 | 0 | 0 | 113.5 | K836 F874 E875 V876 | K836-E872 HydrophobicContact CD-CB 4.32Å; K836-E872 VanDerWaalsContact CD-OE2 3.3Å; K836-E872 WeakPolarHBondContact CD-OE2 3.41Å; K836-E872 WeakPolarHBondContact CE-OE2 3.16Å; K836-E872 IonicContact NZ-OE2 3.7Å; K836-E872 PolarHBondContact NZ-OE2 3.26Å; E872-F874 PolarHBondContact O-N 2.99Å; E872-E875 PolarHBondContact O-N 2.95Å; E872-E875 VanDerWaalsContact O-N 3.17Å; E872-V876 WeakPolarHBondContact O-CG2 3.38Å; E872-V876 PolarHBondContact O-N 3.36Å |
| 873 | L | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -29.3 | 175.4 | -65.8 | 170.5 | 0 | 0 | 0 | 112.3 | W831 V832 F835 K836 L854 I868 S871 V876 L877 | W831-L873 HydrophobicContact CE3-CD1 4.22Å; W831-L873 HydrophobicContact CH2-CD1 4.08Å; W831-L873 HydrophobicContact CZ3-CD1 3.49Å; W831-L873 VanDerWaalsContact CZ3-CD1 3.49Å; V832-L873 HydrophobicContact CG1-CD1 4.35Å; V832-L873 HydrophobicContact CG1-CG 4.05Å; F835-L873 HydrophobicContact CB-CD1 4.36Å; F835-L873 HydrophobicContact CB-CD2 3.85Å; K836-L873 HydrophobicContact CB-CD2 3.99Å; L854-L873 HydrophobicContact CD1-CD2 4.22Å; L854-L873 HydrophobicContact CD2-CD1 3.85Å; I868-L873 HydrophobicContact CG2-CB 4.08Å; I868-L873 HydrophobicContact CG2-CD1 4.39Å; S871-L873 PolarHBondContact O-N 3.13Å; S871-L873 WeakPolarHBondContact OG-CB 3.09Å; S871-L873 PolarHBondContact OG-N 2.72Å; L873-V876 PolarHBondContact O-N 2.67Å; L873-L877 WeakPolarHBondContact O-CG 3.36Å; L873-L877 PolarHBondContact O-N 2.91Å |
| 874 | F | 91.4 | Very high | 89.2 | Confident | 57 Ų | 57 | 54.6 Ų | 54.6 | 25% | 0.25 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 174.5 | 179.7 | -111.3 | 0 | 0 | 0 | 111.8 | V869 S871 E872 V876 L877 V878 L899 I908 | V869-F874 HydrophobicContact CG1-CD2 4.26Å; V869-F874 HydrophobicContact CG1-CG 4.49Å; V869-F874 HydrophobicContact CG2-CD2 4.44Å; V869-F874 WeakPolarHBondContact O-CB 3.32Å; S871-F874 WeakPolarHBondContact O-CB 3.47Å; S871-F874 PolarHBondContact O-N 3.34Å; S871-F874 VanDerWaalsContact O-N 3.12Å; E872-F874 PolarHBondContact O-N 2.99Å; F874-V876 VanDerWaalsContact C-N 3.27Å; F874-V876 PolarHBondContact O-N 3.36Å; F874-L877 PolarHBondContact O-N 3.12Å; F874-V878 HydrophobicContact CD1-CG2 4.48Å; F874-V878 HydrophobicContact CD2-CG2 4.48Å; F874-V878 HydrophobicContact CE1-CG2 4.05Å; F874-V878 HydrophobicContact CE2-CG2 4.03Å; F874-V878 HydrophobicContact CZ-CG2 3.8Å; F874-V878 WeakPolarHBondContact O-CG2 3.49Å; F874-V878 PolarHBondContact O-N 3.1Å; F874-L899 HydrophobicContact CD2-CD2 4Å; F874-L899 HydrophobicContact CE2-CD2 3.55Å; F874-L899 HydrophobicContact CZ-CD2 4.45Å; F874-I908 HydrophobicContact CE2-CD1 4.12Å; F874-I908 HydrophobicContact CE2-CG2 3.76Å; F874-I908 HydrophobicContact CZ-CD1 4.5Å; F874-I908 HydrophobicContact CZ-CG2 3.88Å |
| 875 | E | 91.5 | Very high | 88.5 | Confident | 139 Ų | 139 | 57 Ų | 57 | 65% | 0.65 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.5 | -38.6 | 177.3 | -61 | 177.9 | -172.1 | 0 | 0 | 110.9 | E872 V878 A879 | E872-E875 PolarHBondContact O-N 2.95Å; E872-E875 VanDerWaalsContact O-N 3.17Å; E875-V878 PolarHBondContact O-N 3.48Å; E875-A879 VanDerWaalsContact O-CB 3.27Å; E875-A879 WeakPolarHBondContact O-CB 3.2Å; E875-A879 PolarHBondContact O-N 3.41Å |
| 876 | V | 92.2 | Very high | 87.7 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 174.4 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | K836 C839 M840 E872 L873 F874 V878 A879 I880 | K836-V876 HydrophobicContact CG-CG2 4.1Å; C839-V876 HydrophobicContact CB-CG1 3.82Å; M840-V876 HydrophobicContact CG-CG1 4.14Å; M840-V876 HydrophobicContact SD-CG2 4.26Å; E872-V876 WeakPolarHBondContact O-CG2 3.38Å; E872-V876 PolarHBondContact O-N 3.36Å; L873-V876 PolarHBondContact O-N 2.67Å; F874-V876 VanDerWaalsContact C-N 3.27Å; F874-V876 PolarHBondContact O-N 3.36Å; V876-V878 PolarHBondContact O-N 2.98Å; V876-A879 PolarHBondContact O-N 2.76Å; V876-I880 HydrophobicContact CG1-CD1 3.64Å; V876-I880 HydrophobicContact CG1-CG1 4.37Å; V876-I880 WeakPolarHBondContact O-CB 3.46Å; V876-I880 VanDerWaalsContact O-CG1 3.27Å; V876-I880 WeakPolarHBondContact O-CG1 3.37Å; V876-I880 PolarHBondContact O-N 2.99Å |
