| 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 | 58.9 | Low | 85.5 | Confident | 121 Ų | 121 | 64.6 Ų | 64.6 | 60% | 0.596 | 35% | 0.351 | S | S | * | . | 0 | 160.5 | 0 | -64.7 | 173.9 | -166.9 | 0 | 0 | 107 | C5 D70 | M1-C5 HydrophobicContact CB-CB 4.3Å; M1-C5 HydrophobicContact SD-CB 4.43Å; M1-D70 PolarHBondContact N-OD2 3.02Å | |||
| 2 | G | 71.9 | Confident | 85.6 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | trans | -96.1 | -175.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E4 C5 | G2-E4 VanDerWaalsContact C-CD 3.43Å; G2-E4 WeakPolarHBondContact CA-OE1 3.46Å; G2-E4 WeakPolarHBondContact CA-OE2 3.49Å; G2-E4 PolarHBondContact N-OE1 3.17Å; G2-E4 PolarHBondContact O-N 3.37Å; G2-E4 VanDerWaalsContact O-N 3.08Å; G2-C5 PolarHBondContact O-N 3.46Å | ||
| 3 | L | 83.2 | Confident | 84.8 | Confident | 68 Ų | 68 | 62 Ų | 62 | 36% | 0.356 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -58.4 | -22.5 | -179.9 | -170 | 63.8 | 0 | 0 | 0 | 112.5 | C5 Y6 V8 M34 F36 F72 | L3-C5 PolarHBondContact O-N 3.35Å; L3-Y6 PolarHBondContact O-N 3.33Å; L3-Y6 VanDerWaalsContact O-N 3.07Å; L3-V8 HydrophobicContact CD1-CG2 4.19Å; L3-M34 HydrophobicContact CD1-CE 3.44Å; L3-M34 VanDerWaalsContact CD1-CE 3.44Å; L3-F36 HydrophobicContact CD1-CE1 3.98Å; L3-F36 HydrophobicContact CD1-CZ 3.79Å; L3-F36 HydrophobicContact CD2-CE1 4.29Å; L3-F72 HydrophobicContact CB-CE2 3.69Å; L3-F72 HydrophobicContact CB-CZ 4.06Å; L3-F72 HydrophobicContact CD1-CE2 3.77Å; L3-F72 HydrophobicContact CD1-CZ 3.66Å; L3-F72 HydrophobicContact CG-CE2 4.29Å; L3-F72 HydrophobicContact CG-CZ 4.49Å |
| 4 | E | 86.6 | Confident | 84.2 | Confident | 125 Ų | 125 | 60.3 Ų | 60.3 | 58% | 0.584 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -58.3 | -24.7 | 177.5 | 66.2 | -75.1 | 169.6 | 0 | 0 | 114.4 | G2 Y6 K26 | G2-E4 VanDerWaalsContact C-CD 3.43Å; G2-E4 WeakPolarHBondContact CA-OE1 3.46Å; G2-E4 WeakPolarHBondContact CA-OE2 3.49Å; G2-E4 PolarHBondContact N-OE1 3.17Å; G2-E4 PolarHBondContact O-N 3.37Å; G2-E4 VanDerWaalsContact O-N 3.08Å; E4-Y6 VanDerWaalsContact C-N 3.26Å; E4-Y6 PolarHBondContact O-N 3.19Å; E4-K26 VanDerWaalsContact O-CD 3.31Å; E4-K26 WeakPolarHBondContact O-CD 3.44Å; E4-K26 VanDerWaalsContact O-CE 3.31Å; E4-K26 WeakPolarHBondContact O-CE 3.45Å; E4-K26 PolarHBondContact O-NZ 3.35Å |
| 5 | C | 89.9 | Confident | 82.9 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 14% | 0.142 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -78.7 | -5.6 | 177.6 | -67.3 | 0 | 0 | 0 | 0 | 113.8 | M1 G2 L3 K26 | M1-C5 HydrophobicContact CB-CB 4.3Å; M1-C5 HydrophobicContact SD-CB 4.43Å; G2-C5 PolarHBondContact O-N 3.46Å; L3-C5 PolarHBondContact O-N 3.35Å; C5-K26 WeakPolarHBondContact O-CB 3.48Å; C5-K26 PolarHBondContact O-N 2.9Å |
| 6 | Y | 92 | Very high | 81.8 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 4% | 0.035 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 150 | -173 | -61.7 | -90.7 | 0 | 0 | 0 | 112.3 | L3 E4 R24 R25 K26 V32 M34 F72 I81 | L3-Y6 PolarHBondContact O-N 3.33Å; L3-Y6 VanDerWaalsContact O-N 3.07Å; E4-Y6 VanDerWaalsContact C-N 3.26Å; E4-Y6 PolarHBondContact O-N 3.19Å; Y6-R24 CarbonylContact C-O 3.55Å; Y6-R24 WeakPolarHBondContact CA-O 3.41Å; Y6-R25 HydrophobicContact CD1-CB 4.06Å; Y6-R25 HydrophobicContact CD1-CG 4.4Å; Y6-R25 HydrophobicContact CE1-CB 3.91Å; Y6-R25 HydrophobicContact CE1-CG 4.01Å; Y6-K26 VanDerWaalsContact O-CE 3.24Å; Y6-K26 WeakPolarHBondContact O-CE 3.17Å; Y6-V32 HydrophobicContact CD1-CG2 3.88Å; Y6-V32 HydrophobicContact CE1-CG2 4.01Å; Y6-M34 HydrophobicContact CD2-CE 4.46Å; Y6-M34 HydrophobicContact CG-CE 3.94Å; Y6-M34 HydrophobicContact CG-SD 4.5Å; Y6-F72 HydrophobicContact CD2-CE1 4.33Å; Y6-F72 HydrophobicContact CE2-CE1 4.22Å; Y6-I81 HydrophobicContact CE1-CG2 3.79Å; Y6-I81 HydrophobicContact CE2-CG1 4.37Å |
| 7 | T | 92.7 | Very high | 80.9 | Confident | 61 Ų | 61 | 58 Ų | 58 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 114.5 | 168 | -51.9 | 0 | 0 | 0 | 0 | 107.8 | L9 G23 R24 | T7-L9 HydrophobicContact CG2-CD2 4.18Å; T7-G23 CarbonylContact O-C 3.48Å; T7-G23 WeakPolarHBondContact O-CA 3.18Å; T7-R24 PolarHBondContact N-O 3.23Å; T7-R24 PolarHBondContact O-N 2.8Å |
| 8 | V | 92.3 | Very high | 80.6 | Confident | 59 Ų | 59 | 54.9 Ų | 54.9 | 36% | 0.358 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 127.1 | 175.6 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | L3 F21 M34 F36 | L3-V8 HydrophobicContact CD1-CG2 4.19Å; V8-F21 HydrophobicContact CG1-CB 3.63Å; V8-F21 HydrophobicContact CG1-CD1 3.63Å; V8-F21 HydrophobicContact CG1-CD2 4.37Å; V8-F21 HydrophobicContact CG1-CE1 4.38Å; V8-F21 HydrophobicContact CG1-CG 3.62Å; V8-M34 HydrophobicContact CG2-CE 4.07Å; V8-M34 HydrophobicContact CG2-SD 4.05Å; V8-F36 HydrophobicContact CG2-CE2 4.5Å; V8-F36 HydrophobicContact CG2-CZ 3.94Å |
| 9 | L | 92.7 | Very high | 81.1 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 31% | 0.314 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -136.9 | 179.3 | -52.8 | 174.4 | 0 | 0 | 0 | 109.4 | T7 R22 R24 I31 | T7-L9 HydrophobicContact CG2-CD2 4.18Å; L9-R22 WeakPolarHBondContact CA-O 3.48Å; L9-R22 HydrophobicContact CB-CB 4.23Å; L9-R22 WeakPolarHBondContact CB-O 3.17Å; L9-R22 HydrophobicContact CD1-CG 4.13Å; L9-R22 PolarHBondContact N-O 3.13Å; L9-R24 HydrophobicContact CD1-CB 4.33Å; L9-I31 HydrophobicContact CD1-CD1 4.43Å |
| 10 | E | 90.3 | Very high | 81.5 | Confident | 109 Ų | 109 | 54.4 Ų | 54.4 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 149.5 | -178.3 | 67.1 | -141.8 | 152.5 | 0 | 0 | 113.4 | I12 F21 R22 | E10-I12 HydrophobicContact CG-CG2 4.07Å; E10-I12 PolarHBondContact O-N 2.85Å; E10-F21 CarbonylContact O-C 3.32Å; E10-F21 WeakPolarHBondContact O-CA 3.19Å; E10-R22 HydrophobicContact CG-CB 4.24Å; E10-R22 PolarHBondContact O-N 2.99Å; E10-R22 VanDerWaalsContact OE1-CD 3.3Å; E10-R22 WeakPolarHBondContact OE1-CD 3.3Å; E10-R22 IonicContact OE1-CZ 3.07Å; E10-R22 IonicContact OE1-NH1 3.83Å; E10-R22 PolarHBondContact OE1-NH1 2.77Å |
| 11 | C | 89.6 | Confident | 82 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 118.4 | 171.7 | -170.7 | 0 | 0 | 0 | 0 | 108.8 | G13 V20 F21 | C11-G13 PolarHBondContact SG-O 3.24Å; C11-V20 CarbonylContact C-O 3.58Å; C11-F21 HydrophobicContact CB-CD1 3.87Å; C11-F21 HydrophobicContact CB-CE1 3.64Å; C11-F21 HydrophobicContact CB-CZ 4.15Å |
| 12 | I | 86.7 | Confident | 83.7 | Confident | 72 Ų | 72 | 51.4 Ų | 51.4 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -20.7 | -177 | 58.6 | 176.8 | 0 | 0 | 0 | 112.7 | E10 V20 R22 A33 Y84 | E10-I12 HydrophobicContact CG-CG2 4.07Å; E10-I12 PolarHBondContact O-N 2.85Å; I12-V20 HydrophobicContact CD1-CG1 3.8Å; I12-V20 HydrophobicContact CG1-CB 4.06Å; I12-V20 HydrophobicContact CG1-CG1 3.75Å; I12-V20 WeakPolarHBondContact CG1-O 3.4Å; I12-V20 PolarHBondContact N-O 3.15Å; I12-R22 HydrophobicContact CG2-CB 3.86Å; I12-A33 HydrophobicContact CD1-CB 4.26Å; I12-Y84 HydrophobicContact CD1-CD2 3.9Å; I12-Y84 HydrophobicContact CD1-CE2 3.64Å; I12-Y84 HydrophobicContact CG2-CE2 4.35Å |
| 13 | G | 75.7 | Confident | 84.7 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 24% | 0.237 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 143.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | C11 V20 | C11-G13 PolarHBondContact SG-O 3.24Å; G13-V20 PolarHBondContact N-O 2.7Å; G13-V20 VanDerWaalsContact N-O 3.16Å; G13-V20 PolarHBondContact O-N 3.04Å |
| 14 | E | 76.8 | Confident | 85.2 | Confident | 38 Ų | 38 | 53.2 Ų | 53.2 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 124.5 | 168.2 | 165.2 | -179.9 | -177.7 | 0 | 0 | 106.1 | R19 P549 R570 | E14-R19 HydrophobicContact CB-CG 4.06Å; E14-R19 HydrophobicContact CG-CG 3.88Å; E14-P549 HydrophobicContact CG-CG 4.25Å; E14-P549 WeakPolarHBondContact OE1-CD 3Å; E14-P549 WeakPolarHBondContact OE1-CG 3.44Å; E14-R570 VanDerWaalsContact CB-NH1 3.33Å; E14-R570 PolarHBondContact O-NH1 3.16Å; E14-R570 WeakPolarHBondContact OE2-CD 3.5Å |
| 15 | G | 64.7 | Low | 85.5 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 25% | 0.247 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | -176.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | F17 G18 | G15-F17 PolarHBondContact O-N 3.16Å; G15-G18 PolarHBondContact N-O 3.02Å; G15-G18 PolarHBondContact O-N 3.3Å |
| 16 | S | 64.2 | Low | 85.5 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -37.9 | -172.7 | 79.7 | 0 | 0 | 0 | 0 | 110 | G18 E547 | S16-G18 PolarHBondContact O-N 3.2Å; S16-G18 VanDerWaalsContact O-N 3.11Å; S16-E547 VanDerWaalsContact CA-CA 3.46Å; S16-E547 WeakPolarHBondContact CA-OE2 3.36Å; S16-E547 VanDerWaalsContact CB-CD 3.43Å; S16-E547 WeakPolarHBondContact CB-OE2 3.18Å; S16-E547 WeakPolarHBondContact O-CB 3.42Å; S16-E547 WeakPolarHBondContact O-CG 3.32Å; S16-E547 PolarHBondContact OG-OE2 3.09Å |
| 17 | F | 66.7 | Low | 85.3 | Confident | 93 Ų | 93 | 60.7 Ų | 60.7 | 41% | 0.408 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 4.9 | 178.2 | -56.2 | -77.1 | 0 | 0 | 0 | 113.9 | G15 I37 E547 | G15-F17 PolarHBondContact O-N 3.16Å; F17-I37 VanDerWaalsContact O-CG1 3.27Å; F17-I37 WeakPolarHBondContact O-CG1 3.49Å; F17-I37 VanDerWaalsContact O-CG2 3.29Å; F17-I37 WeakPolarHBondContact O-CG2 3.49Å; F17-E547 PolarHBondContact N-OE2 2.99Å |
| 18 | G | 76.8 | Confident | 85.2 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 123.2 | -164.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G15 S16 F36 | G15-G18 PolarHBondContact N-O 3.02Å; G15-G18 PolarHBondContact O-N 3.3Å; S16-G18 PolarHBondContact O-N 3.2Å; S16-G18 VanDerWaalsContact O-N 3.11Å; G18-F36 CarbonylContact C-O 3.45Å; G18-F36 WeakPolarHBondContact CA-O 3.44Å |
| 19 | R | 88.6 | Confident | 85.1 | Confident | 64 Ų | 64 | 60.8 Ų | 60.8 | 24% | 0.242 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132 | -175.8 | -67 | 178.1 | -69.9 | -169.3 | -4 | 111 | E14 F21 K35 F36 E77 P549 | E14-R19 HydrophobicContact CB-CG 4.06Å; E14-R19 HydrophobicContact CG-CG 3.88Å; R19-F21 HydrophobicContact CB-CD2 4.18Å; R19-F21 HydrophobicContact CB-CE2 3.55Å; R19-F21 HydrophobicContact CB-CZ 4.34Å; R19-F21 HydrophobicContact CG-CE2 4.5Å; R19-K35 CarbonylContact O-C 3.49Å; R19-K35 WeakPolarHBondContact O-CA 3.46Å; R19-F36 PolarHBondContact N-O 3.29Å; R19-F36 PolarHBondContact O-N 3.29Å; R19-E77 IonicContact NH2-OE1 3.38Å; R19-P549 HydrophobicContact CG-CB 3.99Å; R19-P549 HydrophobicContact CG-CG 3.79Å |
| 20 | V | 89.7 | Confident | 85 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 21% | 0.212 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 121.1 | 174.6 | -168.4 | 0 | 0 | 0 | 0 | 108.4 | C11 I12 G13 A33 M34 K35 | C11-V20 CarbonylContact C-O 3.58Å; I12-V20 HydrophobicContact CD1-CG1 3.8Å; I12-V20 HydrophobicContact CG1-CB 4.06Å; I12-V20 HydrophobicContact CG1-CG1 3.75Å; I12-V20 WeakPolarHBondContact CG1-O 3.4Å; I12-V20 PolarHBondContact N-O 3.15Å; G13-V20 PolarHBondContact N-O 2.7Å; G13-V20 VanDerWaalsContact N-O 3.16Å; G13-V20 PolarHBondContact O-N 3.04Å; V20-A33 HydrophobicContact CG1-CB 4.06Å; V20-M34 CarbonylContact C-O 3.36Å; V20-M34 WeakPolarHBondContact CA-O 3.3Å; V20-K35 HydrophobicContact CG2-CB 4.11Å; V20-K35 HydrophobicContact CG2-CD 4.37Å; V20-K35 HydrophobicContact CG2-CG 3.97Å |
| 21 | F | 92.4 | Very high | 85.2 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 17% | 0.167 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 145.4 | 174 | -68.7 | -98.6 | 0 | 0 | 0 | 110 | V8 E10 C11 R19 A33 M34 F36 | V8-F21 HydrophobicContact CG1-CB 3.63Å; V8-F21 HydrophobicContact CG1-CD1 3.63Å; V8-F21 HydrophobicContact CG1-CD2 4.37Å; V8-F21 HydrophobicContact CG1-CE1 4.38Å; V8-F21 HydrophobicContact CG1-CG 3.62Å; E10-F21 CarbonylContact O-C 3.32Å; E10-F21 WeakPolarHBondContact O-CA 3.19Å; C11-F21 HydrophobicContact CB-CD1 3.87Å; C11-F21 HydrophobicContact CB-CE1 3.64Å; C11-F21 HydrophobicContact CB-CZ 4.15Å; R19-F21 HydrophobicContact CB-CD2 4.18Å; R19-F21 HydrophobicContact CB-CE2 3.55Å; R19-F21 HydrophobicContact CB-CZ 4.34Å; R19-F21 HydrophobicContact CG-CE2 4.5Å; F21-A33 CarbonylContact O-C 3.59Å; F21-M34 PolarHBondContact N-O 3.08Å; F21-M34 PolarHBondContact O-N 3.03Å; F21-F36 HydrophobicContact CB-CE2 4.36Å; F21-F36 AromaticContact CD2-CD2 3.6Å; F21-F36 HydrophobicContact CD2-CD2 3.6Å; F21-F36 AromaticContact CD2-CE2 3.76Å; F21-F36 HydrophobicContact CD2-CE2 3.76Å; F21-F36 HydrophobicContact CE2-CD2 4.13Å; F21-F36 HydrophobicContact CE2-CE2 4.49Å; F21-F36 HydrophobicContact CG-CE2 4.36Å |
| 22 | R | 93.5 | Very high | 85.4 | Confident | 74 Ų | 74 | 55.8 Ų | 55.8 | 28% | 0.279 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 133.8 | 160.7 | -168.8 | -178.3 | -179.1 | -168 | 4.9 | 107.9 | L9 E10 I12 I31 Y84 | L9-R22 WeakPolarHBondContact CA-O 3.48Å; L9-R22 HydrophobicContact CB-CB 4.23Å; L9-R22 WeakPolarHBondContact CB-O 3.17Å; L9-R22 HydrophobicContact CD1-CG 4.13Å; L9-R22 PolarHBondContact N-O 3.13Å; E10-R22 HydrophobicContact CG-CB 4.24Å; E10-R22 PolarHBondContact O-N 2.99Å; E10-R22 VanDerWaalsContact OE1-CD 3.3Å; E10-R22 WeakPolarHBondContact OE1-CD 3.3Å; E10-R22 IonicContact OE1-CZ 3.07Å; E10-R22 IonicContact OE1-NH1 3.83Å; E10-R22 PolarHBondContact OE1-NH1 2.77Å; I12-R22 HydrophobicContact CG2-CB 3.86Å; R22-I31 HydrophobicContact CG-CG2 3.81Å; R22-Y84 HydrophobicContact CB-CE2 4.31Å; R22-Y84 HydrophobicContact CG-CD2 4.07Å; R22-Y84 HydrophobicContact CG-CE2 3.9Å |
| 23 | G | 93.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 158.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T7 I31 V32 M34 | T7-G23 CarbonylContact O-C 3.48Å; T7-G23 WeakPolarHBondContact O-CA 3.18Å; G23-I31 WeakPolarHBondContact O-CA 3.25Å; G23-V32 PolarHBondContact N-O 2.88Å; G23-V32 PolarHBondContact O-N 2.98Å; G23-M34 VanDerWaalsContact CA-SD 3.55Å |
| 24 | R | 94.5 | Very high | 86.5 | Confident | 123 Ų | 123 | 51.7 Ų | 51.7 | 46% | 0.464 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.1 | 168.8 | -175.1 | -178.9 | -63.7 | 173.3 | 1.8 | 109.7 | Y6 T7 L9 K26 Q30 I31 | Y6-R24 CarbonylContact C-O 3.55Å; Y6-R24 WeakPolarHBondContact CA-O 3.41Å; T7-R24 PolarHBondContact N-O 3.23Å; T7-R24 PolarHBondContact O-N 2.8Å; L9-R24 HydrophobicContact CD1-CB 4.33Å; R24-K26 PolarHBondContact O-N 3.27Å; R24-Q30 WeakPolarHBondContact CA-O 3.41Å; R24-I31 HydrophobicContact CB-CD1 4.17Å; R24-I31 HydrophobicContact CG-CD1 4.23Å |