| 877 | L | 92.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 176.4 | -71.1 | 171.4 | 0 | 0 | 0 | 111.9 | L851 L854 M858 I868 L873 F874 S881 A895 A898 L899 | L851-L877 HydrophobicContact CD2-CD2 3.67Å; L854-L877 HydrophobicContact CD1-CD2 4.15Å; L854-L877 HydrophobicContact CD1-CG 4.43Å; M858-L877 HydrophobicContact SD-CD1 3.95Å; I868-L877 HydrophobicContact CG2-CD1 4.44Å; L873-L877 WeakPolarHBondContact O-CG 3.36Å; L873-L877 PolarHBondContact O-N 2.91Å; F874-L877 PolarHBondContact O-N 3.12Å; L877-S881 WeakPolarHBondContact O-CB 3.41Å; L877-S881 PolarHBondContact O-N 3.28Å; L877-S881 PolarHBondContact O-OG 2.98Å; L877-A895 HydrophobicContact CD2-CB 4.22Å; L877-A898 HydrophobicContact CD1-CB 4.04Å; L877-A898 HydrophobicContact CD2-CB 4.01Å; L877-L899 HydrophobicContact CB-CD2 4.07Å; L877-L899 HydrophobicContact CB-CG 4.29Å |
| 878 | V | 90.4 | Very high | 87.2 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 21% | 0.212 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67 | -40.1 | 176.5 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | F874 E875 V876 S881 K882 L899 | F874-V878 HydrophobicContact CD1-CG2 4.48Å; F874-V878 HydrophobicContact CD2-CG2 4.48Å; F874-V878 HydrophobicContact CE1-CG2 4.05Å; F874-V878 HydrophobicContact CE2-CG2 4.03Å; F874-V878 HydrophobicContact CZ-CG2 3.8Å; F874-V878 WeakPolarHBondContact O-CG2 3.49Å; F874-V878 PolarHBondContact O-N 3.1Å; E875-V878 PolarHBondContact O-N 3.48Å; V876-V878 PolarHBondContact O-N 2.98Å; V878-S881 PolarHBondContact O-OG 3.41Å; V878-K882 HydrophobicContact CG1-CD 4.25Å; V878-K882 WeakPolarHBondContact O-CG 3.09Å; V878-L899 HydrophobicContact CG2-CD1 4.24Å; V878-L899 HydrophobicContact CG2-CD2 3.83Å |
| 879 | A | 89.2 | Confident | 87 | Confident | 57 Ų | 57 | 67.2 Ų | 67.2 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | E875 V876 S881 K882 L883 | E875-A879 VanDerWaalsContact O-CB 3.27Å; E875-A879 WeakPolarHBondContact O-CB 3.2Å; E875-A879 PolarHBondContact O-N 3.41Å; V876-A879 PolarHBondContact O-N 2.76Å; A879-S881 PolarHBondContact O-N 3.33Å; A879-K882 PolarHBondContact O-N 3.01Å; A879-L883 PolarHBondContact O-N 2.91Å |
| 880 | I | 90.1 | Very high | 87 | Confident | 8 Ų | 8 | 70.5 Ų | 70.5 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 179.5 | -68.2 | 169 | 0 | 0 | 0 | 110.9 | C839 L851 V876 K882 L883 L892 A895 | C839-I880 HydrophobicContact CB-CD1 4.3Å; C839-I880 WeakPolarHBondContact O-CD1 3.34Å; L851-I880 HydrophobicContact CD1-CD1 4.35Å; L851-I880 HydrophobicContact CD1-CG2 4.11Å; L851-I880 HydrophobicContact CD2-CD1 3.93Å; V876-I880 HydrophobicContact CG1-CD1 3.64Å; V876-I880 HydrophobicContact CG1-CG1 4.37Å; V876-I880 WeakPolarHBondContact O-CB 3.46Å; V876-I880 VanDerWaalsContact O-CG1 3.27Å; V876-I880 WeakPolarHBondContact O-CG1 3.37Å; V876-I880 PolarHBondContact O-N 2.99Å; I880-K882 PolarHBondContact O-N 3.43Å; I880-K882 VanDerWaalsContact O-N 3.1Å; I880-L883 HydrophobicContact CB-CD1 4.49Å; I880-L883 HydrophobicContact CG1-CD1 4.37Å; I880-L883 WeakPolarHBondContact O-CB 3.49Å; I880-L883 PolarHBondContact O-N 3.31Å; I880-L883 VanDerWaalsContact O-N 3.09Å; I880-L892 WeakPolarHBondContact O-CD2 3.27Å; I880-A895 HydrophobicContact CB-CB 4.18Å; I880-A895 HydrophobicContact CG2-CB 3.82Å |
| 881 | S | 87.7 | Confident | 87.2 | Confident | 14 Ų | 14 | 63 Ų | 63 | 10% | 0.098 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.2 | -18.6 | -177.9 | 72.2 | 0 | 0 | 0 | 0 | 114.6 | L877 V878 A879 R896 | L877-S881 WeakPolarHBondContact O-CB 3.41Å; L877-S881 PolarHBondContact O-N 3.28Å; L877-S881 PolarHBondContact O-OG 2.98Å; V878-S881 PolarHBondContact O-OG 3.41Å; A879-S881 PolarHBondContact O-N 3.33Å; S881-R896 PolarHBondContact O-NE 2.88Å; S881-R896 PolarHBondContact O-NH2 3.4Å; S881-R896 VanDerWaalsContact O-NH2 3.13Å |
| 882 | K | 86.4 | Confident | 87.2 | Confident | 151 Ų | 151 | 63 Ų | 63 | 66% | 0.657 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -7.5 | 178.9 | -68.3 | 174.7 | -178.6 | 172.6 | 0 | 114.1 | V878 A879 I880 | V878-K882 HydrophobicContact CG1-CD 4.25Å; V878-K882 WeakPolarHBondContact O-CG 3.09Å; A879-K882 PolarHBondContact O-N 3.01Å; I880-K882 PolarHBondContact O-N 3.43Å; I880-K882 VanDerWaalsContact O-N 3.1Å |
| 883 | L | 83.1 | Confident | 87.4 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 45% | 0.45 | 33% | 0.334 | S | S | . | . | trans | -62.7 | 139.8 | 176.7 | -67.5 | 172.7 | 0 | 0 | 0 | 110.4 | A879 I880 L892 | A879-L883 PolarHBondContact O-N 2.91Å; I880-L883 HydrophobicContact CB-CD1 4.49Å; I880-L883 HydrophobicContact CG1-CD1 4.37Å; I880-L883 WeakPolarHBondContact O-CB 3.49Å; I880-L883 PolarHBondContact O-N 3.31Å; I880-L883 VanDerWaalsContact O-N 3.09Å; L883-L892 HydrophobicContact CB-CD2 4.23Å; L883-L892 WeakPolarHBondContact O-CD2 3.43Å | ||
| 884 | Q | 76.4 | Confident | 87.5 | Confident | 178 Ų | 178 | 63.5 Ų | 63.5 | 83% | 0.832 | 34% | 0.336 | S | S | * | . | trans | -102.1 | 58 | 174.1 | -65.5 | -173.2 | -4.7 | 0 | 0 | 110 | ||||
| 885 | D | 75.9 | Confident | 87.6 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 28% | 0.283 | 32% | 0.324 | S | S | . | . | trans | -112.8 | 103.6 | 177.7 | -175.8 | -2.9 | 0 | 0 | 0 | 110.2 | E887 R888 L892 | D885-E887 PolarHBondContact O-N 3.3Å; D885-E887 PolarHBondContact OD1-N 2.99Å; D885-R888 HydrophobicContact CB-CB 4.3Å; D885-R888 PolarHBondContact O-N 3.2Å; D885-R888 VanDerWaalsContact O-N 3.11Å; D885-R888 WeakPolarHBondContact OD2-CD 3.46Å; D885-R888 WeakPolarHBondContact OD2-CG 3.33Å; D885-R888 IonicContact OD2-NE 3.26Å; D885-R888 PolarHBondContact OD2-NE 3.41Å; D885-L892 WeakPolarHBondContact O-CD1 3.39Å | ||
| 886 | G | 76.3 | Confident | 87.6 | Confident | 72 Ų | 72 | 60.7 Ų | 60.7 | 74% | 0.742 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -62.2 | -25.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R888 | G886-R888 PolarHBondContact O-N 3.21Š|
| 887 | E | 82.3 | Confident | 87.7 | Confident | 145 Ų | 145 | 63.3 Ų | 63.3 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -78.7 | -10 | 178.9 | -54.2 | -168.4 | 143 | 0 | 0 | 112.9 | K844 D885 | K844-E887 WeakPolarHBondContact CE-OE2 3.4Å; K844-E887 VanDerWaalsContact NZ-CB 3.29Å; K844-E887 IonicContact NZ-OE2 3.88Å; K844-E887 PolarHBondContact NZ-OE2 2.81Å; D885-E887 PolarHBondContact O-N 3.3Å; D885-E887 PolarHBondContact OD1-N 2.99Å |
| 888 | R | 85.8 | Confident | 87.8 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 16% | 0.162 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -115.3 | 27.9 | 178.8 | -67.5 | -178.3 | -173.8 | -118.1 | 1.1 | 112.6 | H841 A842 K844 D885 G886 E890 C891 L892 | H841-R888 PolarHBondContact O-NH1 3.17Å; A842-R888 PolarHBondContact O-NH2 3.38Å; K844-R888 HydrophobicContact CD-CG 4.26Å; K844-R888 HydrophobicContact CG-CG 4Å; D885-R888 HydrophobicContact CB-CB 4.3Å; D885-R888 PolarHBondContact O-N 3.2Å; D885-R888 VanDerWaalsContact O-N 3.11Å; D885-R888 WeakPolarHBondContact OD2-CD 3.46Å; D885-R888 WeakPolarHBondContact OD2-CG 3.33Å; D885-R888 IonicContact OD2-NE 3.26Å; D885-R888 PolarHBondContact OD2-NE 3.41Å; G886-R888 PolarHBondContact O-N 3.21Å; R888-E890 VanDerWaalsContact C-N 3.27Å; R888-E890 PolarHBondContact O-N 2.81Å; R888-C891 HydrophobicContact CB-CB 4.19Å; R888-C891 WeakPolarHBondContact O-CB 3.43Å; R888-C891 PolarHBondContact O-N 2.96Å; R888-L892 PolarHBondContact O-N 3.48Å |
| 889 | A | 87.8 | Confident | 87.9 | Confident | 56 Ų | 56 | 62.6 Ų | 62.6 | 46% | 0.463 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -52.2 | -40.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L892 R893 | A889-L892 WeakPolarHBondContact O-CB 3.27Å; A889-L892 PolarHBondContact O-N 3.36Å; A889-R893 PolarHBondContact O-N 3.11Å |
| 890 | E | 89.2 | Confident | 88 | Confident | 93 Ų | 93 | 64 Ų | 64 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68 | -37.4 | 176.6 | -72.9 | -60.2 | 126.8 | 0 | 0 | 112.9 | R848 R888 R893 L894 | R848-E890 HydrophobicContact CG-CB 4.35Å; R888-E890 VanDerWaalsContact C-N 3.27Å; R888-E890 PolarHBondContact O-N 2.81Å; E890-R893 PolarHBondContact O-N 3.17Å; E890-R893 IonicContact OE1-NE 3.78Å; E890-R893 IonicContact OE2-CZ 3.09Å; E890-R893 IonicContact OE2-NE 2.67Å; E890-R893 PolarHBondContact OE2-NE 3.36Å; E890-R893 IonicContact OE2-NH2 3.96Å; E890-R893 PolarHBondContact OE2-NH2 2.89Å; E890-L894 WeakPolarHBondContact O-CG 3.2Å; E890-L894 PolarHBondContact O-N 3.23Å |
| 891 | C | 91.5 | Very high | 88.1 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 174.6 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | Q847 L851 R888 R893 L894 A895 | Q847-C891 HydrophobicContact CG-CB 4.29Å; Q847-C891 PolarHBondContact OE1-SG 3.32Å; L851-C891 HydrophobicContact CD1-CB 3.62Å; L851-C891 WeakPolarHBondContact CD1-O 3.38Å; R888-C891 HydrophobicContact CB-CB 4.19Å; R888-C891 WeakPolarHBondContact O-CB 3.43Å; R888-C891 PolarHBondContact O-N 2.96Å; C891-R893 VanDerWaalsContact C-N 3.31Å; C891-R893 PolarHBondContact O-N 2.89Å; C891-L894 PolarHBondContact O-N 2.88Å; C891-A895 WeakPolarHBondContact O-CB 3.48Å; C891-A895 PolarHBondContact O-N 3.33Å |