| 25 | R | 93.1 | Very high | 87.2 | Confident | 56 Ų | 56 | 52.1 Ų | 52.1 | 21% | 0.211 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 123.8 | 171.8 | -171.7 | 170.4 | 175.5 | -177.1 | -1.1 | 109 | Y6 E27 G29 Q30 | Y6-R25 HydrophobicContact CD1-CB 4.06Å; Y6-R25 HydrophobicContact CD1-CG 4.4Å; Y6-R25 HydrophobicContact CE1-CB 3.91Å; Y6-R25 HydrophobicContact CE1-CG 4.01Å; R25-E27 VanDerWaalsContact C-N 3.35Å; R25-E27 IonicContact NE-OE2 3.86Å; R25-E27 IonicContact NH2-OE2 2.79Å; R25-E27 PolarHBondContact NH2-OE2 3.46Å; R25-E27 PolarHBondContact O-N 3.42Å; R25-G29 VanDerWaalsContact O-CA 3.31Å; R25-G29 WeakPolarHBondContact O-CA 3.27Å; R25-G29 PolarHBondContact O-N 3.21Å; R25-Q30 HydrophobicContact CB-CB 4.45Å; R25-Q30 PolarHBondContact N-O 2.92Å |
| 26 | K | 89.9 | Confident | 88.4 | Confident | 124 Ų | 124 | 51.8 Ų | 51.8 | 54% | 0.539 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -37.7 | -171.3 | -70.8 | -178.2 | -175 | 165.8 | 0 | 112.8 | E4 C5 Y6 R24 | E4-K26 VanDerWaalsContact O-CD 3.31Å; E4-K26 WeakPolarHBondContact O-CD 3.44Å; E4-K26 VanDerWaalsContact O-CE 3.31Å; E4-K26 WeakPolarHBondContact O-CE 3.45Å; E4-K26 PolarHBondContact O-NZ 3.35Å; C5-K26 WeakPolarHBondContact O-CB 3.48Å; C5-K26 PolarHBondContact O-N 2.9Å; Y6-K26 VanDerWaalsContact O-CE 3.24Å; Y6-K26 WeakPolarHBondContact O-CE 3.17Å; R24-K26 PolarHBondContact O-N 3.27Å |
| 27 | E | 88.1 | Confident | 89.6 | Confident | 132 Ų | 132 | 50.8 Ų | 50.8 | 62% | 0.617 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73 | -43.9 | -177 | -63.1 | 174.6 | 160.5 | 0 | 0 | 112.9 | R25 | R25-E27 VanDerWaalsContact C-N 3.35Å; R25-E27 IonicContact NE-OE2 3.86Å; R25-E27 IonicContact NH2-OE2 2.79Å; R25-E27 PolarHBondContact NH2-OE2 3.46Å; R25-E27 PolarHBondContact O-N 3.42Å |
| 28 | T | 91 | Very high | 90.5 | Very high | 82 Ų | 82 | 47 Ų | 47 | 50% | 0.503 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -16.3 | -171.5 | 62.4 | 0 | 0 | 0 | 0 | 113.6 | Q30 | T28-Q30 PolarHBondContact O-N 3.39Å; T28-Q30 VanDerWaalsContact OG1-CB 3.25Å; T28-Q30 WeakPolarHBondContact OG1-CB 3.34Å; T28-Q30 PolarHBondContact OG1-N 3.09Å |
| 29 | G | 88.9 | Confident | 90.9 | Very high | 40 Ų | 40 | 48.6 Ų | 48.6 | 41% | 0.412 | 23% | 0.232 | S | C | . | . | trans | 72.1 | 1.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R25 I31 | R25-G29 VanDerWaalsContact O-CA 3.31Å; R25-G29 WeakPolarHBondContact O-CA 3.27Å; R25-G29 PolarHBondContact O-N 3.21Å; G29-I31 PolarHBondContact O-N 2.8Å | ||
| 30 | Q | 91.7 | Very high | 90.5 | Very high | 81 Ų | 81 | 50 Ų | 50 | 38% | 0.379 | 25% | 0.247 | S | C | . | . | trans | -62.5 | 132.7 | -178.8 | -174 | 179.9 | 11.3 | 0 | 0 | 111 | R24 R25 T28 V32 Q69 | R24-Q30 WeakPolarHBondContact CA-O 3.41Å; R25-Q30 HydrophobicContact CB-CB 4.45Å; R25-Q30 PolarHBondContact N-O 2.92Å; T28-Q30 PolarHBondContact O-N 3.39Å; T28-Q30 VanDerWaalsContact OG1-CB 3.25Å; T28-Q30 WeakPolarHBondContact OG1-CB 3.34Å; T28-Q30 PolarHBondContact OG1-N 3.09Å; Q30-V32 HydrophobicContact CG-CG1 4.43Å; Q30-Q69 VanDerWaalsContact NE2-NE2 3.12Å | ||
| 31 | I | 93.7 | Very high | 89.8 | Confident | 45 Ų | 45 | 52.3 Ų | 52.3 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 132.9 | 173 | -57.6 | -59.2 | 0 | 0 | 0 | 108.9 | L9 R22 G23 R24 G29 Y84 | L9-I31 HydrophobicContact CD1-CD1 4.43Å; R22-I31 HydrophobicContact CG-CG2 3.81Å; G23-I31 WeakPolarHBondContact O-CA 3.25Å; R24-I31 HydrophobicContact CB-CD1 4.17Å; R24-I31 HydrophobicContact CG-CD1 4.23Å; G29-I31 PolarHBondContact O-N 2.8Å; I31-Y84 HydrophobicContact CG2-CD1 3.94Å; I31-Y84 HydrophobicContact CG2-CD2 4.28Å; I31-Y84 HydrophobicContact CG2-CG 3.75Å |
| 32 | V | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 162.2 | -178 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | Y6 G23 Q30 M34 I81 T82 | Y6-V32 HydrophobicContact CD1-CG2 3.88Å; Y6-V32 HydrophobicContact CE1-CG2 4.01Å; G23-V32 PolarHBondContact N-O 2.88Å; G23-V32 PolarHBondContact O-N 2.98Å; Q30-V32 HydrophobicContact CG-CG1 4.43Å; V32-M34 HydrophobicContact CG2-CG 3.94Å; V32-I81 HydrophobicContact CB-CG2 3.81Å; V32-I81 HydrophobicContact CG1-CG2 4.1Å; V32-I81 HydrophobicContact CG2-CG2 3.85Å; V32-T82 WeakPolarHBondContact CA-O 3.36Å; V32-T82 WeakPolarHBondContact CB-O 3.42Å |
| 33 | A | 92.9 | Very high | 88.3 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 132.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | I12 V20 F21 I81 T82 | I12-A33 HydrophobicContact CD1-CB 4.26Å; V20-A33 HydrophobicContact CG1-CB 4.06Å; F21-A33 CarbonylContact O-C 3.59Å; A33-I81 WeakPolarHBondContact O-CA 3.4Å; A33-T82 PolarHBondContact N-O 2.9Å; A33-T82 PolarHBondContact O-N 3.43Å |
| 34 | M | 92.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 101.8 | -175 | -52.6 | -177.7 | 68.4 | 0 | 0 | 109.2 | L3 Y6 V8 V20 F21 G23 V32 F36 F72 A80 I81 | L3-M34 HydrophobicContact CD1-CE 3.44Å; L3-M34 VanDerWaalsContact CD1-CE 3.44Å; Y6-M34 HydrophobicContact CD2-CE 4.46Å; Y6-M34 HydrophobicContact CG-CE 3.94Å; Y6-M34 HydrophobicContact CG-SD 4.5Å; V8-M34 HydrophobicContact CG2-CE 4.07Å; V8-M34 HydrophobicContact CG2-SD 4.05Å; V20-M34 CarbonylContact C-O 3.36Å; V20-M34 WeakPolarHBondContact CA-O 3.3Å; F21-M34 PolarHBondContact N-O 3.08Å; F21-M34 PolarHBondContact O-N 3.03Å; G23-M34 VanDerWaalsContact CA-SD 3.55Å; V32-M34 HydrophobicContact CG2-CG 3.94Å; M34-F36 HydrophobicContact CB-CD2 4.33Å; M34-F36 HydrophobicContact CB-CE2 3.65Å; M34-F36 HydrophobicContact CB-CZ 4.43Å; M34-F36 HydrophobicContact CE-CE2 4.41Å; M34-F36 HydrophobicContact CE-CZ 4.08Å; M34-F36 WeakPolarHBondContact O-CD2 2.96Å; M34-F72 HydrophobicContact CE-CZ 4.37Å; M34-A80 CarbonylContact C-O 3.53Å; M34-A80 WeakPolarHBondContact CA-O 3.16Å; M34-I81 HydrophobicContact CB-CD1 3.88Å; M34-I81 HydrophobicContact CE-CD1 3.56Å; M34-I81 HydrophobicContact CG-CD1 3.62Å; M34-I81 HydrophobicContact SD-CD1 4.35Å |
| 35 | K | 90.7 | Very high | 86.5 | Confident | 46 Ų | 46 | 55 Ų | 55 | 20% | 0.2 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 110.4 | 179.5 | -174.9 | 175.4 | -178.8 | -176.8 | 0 | 110.1 | R19 V20 I37 V79 A80 | R19-K35 CarbonylContact O-C 3.49Å; R19-K35 WeakPolarHBondContact O-CA 3.46Å; V20-K35 HydrophobicContact CG2-CB 4.11Å; V20-K35 HydrophobicContact CG2-CD 4.37Å; V20-K35 HydrophobicContact CG2-CG 3.97Å; K35-I37 HydrophobicContact CD-CD1 4.26Å; K35-I37 HydrophobicContact CD-CG1 4.49Å; K35-I37 HydrophobicContact CG-CD1 4.21Å; K35-I37 HydrophobicContact CG-CG1 3.96Å; K35-V79 CarbonylContact O-C 3.6Å; K35-V79 VanDerWaalsContact O-CA 3.32Å; K35-V79 WeakPolarHBondContact O-CA 3.35Å; K35-A80 HydrophobicContact CB-CB 4.37Å; K35-A80 PolarHBondContact N-O 2.96Å; K35-A80 PolarHBondContact O-N 3.32Å |
| 36 | F | 90.6 | Very high | 85.7 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 116.1 | 177.4 | -66.9 | -104.4 | 0 | 0 | 0 | 110 | L3 V8 G18 R19 F21 M34 V79 | L3-F36 HydrophobicContact CD1-CE1 3.98Å; L3-F36 HydrophobicContact CD1-CZ 3.79Å; L3-F36 HydrophobicContact CD2-CE1 4.29Å; V8-F36 HydrophobicContact CG2-CE2 4.5Å; V8-F36 HydrophobicContact CG2-CZ 3.94Å; G18-F36 CarbonylContact C-O 3.45Å; G18-F36 WeakPolarHBondContact CA-O 3.44Å; R19-F36 PolarHBondContact N-O 3.29Å; R19-F36 PolarHBondContact O-N 3.29Å; F21-F36 HydrophobicContact CB-CE2 4.36Å; F21-F36 AromaticContact CD2-CD2 3.6Å; F21-F36 HydrophobicContact CD2-CD2 3.6Å; F21-F36 AromaticContact CD2-CE2 3.76Å; F21-F36 HydrophobicContact CD2-CE2 3.76Å; F21-F36 HydrophobicContact CE2-CD2 4.13Å; F21-F36 HydrophobicContact CE2-CE2 4.49Å; F21-F36 HydrophobicContact CG-CE2 4.36Å; M34-F36 HydrophobicContact CB-CD2 4.33Å; M34-F36 HydrophobicContact CB-CE2 3.65Å; M34-F36 HydrophobicContact CB-CZ 4.43Å; M34-F36 HydrophobicContact CE-CE2 4.41Å; M34-F36 HydrophobicContact CE-CZ 4.08Å; M34-F36 WeakPolarHBondContact O-CD2 2.96Å; F36-V79 HydrophobicContact CD1-CB 4.43Å; F36-V79 HydrophobicContact CD1-CG1 4.12Å; F36-V79 HydrophobicContact CD1-CG2 3.49Å; F36-V79 VanDerWaalsContact CD1-CG2 3.49Å; F36-V79 HydrophobicContact CD2-CG1 4.32Å; F36-V79 HydrophobicContact CE1-CG1 3.98Å; F36-V79 HydrophobicContact CE1-CG2 3.7Å; F36-V79 HydrophobicContact CE2-CG1 4.2Å; F36-V79 HydrophobicContact CG-CG1 4.28Å; F36-V79 HydrophobicContact CG-CG2 4.2Å; F36-V79 HydrophobicContact CZ-CG1 4.03Å |
| 37 | I | 88.7 | Confident | 85.3 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 113 | -171.6 | -50.3 | 178.7 | 0 | 0 | 0 | 108.7 | F17 K35 L50 E77 V78 | F17-I37 VanDerWaalsContact O-CG1 3.27Å; F17-I37 WeakPolarHBondContact O-CG1 3.49Å; F17-I37 VanDerWaalsContact O-CG2 3.29Å; F17-I37 WeakPolarHBondContact O-CG2 3.49Å; K35-I37 HydrophobicContact CD-CD1 4.26Å; K35-I37 HydrophobicContact CD-CG1 4.49Å; K35-I37 HydrophobicContact CG-CD1 4.21Å; K35-I37 HydrophobicContact CG-CG1 3.96Å; I37-L50 HydrophobicContact CB-CD2 4.17Å; I37-L50 HydrophobicContact CD1-CD1 3.43Å; I37-L50 VanDerWaalsContact CD1-CD1 3.43Å; I37-L50 HydrophobicContact CD1-CD2 4Å; I37-L50 HydrophobicContact CD1-CG 4.33Å; I37-L50 HydrophobicContact CG2-CD2 3.66Å; I37-E77 CarbonylContact O-C 3.53Å; I37-E77 VanDerWaalsContact O-CA 3.22Å; I37-E77 WeakPolarHBondContact O-CA 3.49Å; I37-V78 HydrophobicContact CB-CB 4.4Å; I37-V78 WeakPolarHBondContact CB-O 3.45Å; I37-V78 PolarHBondContact N-O 3.48Å; I37-V78 PolarHBondContact O-N 2.89Å |
| 38 | P | 87.1 | Confident | 85 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 8% | 0.078 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 138.4 | -178.6 | 26.4 | -32.4 | 0 | 0 | 0 | 111.6 | ||
| 39 | K | 84.6 | Confident | 84.5 | Confident | 37 Ų | 37 | 48.6 Ų | 48.6 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | trans | -84.1 | -32.1 | 172.4 | -61.6 | -175.3 | -168.8 | 178.1 | 0 | 112.6 | G41 K42 L47 E73 T74 R76 V78 | K39-G41 PolarHBondContact O-N 3.41Å; K39-K42 PolarHBondContact O-N 3.18Å; K39-L47 HydrophobicContact CB-CD2 4.29Å; K39-L47 HydrophobicContact CG-CD2 4.13Å; K39-E73 WeakPolarHBondContact CE-OE1 3.35Å; K39-E73 VanDerWaalsContact NZ-CD 3.27Å; K39-E73 IonicContact NZ-OE1 3.05Å; K39-E73 PolarHBondContact NZ-OE1 3.25Å; K39-T74 WeakPolarHBondContact CE-O 3.22Å; K39-T74 PolarHBondContact NZ-O 3.02Å; K39-R76 WeakPolarHBondContact CB-O 3.25Å; K39-R76 PolarHBondContact N-O 2.95Å; K39-V78 HydrophobicContact CG-CG2 4.31Å | ||
| 40 | V | 79.8 | Confident | 84.2 | Confident | 93 Ų | 93 | 47.5 Ų | 47.5 | 56% | 0.564 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 126.4 | -178.1 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | K42 | V40-K42 VanDerWaalsContact C-N 3.34Š|
| 41 | G | 75.2 | Confident | 83.9 | Confident | 84 Ų | 84 | 49.1 Ų | 49.1 | 87% | 0.866 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | -11.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | K39 | K39-G41 PolarHBondContact O-N 3.41Š|
| 42 | K | 76.3 | Confident | 83.5 | Confident | 41 Ų | 41 | 50.8 Ų | 50.8 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | trans | -84.9 | 133.6 | 173.9 | -61.4 | -141.8 | -174 | -130.3 | 0 | 110.3 | K39 V40 A46 L47 E547 | K39-K42 PolarHBondContact O-N 3.18Å; V40-K42 VanDerWaalsContact C-N 3.34Å; K42-A46 HydrophobicContact CB-CB 4.09Å; K42-A46 HydrophobicContact CD-CB 4.4Å; K42-L47 HydrophobicContact CB-CD2 4.28Å; K42-L47 HydrophobicContact CB-CG 4.25Å; K42-E547 IonicContact NZ-OE1 2.71Å; K42-E547 PolarHBondContact NZ-OE1 3.42Å | ||
| 43 | S | 77.8 | Confident | 83.2 | Confident | 67 Ų | 67 | 52 Ų | 52 | 47% | 0.469 | 29% | 0.29 | S | S | . | . | trans | -66.4 | 159.5 | 174.8 | 67.2 | 0 | 0 | 0 | 0 | 111.2 | N45 A46 L47 | S43-N45 PolarHBondContact O-N 3.48Å; S43-A46 WeakPolarHBondContact O-CB 3.31Å; S43-A46 PolarHBondContact O-N 2.77Å; S43-A46 PolarHBondContact OG-N 3.36Å; S43-L47 PolarHBondContact O-N 3.08Å | ||
| 44 | E | 76.9 | Confident | 83 | Confident | 134 Ų | 134 | 52.3 Ų | 52.3 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -56.5 | -34.2 | 176.8 | -158.4 | -168.7 | 142.6 | 0 | 0 | 112 | L47 K48 | E44-L47 PolarHBondContact O-N 2.96Å; E44-K48 WeakPolarHBondContact O-CG 3.44Å; E44-K48 PolarHBondContact O-N 2.94Å; E44-K48 VanDerWaalsContact OE1-CE 3.23Å; E44-K48 WeakPolarHBondContact OE1-CE 3.41Å; E44-K48 IonicContact OE1-NZ 3.34Å; E44-K48 PolarHBondContact OE1-NZ 3.49Å |
| 45 | N | 73.2 | Confident | 82.8 | Confident | 50 Ų | 50 | 58.6 Ų | 58.6 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 174.3 | -75.4 | -14 | 0 | 0 | 0 | 113 | S43 L47 K48 N49 | S43-N45 PolarHBondContact O-N 3.48Å; N45-L47 VanDerWaalsContact C-N 3.33Å; N45-K48 PolarHBondContact O-N 3.29Å; N45-N49 WeakPolarHBondContact O-CB 3.19Å; N45-N49 VanDerWaalsContact O-CG 3.3Å; N45-N49 PolarHBondContact O-N 2.85Å; N45-N49 PolarHBondContact O-ND2 3.32Å |
| 46 | A | 75.6 | Confident | 82.7 | Confident | 33 Ų | 33 | 57 Ų | 57 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K42 S43 N49 L50 | K42-A46 HydrophobicContact CB-CB 4.09Å; K42-A46 HydrophobicContact CD-CB 4.4Å; S43-A46 WeakPolarHBondContact O-CB 3.31Å; S43-A46 PolarHBondContact O-N 2.77Å; S43-A46 PolarHBondContact OG-N 3.36Å; A46-N49 PolarHBondContact O-N 2.76Å; A46-L50 WeakPolarHBondContact O-CB 3.22Å; A46-L50 PolarHBondContact O-N 3.35Å |
| 47 | L | 81.8 | Confident | 82.7 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 173.7 | -67.7 | 173.6 | 0 | 0 | 0 | 112.4 | K39 K42 S43 E44 N45 L50 K51 | K39-L47 HydrophobicContact CB-CD2 4.29Å; K39-L47 HydrophobicContact CG-CD2 4.13Å; K42-L47 HydrophobicContact CB-CD2 4.28Å; K42-L47 HydrophobicContact CB-CG 4.25Å; S43-L47 PolarHBondContact O-N 3.08Å; E44-L47 PolarHBondContact O-N 2.96Å; N45-L47 VanDerWaalsContact C-N 3.33Å; L47-L50 PolarHBondContact O-N 2.79Å; L47-K51 WeakPolarHBondContact O-CG 2.89Å; L47-K51 PolarHBondContact O-N 3.21Å |
| 48 | K | 83.4 | Confident | 82.7 | Confident | 103 Ų | 103 | 62.3 Ų | 62.3 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 172.7 | -76.4 | 172.5 | -175 | 163.9 | 0 | 111.9 | E44 N45 L50 K51 L52 | E44-K48 WeakPolarHBondContact O-CG 3.44Å; E44-K48 PolarHBondContact O-N 2.94Å; E44-K48 VanDerWaalsContact OE1-CE 3.23Å; E44-K48 WeakPolarHBondContact OE1-CE 3.41Å; E44-K48 IonicContact OE1-NZ 3.34Å; E44-K48 PolarHBondContact OE1-NZ 3.49Å; N45-K48 PolarHBondContact O-N 3.29Å; K48-L50 VanDerWaalsContact C-N 3.35Å; K48-L50 PolarHBondContact O-N 3.47Å; K48-K51 PolarHBondContact O-N 2.74Å; K48-L52 PolarHBondContact O-N 3.43Å |
| 49 | N | 80.2 | Confident | 82.7 | Confident | 80 Ų | 80 | 65 Ų | 65 | 43% | 0.428 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 176.5 | -71.9 | -20.9 | 0 | 0 | 0 | 112 | N45 A46 L52 E53 | N45-N49 WeakPolarHBondContact O-CB 3.19Å; N45-N49 VanDerWaalsContact O-CG 3.3Å; N45-N49 PolarHBondContact O-N 2.85Å; N45-N49 PolarHBondContact O-ND2 3.32Å; A46-N49 PolarHBondContact O-N 2.76Å; N49-L52 WeakPolarHBondContact O-CB 3.05Å; N49-L52 PolarHBondContact O-N 2.82Å; N49-E53 PolarHBondContact O-N 2.92Å |
| 50 | L | 82.7 | Confident | 83 | Confident | 17 Ų | 17 | 63.3 Ų | 63.3 | 9% | 0.089 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 175.1 | 178.6 | 62.4 | 0 | 0 | 0 | 112.3 | I37 A46 L47 K48 L52 E53 I54 V78 | I37-L50 HydrophobicContact CB-CD2 4.17Å; I37-L50 HydrophobicContact CD1-CD1 3.43Å; I37-L50 VanDerWaalsContact CD1-CD1 3.43Å; I37-L50 HydrophobicContact CD1-CD2 4Å; I37-L50 HydrophobicContact CD1-CG 4.33Å; I37-L50 HydrophobicContact CG2-CD2 3.66Å; A46-L50 WeakPolarHBondContact O-CB 3.22Å; A46-L50 PolarHBondContact O-N 3.35Å; L47-L50 PolarHBondContact O-N 2.79Å; K48-L50 VanDerWaalsContact C-N 3.35Å; K48-L50 PolarHBondContact O-N 3.47Å; L50-L52 VanDerWaalsContact C-N 3.33Å; L50-E53 PolarHBondContact O-N 2.74Å; L50-I54 HydrophobicContact CD1-CD1 4.33Å; L50-I54 HydrophobicContact CG-CD1 4.18Å; L50-I54 WeakPolarHBondContact O-CG1 3.36Å; L50-I54 PolarHBondContact O-N 3.2Å; L50-V78 HydrophobicContact CD2-CB 3.97Å; L50-V78 HydrophobicContact CD2-CG1 4.19Å; L50-V78 HydrophobicContact CD2-CG2 4.02Å |
| 51 | K | 85.3 | Confident | 83.5 | Confident | 114 Ų | 114 | 64.3 Ų | 64.3 | 50% | 0.496 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 174.5 | -74.2 | -178 | 179.2 | -169.4 | 0 | 111.7 | L47 K48 I54 E55 E73 | L47-K51 WeakPolarHBondContact O-CG 2.89Å; L47-K51 PolarHBondContact O-N 3.21Å; K48-K51 PolarHBondContact O-N 2.74Å; K51-I54 PolarHBondContact O-N 3.45Å; K51-E55 WeakPolarHBondContact O-CB 3.43Å; K51-E55 PolarHBondContact O-N 3.31Å; K51-E73 IonicContact NZ-OE2 3.98Å |
| 52 | L | 84.9 | Confident | 84.3 | Confident | 81 Ų | 81 | 61.9 Ų | 61.9 | 42% | 0.424 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 173.5 | -83.4 | 154.7 | 0 | 0 | 0 | 112.3 | K48 N49 L50 E55 I56 | K48-L52 PolarHBondContact O-N 3.43Å; N49-L52 WeakPolarHBondContact O-CB 3.05Å; N49-L52 PolarHBondContact O-N 2.82Å; L50-L52 VanDerWaalsContact C-N 3.33Å; L52-E55 PolarHBondContact O-N 2.98Å; L52-I56 VanDerWaalsContact O-CG1 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.48Å; L52-I56 PolarHBondContact O-N 2.89Å |
| 53 | E | 87.2 | Confident | 85 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 12% | 0.117 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 175.1 | 179.6 | -175.2 | 169 | 0 | 0 | 111.1 | N49 L50 E55 I56 M57 F146 | N49-E53 PolarHBondContact O-N 2.92Å; L50-E53 PolarHBondContact O-N 2.74Å; E53-E55 VanDerWaalsContact C-N 3.33Å; E53-E55 PolarHBondContact O-N 3.39Å; E53-I56 PolarHBondContact O-N 3.34Å; E53-M57 HydrophobicContact CG-SD 4.23Å; E53-M57 WeakPolarHBondContact O-CG 3.24Å; E53-M57 PolarHBondContact O-N 3.07Å; E53-F146 HydrophobicContact CG-CB 4.38Å |
| 54 | I | 87.7 | Confident | 85.8 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 177.5 | -69.7 | 169.3 | 0 | 0 | 0 | 111.3 | L50 K51 M57 R58 M68 S71 V78 | L50-I54 HydrophobicContact CD1-CD1 4.33Å; L50-I54 HydrophobicContact CG-CD1 4.18Å; L50-I54 WeakPolarHBondContact O-CG1 3.36Å; L50-I54 PolarHBondContact O-N 3.2Å; K51-I54 PolarHBondContact O-N 3.45Å; I54-M57 PolarHBondContact O-N 2.89Å; I54-R58 HydrophobicContact CG2-CG 4.4Å; I54-R58 WeakPolarHBondContact O-CB 3.46Å; I54-R58 VanDerWaalsContact O-CG 3.29Å; I54-R58 WeakPolarHBondContact O-CG 3.33Å; I54-R58 PolarHBondContact O-N 3.12Å; I54-M68 HydrophobicContact CG1-CE 4.4Å; I54-S71 WeakPolarHBondContact CG2-OG 3.37Å; I54-V78 HydrophobicContact CD1-CG1 3.54Å |
| 55 | E | 88.8 | Confident | 86.7 | Confident | 132 Ų | 132 | 56 Ų | 56 | 62% | 0.617 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 178 | -172.4 | 176.1 | -171 | 0 | 0 | 111.9 | K51 L52 E53 R58 S59 | K51-E55 WeakPolarHBondContact O-CB 3.43Å; K51-E55 PolarHBondContact O-N 3.31Å; L52-E55 PolarHBondContact O-N 2.98Å; E53-E55 VanDerWaalsContact C-N 3.33Å; E53-E55 PolarHBondContact O-N 3.39Å; E55-R58 PolarHBondContact O-N 3.31Å; E55-S59 PolarHBondContact O-N 3.41Å |
| 56 | I | 88.7 | Confident | 87.6 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.1 | -50.7 | 174.2 | -68.1 | 169.7 | 0 | 0 | 0 | 109.6 | L52 E53 R58 S59 M60 I123 A149 V151 | L52-I56 VanDerWaalsContact O-CG1 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.48Å; L52-I56 PolarHBondContact O-N 2.89Å; E53-I56 PolarHBondContact O-N 3.34Å; I56-R58 PolarHBondContact O-N 3.15Å; I56-S59 PolarHBondContact O-N 2.72Å; I56-S59 VanDerWaalsContact O-N 3.08Å; I56-S59 PolarHBondContact O-OG 3.33Å; I56-M60 HydrophobicContact CG2-CE 4.07Å; I56-M60 HydrophobicContact CG2-SD 4.29Å; I56-M60 WeakPolarHBondContact O-CG 3.11Å; I56-I123 HydrophobicContact CG2-CD1 4.2Å; I56-I123 HydrophobicContact CG2-CG2 4.25Å; I56-A149 HydrophobicContact CD1-CB 4.35Å; I56-A149 HydrophobicContact CG2-CB 4.46Å; I56-V151 HydrophobicContact CD1-CG2 3.96Å; I56-V151 HydrophobicContact CG1-CG2 3.79Å |
| 57 | M | 90.9 | Very high | 88.4 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.049 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -38.3 | -179.4 | -68.6 | -176.3 | 72.3 | 0 | 0 | 113.8 | E53 I54 S59 M60 I66 M68 T82 F146 | E53-M57 HydrophobicContact CG-SD 4.23Å; E53-M57 WeakPolarHBondContact O-CG 3.24Å; E53-M57 PolarHBondContact O-N 3.07Å; I54-M57 PolarHBondContact O-N 2.89Å; M57-S59 PolarHBondContact O-N 3.16Å; M57-M60 HydrophobicContact CB-CE 4.3Å; M57-M60 HydrophobicContact CG-CE 4.04Å; M57-M60 PolarHBondContact O-N 2.87Å; M57-I66 HydrophobicContact CE-CG2 3.72Å; M57-M68 HydrophobicContact CB-CB 3.92Å; M57-M68 HydrophobicContact CB-CE 3.84Å; M57-M68 HydrophobicContact CE-CE 3.86Å; M57-M68 HydrophobicContact CG-CE 4.38Å; M57-M68 HydrophobicContact SD-CE 3.65Å; M57-T82 HydrophobicContact CE-CG2 4.1Å; M57-F146 HydrophobicContact CE-CD2 4.3Å; M57-F146 HydrophobicContact CG-CB 3.92Å; M57-F146 HydrophobicContact CG-CD2 3.91Å; M57-F146 HydrophobicContact CG-CG 4.09Å; M57-F146 HydrophobicContact SD-CB 4.33Å; M57-F146 HydrophobicContact SD-CD2 4.24Å |
| 58 | R | 89.3 | Confident | 88.9 | Confident | 123 Ų | 123 | 54.3 Ų | 54.3 | 46% | 0.464 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -24.6 | 175.1 | -78.8 | 178.4 | 171.4 | -172.9 | -6 | 113.5 | I54 E55 I56 M60 M68 S71 | I54-R58 HydrophobicContact CG2-CG 4.4Å; I54-R58 WeakPolarHBondContact O-CB 3.46Å; I54-R58 VanDerWaalsContact O-CG 3.29Å; I54-R58 WeakPolarHBondContact O-CG 3.33Å; I54-R58 PolarHBondContact O-N 3.12Å; E55-R58 PolarHBondContact O-N 3.31Å; I56-R58 PolarHBondContact O-N 3.15Å; R58-M60 VanDerWaalsContact C-N 3.32Å; R58-M68 HydrophobicContact CG-CB 4.4Å; R58-M68 HydrophobicContact CG-CG 3.85Å; R58-S71 PolarHBondContact NE-OG 3.1Å; R58-S71 PolarHBondContact NH2-O 3.18Å; R58-S71 PolarHBondContact NH2-OG 3.41Å |
| 59 | S | 87.4 | Confident | 89.2 | Confident | 68 Ų | 68 | 51.9 Ų | 51.9 | 48% | 0.476 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -8 | 179.5 | 74.5 | 0 | 0 | 0 | 0 | 113.9 | E55 I56 M57 | E55-S59 PolarHBondContact O-N 3.41Å; I56-S59 PolarHBondContact O-N 2.72Å; I56-S59 VanDerWaalsContact O-N 3.08Å; I56-S59 PolarHBondContact O-OG 3.33Å; M57-S59 PolarHBondContact O-N 3.16Å |
| 60 | M | 89.9 | Confident | 89.6 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | trans | -106.6 | 127.7 | -171.7 | -63.6 | -173.8 | -63.4 | 0 | 0 | 112.2 | I56 M57 R58 I65 Y117 L118 I123 F146 | I56-M60 HydrophobicContact CG2-CE 4.07Å; I56-M60 HydrophobicContact CG2-SD 4.29Å; I56-M60 WeakPolarHBondContact O-CG 3.11Å; M57-M60 HydrophobicContact CB-CE 4.3Å; M57-M60 HydrophobicContact CG-CE 4.04Å; M57-M60 PolarHBondContact O-N 2.87Å; R58-M60 VanDerWaalsContact C-N 3.32Å; M60-I65 HydrophobicContact CE-CG2 4.27Å; M60-Y117 WeakPolarHBondContact CA-OH 3.32Å; M60-Y117 HydrophobicContact CB-CE1 4.02Å; M60-Y117 HydrophobicContact CG-CE1 4.11Å; M60-L118 HydrophobicContact SD-CD2 3.28Å; M60-L118 WeakPolarHBondContact SD-CD2 3.39Å; M60-I123 HydrophobicContact CG-CD1 4.11Å; M60-I123 HydrophobicContact SD-CD1 4.05Å; M60-F146 HydrophobicContact CE-CD1 3.58Å; M60-F146 HydrophobicContact CE-CD2 3.81Å; M60-F146 HydrophobicContact CE-CE1 3.47Å; M60-F146 VanDerWaalsContact CE-CE1 3.47Å; M60-F146 HydrophobicContact CE-CE2 3.69Å; M60-F146 HydrophobicContact CE-CG 3.77Å; M60-F146 HydrophobicContact CE-CZ 3.54Å; M60-F146 HydrophobicContact SD-CD1 4.19Å; M60-F146 HydrophobicContact SD-CE1 3.71Å; M60-F146 HydrophobicContact SD-CZ 4.03Å | ||
| 61 | H | 90.3 | Very high | 89.9 | Confident | 113 Ų | 113 | 49.3 Ų | 49.3 | 52% | 0.523 | 24% | 0.244 | S | C | . | . | trans | -133.5 | 104.4 | 173.5 | -59.3 | -74 | 0 | 0 | 0 | 109 | E67 Y117 | H61-E67 IonicContact CE1-OE1 3.89Å; H61-E67 PolarHBondContact CE1-OE1 3.2Å; H61-E67 IonicContact CG-OE1 3.74Å; H61-E67 IonicContact ND1-OE1 2.73Å; H61-E67 PolarHBondContact ND1-OE1 3.35Å; H61-Y117 PolarHBondContact N-OH 3.07Å; H61-Y117 WeakPolarHBondContact O-CE2 3.32Å; H61-Y117 PolarHBondContact O-OH 2.98Å | ||
| 62 | H | 92.1 | Very high | 90 | Very high | 34 Ų | 34 | 45 Ų | 45 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | trans | -155.2 | 138 | -178.6 | -170.3 | -92.7 | 0 | 0 | 0 | 111 | N64 I65 S113 Y117 | H62-N64 PolarHBondContact ND1-N 3.42Å; H62-N64 VanDerWaalsContact ND1-N 3.1Å; H62-N64 PolarHBondContact O-N 2.65Å; H62-N64 VanDerWaalsContact O-N 3.16Å; H62-I65 HydrophobicContact CB-CB 4.09Å; H62-I65 HydrophobicContact CB-CD1 3.87Å; H62-I65 HydrophobicContact CB-CG1 3.99Å; H62-I65 PolarHBondContact O-N 3.27Å; H62-I65 VanDerWaalsContact O-O 3.05Å; H62-S113 PolarHBondContact CE1-OG 3.15Å; H62-S113 PolarHBondContact NE2-OG 3.08Å; H62-Y117 HydrophobicContact CB-CD1 4.01Å; H62-Y117 HydrophobicContact CB-CD2 4.26Å; H62-Y117 HydrophobicContact CB-CE1 4.21Å; H62-Y117 HydrophobicContact CB-CE2 4.45Å; H62-Y117 HydrophobicContact CB-CG 4.04Å; H62-Y117 AromaticContact CD2-CD2 3.73Å; H62-Y117 AromaticContact CD2-CG 3.7Å; H62-Y117 AromaticContact CG-CG 4Å | ||
| 63 | T | 91.8 | Very high | 90.1 | Very high | 100 Ų | 100 | 46.1 Ų | 46.1 | 61% | 0.613 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -38.6 | -176.9 | -51.8 | 0 | 0 | 0 | 0 | 112.8 | V140 K142 | T63-V140 HydrophobicContact CG2-CG1 4.33Å; T63-K142 PolarHBondContact O-NZ 3.04Å |
| 64 | N | 94.4 | Very high | 89.9 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 9% | 0.086 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 19 | -178.8 | -55.1 | 111.2 | 0 | 0 | 0 | 114.9 | H62 Q110 A114 V141 K142 L143 | H62-N64 PolarHBondContact ND1-N 3.42Å; H62-N64 VanDerWaalsContact ND1-N 3.1Å; H62-N64 PolarHBondContact O-N 2.65Å; H62-N64 VanDerWaalsContact O-N 3.16Å; N64-Q110 WeakPolarHBondContact CB-O 3.42Å; N64-Q110 WeakPolarHBondContact ND2-CB 3.3Å; N64-Q110 PolarHBondContact ND2-OE1 2.78Å; N64-A114 HydrophobicContact CB-CB 3.99Å; N64-V141 WeakPolarHBondContact CA-O 3.4Å; N64-V141 VanDerWaalsContact CB-O 3.32Å; N64-V141 WeakPolarHBondContact CB-O 3.4Å; N64-V141 PolarHBondContact ND2-O 2.95Å; N64-K142 WeakPolarHBondContact O-CA 3.43Å; N64-L143 PolarHBondContact O-N 3.12Å |
| 65 | I | 94.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -126.2 | 143.8 | 172.4 | -61.5 | 176.1 | 0 | 0 | 0 | 107.8 | M60 H62 E67 A114 Y117 L118 F146 | M60-I65 HydrophobicContact CE-CG2 4.27Å; H62-I65 HydrophobicContact CB-CB 4.09Å; H62-I65 HydrophobicContact CB-CD1 3.87Å; H62-I65 HydrophobicContact CB-CG1 3.99Å; H62-I65 PolarHBondContact O-N 3.27Å; H62-I65 VanDerWaalsContact O-O 3.05Å; I65-E67 PolarHBondContact O-N 2.93Å; I65-A114 HydrophobicContact CD1-CB 4.38Å; I65-A114 HydrophobicContact CG1-CB 3.92Å; I65-Y117 HydrophobicContact CD1-CD1 3.57Å; I65-Y117 HydrophobicContact CD1-CE1 4.15Å; I65-Y117 HydrophobicContact CD1-CG 4.44Å; I65-L118 HydrophobicContact CD1-CD1 4.4Å; I65-L118 HydrophobicContact CD1-CD2 3.78Å; I65-L118 HydrophobicContact CD1-CG 3.85Å; I65-F146 HydrophobicContact CG2-CE2 3.75Å; I65-F146 HydrophobicContact CG2-CZ 3.57Å |
| 66 | I | 93.4 | Very high | 89.3 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | trans | -68.2 | 123.7 | 175.5 | -156.1 | 72.8 | 0 | 0 | 0 | 109.9 | M57 D83 L134 K142 L143 C144 | M57-I66 HydrophobicContact CE-CG2 3.72Å; I66-D83 HydrophobicContact CD1-CB 3.59Å; I66-D83 HydrophobicContact CG1-CB 4.18Å; I66-L134 HydrophobicContact CD1-CD1 4.03Å; I66-L134 HydrophobicContact CG1-CD1 4.47Å; I66-K142 HydrophobicContact CD1-CB 4.42Å; I66-K142 HydrophobicContact CD1-CD 3.98Å; I66-L143 PolarHBondContact N-O 2.93Å; I66-C144 HydrophobicContact CB-CB 4.03Å; I66-C144 HydrophobicContact CG2-CB 3.62Å | ||
| 67 | E | 92.4 | Very high | 89.3 | Confident | 70 Ų | 70 | 58.8 Ų | 58.8 | 33% | 0.327 | 28% | 0.283 | S | S | . | . | trans | -86.8 | 134.8 | -176.1 | -173.2 | 167.3 | -172.7 | 0 | 0 | 111.2 | H61 I65 T82 D83 | H61-E67 IonicContact CE1-OE1 3.89Å; H61-E67 PolarHBondContact CE1-OE1 3.2Å; H61-E67 IonicContact CG-OE1 3.74Å; H61-E67 IonicContact ND1-OE1 2.73Å; H61-E67 PolarHBondContact ND1-OE1 3.35Å; I65-E67 PolarHBondContact O-N 2.93Å; E67-T82 CarbonylContact O-C 3.59Å; E67-T82 WeakPolarHBondContact O-CA 3.45Å; E67-T82 VanDerWaalsContact O-CB 3.3Å; E67-T82 WeakPolarHBondContact O-CB 3.01Å; E67-D83 PolarHBondContact O-N 3.27Å; E67-D83 VanDerWaalsContact O-N 3.11Å | ||
| 68 | M | 91.4 | Very high | 89.2 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 106.9 | 171.2 | -178.5 | 74 | 68.9 | 0 | 0 | 109.5 | I54 M57 R58 D70 A80 I81 T82 | I54-M68 HydrophobicContact CG1-CE 4.4Å; M57-M68 HydrophobicContact CB-CB 3.92Å; M57-M68 HydrophobicContact CB-CE 3.84Å; M57-M68 HydrophobicContact CE-CE 3.86Å; M57-M68 HydrophobicContact CG-CE 4.38Å; M57-M68 HydrophobicContact SD-CE 3.65Å; R58-M68 HydrophobicContact CG-CB 4.4Å; R58-M68 HydrophobicContact CG-CG 3.85Å; M68-D70 VanDerWaalsContact SD-O 3.39Å; M68-A80 HydrophobicContact CE-CB 3.84Å; M68-A80 HydrophobicContact SD-CB 3.86Å; M68-I81 CarbonylContact C-O 3.53Å; M68-T82 HydrophobicContact CE-CG2 4.27Å; M68-T82 HydrophobicContact SD-CG2 4.08Å |
| 69 | Q | 89.7 | Confident | 89.3 | Confident | 52 Ų | 52 | 53 Ų | 53 | 24% | 0.243 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -38.7 | -176.1 | -60.7 | -169.7 | 9.5 | 0 | 0 | 113.1 | Q30 I81 D83 | Q30-Q69 VanDerWaalsContact NE2-NE2 3.12Å; Q69-I81 HydrophobicContact CB-CG2 4.38Å; Q69-I81 PolarHBondContact N-O 2.88Å; Q69-D83 PolarHBondContact NE2-OD1 3.45Å |