| 892 | L | 91.3 | Very high | 88.3 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 174.5 | -76.7 | 156.8 | 0 | 0 | 0 | 111.5 | I880 L883 D885 R888 A889 R896 | I880-L892 WeakPolarHBondContact O-CD2 3.27Å; L883-L892 HydrophobicContact CB-CD2 4.23Å; L883-L892 WeakPolarHBondContact O-CD2 3.43Å; D885-L892 WeakPolarHBondContact O-CD1 3.39Å; R888-L892 PolarHBondContact O-N 3.48Å; A889-L892 WeakPolarHBondContact O-CB 3.27Å; A889-L892 PolarHBondContact O-N 3.36Å; L892-R896 VanDerWaalsContact O-CG 3.3Å; L892-R896 WeakPolarHBondContact O-CG 3.39Å; L892-R896 PolarHBondContact O-N 2.99Å |
| 893 | R | 92.2 | Very high | 88.4 | Confident | 103 Ų | 103 | 58.8 Ų | 58.8 | 39% | 0.389 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61 | -51 | 177.3 | -173.7 | -178.7 | 66.9 | 80.5 | 0.8 | 111.6 | A889 E890 C891 A895 R896 E897 | A889-R893 PolarHBondContact O-N 3.11Å; E890-R893 PolarHBondContact O-N 3.17Å; E890-R893 IonicContact OE1-NE 3.78Å; E890-R893 IonicContact OE2-CZ 3.09Å; E890-R893 IonicContact OE2-NE 2.67Å; E890-R893 PolarHBondContact OE2-NE 3.36Å; E890-R893 IonicContact OE2-NH2 3.96Å; E890-R893 PolarHBondContact OE2-NH2 2.89Å; C891-R893 VanDerWaalsContact C-N 3.31Å; C891-R893 PolarHBondContact O-N 2.89Å; R893-A895 VanDerWaalsContact C-N 3.35Å; R893-A895 PolarHBondContact O-N 3.4Å; R893-R896 PolarHBondContact O-N 2.6Å; R893-E897 WeakPolarHBondContact CG-OE1 3.47Å; R893-E897 IonicContact CZ-OE1 3.61Å; R893-E897 IonicContact NH1-OE1 3.14Å; R893-E897 PolarHBondContact NH1-OE1 3.3Å; R893-E897 IonicContact NH1-OE2 2.69Å; R893-E897 PolarHBondContact NH1-OE2 2.96Å; R893-E897 VanDerWaalsContact NH1-OE2 3.13Å; R893-E897 WeakPolarHBondContact O-CG 3.44Å; R893-E897 PolarHBondContact O-N 3.22Å |
| 894 | L | 94.5 | Very high | 88.6 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 179.9 | -70 | 170.1 | 0 | 0 | 0 | 112.3 | R848 L851 L852 L855 E890 C891 E897 A898 | R848-L894 HydrophobicContact CG-CD1 3.76Å; R848-L894 VanDerWaalsContact O-CD1 3.27Å; R848-L894 WeakPolarHBondContact O-CD1 3.33Å; L851-L894 HydrophobicContact CB-CB 3.92Å; L851-L894 HydrophobicContact CB-CD1 4.21Å; L852-L894 HydrophobicContact CB-CD1 4.23Å; L852-L894 HydrophobicContact CD1-CD2 4.14Å; L855-L894 HydrophobicContact CD2-CD2 3.73Å; E890-L894 WeakPolarHBondContact O-CG 3.2Å; E890-L894 PolarHBondContact O-N 3.23Å; C891-L894 PolarHBondContact O-N 2.88Å; L894-E897 PolarHBondContact O-N 3.47Å; L894-A898 WeakPolarHBondContact O-CB 3.35Å; L894-A898 PolarHBondContact O-N 3.37Å |
| 895 | A | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L851 L877 I880 C891 R893 A898 L899 | L851-A895 HydrophobicContact CD2-CB 4.34Å; L877-A895 HydrophobicContact CD2-CB 4.22Å; I880-A895 HydrophobicContact CB-CB 4.18Å; I880-A895 HydrophobicContact CG2-CB 3.82Å; C891-A895 WeakPolarHBondContact O-CB 3.48Å; C891-A895 PolarHBondContact O-N 3.33Å; R893-A895 VanDerWaalsContact C-N 3.35Å; R893-A895 PolarHBondContact O-N 3.4Å; A895-A898 PolarHBondContact O-N 2.99Å; A895-L899 WeakPolarHBondContact O-CG 3.36Å; A895-L899 PolarHBondContact O-N 2.89Å; A895-L899 VanDerWaalsContact O-N 3.08Å |
| 896 | R | 91.9 | Very high | 89.9 | Confident | 137 Ų | 137 | 63 Ų | 63 | 52% | 0.517 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 175.4 | -72 | 174.2 | -174.4 | 179.1 | 2.9 | 112.3 | S881 L892 R893 A898 L899 N900 | S881-R896 PolarHBondContact O-NE 2.88Å; S881-R896 PolarHBondContact O-NH2 3.4Å; S881-R896 VanDerWaalsContact O-NH2 3.13Å; L892-R896 VanDerWaalsContact O-CG 3.3Å; L892-R896 WeakPolarHBondContact O-CG 3.39Å; L892-R896 PolarHBondContact O-N 2.99Å; R893-R896 PolarHBondContact O-N 2.6Å; R896-A898 VanDerWaalsContact C-N 3.32Å; R896-A898 PolarHBondContact O-N 3.16Å; R896-L899 PolarHBondContact O-N 3.08Å; R896-N900 PolarHBondContact O-N 3.28Å; R896-N900 PolarHBondContact O-ND2 3.42Å |
| 897 | E | 94.6 | Very high | 90.4 | Very high | 66 Ų | 66 | 61.3 Ų | 61.3 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 175.4 | -76.1 | 174.2 | -166.1 | 0 | 0 | 111.4 | L855 R893 L894 L899 N900 V901 | L855-E897 HydrophobicContact CD1-CB 4.06Å; L855-E897 HydrophobicContact CD2-CB 4.1Å; R893-E897 WeakPolarHBondContact CG-OE1 3.47Å; R893-E897 IonicContact CZ-OE1 3.61Å; R893-E897 IonicContact NH1-OE1 3.14Å; R893-E897 PolarHBondContact NH1-OE1 3.3Å; R893-E897 IonicContact NH1-OE2 2.69Å; R893-E897 PolarHBondContact NH1-OE2 2.96Å; R893-E897 VanDerWaalsContact NH1-OE2 3.13Å; R893-E897 WeakPolarHBondContact O-CG 3.44Å; R893-E897 PolarHBondContact O-N 3.22Å; L894-E897 PolarHBondContact O-N 3.47Å; E897-L899 PolarHBondContact O-N 3.48Å; E897-N900 WeakPolarHBondContact O-CB 3.45Å; E897-N900 PolarHBondContact O-N 2.89Å; E897-V901 WeakPolarHBondContact O-CG2 3.3Å; E897-V901 PolarHBondContact O-N 3.21Å |
| 898 | A | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L855 M858 L877 L894 A895 R896 V901 A902 | L855-A898 HydrophobicContact CD1-CB 4.23Å; M858-A898 WeakPolarHBondContact CE-O 3.48Å; M858-A898 HydrophobicContact SD-CB 3.8Å; L877-A898 HydrophobicContact CD1-CB 4.04Å; L877-A898 HydrophobicContact CD2-CB 4.01Å; L894-A898 WeakPolarHBondContact O-CB 3.35Å; L894-A898 PolarHBondContact O-N 3.37Å; A895-A898 PolarHBondContact O-N 2.99Å; R896-A898 VanDerWaalsContact C-N 3.32Å; R896-A898 PolarHBondContact O-N 3.16Å; A898-V901 WeakPolarHBondContact O-CB 3.45Å; A898-V901 PolarHBondContact O-N 3.42Å; A898-A902 PolarHBondContact O-N 3.25Å; A898-A902 VanDerWaalsContact O-N 3.1Å |
| 899 | L | 92.4 | Very high | 90.1 | Very high | 22 Ų | 22 | 61.7 Ų | 61.7 | 12% | 0.115 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64 | -40.1 | 175 | -66.8 | 170.7 | 0 | 0 | 0 | 112.1 | F874 L877 V878 A895 R896 E897 V901 A902 E903 | F874-L899 HydrophobicContact CD2-CD2 4Å; F874-L899 HydrophobicContact CE2-CD2 3.55Å; F874-L899 HydrophobicContact CZ-CD2 4.45Å; L877-L899 HydrophobicContact CB-CD2 4.07Å; L877-L899 HydrophobicContact CB-CG 4.29Å; V878-L899 HydrophobicContact CG2-CD1 4.24Å; V878-L899 HydrophobicContact CG2-CD2 3.83Å; A895-L899 WeakPolarHBondContact O-CG 3.36Å; A895-L899 PolarHBondContact O-N 2.89Å; A895-L899 VanDerWaalsContact O-N 3.08Å; R896-L899 PolarHBondContact O-N 3.08Å; E897-L899 PolarHBondContact O-N 3.48Å; L899-V901 VanDerWaalsContact C-N 3.29Å; L899-V901 PolarHBondContact O-N 3.06Å; L899-A902 WeakPolarHBondContact O-CB 3.33Å; L899-A902 PolarHBondContact O-N 3.34Å; L899-A902 VanDerWaalsContact O-N 3.16Å; L899-E903 PolarHBondContact O-N 3.01Å |
| 900 | N | 91.6 | Very high | 89.1 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 174.4 | -69.4 | -22.6 | 0 | 0 | 0 | 111.8 | R896 E897 E903 H904 | R896-N900 PolarHBondContact O-N 3.28Å; R896-N900 PolarHBondContact O-ND2 3.42Å; E897-N900 WeakPolarHBondContact O-CB 3.45Å; E897-N900 PolarHBondContact O-N 2.89Å; N900-E903 PolarHBondContact O-N 3.38Å; N900-H904 WeakPolarHBondContact O-CB 3.36Å; N900-H904 PolarHBondContact O-N 2.98Å |
| 901 | V | 92.7 | Very high | 88 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 174.4 | 173.1 | 0 | 0 | 0 | 0 | 111 | L855 M858 N859 E897 A898 L899 H904 K905 | L855-V901 HydrophobicContact CD1-CG2 4.02Å; M858-V901 HydrophobicContact CB-CG1 4Å; N859-V901 WeakPolarHBondContact OD1-CG2 3.33Å; E897-V901 WeakPolarHBondContact O-CG2 3.3Å; E897-V901 PolarHBondContact O-N 3.21Å; A898-V901 WeakPolarHBondContact O-CB 3.45Å; A898-V901 PolarHBondContact O-N 3.42Å; L899-V901 VanDerWaalsContact C-N 3.29Å; L899-V901 PolarHBondContact O-N 3.06Å; V901-H904 PolarHBondContact O-N 3.29Å; V901-K905 HydrophobicContact CG1-CD 4.07Å; V901-K905 WeakPolarHBondContact O-CB 3.14Å; V901-K905 WeakPolarHBondContact O-CG 2.96Å; V901-K905 PolarHBondContact O-N 3.47Å |
| 902 | A | 90.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M858 V869 A898 L899 K905 K906 L907 I908 | M858-A902 HydrophobicContact CE-CB 3.62Å; V869-A902 HydrophobicContact CG2-CB 3.84Å; A898-A902 PolarHBondContact O-N 3.25Å; A898-A902 VanDerWaalsContact O-N 3.1Å; L899-A902 WeakPolarHBondContact O-CB 3.33Å; L899-A902 PolarHBondContact O-N 3.34Å; L899-A902 VanDerWaalsContact O-N 3.16Å; A902-K905 PolarHBondContact O-N 3.39Å; A902-K906 PolarHBondContact O-N 2.98Å; A902-L907 HydrophobicContact CB-CB 4.37Å; A902-L907 WeakPolarHBondContact O-CB 3.41Å; A902-L907 PolarHBondContact O-N 2.72Å; A902-I908 HydrophobicContact CB-CD1 3.81Å; A902-I908 HydrophobicContact CB-CG1 3.88Å; A902-I908 HydrophobicContact CB-CG2 4.36Å |