| 70 | D | 88.7 | Confident | 89.4 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 15% | 0.15 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 162.3 | 175.2 | -156.7 | -10.5 | 0 | 0 | 0 | 109.2 | M1 M68 I81 | M1-D70 PolarHBondContact N-OD2 3.02Å; M68-D70 VanDerWaalsContact SD-O 3.39Å; D70-I81 HydrophobicContact CB-CB 4.21Å; D70-I81 HydrophobicContact CB-CG1 4.18Å; D70-I81 PolarHBondContact N-O 3.13Å; D70-I81 WeakPolarHBondContact O-CA 3.13Å; D70-I81 WeakPolarHBondContact O-CB 3.4Å; D70-I81 PolarHBondContact O-N 2.91Å |
| 71 | S | 89.8 | Confident | 89.6 | Confident | 16 Ų | 16 | 50 Ų | 50 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 141.8 | 161 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | I54 R58 V79 | I54-S71 WeakPolarHBondContact CG2-OG 3.37Å; R58-S71 PolarHBondContact NE-OG 3.1Å; R58-S71 PolarHBondContact NH2-O 3.18Å; R58-S71 PolarHBondContact NH2-OG 3.41Å; S71-V79 CarbonylContact C-O 3.58Å; S71-V79 WeakPolarHBondContact CA-O 3.44Å; S71-V79 VanDerWaalsContact CB-O 3.31Å; S71-V79 WeakPolarHBondContact CB-O 3.31Å |
| 72 | F | 87.7 | Confident | 89.7 | Confident | 22 Ų | 22 | 45.7 Ų | 45.7 | 10% | 0.096 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 147.6 | -177.7 | 43.4 | -90.3 | 0 | 0 | 0 | 110.7 | L3 Y6 M34 V79 I81 | L3-F72 HydrophobicContact CB-CE2 3.69Å; L3-F72 HydrophobicContact CB-CZ 4.06Å; L3-F72 HydrophobicContact CD1-CE2 3.77Å; L3-F72 HydrophobicContact CD1-CZ 3.66Å; L3-F72 HydrophobicContact CG-CE2 4.29Å; L3-F72 HydrophobicContact CG-CZ 4.49Å; Y6-F72 HydrophobicContact CD2-CE1 4.33Å; Y6-F72 HydrophobicContact CE2-CE1 4.22Å; M34-F72 HydrophobicContact CE-CZ 4.37Å; F72-V79 HydrophobicContact CD2-CB 3.64Å; F72-V79 HydrophobicContact CD2-CG1 4.41Å; F72-V79 HydrophobicContact CD2-CG2 3.87Å; F72-V79 HydrophobicContact CE1-CB 4.35Å; F72-V79 HydrophobicContact CE1-CG1 4.26Å; F72-V79 HydrophobicContact CE2-CB 3.27Å; F72-V79 HydrophobicContact CE2-CG1 3.6Å; F72-V79 HydrophobicContact CE2-CG2 3.47Å; F72-V79 VanDerWaalsContact CE2-CG2 3.47Å; F72-V79 HydrophobicContact CG-CB 4.33Å; F72-V79 HydrophobicContact CZ-CB 3.67Å; F72-V79 HydrophobicContact CZ-CG1 3.49Å; F72-V79 VanDerWaalsContact CZ-CG1 3.49Å; F72-V79 HydrophobicContact CZ-CG2 4.27Å; F72-V79 PolarHBondContact N-O 3.21Å; F72-V79 PolarHBondContact O-N 2.95Å; F72-I81 HydrophobicContact CD1-CG1 4.45Å; F72-I81 HydrophobicContact CE1-CD1 3.76Å; F72-I81 HydrophobicContact CE1-CG1 3.64Å; F72-I81 HydrophobicContact CZ-CD1 3.93Å; F72-I81 HydrophobicContact CZ-CG1 4.32Å |
| 73 | E | 85.6 | Confident | 89.6 | Confident | 106 Ų | 106 | 45.3 Ų | 45.3 | 50% | 0.495 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 115.7 | -178.2 | -176.2 | 170.4 | 178.1 | 0 | 0 | 107.8 | K39 K51 V78 | K39-E73 WeakPolarHBondContact CE-OE1 3.35Å; K39-E73 VanDerWaalsContact NZ-CD 3.27Å; K39-E73 IonicContact NZ-OE1 3.05Å; K39-E73 PolarHBondContact NZ-OE1 3.25Å; K51-E73 IonicContact NZ-OE2 3.98Å; E73-V78 HydrophobicContact CG-CG2 4.19Å |
| 74 | T | 82.7 | Confident | 89.6 | Confident | 54 Ų | 54 | 43.8 Ų | 43.8 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | trans | -89.6 | 176.2 | 170 | 69.3 | 0 | 0 | 0 | 0 | 109.4 | K39 R76 E77 | K39-T74 WeakPolarHBondContact CE-O 3.22Å; K39-T74 PolarHBondContact NZ-O 3.02Å; T74-R76 PolarHBondContact O-N 3Å; T74-R76 PolarHBondContact OG1-N 3.1Å; T74-E77 PolarHBondContact N-O 2.88Å; T74-E77 PolarHBondContact OG1-N 3.11Å; T74-E77 PolarHBondContact OG1-O 3.2Å | ||
| 75 | E | 81.6 | Confident | 89.3 | Confident | 184 Ų | 184 | 43.8 Ų | 43.8 | 86% | 0.86 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -58.5 | -35.1 | 175.5 | -69.5 | -174.5 | 169.1 | 0 | 0 | 112.9 | ||
| 76 | R | 83.8 | Confident | 88.9 | Confident | 172 Ų | 172 | 49.7 Ų | 49.7 | 65% | 0.649 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -108.3 | -22.9 | -170.5 | -60.8 | -175.7 | -177.4 | -163.3 | 0.4 | 114.7 | K39 T74 | K39-R76 WeakPolarHBondContact CB-O 3.25Å; K39-R76 PolarHBondContact N-O 2.95Å; T74-R76 PolarHBondContact O-N 3Å; T74-R76 PolarHBondContact OG1-N 3.1Å |
| 77 | E | 88.5 | Confident | 88.6 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150.5 | -169.8 | -55.5 | -177.2 | 139.6 | 0 | 0 | 111.5 | R19 I37 T74 | R19-E77 IonicContact NH2-OE1 3.38Å; I37-E77 CarbonylContact O-C 3.53Å; I37-E77 VanDerWaalsContact O-CA 3.22Å; I37-E77 WeakPolarHBondContact O-CA 3.49Å; T74-E77 PolarHBondContact N-O 2.88Å; T74-E77 PolarHBondContact OG1-N 3.11Å; T74-E77 PolarHBondContact OG1-O 3.2Å |
| 78 | V | 89.1 | Confident | 88.5 | Confident | 10 Ų | 10 | 49 Ų | 49 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.8 | 164.6 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | I37 K39 L50 I54 E73 | I37-V78 HydrophobicContact CB-CB 4.4Å; I37-V78 WeakPolarHBondContact CB-O 3.45Å; I37-V78 PolarHBondContact N-O 3.48Å; I37-V78 PolarHBondContact O-N 2.89Å; K39-V78 HydrophobicContact CG-CG2 4.31Å; L50-V78 HydrophobicContact CD2-CB 3.97Å; L50-V78 HydrophobicContact CD2-CG1 4.19Å; L50-V78 HydrophobicContact CD2-CG2 4.02Å; I54-V78 HydrophobicContact CD1-CG1 3.54Å; E73-V78 HydrophobicContact CG-CG2 4.19Å |
| 79 | V | 90.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.2 | 179.2 | -170.5 | 0 | 0 | 0 | 0 | 109.1 | K35 F36 S71 F72 I81 | K35-V79 CarbonylContact O-C 3.6Å; K35-V79 VanDerWaalsContact O-CA 3.32Å; K35-V79 WeakPolarHBondContact O-CA 3.35Å; F36-V79 HydrophobicContact CD1-CB 4.43Å; F36-V79 HydrophobicContact CD1-CG1 4.12Å; F36-V79 HydrophobicContact CD1-CG2 3.49Å; F36-V79 VanDerWaalsContact CD1-CG2 3.49Å; F36-V79 HydrophobicContact CD2-CG1 4.32Å; F36-V79 HydrophobicContact CE1-CG1 3.98Å; F36-V79 HydrophobicContact CE1-CG2 3.7Å; F36-V79 HydrophobicContact CE2-CG1 4.2Å; F36-V79 HydrophobicContact CG-CG1 4.28Å; F36-V79 HydrophobicContact CG-CG2 4.2Å; F36-V79 HydrophobicContact CZ-CG1 4.03Å; S71-V79 CarbonylContact C-O 3.58Å; S71-V79 WeakPolarHBondContact CA-O 3.44Å; S71-V79 VanDerWaalsContact CB-O 3.31Å; S71-V79 WeakPolarHBondContact CB-O 3.31Å; F72-V79 HydrophobicContact CD2-CB 3.64Å; F72-V79 HydrophobicContact CD2-CG1 4.41Å; F72-V79 HydrophobicContact CD2-CG2 3.87Å; F72-V79 HydrophobicContact CE1-CB 4.35Å; F72-V79 HydrophobicContact CE1-CG1 4.26Å; F72-V79 HydrophobicContact CE2-CB 3.27Å; F72-V79 HydrophobicContact CE2-CG1 3.6Å; F72-V79 HydrophobicContact CE2-CG2 3.47Å; F72-V79 VanDerWaalsContact CE2-CG2 3.47Å; F72-V79 HydrophobicContact CG-CB 4.33Å; F72-V79 HydrophobicContact CZ-CB 3.67Å; F72-V79 HydrophobicContact CZ-CG1 3.49Å; F72-V79 VanDerWaalsContact CZ-CG1 3.49Å; F72-V79 HydrophobicContact CZ-CG2 4.27Å; F72-V79 PolarHBondContact N-O 3.21Å; F72-V79 PolarHBondContact O-N 2.95Å; V79-I81 HydrophobicContact CG1-CD1 3.86Å |
| 80 | A | 90.1 | Very high | 88.6 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | M34 K35 M68 | M34-A80 CarbonylContact C-O 3.53Å; M34-A80 WeakPolarHBondContact CA-O 3.16Å; K35-A80 HydrophobicContact CB-CB 4.37Å; K35-A80 PolarHBondContact N-O 2.96Å; K35-A80 PolarHBondContact O-N 3.32Å; M68-A80 HydrophobicContact CE-CB 3.84Å; M68-A80 HydrophobicContact SD-CB 3.86Å |
| 81 | I | 92.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.4 | -179.4 | -48.9 | -63.7 | 0 | 0 | 0 | 108.5 | Y6 V32 A33 M34 M68 Q69 D70 F72 V79 | Y6-I81 HydrophobicContact CE1-CG2 3.79Å; Y6-I81 HydrophobicContact CE2-CG1 4.37Å; V32-I81 HydrophobicContact CB-CG2 3.81Å; V32-I81 HydrophobicContact CG1-CG2 4.1Å; V32-I81 HydrophobicContact CG2-CG2 3.85Å; A33-I81 WeakPolarHBondContact O-CA 3.4Å; M34-I81 HydrophobicContact CB-CD1 3.88Å; M34-I81 HydrophobicContact CE-CD1 3.56Å; M34-I81 HydrophobicContact CG-CD1 3.62Å; M34-I81 HydrophobicContact SD-CD1 4.35Å; M68-I81 CarbonylContact C-O 3.53Å; Q69-I81 HydrophobicContact CB-CG2 4.38Å; Q69-I81 PolarHBondContact N-O 2.88Å; D70-I81 HydrophobicContact CB-CB 4.21Å; D70-I81 HydrophobicContact CB-CG1 4.18Å; D70-I81 PolarHBondContact N-O 3.13Å; D70-I81 WeakPolarHBondContact O-CA 3.13Å; D70-I81 WeakPolarHBondContact O-CB 3.4Å; D70-I81 PolarHBondContact O-N 2.91Å; F72-I81 HydrophobicContact CD1-CG1 4.45Å; F72-I81 HydrophobicContact CE1-CD1 3.76Å; F72-I81 HydrophobicContact CE1-CG1 3.64Å; F72-I81 HydrophobicContact CZ-CD1 3.93Å; F72-I81 HydrophobicContact CZ-CG1 4.32Å; V79-I81 HydrophobicContact CG1-CD1 3.86Å |
| 82 | T | 92.8 | Very high | 88.5 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 14% | 0.141 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 171.6 | 179.6 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | V32 A33 M57 E67 M68 | V32-T82 WeakPolarHBondContact CA-O 3.36Å; V32-T82 WeakPolarHBondContact CB-O 3.42Å; A33-T82 PolarHBondContact N-O 2.9Å; A33-T82 PolarHBondContact O-N 3.43Å; M57-T82 HydrophobicContact CE-CG2 4.1Å; E67-T82 CarbonylContact O-C 3.59Å; E67-T82 WeakPolarHBondContact O-CA 3.45Å; E67-T82 VanDerWaalsContact O-CB 3.3Å; E67-T82 WeakPolarHBondContact O-CB 3.01Å; M68-T82 HydrophobicContact CE-CG2 4.27Å; M68-T82 HydrophobicContact SD-CG2 4.08Å |
| 83 | D | 90.2 | Very high | 88.6 | Confident | 26 Ų | 26 | 53 Ų | 53 | 14% | 0.139 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.4 | 147.6 | 161 | -73.2 | -10.7 | 0 | 0 | 0 | 111.3 | I66 E67 Q69 K142 | I66-D83 HydrophobicContact CD1-CB 3.59Å; I66-D83 HydrophobicContact CG1-CB 4.18Å; E67-D83 PolarHBondContact O-N 3.27Å; E67-D83 VanDerWaalsContact O-N 3.11Å; Q69-D83 PolarHBondContact NE2-OD1 3.45Å; D83-K142 IonicContact OD2-NZ 3.85Å; D83-K142 PolarHBondContact OD2-NZ 2.97Å |
| 84 | Y | 90.8 | Very high | 88.7 | Confident | 67 Ų | 67 | 54.4 Ų | 54.4 | 26% | 0.263 | 26% | 0.263 | S | S | . | . | trans | -94.7 | 136.8 | 172.2 | 177.1 | -96.1 | 0 | 0 | 0 | 110.4 | I12 R22 I31 E86 | I12-Y84 HydrophobicContact CD1-CD2 3.9Å; I12-Y84 HydrophobicContact CD1-CE2 3.64Å; I12-Y84 HydrophobicContact CG2-CE2 4.35Å; R22-Y84 HydrophobicContact CB-CE2 4.31Å; R22-Y84 HydrophobicContact CG-CD2 4.07Å; R22-Y84 HydrophobicContact CG-CE2 3.9Å; I31-Y84 HydrophobicContact CG2-CD1 3.94Å; I31-Y84 HydrophobicContact CG2-CD2 4.28Å; I31-Y84 HydrophobicContact CG2-CG 3.75Å; Y84-E86 HydrophobicContact CE1-CG 4.19Å | ||
| 85 | A | 89.3 | Confident | 88.8 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | trans | -124.3 | 154.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L134 L135 | A85-L134 HydrophobicContact CB-CB 3.55Å; A85-L134 HydrophobicContact CB-CD1 3.95Å; A85-L134 HydrophobicContact CB-CG 4.3Å; A85-L135 WeakPolarHBondContact CB-O 3.03Å | ||
| 86 | E | 85.2 | Confident | 89 | Confident | 126 Ų | 126 | 53.7 Ų | 53.7 | 59% | 0.589 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -86.3 | -24.7 | -168.7 | -65.7 | -176.4 | 176.2 | 0 | 0 | 113.7 | Y84 L135 | Y84-E86 HydrophobicContact CE1-CG 4.19Å; E86-L135 PolarHBondContact N-O 2.95Å |
| 87 | G | 87.6 | Confident | 89 | Confident | 21 Ų | 21 | 47.2 Ų | 47.2 | 22% | 0.216 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | -167.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | L134 L135 | G87-L134 CarbonylContact O-C 3.58Å; G87-L134 WeakPolarHBondContact O-CA 3.36Å; G87-L135 PolarHBondContact O-N 3.07Å |
| 88 | D | 91.4 | Very high | 89.1 | Confident | 40 Ų | 40 | 52.1 Ų | 52.1 | 21% | 0.214 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 166.5 | 177.7 | 64.2 | 55.9 | 0 | 0 | 0 | 112 | F90 Q91 I92 I133 L134 | D88-F90 PolarHBondContact O-N 2.83Å; D88-F90 WeakPolarHBondContact OD1-CA 3.31Å; D88-F90 VanDerWaalsContact OD1-CB 3.25Å; D88-F90 WeakPolarHBondContact OD1-CB 3.33Å; D88-F90 PolarHBondContact OD1-N 3Å; D88-Q91 PolarHBondContact O-N 3.46Å; D88-Q91 PolarHBondContact OD1-N 3.36Å; D88-I92 PolarHBondContact O-N 3.21Å; D88-I133 CarbonylContact C-O 3.58Å; D88-I133 WeakPolarHBondContact CA-O 3.47Å; D88-L134 HydrophobicContact CB-CD2 3.9Å |
| 89 | L | 92.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.4 | -22.7 | -179.5 | -76.3 | -176.9 | 0 | 0 | 0 | 113.4 | I92 I93 V107 P130 I133 L135 L195 | L89-I92 PolarHBondContact O-N 3.03Å; L89-I93 WeakPolarHBondContact O-CD1 3.48Å; L89-I93 WeakPolarHBondContact O-CG1 3.48Å; L89-I93 PolarHBondContact O-N 3.27Å; L89-I93 VanDerWaalsContact O-N 3.08Å; L89-V107 HydrophobicContact CD1-CG1 3.88Å; L89-P130 HydrophobicContact CB-CB 4.13Å; L89-P130 PolarHBondContact N-O 2.93Å; L89-I133 HydrophobicContact CB-CB 4.41Å; L89-I133 HydrophobicContact CD1-CB 3.78Å; L89-I133 HydrophobicContact CD1-CD1 4.15Å; L89-I133 HydrophobicContact CD1-CG2 3.33Å; L89-I133 HydrophobicContact CG-CB 4.11Å; L89-I133 HydrophobicContact CG-CG2 3.78Å; L89-I133 PolarHBondContact N-O 3.06Å; L89-L135 HydrophobicContact CD2-CD1 4.21Å; L89-L135 HydrophobicContact CD2-CD2 3.86Å; L89-L135 HydrophobicContact CD2-CG 4.31Å; L89-L135 HydrophobicContact CG-CD2 4.43Å; L89-L195 HydrophobicContact CB-CD2 4.32Å; L89-L195 HydrophobicContact CD1-CD1 4.09Å; L89-L195 HydrophobicContact CD1-CD2 4.2Å; L89-L195 HydrophobicContact CD2-CD2 4.21Å |
| 90 | F | 90.2 | Very high | 89.4 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 27% | 0.272 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.6 | -44.2 | 176.3 | -179.5 | -102.7 | 0 | 0 | 0 | 110.4 | D88 I92 I93 E94 P130 Q131 | D88-F90 PolarHBondContact O-N 2.83Å; D88-F90 WeakPolarHBondContact OD1-CA 3.31Å; D88-F90 VanDerWaalsContact OD1-CB 3.25Å; D88-F90 WeakPolarHBondContact OD1-CB 3.33Å; D88-F90 PolarHBondContact OD1-N 3Å; F90-I92 VanDerWaalsContact C-N 3.29Å; F90-I92 PolarHBondContact O-N 2.68Å; F90-I93 PolarHBondContact O-N 3.2Å; F90-E94 HydrophobicContact CD1-CG 4.27Å; F90-E94 HydrophobicContact CE1-CG 3.84Å; F90-E94 WeakPolarHBondContact CE1-OE1 3.38Å; F90-E94 HydrophobicContact CZ-CG 4.02Å; F90-E94 WeakPolarHBondContact CZ-OE1 3.28Å; F90-E94 PolarHBondContact O-N 2.9Å; F90-P130 HydrophobicContact CB-CB 3.91Å; F90-Q131 HydrophobicContact CB-CB 4.43Å; F90-Q131 HydrophobicContact CB-CG 3.69Å; F90-Q131 HydrophobicContact CD1-CG 4.15Å; F90-Q131 HydrophobicContact CD2-CG 4.27Å; F90-Q131 VanDerWaalsContact CE2-NE2 3.31Å; F90-Q131 HydrophobicContact CG-CG 3.78Å |
| 91 | Q | 87.7 | Confident | 89.6 | Confident | 92 Ų | 92 | 57.2 Ų | 57.2 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.7 | -40.2 | 174.4 | -172.7 | 171.2 | 15 | 0 | 0 | 112 | D88 I93 E94 D95 | D88-Q91 PolarHBondContact O-N 3.46Å; D88-Q91 PolarHBondContact OD1-N 3.36Å; Q91-I93 PolarHBondContact O-N 3.43Å; Q91-E94 PolarHBondContact O-N 2.99Å; Q91-D95 WeakPolarHBondContact O-CB 3.47Å; Q91-D95 PolarHBondContact O-N 3.26Å |
| 92 | I | 88.8 | Confident | 89.7 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 173.5 | -70.3 | -158.1 | 0 | 0 | 0 | 112.1 | D88 L89 F90 E94 D95 D96 L99 L135 | D88-I92 PolarHBondContact O-N 3.21Å; L89-I92 PolarHBondContact O-N 3.03Å; F90-I92 VanDerWaalsContact C-N 3.29Å; F90-I92 PolarHBondContact O-N 2.68Å; I92-E94 VanDerWaalsContact C-N 3.34Å; I92-D95 PolarHBondContact O-N 2.79Å; I92-D96 HydrophobicContact CG2-CB 4.45Å; I92-D96 WeakPolarHBondContact O-CB 3.35Å; I92-D96 PolarHBondContact O-N 3.09Å; I92-L99 HydrophobicContact CG2-CD1 4.14Å; I92-L99 HydrophobicContact CG2-CD2 3.69Å; I92-L99 HydrophobicContact CG2-CG 4.19Å; I92-L135 HydrophobicContact CD1-CD1 3.15Å; I92-L135 HydrophobicContact CG1-CD1 3.65Å |