| 903 | E | 88.4 | Confident | 85.4 | Confident | 43 Ų | 43 | 71.5 Ų | 71.5 | 20% | 0.201 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 176.4 | -169.5 | -170.2 | 173.4 | 0 | 0 | 111.2 | L899 N900 K905 K906 I908 R918 | L899-E903 PolarHBondContact O-N 3.01Å; N900-E903 PolarHBondContact O-N 3.38Å; E903-K905 VanDerWaalsContact C-N 3.28Å; E903-K905 PolarHBondContact O-N 3.09Å; E903-K906 WeakPolarHBondContact O-CA 3.45Å; E903-K906 PolarHBondContact O-N 2.69Å; E903-I908 HydrophobicContact CB-CD1 4.42Å; E903-I908 HydrophobicContact CB-CG1 4.08Å; E903-R918 IonicContact OE1-CZ 2.72Å; E903-R918 IonicContact OE1-NH1 3.68Å; E903-R918 PolarHBondContact OE1-NH1 2.98Å; E903-R918 IonicContact OE1-NH2 3.43Å; E903-R918 IonicContact OE2-CZ 3.26Å; E903-R918 IonicContact OE2-NH1 2.76Å; E903-R918 PolarHBondContact OE2-NH1 2.67Å; E903-R918 IonicContact OE2-NH2 3.22Å; E903-R918 PolarHBondContact OE2-NH2 2.92Å |
| 904 | H | 89.1 | Confident | 84.1 | Confident | 168 Ų | 168 | 70.5 Ų | 70.5 | 78% | 0.778 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.4 | -37.2 | 179.2 | -171.5 | 68.7 | 0 | 0 | 0 | 112.3 | N900 V901 K906 | N900-H904 WeakPolarHBondContact O-CB 3.36Å; N900-H904 PolarHBondContact O-N 2.98Å; V901-H904 PolarHBondContact O-N 3.29Å; H904-K906 PolarHBondContact O-N 3.1Å |
| 905 | K | 90.1 | Very high | 82.6 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 23% | 0.226 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 3.4 | 173.7 | -68 | 179 | -170.6 | -115.2 | 0 | 113.3 | M858 N859 Y862 A865 V901 A902 E903 L907 | M858-K905 WeakPolarHBondContact O-CE 3.46Å; M858-K905 PolarHBondContact O-NZ 3.26Å; N859-K905 PolarHBondContact O-NZ 2.81Å; Y862-K905 HydrophobicContact CD2-CB 4.34Å; Y862-K905 WeakPolarHBondContact CE2-O 3.3Å; A865-K905 HydrophobicContact CB-CD 3.99Å; V901-K905 HydrophobicContact CG1-CD 4.07Å; V901-K905 WeakPolarHBondContact O-CB 3.14Å; V901-K905 WeakPolarHBondContact O-CG 2.96Å; V901-K905 PolarHBondContact O-N 3.47Å; A902-K905 PolarHBondContact O-N 3.39Å; E903-K905 VanDerWaalsContact C-N 3.28Å; E903-K905 PolarHBondContact O-N 3.09Å; K905-L907 HydrophobicContact CB-CD1 4.16Å; K905-L907 HydrophobicContact CB-CG 4.16Å; K905-L907 PolarHBondContact O-N 3.13Å |
| 906 | K | 88.3 | Confident | 81.4 | Confident | 185 Ų | 185 | 79.1 Ų | 79.1 | 80% | 0.804 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 28.6 | -179 | -53.9 | -179.7 | -179.6 | 179.2 | 0 | 114 | A902 E903 H904 | A902-K906 PolarHBondContact O-N 2.98Å; E903-K906 WeakPolarHBondContact O-CA 3.45Å; E903-K906 PolarHBondContact O-N 2.69Å; H904-K906 PolarHBondContact O-N 3.1Å |
| 907 | L | 87.2 | Confident | 80.2 | Confident | 37 Ų | 37 | 75.2 Ų | 75.2 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -81 | -26.5 | 175.2 | -66.9 | 171 | 0 | 0 | 0 | 111.8 | Y862 A865 A866 V869 A902 K905 | Y862-L907 HydrophobicContact CD2-CD2 4.34Å; Y862-L907 HydrophobicContact CE1-CD2 4.22Å; Y862-L907 HydrophobicContact CE2-CD2 3.55Å; Y862-L907 HydrophobicContact CE2-CG 4.07Å; Y862-L907 VanDerWaalsContact CZ-CD2 3.48Å; Y862-L907 WeakPolarHBondContact OH-CD2 3.26Å; A865-L907 HydrophobicContact CB-CD1 3.57Å; A866-L907 HydrophobicContact CB-CD1 4.46Å; A866-L907 HydrophobicContact CB-CD2 3.76Å; V869-L907 HydrophobicContact CG1-CB 4.45Å; V869-L907 HydrophobicContact CG2-CB 4.24Å; V869-L907 HydrophobicContact CG2-CD1 4.15Å; A902-L907 HydrophobicContact CB-CB 4.37Å; A902-L907 WeakPolarHBondContact O-CB 3.41Å; A902-L907 PolarHBondContact O-N 2.72Å; K905-L907 HydrophobicContact CB-CD1 4.16Å; K905-L907 HydrophobicContact CB-CG 4.16Å; K905-L907 PolarHBondContact O-N 3.13Å |
| 908 | I | 85.3 | Confident | 78.9 | Confident | 38 Ų | 38 | 78.5 Ų | 78.5 | 20% | 0.195 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -130.1 | 152.7 | 174.8 | 63.9 | 177.1 | 0 | 0 | 0 | 109.7 | V869 F874 A902 E903 | V869-I908 HydrophobicContact CG1-CG2 3.8Å; F874-I908 HydrophobicContact CE2-CD1 4.12Å; F874-I908 HydrophobicContact CE2-CG2 3.76Å; F874-I908 HydrophobicContact CZ-CD1 4.5Å; F874-I908 HydrophobicContact CZ-CG2 3.88Å; A902-I908 HydrophobicContact CB-CD1 3.81Å; A902-I908 HydrophobicContact CB-CG1 3.88Å; A902-I908 HydrophobicContact CB-CG2 4.36Å; E903-I908 HydrophobicContact CB-CD1 4.42Å; E903-I908 HydrophobicContact CB-CG1 4.08Å |
| 909 | L | 76.5 | Confident | 77.8 | Confident | 158 Ų | 158 | 85 Ų | 85 | 83% | 0.827 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -94.9 | 142.3 | 168.8 | -68.8 | 169.1 | 0 | 0 | 0 | 108.9 | ||
| 910 | P | 67.1 | Low | 76.8 | Confident | 30 Ų | 30 | 86.8 Ų | 86.8 | 20% | 0.195 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 143.7 | 170.6 | 26 | -32.5 | 0 | 0 | 0 | 109.6 | L915 | P910-L915 HydrophobicContact CB-CD2 4.26Å; P910-L915 HydrophobicContact CB-CG 4.09Å; P910-L915 HydrophobicContact CG-CD1 4.25Å; P910-L915 HydrophobicContact CG-CD2 3.78Å; P910-L915 HydrophobicContact CG-CG 3.95Å |
| 911 | T | 66.4 | Low | 75.5 | Confident | 75 Ų | 75 | 86.1 Ų | 86.1 | 46% | 0.46 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -69 | 151 | 174.7 | 51.6 | 0 | 0 | 0 | 0 | 110.7 | R913 E914 L915 | T911-R913 PolarHBondContact O-N 3.26Å; T911-E914 PolarHBondContact N-OE2 3.31Å; T911-E914 PolarHBondContact O-N 2.92Å; T911-E914 VanDerWaalsContact OG1-CG 3.27Å; T911-E914 WeakPolarHBondContact OG1-CG 3.29Å; T911-E914 PolarHBondContact OG1-N 3.02Å; T911-E914 PolarHBondContact OG1-OE2 2.75Å; T911-L915 PolarHBondContact O-N 3.24Å |
| 912 | D | 65.5 | Low | 74 | Confident | 145 Ų | 145 | 91.7 Ų | 91.7 | 78% | 0.775 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -51.8 | -31.8 | 175.1 | -67.4 | -27.6 | 0 | 0 | 0 | 112.2 | Y916 | D912-Y916 WeakPolarHBondContact O-CB 3.31Å; D912-Y916 PolarHBondContact O-N 3.48Å |
| 913 | R | 62.9 | Low | 72.5 | Confident | 129 Ų | 129 | 96 Ų | 96 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.9 | -49 | 174.3 | -175.2 | -176.6 | -180 | 167 | 8.9 | 112.5 | T911 L915 Y916 E917 T924 | T911-R913 PolarHBondContact O-N 3.26Å; R913-L915 VanDerWaalsContact C-N 3.33Å; R913-Y916 WeakPolarHBondContact O-CB 3.37Å; R913-Y916 PolarHBondContact O-N 2.95Å; R913-E917 IonicContact NE-OE1 3.98Å; R913-E917 WeakPolarHBondContact O-CG 3.29Å; R913-E917 PolarHBondContact O-N 3.43Å; R913-T924 VanDerWaalsContact CZ-OG1 3.3Å; R913-T924 PolarHBondContact NE-OG1 2.9Å; R913-T924 PolarHBondContact NH2-O 2.77Å; R913-T924 PolarHBondContact NH2-OG1 3.42Å |
| 914 | E | 63.1 | Low | 71.3 | Confident | 83 Ų | 83 | 96.7 Ų | 96.7 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 178.1 | -74.2 | 162.1 | 153.2 | 0 | 0 | 111.5 | T911 Y916 E917 R918 | T911-E914 PolarHBondContact N-OE2 3.31Å; T911-E914 PolarHBondContact O-N 2.92Å; T911-E914 VanDerWaalsContact OG1-CG 3.27Å; T911-E914 WeakPolarHBondContact OG1-CG 3.29Å; T911-E914 PolarHBondContact OG1-N 3.02Å; T911-E914 PolarHBondContact OG1-OE2 2.75Å; E914-Y916 VanDerWaalsContact C-N 3.35Å; E914-E917 PolarHBondContact O-N 2.99Å; E914-R918 WeakPolarHBondContact O-CB 3.27Å; E914-R918 VanDerWaalsContact O-CG 3.29Å; E914-R918 WeakPolarHBondContact O-CG 3.43Å; E914-R918 PolarHBondContact O-N 3.37Å |
| 915 | L | 64.6 | Low | 69.7 | Low | 67 Ų | 67 | 92.4 Ų | 92.4 | 35% | 0.351 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 171.1 | -72.8 | 168.2 | 0 | 0 | 0 | 110.5 | P910 T911 R913 E917 R918 D919 | P910-L915 HydrophobicContact CB-CD2 4.26Å; P910-L915 HydrophobicContact CB-CG 4.09Å; P910-L915 HydrophobicContact CG-CD1 4.25Å; P910-L915 HydrophobicContact CG-CD2 3.78Å; P910-L915 HydrophobicContact CG-CG 3.95Å; T911-L915 PolarHBondContact O-N 3.24Å; R913-L915 VanDerWaalsContact C-N 3.33Å; L915-E917 PolarHBondContact O-N 2.98Å; L915-R918 PolarHBondContact O-N 2.87Å; L915-D919 VanDerWaalsContact O-CB 3.29Å; L915-D919 WeakPolarHBondContact O-CB 3.37Å; L915-D919 PolarHBondContact O-N 3.36Å |
| 916 | Y | 67.7 | Low | 67.4 | Low | 120 Ų | 120 | 102.1 Ų | 102.1 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 175.9 | -178.9 | -91.3 | 0 | 0 | 0 | 113.2 | D912 R913 E914 D919 T920 T924 | D912-Y916 WeakPolarHBondContact O-CB 3.31Å; D912-Y916 PolarHBondContact O-N 3.48Å; R913-Y916 WeakPolarHBondContact O-CB 3.37Å; R913-Y916 PolarHBondContact O-N 2.95Å; E914-Y916 VanDerWaalsContact C-N 3.35Å; Y916-D919 PolarHBondContact O-N 3.49Å; Y916-T920 HydrophobicContact CD1-CG2 4.41Å; Y916-T920 HydrophobicContact CD2-CG2 3.97Å; Y916-T920 HydrophobicContact CE1-CG2 4.15Å; Y916-T920 HydrophobicContact CE2-CG2 3.69Å; Y916-T920 HydrophobicContact CG-CG2 4.33Å; Y916-T920 WeakPolarHBondContact O-CB 3.34Å; Y916-T920 WeakPolarHBondContact O-CG2 3.44Å; Y916-T920 PolarHBondContact O-N 2.94Å; Y916-T920 PolarHBondContact O-OG1 3.38Å; Y916-T924 HydrophobicContact CD1-CG2 3.68Å; Y916-T924 HydrophobicContact CE1-CG2 3.85Å |
| 917 | E | 65.9 | Low | 66.4 | Low | 55 Ų | 55 | 98 Ų | 98 | 26% | 0.257 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 178.9 | -70.2 | -172.9 | 160.6 | 0 | 0 | 111.9 | R913 E914 L915 G921 T924 | R913-E917 IonicContact NE-OE1 3.98Å; R913-E917 WeakPolarHBondContact O-CG 3.29Å; R913-E917 PolarHBondContact O-N 3.43Å; E914-E917 PolarHBondContact O-N 2.99Å; L915-E917 PolarHBondContact O-N 2.98Å; E917-G921 VanDerWaalsContact O-CA 3.31Å; E917-G921 WeakPolarHBondContact O-CA 3.4Å; E917-G921 PolarHBondContact O-N 2.93Å; E917-T924 HydrophobicContact CG-CG2 3.99Å; E917-T924 WeakPolarHBondContact OE1-CB 3.41Å; E917-T924 PolarHBondContact OE1-N 3.35Å; E917-T924 PolarHBondContact OE1-OG1 2.92Å |