| 93 | I | 90.2 | Very high | 89.7 | Confident | 16 Ų | 16 | 65.3 Ų | 65.3 | 8% | 0.082 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 176.8 | -66 | 158 | 0 | 0 | 0 | 110.4 | L89 F90 Q91 G97 P130 E194 L195 | L89-I93 WeakPolarHBondContact O-CD1 3.48Å; L89-I93 WeakPolarHBondContact O-CG1 3.48Å; L89-I93 PolarHBondContact O-N 3.27Å; L89-I93 VanDerWaalsContact O-N 3.08Å; F90-I93 PolarHBondContact O-N 3.2Å; Q91-I93 PolarHBondContact O-N 3.43Å; I93-G97 WeakPolarHBondContact O-CA 3.21Å; I93-G97 PolarHBondContact O-N 3.14Å; I93-P130 HydrophobicContact CD1-CB 3.87Å; I93-P130 HydrophobicContact CD1-CG 3.89Å; I93-E194 HydrophobicContact CD1-CG 3.92Å; I93-L195 HydrophobicContact CD1-CD2 3.79Å; I93-L195 HydrophobicContact CG1-CD2 3.85Å |
| 94 | E | 86.1 | Confident | 89.9 | Confident | 135 Ų | 135 | 64.1 Ų | 64.1 | 63% | 0.631 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.1 | -42.4 | 176.1 | -72.2 | -166.8 | 145.6 | 0 | 0 | 112.6 | F90 Q91 I92 | F90-E94 HydrophobicContact CD1-CG 4.27Å; F90-E94 HydrophobicContact CE1-CG 3.84Å; F90-E94 WeakPolarHBondContact CE1-OE1 3.38Å; F90-E94 HydrophobicContact CZ-CG 4.02Å; F90-E94 WeakPolarHBondContact CZ-OE1 3.28Å; F90-E94 PolarHBondContact O-N 2.9Å; Q91-E94 PolarHBondContact O-N 2.99Å; I92-E94 VanDerWaalsContact C-N 3.34Å |
| 95 | D | 85.2 | Confident | 90.2 | Very high | 116 Ų | 116 | 63.6 Ų | 63.6 | 62% | 0.62 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -79.2 | -45.9 | -175.9 | -71.7 | -22.4 | 0 | 0 | 0 | 112.6 | Q91 I92 | Q91-D95 WeakPolarHBondContact O-CB 3.47Å; Q91-D95 PolarHBondContact O-N 3.26Å; I92-D95 PolarHBondContact O-N 2.79Å |
| 96 | D | 85.3 | Confident | 90.4 | Very high | 108 Ų | 108 | 65.6 Ų | 65.6 | 58% | 0.578 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -101.4 | -13.9 | -172.5 | -66.4 | -21.1 | 0 | 0 | 0 | 113.5 | I92 R98 | I92-D96 HydrophobicContact CG2-CB 4.45Å; I92-D96 WeakPolarHBondContact O-CB 3.35Å; I92-D96 PolarHBondContact O-N 3.09Å; D96-R98 PolarHBondContact O-N 2.87Å |
| 97 | G | 85 | Confident | 90.9 | Very high | 36 Ų | 36 | 59.9 Ų | 59.9 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 75.2 | -59.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I93 G198 | I93-G97 WeakPolarHBondContact O-CA 3.21Å; I93-G97 PolarHBondContact O-N 3.14Å; G97-G198 WeakPolarHBondContact O-CA 3.46Å |
| 98 | R | 90.4 | Very high | 91.3 | Very high | 145 Ų | 145 | 58.9 Ų | 58.9 | 55% | 0.547 | 30% | 0.304 | S | S | . | . | trans | -146.6 | 153.3 | 178.6 | 67.3 | 176.1 | -177.3 | 160.8 | 3.3 | 112.8 | D96 F196 D224 | D96-R98 PolarHBondContact O-N 2.87Å; R98-F196 WeakPolarHBondContact CB-O 3.5Å; R98-D224 IonicContact CZ-OD2 3.59Å; R98-D224 IonicContact NH1-OD2 2.91Å; R98-D224 PolarHBondContact NH1-OD2 3.43Å | ||
| 99 | L | 92.6 | Very high | 91.5 | Very high | 26 Ų | 26 | 57.4 Ų | 57.4 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | trans | -105.4 | 154.3 | -179.3 | -63.1 | -176.7 | 0 | 0 | 0 | 112.9 | I92 T103 V104 L195 | I92-L99 HydrophobicContact CG2-CD1 4.14Å; I92-L99 HydrophobicContact CG2-CD2 3.69Å; I92-L99 HydrophobicContact CG2-CG 4.19Å; L99-T103 HydrophobicContact CD1-CG2 4.09Å; L99-V104 HydrophobicContact CB-CG2 3.87Å; L99-L195 HydrophobicContact CD1-CB 4.35Å; L99-L195 HydrophobicContact CD1-CD2 3.87Å; L99-L195 PolarHBondContact N-O 3.2Å | ||
| 100 | S | 93.6 | Very high | 91.6 | Very high | 64 Ų | 64 | 58.8 Ų | 58.8 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | trans | -66.1 | 149.1 | 174 | 82.9 | 0 | 0 | 0 | 0 | 111.6 | E102 T103 V104 | S100-E102 PolarHBondContact O-N 3.09Å; S100-E102 VanDerWaalsContact O-N 3.12Å; S100-T103 PolarHBondContact O-N 3.26Å; S100-T103 PolarHBondContact OG-N 3.01Å; S100-T103 PolarHBondContact OG-OG1 3.13Å; S100-V104 WeakPolarHBondContact O-CG2 3.27Å; S100-V104 PolarHBondContact O-N 3.42Å | ||
| 101 | E | 94.8 | Very high | 91.9 | Very high | 34 Ų | 34 | 55.9 Ų | 55.9 | 16% | 0.159 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.3 | -31.5 | 177.4 | -168.3 | 179.9 | 125.5 | 0 | 0 | 112.4 | R105 F196 S226 F229 F255 | E101-R105 VanDerWaalsContact O-CB 3.31Å; E101-R105 WeakPolarHBondContact O-CB 3.46Å; E101-R105 PolarHBondContact O-N 3Å; E101-R105 IonicContact OE1-NH2 3.37Å; E101-R105 PolarHBondContact OE1-NH2 3.08Å; E101-F196 HydrophobicContact CB-CD2 4.36Å; E101-F196 HydrophobicContact CB-CE2 4Å; E101-S226 VanDerWaalsContact OE1-CB 3.3Å; E101-S226 WeakPolarHBondContact OE1-CB 3.24Å; E101-S226 PolarHBondContact OE1-OG 3.26Å; E101-S226 WeakPolarHBondContact OE2-CB 3.5Å; E101-S226 PolarHBondContact OE2-N 3.49Å; E101-S226 PolarHBondContact OE2-OG 3.11Å; E101-S226 VanDerWaalsContact OE2-OG 3.14Å; E101-F229 HydrophobicContact CG-CB 4.21Å; E101-F229 HydrophobicContact CG-CD1 3.78Å; E101-F229 HydrophobicContact CG-CE1 4.45Å; E101-F229 HydrophobicContact CG-CG 4.12Å; E101-F255 HydrophobicContact CG-CE2 4.08Å; E101-F255 HydrophobicContact CG-CZ 4.38Å |
| 102 | E | 93.7 | Very high | 92.3 | Very high | 131 Ų | 131 | 51.5 Ų | 51.5 | 61% | 0.612 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -68 | -43.4 | 176.6 | -176.9 | 168.1 | -159.1 | 0 | 0 | 112.4 | S100 R105 S106 | S100-E102 PolarHBondContact O-N 3.09Å; S100-E102 VanDerWaalsContact O-N 3.12Å; E102-R105 WeakPolarHBondContact O-CB 3.42Å; E102-R105 PolarHBondContact O-N 3.26Å; E102-S106 PolarHBondContact O-N 3.3Å |
| 103 | T | 93.5 | Very high | 92.6 | Very high | 63 Ų | 63 | 49.8 Ų | 49.8 | 39% | 0.387 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 173.7 | -47.6 | 0 | 0 | 0 | 0 | 110.5 | L99 S100 R105 S106 V107 | L99-T103 HydrophobicContact CD1-CG2 4.09Å; S100-T103 PolarHBondContact O-N 3.26Å; S100-T103 PolarHBondContact OG-N 3.01Å; S100-T103 PolarHBondContact OG-OG1 3.13Å; T103-R105 VanDerWaalsContact C-N 3.28Å; T103-R105 PolarHBondContact O-N 3.22Å; T103-S106 WeakPolarHBondContact O-CB 3.44Å; T103-S106 PolarHBondContact O-N 3.49Å; T103-S106 VanDerWaalsContact O-N 3.09Å; T103-V107 WeakPolarHBondContact O-CG2 3.22Å; T103-V107 PolarHBondContact O-N 3.04Å |
| 104 | V | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 176.9 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | L99 S100 V107 A108 L192 L195 F196 F229 | L99-V104 HydrophobicContact CB-CG2 3.87Å; S100-V104 WeakPolarHBondContact O-CG2 3.27Å; S100-V104 PolarHBondContact O-N 3.42Å; V104-V107 PolarHBondContact O-N 3.29Å; V104-A108 VanDerWaalsContact O-CB 3.31Å; V104-A108 WeakPolarHBondContact O-CB 3.4Å; V104-A108 PolarHBondContact O-N 3.37Å; V104-L192 HydrophobicContact CG1-CB 4.26Å; V104-L192 HydrophobicContact CG1-CD2 3.9Å; V104-L195 HydrophobicContact CG2-CB 3.9Å; V104-F196 HydrophobicContact CG2-CB 4.34Å; V104-F229 HydrophobicContact CG1-CE1 4.24Å; V104-F229 HydrophobicContact CG1-CE2 4.06Å; V104-F229 HydrophobicContact CG1-CZ 3.54Å |
| 105 | R | 95.8 | Very high | 93.3 | Very high | 57 Ų | 57 | 42.6 Ų | 42.6 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 173.2 | -172.4 | -177.4 | -61.8 | 110.2 | 2.8 | 112 | E101 E102 T103 A108 C109 F255 | E101-R105 VanDerWaalsContact O-CB 3.31Å; E101-R105 WeakPolarHBondContact O-CB 3.46Å; E101-R105 PolarHBondContact O-N 3Å; E101-R105 IonicContact OE1-NH2 3.37Å; E101-R105 PolarHBondContact OE1-NH2 3.08Å; E102-R105 WeakPolarHBondContact O-CB 3.42Å; E102-R105 PolarHBondContact O-N 3.26Å; T103-R105 VanDerWaalsContact C-N 3.28Å; T103-R105 PolarHBondContact O-N 3.22Å; R105-A108 WeakPolarHBondContact O-CB 3.49Å; R105-A108 PolarHBondContact O-N 3.38Å; R105-C109 PolarHBondContact O-N 3.41Å; R105-C109 PolarHBondContact O-SG 3.2Å; R105-F255 HydrophobicContact CB-CE1 4.06Å; R105-F255 HydrophobicContact CB-CE2 4.14Å; R105-F255 HydrophobicContact CB-CZ 3.63Å; R105-F255 WeakPolarHBondContact CD-O 3.47Å; R105-F255 HydrophobicContact CG-CD1 4.48Å; R105-F255 HydrophobicContact CG-CE1 4.11Å; R105-F255 HydrophobicContact CG-CE2 4.23Å; R105-F255 HydrophobicContact CG-CZ 3.97Å; R105-F255 WeakPolarHBondContact CG-O 3.49Å |
| 106 | S | 94.1 | Very high | 93.7 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 41% | 0.406 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.7 | -47.1 | 176 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | E102 T103 A108 C109 Q110 | E102-S106 PolarHBondContact O-N 3.3Å; T103-S106 WeakPolarHBondContact O-CB 3.44Å; T103-S106 PolarHBondContact O-N 3.49Å; T103-S106 VanDerWaalsContact O-N 3.09Å; S106-A108 VanDerWaalsContact C-N 3.35Å; S106-A108 PolarHBondContact O-N 2.98Å; S106-C109 PolarHBondContact O-N 2.88Å; S106-Q110 WeakPolarHBondContact O-CG 3.39Å; S106-Q110 PolarHBondContact O-N 3.41Å; S106-Q110 PolarHBondContact OG-NE2 3.49Å |
| 107 | V | 95.1 | Very high | 94.2 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 175.4 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | L89 T103 V104 C109 Q110 L111 V141 L195 | L89-V107 HydrophobicContact CD1-CG1 3.88Å; T103-V107 WeakPolarHBondContact O-CG2 3.22Å; T103-V107 PolarHBondContact O-N 3.04Å; V104-V107 PolarHBondContact O-N 3.29Å; V107-C109 PolarHBondContact O-N 3.24Å; V107-Q110 PolarHBondContact O-N 2.95Å; V107-L111 HydrophobicContact CG1-CD1 3.7Å; V107-L111 HydrophobicContact CG1-CG 4.21Å; V107-L111 WeakPolarHBondContact O-CG 3.2Å; V107-L111 PolarHBondContact O-N 3.33Å; V107-V141 HydrophobicContact CB-CG2 4.45Å; V107-V141 HydrophobicContact CG1-CG2 4.35Å; V107-V141 HydrophobicContact CG2-CG2 4.03Å; V107-L195 HydrophobicContact CB-CD1 4.41Å; V107-L195 HydrophobicContact CG1-CD1 3.87Å |
| 108 | A | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.7 | -48.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V104 R105 S106 Q110 L111 V112 L192 F255 V256 | V104-A108 VanDerWaalsContact O-CB 3.31Å; V104-A108 WeakPolarHBondContact O-CB 3.4Å; V104-A108 PolarHBondContact O-N 3.37Å; R105-A108 WeakPolarHBondContact O-CB 3.49Å; R105-A108 PolarHBondContact O-N 3.38Å; S106-A108 VanDerWaalsContact C-N 3.35Å; S106-A108 PolarHBondContact O-N 2.98Å; A108-Q110 VanDerWaalsContact C-N 3.31Å; A108-Q110 PolarHBondContact O-N 3.05Å; A108-L111 PolarHBondContact O-N 2.87Å; A108-V112 WeakPolarHBondContact O-CB 3.5Å; A108-V112 WeakPolarHBondContact O-CG2 3.31Å; A108-V112 PolarHBondContact O-N 3.38Å; A108-L192 HydrophobicContact CB-CD1 3.67Å; A108-L192 HydrophobicContact CB-CD2 3.73Å; A108-L192 HydrophobicContact CB-CG 4.37Å; A108-F255 HydrophobicContact CB-CE1 4Å; A108-V256 HydrophobicContact CB-CG1 4.38Å |
| 109 | C | 95.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 25 Ų | 25 | 5% | 0.054 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.6 | -42 | 179.7 | -68 | 0 | 0 | 0 | 0 | 112.3 | R105 S106 V107 S113 K259 I260 | R105-C109 PolarHBondContact O-N 3.41Å; R105-C109 PolarHBondContact O-SG 3.2Å; S106-C109 PolarHBondContact O-N 2.88Å; V107-C109 PolarHBondContact O-N 3.24Å; C109-S113 PolarHBondContact O-N 2.98Å; C109-K259 HydrophobicContact CB-CB 4.27Å; C109-K259 VanDerWaalsContact SG-CB 3.55Å; C109-I260 HydrophobicContact CB-CG1 4.08Å |
| 110 | Q | 95.2 | Very high | 94.8 | Very high | 32 Ų | 32 | 24 Ų | 24 | 15% | 0.15 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.6 | -43.9 | 178.7 | -70.4 | -175.1 | 70.9 | 0 | 0 | 112.4 | N64 S106 V107 A108 S113 A114 G139 V141 | N64-Q110 WeakPolarHBondContact CB-O 3.42Å; N64-Q110 WeakPolarHBondContact ND2-CB 3.3Å; N64-Q110 PolarHBondContact ND2-OE1 2.78Å; S106-Q110 WeakPolarHBondContact O-CG 3.39Å; S106-Q110 PolarHBondContact O-N 3.41Å; S106-Q110 PolarHBondContact OG-NE2 3.49Å; V107-Q110 PolarHBondContact O-N 2.95Å; A108-Q110 VanDerWaalsContact C-N 3.31Å; A108-Q110 PolarHBondContact O-N 3.05Å; Q110-S113 PolarHBondContact O-N 3.32Å; Q110-A114 PolarHBondContact O-N 3.05Å; Q110-G139 PolarHBondContact NE2-O 3.45Å; Q110-V141 HydrophobicContact CB-CB 4.09Å |
| 111 | L | 96.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.2 | -36.7 | 177.1 | -68.9 | 175.8 | 0 | 0 | 0 | 112.6 | V107 A108 S113 A114 L115 M128 I133 V141 L188 | V107-L111 HydrophobicContact CG1-CD1 3.7Å; V107-L111 HydrophobicContact CG1-CG 4.21Å; V107-L111 WeakPolarHBondContact O-CG 3.2Å; V107-L111 PolarHBondContact O-N 3.33Å; A108-L111 PolarHBondContact O-N 2.87Å; L111-S113 VanDerWaalsContact C-N 3.32Å; L111-A114 PolarHBondContact O-N 3.28Å; L111-L115 WeakPolarHBondContact O-CB 3.45Å; L111-L115 WeakPolarHBondContact O-CG 3.36Å; L111-L115 PolarHBondContact O-N 2.92Å; L111-M128 HydrophobicContact CD2-CE 4.31Å; L111-I133 HydrophobicContact CD1-CD1 3.82Å; L111-I133 HydrophobicContact CD2-CD1 4.01Å; L111-I133 HydrophobicContact CD2-CG1 4.15Å; L111-I133 HydrophobicContact CD2-CG2 4.07Å; L111-V141 HydrophobicContact CD2-CG1 3.84Å; L111-V141 HydrophobicContact CG-CG1 4.2Å; L111-L188 HydrophobicContact CB-CD1 3.73Å; L111-L188 HydrophobicContact CD1-CD1 3.71Å; L111-L188 HydrophobicContact CG-CD1 4.4Å |
| 112 | V | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 174.1 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | A108 L115 Y116 L188 F232 W247 L250 L251 I260 | A108-V112 WeakPolarHBondContact O-CB 3.5Å; A108-V112 WeakPolarHBondContact O-CG2 3.31Å; A108-V112 PolarHBondContact O-N 3.38Å; V112-L115 PolarHBondContact O-N 3.38Å; V112-Y116 WeakPolarHBondContact O-CB 3.29Å; V112-Y116 PolarHBondContact O-N 3.21Å; V112-L188 HydrophobicContact CG2-CD2 3.73Å; V112-F232 HydrophobicContact CG2-CZ 4.45Å; V112-W247 HydrophobicContact CG1-CH2 3.7Å; V112-W247 HydrophobicContact CG1-CZ3 3.91Å; V112-L250 HydrophobicContact CG1-CD2 4.39Å; V112-L250 HydrophobicContact CG1-CG 4.43Å; V112-L251 HydrophobicContact CG1-CD2 4.05Å; V112-I260 HydrophobicContact CB-CD1 3.96Å; V112-I260 HydrophobicContact CG1-CD1 3.44Å; V112-I260 VanDerWaalsContact CG1-CD1 3.44Å; V112-I260 HydrophobicContact CG1-CG1 4.47Å |
| 113 | S | 94.3 | Very high | 94.6 | Very high | 8 Ų | 8 | 16.6 Ų | 16.6 | 6% | 0.056 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 173.6 | -170.7 | 0 | 0 | 0 | 0 | 111.9 | H62 C109 Q110 L111 L115 Y116 Y117 E261 | H62-S113 PolarHBondContact CE1-OG 3.15Å; H62-S113 PolarHBondContact NE2-OG 3.08Å; C109-S113 PolarHBondContact O-N 2.98Å; Q110-S113 PolarHBondContact O-N 3.32Å; L111-S113 VanDerWaalsContact C-N 3.32Å; S113-L115 PolarHBondContact O-N 2.82Å; S113-Y116 PolarHBondContact O-N 3.35Å; S113-Y117 PolarHBondContact O-N 2.82Å; S113-Y117 VanDerWaalsContact O-N 3.07Å; S113-E261 PolarHBondContact OG-O 2.95Å |