| 918 | R | 66.9 | Low | 65.3 | Low | 136 Ų | 136 | 101.2 Ų | 101.2 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 175.1 | -74.1 | 177.9 | 179.7 | 176.7 | 3.5 | 112.2 | E903 E914 L915 | E903-R918 IonicContact OE1-CZ 2.72Å; E903-R918 IonicContact OE1-NH1 3.68Å; E903-R918 PolarHBondContact OE1-NH1 2.98Å; E903-R918 IonicContact OE1-NH2 3.43Å; E903-R918 IonicContact OE2-CZ 3.26Å; E903-R918 IonicContact OE2-NH1 2.76Å; E903-R918 PolarHBondContact OE2-NH1 2.67Å; E903-R918 IonicContact OE2-NH2 3.22Å; E903-R918 PolarHBondContact OE2-NH2 2.92Å; E914-R918 WeakPolarHBondContact O-CB 3.27Å; E914-R918 VanDerWaalsContact O-CG 3.29Å; E914-R918 WeakPolarHBondContact O-CG 3.43Å; E914-R918 PolarHBondContact O-N 3.37Å; L915-R918 PolarHBondContact O-N 2.87Å |
| 919 | D | 71.3 | Confident | 64.2 | Low | 137 Ų | 137 | 104.7 Ų | 104.7 | 73% | 0.733 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -74 | -33.9 | -178 | -72.8 | -15.3 | 0 | 0 | 0 | 112.7 | L915 Y916 | L915-D919 VanDerWaalsContact O-CB 3.29Å; L915-D919 WeakPolarHBondContact O-CB 3.37Å; L915-D919 PolarHBondContact O-N 3.36Å; Y916-D919 PolarHBondContact O-N 3.49Å |
| 920 | T | 71.9 | Confident | 63.5 | Low | 58 Ų | 58 | 101.6 Ų | 101.6 | 36% | 0.356 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -101 | -17.4 | -175.2 | 64.8 | 0 | 0 | 0 | 0 | 114.4 | Y916 K922 | Y916-T920 HydrophobicContact CD1-CG2 4.41Å; Y916-T920 HydrophobicContact CD2-CG2 3.97Å; Y916-T920 HydrophobicContact CE1-CG2 4.15Å; Y916-T920 HydrophobicContact CE2-CG2 3.69Å; Y916-T920 HydrophobicContact CG-CG2 4.33Å; Y916-T920 WeakPolarHBondContact O-CB 3.34Å; Y916-T920 WeakPolarHBondContact O-CG2 3.44Å; Y916-T920 PolarHBondContact O-N 2.94Å; Y916-T920 PolarHBondContact O-OG1 3.38Å; T920-K922 PolarHBondContact O-N 2.84Å; T920-K922 PolarHBondContact OG1-N 2.54Å |
| 921 | G | 63.5 | Low | 63.2 | Low | 71 Ų | 71 | 106.1 Ų | 106.1 | 73% | 0.732 | 55% | 0.549 | S | S | * | . | trans | 65.2 | 11.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114 | E917 | E917-G921 VanDerWaalsContact O-CA 3.31Å; E917-G921 WeakPolarHBondContact O-CA 3.4Å; E917-G921 PolarHBondContact O-N 2.93Å | ||
| 922 | K | 61.4 | Low | 63 | Low | 139 Ų | 139 | 108.1 Ų | 108.1 | 60% | 0.604 | 56% | 0.555 | S | S | * | * | trans | -104.3 | 123.8 | -178.1 | -67.4 | 178.1 | -179.9 | 176.6 | 0 | 110 | T920 T924 | T920-K922 PolarHBondContact O-N 2.84Å; T920-K922 PolarHBondContact OG1-N 2.54Å; K922-T924 PolarHBondContact O-N 3.22Å | ||
| 923 | S | 59.7 | Low | 62.9 | Low | 90 Ų | 90 | 105.5 Ų | 105.5 | 63% | 0.629 | 54% | 0.539 | S | S | * | . | trans | -61.4 | 133.3 | 168.9 | 177 | 0 | 0 | 0 | 0 | 110.1 | V925 | S923-V925 PolarHBondContact OG-N 3.06Å; S923-V925 VanDerWaalsContact OG-N 3.16Å; S923-V925 PolarHBondContact OG-O 3.16Å; S923-V925 VanDerWaalsContact OG-O 3.06Å | ||
| 924 | T | 63 | Low | 62.8 | Low | 57 Ų | 57 | 103.7 Ų | 103.7 | 35% | 0.35 | 54% | 0.543 | S | S | . | . | trans | -95.4 | -3.3 | 170.2 | 60.9 | 0 | 0 | 0 | 0 | 112.6 | R913 Y916 E917 K922 | R913-T924 VanDerWaalsContact CZ-OG1 3.3Å; R913-T924 PolarHBondContact NE-OG1 2.9Å; R913-T924 PolarHBondContact NH2-O 2.77Å; R913-T924 PolarHBondContact NH2-OG1 3.42Å; Y916-T924 HydrophobicContact CD1-CG2 3.68Å; Y916-T924 HydrophobicContact CE1-CG2 3.85Å; E917-T924 HydrophobicContact CG-CG2 3.99Å; E917-T924 WeakPolarHBondContact OE1-CB 3.41Å; E917-T924 PolarHBondContact OE1-N 3.35Å; E917-T924 PolarHBondContact OE1-OG1 2.92Å; K922-T924 PolarHBondContact O-N 3.22Å | ||
| 925 | V | 56.2 | Low | 62.8 | Low | 78 Ų | 78 | 105.4 Ų | 105.4 | 47% | 0.473 | 56% | 0.556 | S | S | . | * | trans | -87 | 111 | 170.3 | -169.6 | 0 | 0 | 0 | 0 | 107.5 | S923 | S923-V925 PolarHBondContact OG-N 3.06Å; S923-V925 VanDerWaalsContact OG-N 3.16Å; S923-V925 PolarHBondContact OG-O 3.16Å; S923-V925 VanDerWaalsContact OG-O 3.06Å | ||
| 926 | Q | 41.9 | Very low | 62.7 | Low | 257 Ų | 257 | 108.9 Ų | 108.9 | 100% | 1.201 | 57% | 0.574 | S | S | * | * | trans | -76 | 0 | 163 | -85.3 | -175.4 | -16.9 | 0 | 0 | 110.6 |
Retrieved 926 of 926 residues in 833.3 ms
(Link to these results)