| 114 | A | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N64 I65 Q110 L111 Y117 L118 | N64-A114 HydrophobicContact CB-CB 3.99Å; I65-A114 HydrophobicContact CD1-CB 4.38Å; I65-A114 HydrophobicContact CG1-CB 3.92Å; Q110-A114 PolarHBondContact O-N 3.05Å; L111-A114 PolarHBondContact O-N 3.28Å; A114-Y117 WeakPolarHBondContact O-CB 3.42Å; A114-Y117 PolarHBondContact O-N 3.44Å; A114-L118 WeakPolarHBondContact O-CG 3.26Å; A114-L118 PolarHBondContact O-N 2.69Å |
| 115 | L | 95.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.4 | -37.3 | 179.2 | -76.6 | 178.2 | 0 | 0 | 0 | 112.8 | L111 V112 S113 Y117 L118 H119 M128 D184 L185 L188 W247 | L111-L115 WeakPolarHBondContact O-CB 3.45Å; L111-L115 WeakPolarHBondContact O-CG 3.36Å; L111-L115 PolarHBondContact O-N 2.92Å; V112-L115 PolarHBondContact O-N 3.38Å; S113-L115 PolarHBondContact O-N 2.82Å; L115-Y117 VanDerWaalsContact C-N 3.31Å; L115-Y117 PolarHBondContact O-N 3.32Å; L115-L118 HydrophobicContact CD2-CD1 4.41Å; L115-L118 PolarHBondContact O-N 2.85Å; L115-H119 WeakPolarHBondContact O-CB 3.44Å; L115-H119 PolarHBondContact O-N 2.94Å; L115-H119 PolarHBondContact O-ND1 3.47Å; L115-H119 VanDerWaalsContact O-ND1 3.17Å; L115-M128 HydrophobicContact CD1-CE 4.12Å; L115-M128 HydrophobicContact CD1-SD 3.82Å; L115-M128 HydrophobicContact CD2-CE 4.41Å; L115-M128 HydrophobicContact CD2-SD 3.64Å; L115-M128 HydrophobicContact CG-CE 4.34Å; L115-M128 HydrophobicContact CG-SD 4.08Å; L115-D184 HydrophobicContact CD2-CB 3.89Å; L115-L185 HydrophobicContact CD1-CD2 4.09Å; L115-L188 HydrophobicContact CD1-CB 4.2Å; L115-L188 HydrophobicContact CD1-CD2 4.13Å; L115-W247 HydrophobicContact CB-CZ2 4.32Å |
| 116 | Y | 94.7 | Very high | 94.5 | Very high | 13 Ų | 13 | 12.3 Ų | 12.3 | 5% | 0.051 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 173.5 | -170.2 | -88.9 | 0 | 0 | 0 | 110.8 | V112 S113 L118 H119 A120 W247 L251 I262 V266 R267 T274 | V112-Y116 WeakPolarHBondContact O-CB 3.29Å; V112-Y116 PolarHBondContact O-N 3.21Å; S113-Y116 PolarHBondContact O-N 3.35Å; Y116-L118 PolarHBondContact O-N 3.36Å; Y116-H119 PolarHBondContact O-N 3.29Å; Y116-A120 WeakPolarHBondContact O-CB 3.26Å; Y116-A120 PolarHBondContact O-N 3.01Å; Y116-W247 AromaticContact CD2-CD2 3.94Å; Y116-W247 HydrophobicContact CD2-CD2 3.94Å; Y116-W247 AromaticContact CD2-CE3 3.64Å; Y116-W247 HydrophobicContact CD2-CE3 3.64Å; Y116-W247 AromaticContact CD2-CH2 3.89Å; Y116-W247 HydrophobicContact CD2-CH2 3.89Å; Y116-W247 HydrophobicContact CD2-CZ2 4.22Å; Y116-W247 AromaticContact CD2-CZ3 3.63Å; Y116-W247 HydrophobicContact CD2-CZ3 3.63Å; Y116-W247 HydrophobicContact CE2-CD2 4.44Å; Y116-W247 HydrophobicContact CE2-CE3 4.18Å; Y116-W247 HydrophobicContact CG-CH2 4.34Å; Y116-W247 HydrophobicContact CG-CZ3 4.44Å; Y116-L251 HydrophobicContact CD2-CD1 3.97Å; Y116-L251 HydrophobicContact CE2-CD1 3.72Å; Y116-I262 HydrophobicContact CD1-CD1 3.83Å; Y116-I262 HydrophobicContact CD1-CG1 4.4Å; Y116-I262 HydrophobicContact CD1-CG2 3.62Å; Y116-I262 HydrophobicContact CD2-CD1 4.12Å; Y116-I262 HydrophobicContact CE1-CD1 4.07Å; Y116-I262 HydrophobicContact CE1-CG2 3.68Å; Y116-I262 HydrophobicContact CE2-CD1 4.35Å; Y116-I262 HydrophobicContact CG-CD1 3.84Å; Y116-V266 HydrophobicContact CD1-CG1 3.91Å; Y116-V266 HydrophobicContact CE1-CG1 4Å; Y116-R267 HydrophobicContact CE1-CG 4.39Å; Y116-T274 HydrophobicContact CD2-CG2 4.2Å; Y116-T274 HydrophobicContact CE2-CG2 4.09Å |
| 117 | Y | 94.5 | Very high | 94.5 | Very high | 23 Ų | 23 | 9.6 Ų | 9.6 | 9% | 0.09 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -58.1 | -47.8 | 176 | 177.8 | -91.3 | 0 | 0 | 0 | 112.5 | M60 H61 H62 I65 S113 A114 L115 N121 V266 | M60-Y117 WeakPolarHBondContact CA-OH 3.32Å; M60-Y117 HydrophobicContact CB-CE1 4.02Å; M60-Y117 HydrophobicContact CG-CE1 4.11Å; H61-Y117 PolarHBondContact N-OH 3.07Å; H61-Y117 WeakPolarHBondContact O-CE2 3.32Å; H61-Y117 PolarHBondContact O-OH 2.98Å; H62-Y117 HydrophobicContact CB-CD1 4.01Å; H62-Y117 HydrophobicContact CB-CD2 4.26Å; H62-Y117 HydrophobicContact CB-CE1 4.21Å; H62-Y117 HydrophobicContact CB-CE2 4.45Å; H62-Y117 HydrophobicContact CB-CG 4.04Å; H62-Y117 AromaticContact CD2-CD2 3.73Å; H62-Y117 AromaticContact CD2-CG 3.7Å; H62-Y117 AromaticContact CG-CG 4Å; I65-Y117 HydrophobicContact CD1-CD1 3.57Å; I65-Y117 HydrophobicContact CD1-CE1 4.15Å; I65-Y117 HydrophobicContact CD1-CG 4.44Å; S113-Y117 PolarHBondContact O-N 2.82Å; S113-Y117 VanDerWaalsContact O-N 3.07Å; A114-Y117 WeakPolarHBondContact O-CB 3.42Å; A114-Y117 PolarHBondContact O-N 3.44Å; L115-Y117 VanDerWaalsContact C-N 3.31Å; L115-Y117 PolarHBondContact O-N 3.32Å; Y117-N121 PolarHBondContact O-N 2.91Å; Y117-N121 VanDerWaalsContact O-N 3.15Å; Y117-N121 PolarHBondContact O-ND2 3.28Å; Y117-V266 HydrophobicContact CD2-CG1 4.22Å; Y117-V266 HydrophobicContact CD2-CG2 3.56Å; Y117-V266 HydrophobicContact CE2-CG2 3.86Å |
| 118 | L | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -62.4 | -50.8 | 178.7 | -69.8 | 177.9 | 0 | 0 | 0 | 111.8 | M60 I65 A114 L115 Y116 A120 N121 R122 I123 H125 L143 F146 | M60-L118 HydrophobicContact SD-CD2 3.28Å; M60-L118 WeakPolarHBondContact SD-CD2 3.39Å; I65-L118 HydrophobicContact CD1-CD1 4.4Å; I65-L118 HydrophobicContact CD1-CD2 3.78Å; I65-L118 HydrophobicContact CD1-CG 3.85Å; A114-L118 WeakPolarHBondContact O-CG 3.26Å; A114-L118 PolarHBondContact O-N 2.69Å; L115-L118 HydrophobicContact CD2-CD1 4.41Å; L115-L118 PolarHBondContact O-N 2.85Å; Y116-L118 PolarHBondContact O-N 3.36Å; L118-A120 VanDerWaalsContact C-N 3.33Å; L118-A120 PolarHBondContact O-N 3.38Å; L118-N121 CarbonylContact O-C 3.56Å; L118-N121 WeakPolarHBondContact O-CA 3.38Å; L118-N121 PolarHBondContact O-N 3.02Å; L118-N121 VanDerWaalsContact O-N 3.08Å; L118-R122 PolarHBondContact O-N 3.5Å; L118-R122 VanDerWaalsContact O-N 3.1Å; L118-I123 CarbonylContact C-O 3.44Å; L118-I123 VanDerWaalsContact C-O 3.32Å; L118-I123 HydrophobicContact CB-CB 4.36Å; L118-I123 HydrophobicContact CD2-CB 4.16Å; L118-I123 HydrophobicContact CD2-CD1 4.43Å; L118-I123 HydrophobicContact CD2-CG2 4Å; L118-I123 PolarHBondContact O-N 2.88Å; L118-H125 HydrophobicContact CD1-CB 4.32Å; L118-L143 HydrophobicContact CD1-CD2 3.89Å; L118-F146 HydrophobicContact CD1-CE1 3.98Å; L118-F146 HydrophobicContact CD1-CZ 4.44Å; L118-F146 HydrophobicContact CD2-CE1 3.79Å; L118-F146 HydrophobicContact CD2-CZ 4.38Å |
| 119 | H | 94.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.3 | -33.4 | -178.5 | -60.8 | 155 | 0 | 0 | 0 | 112.6 | L115 Y116 N121 R122 I123 H181 D184 W247 S271 L273 T274 | L115-H119 WeakPolarHBondContact O-CB 3.44Å; L115-H119 PolarHBondContact O-N 2.94Å; L115-H119 PolarHBondContact O-ND1 3.47Å; L115-H119 VanDerWaalsContact O-ND1 3.17Å; Y116-H119 PolarHBondContact O-N 3.29Å; H119-N121 VanDerWaalsContact C-N 3.29Å; H119-N121 PolarHBondContact O-N 3.5Å; H119-R122 WeakPolarHBondContact O-CA 3.27Å; H119-R122 PolarHBondContact O-N 2.79Å; H119-I123 PolarHBondContact CD2-O 3.24Å; H119-H181 AromaticContact ND1-CD2 3.84Å; H119-D184 IonicContact NE2-OD2 3.21Å; H119-D184 PolarHBondContact NE2-OD2 3.45Å; H119-W247 AromaticContact ND1-CE2 3.82Å; H119-W247 AromaticContact ND1-CZ2 3.87Å; H119-W247 AromaticContact ND1-NE1 3.18Å; H119-W247 PolarHBondContact ND1-NE1 3.22Å; H119-W247 VanDerWaalsContact ND1-NE1 3.18Å; H119-S271 PolarHBondContact O-OG 3.32Å; H119-L273 HydrophobicContact CB-CB 4.32Å; H119-T274 HydrophobicContact CB-CG2 3.71Å |
| 120 | A | 92.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 10.7 Ų | 10.7 | 4% | 0.041 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.3 | -34.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y116 L118 R122 V266 L269 S271 T274 | Y116-A120 WeakPolarHBondContact O-CB 3.26Å; Y116-A120 PolarHBondContact O-N 3.01Å; L118-A120 VanDerWaalsContact C-N 3.33Å; L118-A120 PolarHBondContact O-N 3.38Å; A120-R122 PolarHBondContact O-N 2.92Å; A120-V266 HydrophobicContact CB-CG1 3.72Å; A120-L269 HydrophobicContact CB-CB 4.4Å; A120-L269 HydrophobicContact CB-CD1 4.14Å; A120-S271 VanDerWaalsContact O-CB 3.3Å; A120-S271 WeakPolarHBondContact O-CB 3.46Å; A120-T274 HydrophobicContact CB-CG2 4.15Å |
| 121 | N | 90.9 | Very high | 94.2 | Very high | 56 Ų | 56 | 12.1 Ų | 12.1 | 30% | 0.299 | 6% | 0.057 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 9.4 | 171.6 | -72.1 | -74.3 | 0 | 0 | 0 | 113.5 | Y117 L118 H119 I123 | Y117-N121 PolarHBondContact O-N 2.91Å; Y117-N121 VanDerWaalsContact O-N 3.15Å; Y117-N121 PolarHBondContact O-ND2 3.28Å; L118-N121 CarbonylContact O-C 3.56Å; L118-N121 WeakPolarHBondContact O-CA 3.38Å; L118-N121 PolarHBondContact O-N 3.02Å; L118-N121 VanDerWaalsContact O-N 3.08Å; H119-N121 VanDerWaalsContact C-N 3.29Å; H119-N121 PolarHBondContact O-N 3.5Å; N121-I123 HydrophobicContact CB-CD1 3.99Å; N121-I123 HydrophobicContact CB-CG1 4.29Å; N121-I123 PolarHBondContact O-N 3.46Å |
| 122 | R | 92.1 | Very high | 94 | Very high | 12 Ų | 12 | 12.6 Ų | 12.6 | 5% | 0.045 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 30 | -178.2 | -55.8 | -176.6 | 68.7 | 118.5 | 7 | 113.9 | L118 H119 A120 M152 G153 W154 T156 L273 | L118-R122 PolarHBondContact O-N 3.5Å; L118-R122 VanDerWaalsContact O-N 3.1Å; H119-R122 WeakPolarHBondContact O-CA 3.27Å; H119-R122 PolarHBondContact O-N 2.79Å; A120-R122 PolarHBondContact O-N 2.92Å; R122-M152 HydrophobicContact CB-CB 4.22Å; R122-M152 PolarHBondContact NE-O 3.45Å; R122-M152 WeakPolarHBondContact O-CB 3.47Å; R122-M152 PolarHBondContact O-N 3.41Å; R122-G153 PolarHBondContact NH2-O 3.34Å; R122-W154 PolarHBondContact NH1-O 2.74Å; R122-W154 PolarHBondContact NH2-O 3.37Å; R122-T156 PolarHBondContact NH2-O 2.97Å; R122-L273 HydrophobicContact CB-CD1 4.36Å |
| 123 | I | 93.2 | Very high | 94 | Very high | 5 Ų | 5 | 12.6 Ų | 12.6 | 3% | 0.026 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.4 | 176.9 | -59.3 | 165.7 | 0 | 0 | 0 | 108.8 | I56 M60 L118 H119 N121 A149 R150 V151 | I56-I123 HydrophobicContact CG2-CD1 4.2Å; I56-I123 HydrophobicContact CG2-CG2 4.25Å; M60-I123 HydrophobicContact CG-CD1 4.11Å; M60-I123 HydrophobicContact SD-CD1 4.05Å; L118-I123 CarbonylContact C-O 3.44Å; L118-I123 VanDerWaalsContact C-O 3.32Å; L118-I123 HydrophobicContact CB-CB 4.36Å; L118-I123 HydrophobicContact CD2-CB 4.16Å; L118-I123 HydrophobicContact CD2-CD1 4.43Å; L118-I123 HydrophobicContact CD2-CG2 4Å; L118-I123 PolarHBondContact O-N 2.88Å; H119-I123 PolarHBondContact CD2-O 3.24Å; N121-I123 HydrophobicContact CB-CD1 3.99Å; N121-I123 HydrophobicContact CB-CG1 4.29Å; N121-I123 PolarHBondContact O-N 3.46Å; I123-A149 HydrophobicContact CG2-CB 4.32Å; I123-R150 WeakPolarHBondContact CA-O 3.37Å; I123-V151 HydrophobicContact CG1-CG2 4.28Å |
| 124 | L | 94.2 | Very high | 94 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137 | 168.4 | -82.2 | 59.7 | 0 | 0 | 0 | 108.9 | R126 A149 R150 M152 L159 Y179 H181 D184 L273 | L124-R126 HydrophobicContact CB-CG 3.75Å; L124-A149 CarbonylContact O-C 3.6Å; L124-A149 WeakPolarHBondContact O-CA 3.42Å; L124-R150 PolarHBondContact N-O 3.5Å; L124-R150 PolarHBondContact O-N 3.01Å; L124-M152 HydrophobicContact CD1-CG 3.55Å; L124-M152 HydrophobicContact CD1-SD 4.43Å; L124-M152 HydrophobicContact CD2-SD 4.49Å; L124-L159 HydrophobicContact CD2-CD1 4.01Å; L124-Y179 HydrophobicContact CD2-CE2 4.46Å; L124-H181 HydrophobicContact CD1-CB 4.06Å; L124-H181 HydrophobicContact CG-CB 4.24Å; L124-D184 WeakPolarHBondContact CA-OD2 3.48Å; L124-L273 HydrophobicContact CD1-CD1 3.98Å |
| 125 | H | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -78.4 | -52.6 | -179.5 | -170.9 | -85 | 0 | 0 | 0 | 112 | L118 D127 M128 C144 D145 F146 F148 D184 | L118-H125 HydrophobicContact CD1-CB 4.32Å; H125-D127 PolarHBondContact CE1-O 2.91Å; H125-D127 VanDerWaalsContact ND1-C 3.32Å; H125-D127 PolarHBondContact ND1-N 2.91Å; H125-D127 PolarHBondContact O-N 3.03Å; H125-D127 VanDerWaalsContact O-N 3.16Å; H125-M128 HydrophobicContact CB-CG 4.08Å; H125-M128 PolarHBondContact ND1-N 3.4Å; H125-C144 PolarHBondContact NE2-O 3.2Å; H125-C144 VanDerWaalsContact NE2-O 3.08Å; H125-D145 PolarHBondContact NE2-O 3.26Å; H125-F146 AromaticContact CD2-CD1 3.98Å; H125-F146 AromaticContact CD2-CE1 3.65Å; H125-F146 AromaticContact CD2-CZ 3.98Å; H125-F148 CarbonylContact O-C 3.58Å; H125-D184 PolarHBondContact N-OD2 3.39Å | ||
| 126 | R | 93.7 | Very high | 93.4 | Very high | 28 Ų | 28 | 15.8 Ų | 15.8 | 11% | 0.106 | 8% | 0.078 | C | C | . | . | trans | 67.9 | -3.3 | 173.9 | -46.2 | -170.3 | -64.6 | 168 | 3.5 | 118 | L124 F148 S161 K163 G164 Y179 D184 | L124-R126 HydrophobicContact CB-CG 3.75Å; R126-F148 HydrophobicContact CB-CB 4.48Å; R126-F148 PolarHBondContact NE-O 3.24Å; R126-F148 PolarHBondContact NH2-O 2.76Å; R126-S161 PolarHBondContact NH1-OG 3.22Å; R126-K163 CarbonylContact O-C 3.52Å; R126-G164 WeakPolarHBondContact O-CA 3.33Å; R126-Y179 VanDerWaalsContact CD-OH 3.31Å; R126-Y179 WeakPolarHBondContact CD-OH 3.34Å; R126-Y179 PolarHBondContact NH1-OH 3.33Å; R126-D184 WeakPolarHBondContact CA-OD1 3.49Å; R126-D184 PolarHBondContact N-OD1 3.47Å | ||
| 127 | D | 94.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.011 | 11% | 0.107 | C | C | . | . | trans | -137.9 | 47.9 | 169.2 | -166 | 38.4 | 0 | 0 | 0 | 112.3 | H125 K129 N132 F148 G164 T165 | H125-D127 PolarHBondContact CE1-O 2.91Å; H125-D127 VanDerWaalsContact ND1-C 3.32Å; H125-D127 PolarHBondContact ND1-N 2.91Å; H125-D127 PolarHBondContact O-N 3.03Å; H125-D127 VanDerWaalsContact O-N 3.16Å; D127-K129 PolarHBondContact O-N 3.01Å; D127-K129 IonicContact OD1-NZ 3.65Å; D127-K129 IonicContact OD2-NZ 3.65Å; D127-K129 PolarHBondContact OD2-NZ 3.4Å; D127-N132 PolarHBondContact O-ND2 2.99Å; D127-N132 PolarHBondContact OD2-ND2 3.46Å; D127-F148 HydrophobicContact CB-CB 4.14Å; D127-F148 HydrophobicContact CB-CD2 3.38Å; D127-F148 HydrophobicContact CB-CE2 4.15Å; D127-F148 HydrophobicContact CB-CG 4.13Å; D127-G164 VanDerWaalsContact OD1-C 3.31Å; D127-G164 VanDerWaalsContact OD1-CA 3.26Å; D127-G164 WeakPolarHBondContact OD1-CA 3.5Å; D127-T165 PolarHBondContact OD1-N 2.91Å; D127-T165 PolarHBondContact OD1-OG1 3.19Å | ||
| 128 | M | 95.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | trans | -70 | 125 | 171.8 | -68.5 | -170.4 | 75.9 | 0 | 0 | 110 | L111 L115 H125 L143 Y168 D184 A187 I191 | L111-M128 HydrophobicContact CD2-CE 4.31Å; L115-M128 HydrophobicContact CD1-CE 4.12Å; L115-M128 HydrophobicContact CD1-SD 3.82Å; L115-M128 HydrophobicContact CD2-CE 4.41Å; L115-M128 HydrophobicContact CD2-SD 3.64Å; L115-M128 HydrophobicContact CG-CE 4.34Å; L115-M128 HydrophobicContact CG-SD 4.08Å; H125-M128 HydrophobicContact CB-CG 4.08Å; H125-M128 PolarHBondContact ND1-N 3.4Å; M128-L143 HydrophobicContact CE-CD1 4.15Å; M128-L143 HydrophobicContact CE-CD2 4.42Å; M128-L143 HydrophobicContact CG-CD1 4.24Å; M128-Y168 WeakPolarHBondContact O-CB 3.32Å; M128-D184 HydrophobicContact SD-CB 4.25Å; M128-A187 HydrophobicContact CB-CB 3.82Å; M128-I191 HydrophobicContact CB-CD1 3.9Å; M128-I191 HydrophobicContact CE-CD1 4.39Å | ||
| 129 | K | 94.6 | Very high | 91.6 | Very high | 35 Ų | 35 | 31 Ų | 31 | 15% | 0.152 | 17% | 0.168 | C | C | . | . | trans | -157.4 | 161 | 177.2 | 62.3 | -166.6 | -174.6 | -148.6 | 0 | 109.2 | D127 Q131 N132 T165 Y168 | D127-K129 PolarHBondContact O-N 3.01Å; D127-K129 IonicContact OD1-NZ 3.65Å; D127-K129 IonicContact OD2-NZ 3.65Å; D127-K129 PolarHBondContact OD2-NZ 3.4Å; K129-Q131 HydrophobicContact CG-CB 4.3Å; K129-Q131 VanDerWaalsContact CG-OE1 3.29Å; K129-Q131 PolarHBondContact O-N 2.9Å; K129-N132 WeakPolarHBondContact CE-ND2 3.28Å; K129-N132 WeakPolarHBondContact CE-OD1 3.35Å; K129-N132 HydrophobicContact CG-CB 3.99Å; K129-N132 PolarHBondContact O-N 3.26Å; K129-T165 VanDerWaalsContact CD-OG1 3.31Å; K129-T165 WeakPolarHBondContact CD-OG1 3.44Å; K129-T165 PolarHBondContact NZ-OG1 2.86Å; K129-Y168 HydrophobicContact CB-CD2 3.62Å; K129-Y168 HydrophobicContact CB-CE2 3.56Å; K129-Y168 HydrophobicContact CB-CG 4.27Å | ||
| 130 | P | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -55.3 | -35.3 | -178.4 | -26.9 | 36 | 0 | 0 | 0 | 114.1 | L89 F90 I93 N132 I133 Y168 I191 E194 | L89-P130 HydrophobicContact CB-CB 4.13Å; L89-P130 PolarHBondContact N-O 2.93Å; F90-P130 HydrophobicContact CB-CB 3.91Å; I93-P130 HydrophobicContact CD1-CB 3.87Å; I93-P130 HydrophobicContact CD1-CG 3.89Å; P130-N132 PolarHBondContact O-N 3.42Å; P130-I133 PolarHBondContact O-N 2.81Å; P130-Y168 WeakPolarHBondContact CD-OH 3.43Å; P130-Y168 HydrophobicContact CG-CE1 4.31Å; P130-I191 HydrophobicContact CG-CG1 4.48Å; P130-E194 WeakPolarHBondContact CG-OE2 3.44Å |
| 131 | Q | 91.5 | Very high | 91.6 | Very high | 63 Ų | 63 | 33 Ų | 33 | 29% | 0.294 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -65.3 | -22.8 | 176.7 | -58.7 | 82.4 | -0.1 | 0 | 0 | 113.4 | F90 K129 | F90-Q131 HydrophobicContact CB-CB 4.43Å; F90-Q131 HydrophobicContact CB-CG 3.69Å; F90-Q131 HydrophobicContact CD1-CG 4.15Å; F90-Q131 HydrophobicContact CD2-CG 4.27Å; F90-Q131 VanDerWaalsContact CE2-NE2 3.31Å; F90-Q131 HydrophobicContact CG-CG 3.78Å; K129-Q131 HydrophobicContact CG-CB 4.3Å; K129-Q131 VanDerWaalsContact CG-OE1 3.29Å; K129-Q131 PolarHBondContact O-N 2.9Å |
| 132 | N | 93.8 | Very high | 91.7 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.053 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -97 | 10.8 | -179.9 | -72.9 | -1.4 | 0 | 0 | 0 | 112.2 | D127 K129 P130 C144 D145 | D127-N132 PolarHBondContact O-ND2 2.99Å; D127-N132 PolarHBondContact OD2-ND2 3.46Å; K129-N132 WeakPolarHBondContact CE-ND2 3.28Å; K129-N132 WeakPolarHBondContact CE-OD1 3.35Å; K129-N132 HydrophobicContact CG-CB 3.99Å; K129-N132 PolarHBondContact O-N 3.26Å; P130-N132 PolarHBondContact O-N 3.42Å; N132-C144 PolarHBondContact O-N 3.48Å; N132-C144 PolarHBondContact O-SG 3.26Å; N132-C144 VanDerWaalsContact O-SG 3.37Å; N132-D145 HydrophobicContact CB-CB 4.46Å |
| 133 | I | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 100.1 | 179.6 | -61.9 | 167.9 | 0 | 0 | 0 | 108.2 | D88 L89 L111 P130 V141 L143 I191 | D88-I133 CarbonylContact C-O 3.58Å; D88-I133 WeakPolarHBondContact CA-O 3.47Å; L89-I133 HydrophobicContact CB-CB 4.41Å; L89-I133 HydrophobicContact CD1-CB 3.78Å; L89-I133 HydrophobicContact CD1-CD1 4.15Å; L89-I133 HydrophobicContact CD1-CG2 3.33Å; L89-I133 HydrophobicContact CG-CB 4.11Å; L89-I133 HydrophobicContact CG-CG2 3.78Å; L89-I133 PolarHBondContact N-O 3.06Å; L111-I133 HydrophobicContact CD1-CD1 3.82Å; L111-I133 HydrophobicContact CD2-CD1 4.01Å; L111-I133 HydrophobicContact CD2-CG1 4.15Å; L111-I133 HydrophobicContact CD2-CG2 4.07Å; P130-I133 PolarHBondContact O-N 2.81Å; I133-V141 HydrophobicContact CG2-CG1 3.16Å; I133-L143 HydrophobicContact CG1-CD1 4.01Å; I133-I191 HydrophobicContact CD1-CD1 3.8Å; I133-I191 HydrophobicContact CD1-CG2 3.97Å |
| 134 | L | 93.8 | Very high | 91.8 | Very high | 37 Ų | 37 | 31.7 Ų | 31.7 | 19% | 0.194 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 156.1 | -175.7 | -52.8 | -179.1 | 0 | 0 | 0 | 111.6 | I66 A85 G87 D88 V141 K142 C144 | I66-L134 HydrophobicContact CD1-CD1 4.03Å; I66-L134 HydrophobicContact CG1-CD1 4.47Å; A85-L134 HydrophobicContact CB-CB 3.55Å; A85-L134 HydrophobicContact CB-CD1 3.95Å; A85-L134 HydrophobicContact CB-CG 4.3Å; G87-L134 CarbonylContact O-C 3.58Å; G87-L134 WeakPolarHBondContact O-CA 3.36Å; D88-L134 HydrophobicContact CB-CD2 3.9Å; L134-V141 WeakPolarHBondContact O-CA 3.27Å; L134-K142 HydrophobicContact CB-CB 4.48Å; L134-K142 PolarHBondContact N-O 3.32Å; L134-K142 PolarHBondContact O-N 3.32Å; L134-C144 HydrophobicContact CD1-CB 3.75Å; L134-C144 HydrophobicContact CG-CB 4.02Å; L134-C144 VanDerWaalsContact CG-SG 3.53Å |
| 135 | L | 91.7 | Very high | 91.5 | Very high | 28 Ų | 28 | 33.3 Ų | 33.3 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 111.3 | 177.6 | -63.1 | 168 | 0 | 0 | 0 | 109.3 | A85 E86 G87 L89 I92 V141 | A85-L135 WeakPolarHBondContact CB-O 3.03Å; E86-L135 PolarHBondContact N-O 2.95Å; G87-L135 PolarHBondContact O-N 3.07Å; L89-L135 HydrophobicContact CD2-CD1 4.21Å; L89-L135 HydrophobicContact CD2-CD2 3.86Å; L89-L135 HydrophobicContact CD2-CG 4.31Å; L89-L135 HydrophobicContact CG-CD2 4.43Å; I92-L135 HydrophobicContact CD1-CD1 3.15Å; I92-L135 HydrophobicContact CG1-CD1 3.65Å; L135-V141 HydrophobicContact CD2-CG2 4.15Å |
| 136 | G | 86 | Confident | 91.3 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 11% | 0.113 | 18% | 0.182 | C | C | . | . | trans | -80.1 | -173.7 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | V140 | G136-V140 PolarHBondContact N-O 3.17Š| ||
| 137 | Q | 80.2 | Confident | 90.8 | Very high | 142 Ų | 142 | 34 Ų | 34 | 66% | 0.664 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -57.9 | 148.6 | 173.1 | -68.8 | 178.7 | -14.7 | 0 | 0 | 111.1 | G139 V140 | Q137-G139 PolarHBondContact O-N 3.39Å; Q137-G139 VanDerWaalsContact O-N 3.14Å; Q137-V140 WeakPolarHBondContact O-CG2 3.49Å; Q137-V140 PolarHBondContact O-N 2.94Å |
| 138 | D | 82.9 | Confident | 90.3 | Very high | 169 Ų | 169 | 36.6 Ų | 36.6 | 90% | 0.904 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | 58.4 | 23.4 | 176.8 | -53.9 | -37.5 | 0 | 0 | 0 | 115.3 | ||
| 139 | G | 83.7 | Confident | 89.9 | Confident | 45 Ų | 45 | 37.1 Ų | 37.1 | 46% | 0.464 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | 77.4 | 19.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q110 Q137 V141 | Q110-G139 PolarHBondContact NE2-O 3.45Å; Q137-G139 PolarHBondContact O-N 3.39Å; Q137-G139 VanDerWaalsContact O-N 3.14Å; G139-V141 PolarHBondContact O-N 3.28Å |
| 140 | V | 91.8 | Very high | 89.7 | Confident | 45 Ų | 45 | 40.4 Ų | 40.4 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | trans | -70 | 120.4 | 173 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | T63 G136 Q137 K142 | T63-V140 HydrophobicContact CG2-CG1 4.33Å; G136-V140 PolarHBondContact N-O 3.17Å; Q137-V140 WeakPolarHBondContact O-CG2 3.49Å; Q137-V140 PolarHBondContact O-N 2.94Å; V140-K142 HydrophobicContact CG1-CG 4.42Å | ||
| 141 | V | 94.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129 | 179.6 | 179 | 0 | 0 | 0 | 0 | 109.6 | N64 V107 Q110 L111 I133 L134 L135 G139 | N64-V141 WeakPolarHBondContact CA-O 3.4Å; N64-V141 VanDerWaalsContact CB-O 3.32Å; N64-V141 WeakPolarHBondContact CB-O 3.4Å; N64-V141 PolarHBondContact ND2-O 2.95Å; V107-V141 HydrophobicContact CB-CG2 4.45Å; V107-V141 HydrophobicContact CG1-CG2 4.35Å; V107-V141 HydrophobicContact CG2-CG2 4.03Å; Q110-V141 HydrophobicContact CB-CB 4.09Å; L111-V141 HydrophobicContact CD2-CG1 3.84Å; L111-V141 HydrophobicContact CG-CG1 4.2Å; I133-V141 HydrophobicContact CG2-CG1 3.16Å; L134-V141 WeakPolarHBondContact O-CA 3.27Å; L135-V141 HydrophobicContact CD2-CG2 4.15Å; G139-V141 PolarHBondContact O-N 3.28Å |
| 142 | K | 94.7 | Very high | 89.3 | Confident | 30 Ų | 30 | 41.4 Ų | 41.4 | 13% | 0.13 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 117.2 | 178.8 | -74.7 | 179.2 | 172.2 | -95.1 | 0 | 111.3 | T63 N64 I66 D83 L134 V140 | T63-K142 PolarHBondContact O-NZ 3.04Å; N64-K142 WeakPolarHBondContact O-CA 3.43Å; I66-K142 HydrophobicContact CD1-CB 4.42Å; I66-K142 HydrophobicContact CD1-CD 3.98Å; D83-K142 IonicContact OD2-NZ 3.85Å; D83-K142 PolarHBondContact OD2-NZ 2.97Å; L134-K142 HydrophobicContact CB-CB 4.48Å; L134-K142 PolarHBondContact N-O 3.32Å; L134-K142 PolarHBondContact O-N 3.32Å; V140-K142 HydrophobicContact CG1-CG 4.42Å |
| 143 | L | 95.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 132.1 | 172.3 | -174.2 | 63.9 | 0 | 0 | 0 | 110.5 | N64 I66 L118 M128 I133 | N64-L143 PolarHBondContact O-N 3.12Å; I66-L143 PolarHBondContact N-O 2.93Å; L118-L143 HydrophobicContact CD1-CD2 3.89Å; M128-L143 HydrophobicContact CE-CD1 4.15Å; M128-L143 HydrophobicContact CE-CD2 4.42Å; M128-L143 HydrophobicContact CG-CD1 4.24Å; I133-L143 HydrophobicContact CG1-CD1 4.01Å |
| 144 | C | 92.1 | Very high | 88.1 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 11% | 0.108 | 28% | 0.284 | C | S | . | . | trans | -131.9 | 179.7 | 179.9 | 75.4 | 0 | 0 | 0 | 0 | 112.7 | I66 H125 N132 L134 | I66-C144 HydrophobicContact CB-CB 4.03Å; I66-C144 HydrophobicContact CG2-CB 3.62Å; H125-C144 PolarHBondContact NE2-O 3.2Å; H125-C144 VanDerWaalsContact NE2-O 3.08Å; N132-C144 PolarHBondContact O-N 3.48Å; N132-C144 PolarHBondContact O-SG 3.26Å; N132-C144 VanDerWaalsContact O-SG 3.37Å; L134-C144 HydrophobicContact CD1-CB 3.75Å; L134-C144 HydrophobicContact CG-CB 4.02Å; L134-C144 VanDerWaalsContact CG-SG 3.53Å | ||
| 145 | D | 87.2 | Confident | 87.4 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | trans | 65.2 | 76.6 | 175.7 | -163.6 | 18.1 | 0 | 0 | 0 | 115.3 | H125 N132 G147 | H125-D145 PolarHBondContact NE2-O 3.26Å; N132-D145 HydrophobicContact CB-CB 4.46Å; D145-G147 VanDerWaalsContact C-N 3.28Å; D145-G147 PolarHBondContact O-N 2.81Å | ||
| 146 | F | 89.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.009 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -88.9 | 16.7 | -178.4 | -69.6 | -95.1 | 0 | 0 | 0 | 113.3 | E53 M57 M60 I65 L118 H125 F148 A149 | E53-F146 HydrophobicContact CG-CB 4.38Å; M57-F146 HydrophobicContact CE-CD2 4.3Å; M57-F146 HydrophobicContact CG-CB 3.92Å; M57-F146 HydrophobicContact CG-CD2 3.91Å; M57-F146 HydrophobicContact CG-CG 4.09Å; M57-F146 HydrophobicContact SD-CB 4.33Å; M57-F146 HydrophobicContact SD-CD2 4.24Å; M60-F146 HydrophobicContact CE-CD1 3.58Å; M60-F146 HydrophobicContact CE-CD2 3.81Å; M60-F146 HydrophobicContact CE-CE1 3.47Å; M60-F146 VanDerWaalsContact CE-CE1 3.47Å; M60-F146 HydrophobicContact CE-CE2 3.69Å; M60-F146 HydrophobicContact CE-CG 3.77Å; M60-F146 HydrophobicContact CE-CZ 3.54Å; M60-F146 HydrophobicContact SD-CD1 4.19Å; M60-F146 HydrophobicContact SD-CE1 3.71Å; M60-F146 HydrophobicContact SD-CZ 4.03Å; I65-F146 HydrophobicContact CG2-CE2 3.75Å; I65-F146 HydrophobicContact CG2-CZ 3.57Å; L118-F146 HydrophobicContact CD1-CE1 3.98Å; L118-F146 HydrophobicContact CD1-CZ 4.44Å; L118-F146 HydrophobicContact CD2-CE1 3.79Å; L118-F146 HydrophobicContact CD2-CZ 4.38Å; H125-F146 AromaticContact CD2-CD1 3.98Å; H125-F146 AromaticContact CD2-CE1 3.65Å; H125-F146 AromaticContact CD2-CZ 3.98Å; F146-F148 PolarHBondContact O-N 2.79Å; F146-F148 VanDerWaalsContact O-N 3.11Å; F146-A149 HydrophobicContact CB-CB 3.81Å; F146-A149 HydrophobicContact CD1-CB 3.75Å; F146-A149 HydrophobicContact CG-CB 4.28Å; F146-A149 WeakPolarHBondContact O-CB 3.3Å; F146-A149 PolarHBondContact O-N 3.27Å |
| 147 | G | 83.3 | Confident | 86.9 | Confident | 40 Ų | 40 | 57.5 Ų | 57.5 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -60.7 | -21.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D145 | D145-G147 VanDerWaalsContact C-N 3.28Å; D145-G147 PolarHBondContact O-N 2.81Å |
| 148 | F | 83.7 | Confident | 87.1 | Confident | 57 Ų | 57 | 51 Ų | 51 | 25% | 0.25 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -103.2 | 1.3 | 171.7 | -63.2 | -63.6 | 0 | 0 | 0 | 113.9 | H125 R126 D127 F146 K163 | H125-F148 CarbonylContact O-C 3.58Å; R126-F148 HydrophobicContact CB-CB 4.48Å; R126-F148 PolarHBondContact NE-O 3.24Å; R126-F148 PolarHBondContact NH2-O 2.76Å; D127-F148 HydrophobicContact CB-CB 4.14Å; D127-F148 HydrophobicContact CB-CD2 3.38Å; D127-F148 HydrophobicContact CB-CE2 4.15Å; D127-F148 HydrophobicContact CB-CG 4.13Å; F146-F148 PolarHBondContact O-N 2.79Å; F146-F148 VanDerWaalsContact O-N 3.11Å; F148-K163 HydrophobicContact CB-CB 4.3Å; F148-K163 HydrophobicContact CD1-CB 3.9Å; F148-K163 HydrophobicContact CD1-CD 3.61Å; F148-K163 HydrophobicContact CD1-CG 4.03Å; F148-K163 HydrophobicContact CE1-CD 3.8Å; F148-K163 HydrophobicContact CG-CB 4.29Å |
| 149 | A | 89 | Confident | 87.3 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | trans | -65.4 | 154.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I56 I123 L124 F146 | I56-A149 HydrophobicContact CD1-CB 4.35Å; I56-A149 HydrophobicContact CG2-CB 4.46Å; I123-A149 HydrophobicContact CG2-CB 4.32Å; L124-A149 CarbonylContact O-C 3.6Å; L124-A149 WeakPolarHBondContact O-CA 3.42Å; F146-A149 HydrophobicContact CB-CB 3.81Å; F146-A149 HydrophobicContact CD1-CB 3.75Å; F146-A149 HydrophobicContact CG-CB 4.28Å; F146-A149 WeakPolarHBondContact O-CB 3.3Å; F146-A149 PolarHBondContact O-N 3.27Å | ||
| 150 | R | 88.9 | Confident | 87.2 | Confident | 105 Ų | 105 | 44.7 Ų | 44.7 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 127.3 | 177.9 | -170.2 | 69.3 | 176.4 | -175.6 | 3.5 | 111.1 | I123 L124 L159 | I123-R150 WeakPolarHBondContact CA-O 3.37Å; L124-R150 PolarHBondContact N-O 3.5Å; L124-R150 PolarHBondContact O-N 3.01Å; R150-L159 HydrophobicContact CB-CD1 4.3Å; R150-L159 HydrophobicContact CG-CD1 4.17Å |
| 151 | V | 90.2 | Very high | 86.7 | Confident | 78 Ų | 78 | 44.7 Ų | 44.7 | 47% | 0.473 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 123 | 166.2 | -171.5 | 0 | 0 | 0 | 0 | 109 | I56 I123 | I56-V151 HydrophobicContact CD1-CG2 3.96Å; I56-V151 HydrophobicContact CG1-CG2 3.79Å; I123-V151 HydrophobicContact CG1-CG2 4.28Å |
| 152 | M | 87.7 | Confident | 86.1 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.025 | 26% | 0.26 | C | S | . | . | trans | -86.1 | 114.8 | 176.9 | -63.3 | -68.3 | -79.1 | 0 | 0 | 109.6 | R122 L124 T156 L159 L273 | R122-M152 HydrophobicContact CB-CB 4.22Å; R122-M152 PolarHBondContact NE-O 3.45Å; R122-M152 WeakPolarHBondContact O-CB 3.47Å; R122-M152 PolarHBondContact O-N 3.41Å; L124-M152 HydrophobicContact CD1-CG 3.55Å; L124-M152 HydrophobicContact CD1-SD 4.43Å; L124-M152 HydrophobicContact CD2-SD 4.49Å; M152-T156 HydrophobicContact CE-CG2 3.79Å; M152-T156 HydrophobicContact SD-CG2 4.33Å; M152-L159 HydrophobicContact CE-CD1 4.46Å; M152-L159 HydrophobicContact CE-CD2 4.08Å; M152-L159 HydrophobicContact CE-CG 3.8Å; M152-L159 HydrophobicContact SD-CD1 3.59Å; M152-L159 VanDerWaalsContact SD-CD1 3.59Å; M152-L159 HydrophobicContact SD-CD2 3.54Å; M152-L159 VanDerWaalsContact SD-CD2 3.54Å; M152-L159 HydrophobicContact SD-CG 3.45Å; M152-L159 WeakPolarHBondContact SD-CG 3.32Å; M152-L273 HydrophobicContact CG-CD1 4.44Å | ||
| 153 | G | 83.9 | Confident | 85.5 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 38% | 0.381 | 27% | 0.267 | S | S | . | . | trans | -57.4 | 156.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R122 N155 T156 | R122-G153 PolarHBondContact NH2-O 3.34Å; G153-N155 PolarHBondContact O-N 3.07Å; G153-N155 VanDerWaalsContact O-N 3.1Å; G153-T156 PolarHBondContact O-N 3.16Å | ||
| 154 | W | 79.3 | Confident | 84.8 | Confident | 190 Ų | 190 | 50.3 Ų | 50.3 | 72% | 0.72 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -36.7 | -176 | -72.6 | 96 | 0 | 0 | 0 | 113.9 | R122 | R122-W154 PolarHBondContact NH1-O 2.74Å; R122-W154 PolarHBondContact NH2-O 3.37Å |
| 155 | N | 79.1 | Confident | 84.6 | Confident | 139 Ų | 139 | 51.4 Ų | 51.4 | 74% | 0.743 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 3.4 | 179.1 | -62.2 | -17.7 | 0 | 0 | 0 | 113.6 | G153 Q288 | G153-N155 PolarHBondContact O-N 3.07Å; G153-N155 VanDerWaalsContact O-N 3.1Å; N155-Q288 PolarHBondContact O-NE2 3.04Å |
| 156 | T | 82.7 | Confident | 84.7 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 31% | 0.307 | 29% | 0.29 | S | S | . | . | trans | -107.3 | 116.6 | 178.8 | -49.4 | 0 | 0 | 0 | 0 | 108.9 | R122 M152 G153 V158 L159 | R122-T156 PolarHBondContact NH2-O 2.97Å; M152-T156 HydrophobicContact CE-CG2 3.79Å; M152-T156 HydrophobicContact SD-CG2 4.33Å; G153-T156 PolarHBondContact O-N 3.16Å; T156-V158 WeakPolarHBondContact CG2-O 3.4Å; T156-L159 HydrophobicContact CG2-CD2 4.31Å | ||
| 157 | L | 84 | Confident | 84.8 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | trans | -111.7 | -15.7 | 179.6 | -64.4 | 173.5 | 0 | 0 | 0 | 112.7 | D180 P272 Q281 E284 K285 | L157-D180 WeakPolarHBondContact O-CB 3.45Å; L157-P272 HydrophobicContact CD2-CB 4.35Å; L157-Q281 WeakPolarHBondContact CD1-O 3.15Å; L157-E284 HydrophobicContact CD1-CB 4.5Å; L157-E284 HydrophobicContact CD1-CG 4.39Å; L157-K285 HydrophobicContact CB-CB 4.2Å; L157-K285 HydrophobicContact CB-CG 4.13Å; L157-K285 HydrophobicContact CD1-CB 3.79Å | ||
| 158 | V | 85.7 | Confident | 85.4 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | trans | -137.8 | 153.6 | 179 | -65.3 | 0 | 0 | 0 | 0 | 112 | T156 P178 Y179 K285 Q288 M292 | T156-V158 WeakPolarHBondContact CG2-O 3.4Å; V158-P178 HydrophobicContact CB-CB 4.07Å; V158-P178 HydrophobicContact CG2-CB 4.18Å; V158-Y179 CarbonylContact C-O 3.59Å; V158-Y179 VanDerWaalsContact CA-O 3.25Å; V158-Y179 WeakPolarHBondContact CA-O 3.37Å; V158-K285 HydrophobicContact CG1-CG 4.13Å; V158-Q288 HydrophobicContact CG2-CB 3.55Å; V158-M292 HydrophobicContact CG2-SD 3.8Å | ||
| 159 | L | 86.2 | Confident | 85.9 | Confident | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -123.1 | 161.7 | 175.9 | -64.7 | 179.3 | 0 | 0 | 0 | 111 | L124 R150 M152 T156 P178 Y179 | L124-L159 HydrophobicContact CD2-CD1 4.01Å; R150-L159 HydrophobicContact CB-CD1 4.3Å; R150-L159 HydrophobicContact CG-CD1 4.17Å; M152-L159 HydrophobicContact CE-CD1 4.46Å; M152-L159 HydrophobicContact CE-CD2 4.08Å; M152-L159 HydrophobicContact CE-CG 3.8Å; M152-L159 HydrophobicContact SD-CD1 3.59Å; M152-L159 VanDerWaalsContact SD-CD1 3.59Å; M152-L159 HydrophobicContact SD-CD2 3.54Å; M152-L159 VanDerWaalsContact SD-CD2 3.54Å; M152-L159 HydrophobicContact SD-CG 3.45Å; M152-L159 WeakPolarHBondContact SD-CG 3.32Å; T156-L159 HydrophobicContact CG2-CD2 4.31Å; L159-P178 CarbonylContact O-C 3.6Å; L159-P178 VanDerWaalsContact O-CA 3.23Å; L159-P178 WeakPolarHBondContact O-CA 3.43Å; L159-Y179 HydrophobicContact CB-CD1 4.41Å; L159-Y179 HydrophobicContact CB-CE1 3.84Å; L159-Y179 HydrophobicContact CB-CE2 4.25Å; L159-Y179 HydrophobicContact CD1-CE2 4.43Å; L159-Y179 PolarHBondContact N-O 2.93Å; L159-Y179 VanDerWaalsContact O-CD1 3.24Å; L159-Y179 WeakPolarHBondContact O-CD1 3.48Å; L159-Y179 PolarHBondContact O-N 2.93Å |
| 160 | T | 82.6 | Confident | 86.1 | Confident | 62 Ų | 62 | 50.4 Ų | 50.4 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | trans | -127.8 | -5.7 | 177.5 | 53.3 | 0 | 0 | 0 | 0 | 114.3 | I162 P178 M292 | T160-I162 PolarHBondContact O-N 3.21Å; T160-P178 HydrophobicContact CG2-CB 4.34Å; T160-P178 HydrophobicContact CG2-CG 4.18Å; T160-M292 HydrophobicContact CG2-CB 3.7Å; T160-M292 HydrophobicContact CG2-CG 4.28Å; T160-M292 HydrophobicContact CG2-SD 3.98Å | ||
| 161 | S | 81.5 | Confident | 86.3 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | trans | -72 | 127.5 | -179.2 | 56.4 | 0 | 0 | 0 | 0 | 111 | R126 K163 Y179 | R126-S161 PolarHBondContact NH1-OG 3.22Å; S161-K163 PolarHBondContact O-N 2.78Å; S161-Y179 VanDerWaalsContact O-CE1 3.27Å; S161-Y179 WeakPolarHBondContact O-CE1 3.12Å; S161-Y179 PolarHBondContact O-OH 3.45Å; S161-Y179 PolarHBondContact OG-OH 2.96Å | ||
| 162 | I | 80.9 | Confident | 86.4 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 35% | 0.349 | 23% | 0.231 | S | C | . | . | trans | -81.8 | 112.5 | 174.9 | -50.3 | 169 | 0 | 0 | 0 | 107.7 | T160 M169 I173 E176 V300 | T160-I162 PolarHBondContact O-N 3.21Å; I162-M169 HydrophobicContact CG2-CE 4.02Å; I162-M169 HydrophobicContact CG2-SD 4.07Å; I162-I173 HydrophobicContact CG2-CG2 3.96Å; I162-E176 HydrophobicContact CD1-CG 3.57Å; I162-E176 HydrophobicContact CG1-CG 4.28Å; I162-V300 HydrophobicContact CD1-CG2 4.33Å | ||
| 163 | K | 81.7 | Confident | 86.5 | Confident | 63 Ų | 63 | 42.3 Ų | 42.3 | 27% | 0.274 | 23% | 0.232 | S | C | . | . | trans | -141 | 150.4 | 177 | -65.2 | -60.8 | -172.8 | 179.7 | 0 | 109 | R126 F148 S161 | R126-K163 CarbonylContact O-C 3.52Å; F148-K163 HydrophobicContact CB-CB 4.3Å; F148-K163 HydrophobicContact CD1-CB 3.9Å; F148-K163 HydrophobicContact CD1-CD 3.61Å; F148-K163 HydrophobicContact CD1-CG 4.03Å; F148-K163 HydrophobicContact CE1-CD 3.8Å; F148-K163 HydrophobicContact CG-CB 4.29Å; S161-K163 PolarHBondContact O-N 2.78Å | ||
| 164 | G | 82.2 | Confident | 86.7 | Confident | 18 Ų | 18 | 41 Ų | 41 | 19% | 0.186 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 116.9 | -177.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | R126 D127 M169 | R126-G164 WeakPolarHBondContact O-CA 3.33Å; D127-G164 VanDerWaalsContact OD1-C 3.31Å; D127-G164 VanDerWaalsContact OD1-CA 3.26Å; D127-G164 WeakPolarHBondContact OD1-CA 3.5Å; G164-M169 WeakPolarHBondContact O-CE 3.43Å |
| 165 | T | 87.9 | Confident | 86.9 | Confident | 40 Ų | 40 | 34.1 Ų | 34.1 | 25% | 0.245 | 19% | 0.192 | C | C | . | . | trans | -95 | 124.9 | 177.8 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | D127 K129 L167 Y168 M169 | D127-T165 PolarHBondContact OD1-N 2.91Å; D127-T165 PolarHBondContact OD1-OG1 3.19Å; K129-T165 VanDerWaalsContact CD-OG1 3.31Å; K129-T165 WeakPolarHBondContact CD-OG1 3.44Å; K129-T165 PolarHBondContact NZ-OG1 2.86Å; T165-L167 VanDerWaalsContact C-N 3.26Å; T165-L167 PolarHBondContact O-N 3.47Å; T165-Y168 HydrophobicContact CG2-CD2 4.02Å; T165-Y168 HydrophobicContact CG2-CE2 4.25Å; T165-Y168 PolarHBondContact O-N 2.84Å; T165-M169 PolarHBondContact O-N 2.87Å | ||
| 166 | P | 89.4 | Confident | 87.1 | Confident | 54 Ų | 54 | 28.4 Ų | 28.4 | 35% | 0.351 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -51.8 | -33.6 | -169.3 | -31.8 | 36 | 0 | 0 | 0 | 116.7 | Y168 M169 I207 L210 I214 | P166-Y168 PolarHBondContact O-N 3.19Å; P166-M169 PolarHBondContact O-N 2.83Å; P166-I207 HydrophobicContact CB-CD1 3.64Å; P166-I207 HydrophobicContact CG-CD1 3.92Å; P166-L210 HydrophobicContact CB-CD2 3.93Å; P166-I214 WeakPolarHBondContact O-CD1 3.18Å |
| 167 | L | 91.6 | Very high | 87.1 | Confident | 39 Ų | 39 | 29.8 Ų | 29.8 | 20% | 0.204 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -61.9 | -29 | 178.1 | -70.4 | 167.6 | 0 | 0 | 0 | 113.3 | T165 P200 F202 Y203 L210 | T165-L167 VanDerWaalsContact C-N 3.26Å; T165-L167 PolarHBondContact O-N 3.47Å; L167-P200 HydrophobicContact CD2-CG 4.35Å; L167-F202 WeakPolarHBondContact CD2-O 3.41Å; L167-Y203 HydrophobicContact CD2-CD2 4.12Å; L167-L210 HydrophobicContact CD2-CD1 3.85Å; L167-L210 HydrophobicContact CD2-CD2 3.82Å; L167-L210 HydrophobicContact CG-CD2 4.22Å |
| 168 | Y | 95 | Very high | 87.3 | Confident | 12 Ų | 12 | 29.8 Ų | 29.8 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -109.2 | -1.1 | -176.2 | -51.5 | -81.5 | 0 | 0 | 0 | 112.8 | M128 K129 P130 T165 P166 C190 I191 E194 | M128-Y168 WeakPolarHBondContact O-CB 3.32Å; K129-Y168 HydrophobicContact CB-CD2 3.62Å; K129-Y168 HydrophobicContact CB-CE2 3.56Å; K129-Y168 HydrophobicContact CB-CG 4.27Å; P130-Y168 WeakPolarHBondContact CD-OH 3.43Å; P130-Y168 HydrophobicContact CG-CE1 4.31Å; T165-Y168 HydrophobicContact CG2-CD2 4.02Å; T165-Y168 HydrophobicContact CG2-CE2 4.25Å; T165-Y168 PolarHBondContact O-N 2.84Å; P166-Y168 PolarHBondContact O-N 3.19Å; Y168-C190 HydrophobicContact CD1-CB 3.78Å; Y168-C190 HydrophobicContact CE1-CB 4.42Å; Y168-I191 HydrophobicContact CD1-CG1 3.95Å; Y168-I191 HydrophobicContact CE1-CG1 3.99Å; Y168-E194 WeakPolarHBondContact CE1-OE2 3.37Å; Y168-E194 VanDerWaalsContact CZ-OE2 3.27Å; Y168-E194 PolarHBondContact OH-OE1 2.9Å; Y168-E194 PolarHBondContact OH-OE2 3.36Å |
| 169 | M | 94 | Very high | 87.5 | Confident | 20 Ų | 20 | 29.9 Ų | 29.9 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | trans | -70.1 | 135.7 | 178 | -73.4 | -171.3 | -174.1 | 0 | 0 | 111.6 | I162 G164 T165 P166 I173 I174 W186 | I162-M169 HydrophobicContact CG2-CE 4.02Å; I162-M169 HydrophobicContact CG2-SD 4.07Å; G164-M169 WeakPolarHBondContact O-CE 3.43Å; T165-M169 PolarHBondContact O-N 2.87Å; P166-M169 PolarHBondContact O-N 2.83Å; M169-I173 HydrophobicContact CB-CB 4.47Å; M169-I173 HydrophobicContact CB-CG2 4.33Å; M169-I173 HydrophobicContact CG-CG2 4.18Å; M169-I173 HydrophobicContact SD-CG2 3.74Å; M169-I174 HydrophobicContact CB-CD1 4.12Å; M169-I174 HydrophobicContact CB-CG1 3.92Å; M169-I174 HydrophobicContact SD-CG1 4.44Å; M169-W186 PolarHBondContact O-NE1 3.46Å | ||
| 170 | A | 94.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -65.6 | 151.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E172 I173 I174 A183 W186 | A170-E172 VanDerWaalsContact CB-CD 3.43Å; A170-E172 HydrophobicContact CB-CG 4.33Å; A170-E172 VanDerWaalsContact CB-OE1 3.31Å; A170-E172 WeakPolarHBondContact CB-OE1 3.19Å; A170-E172 WeakPolarHBondContact CB-OE2 3.32Å; A170-E172 PolarHBondContact O-N 2.9Å; A170-I173 HydrophobicContact CB-CD1 4.45Å; A170-I173 HydrophobicContact CB-CG1 4.45Å; A170-I173 WeakPolarHBondContact O-CB 3.48Å; A170-I173 PolarHBondContact O-N 3.41Å; A170-I174 PolarHBondContact O-N 2.95Å; A170-A183 HydrophobicContact CB-CB 4.15Å; A170-W186 VanDerWaalsContact CA-CD1 3.44Å; A170-W186 HydrophobicContact CB-CB 3.83Å; A170-W186 HydrophobicContact CB-CD2 4.26Å; A170-W186 HydrophobicContact CB-CG 3.71Å | ||
| 171 | P | 92.8 | Very high | 88.3 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.9 | -39.3 | -179.3 | -26 | 33.8 | 0 | 0 | 0 | 113 | I173 I174 E175 W186 I214 K239 | P171-I173 VanDerWaalsContact C-N 3.33Å; P171-I173 PolarHBondContact O-N 3.29Å; P171-I174 PolarHBondContact O-N 2.82Å; P171-E175 VanDerWaalsContact O-CB 3.28Å; P171-E175 WeakPolarHBondContact O-CB 3.49Å; P171-E175 VanDerWaalsContact O-CG 3.22Å; P171-E175 WeakPolarHBondContact O-CG 3.48Å; P171-E175 PolarHBondContact O-N 2.94Å; P171-W186 HydrophobicContact CG-CE3 4.22Å; P171-W186 HydrophobicContact CG-CH2 3.5Å; P171-W186 VanDerWaalsContact CG-CH2 3.5Å; P171-W186 HydrophobicContact CG-CZ2 3.84Å; P171-W186 HydrophobicContact CG-CZ3 3.69Å; P171-I214 HydrophobicContact CB-CG2 4.34Å; P171-I214 HydrophobicContact CG-CG2 3.9Å; P171-K239 HydrophobicContact CG-CB 4.32Å; P171-K239 HydrophobicContact CG-CG 4.3Å |
| 172 | E | 91.2 | Very high | 88.9 | Confident | 6 Ų | 6 | 24.5 Ų | 24.5 | 3% | 0.028 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.9 | -30.9 | 177.9 | 63.6 | -84.8 | -162 | 0 | 0 | 113.6 | A170 E176 K177 V241 R244 | A170-E172 VanDerWaalsContact CB-CD 3.43Å; A170-E172 HydrophobicContact CB-CG 4.33Å; A170-E172 VanDerWaalsContact CB-OE1 3.31Å; A170-E172 WeakPolarHBondContact CB-OE1 3.19Å; A170-E172 WeakPolarHBondContact CB-OE2 3.32Å; A170-E172 PolarHBondContact O-N 2.9Å; E172-E176 PolarHBondContact O-N 2.82Å; E172-K177 HydrophobicContact CB-CB 4.1Å; E172-K177 PolarHBondContact O-N 2.59Å; E172-V241 HydrophobicContact CB-CG2 4.11Å; E172-V241 HydrophobicContact CG-CG2 3.87Å; E172-V241 WeakPolarHBondContact OE2-CG2 3.47Å; E172-R244 IonicContact OE1-CZ 2.86Å; E172-R244 IonicContact OE1-NH1 2.92Å; E172-R244 PolarHBondContact OE1-NH1 3.3Å; E172-R244 IonicContact OE1-NH2 2.78Å; E172-R244 PolarHBondContact OE1-NH2 3.35Å; E172-R244 IonicContact OE2-CZ 3.51Å; E172-R244 IonicContact OE2-NH1 3.94Å; E172-R244 IonicContact OE2-NH2 3.62Å; E172-R244 PolarHBondContact OE2-NH2 3.18Å |
| 173 | I | 90.8 | Very high | 89.6 | Confident | 9 Ų | 9 | 21.5 Ų | 21.5 | 5% | 0.046 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.8 | -45.4 | 174.7 | -66.6 | 178.6 | 0 | 0 | 0 | 109.6 | I162 M169 A170 P171 E175 E176 Y179 A183 | I162-I173 HydrophobicContact CG2-CG2 3.96Å; M169-I173 HydrophobicContact CB-CB 4.47Å; M169-I173 HydrophobicContact CB-CG2 4.33Å; M169-I173 HydrophobicContact CG-CG2 4.18Å; M169-I173 HydrophobicContact SD-CG2 3.74Å; A170-I173 HydrophobicContact CB-CD1 4.45Å; A170-I173 HydrophobicContact CB-CG1 4.45Å; A170-I173 WeakPolarHBondContact O-CB 3.48Å; A170-I173 PolarHBondContact O-N 3.41Å; P171-I173 VanDerWaalsContact C-N 3.33Å; P171-I173 PolarHBondContact O-N 3.29Å; I173-E175 VanDerWaalsContact C-N 3.33Å; I173-E175 PolarHBondContact O-N 2.9Å; I173-E176 PolarHBondContact O-N 3.32Å; I173-E176 VanDerWaalsContact O-N 3.08Å; I173-Y179 HydrophobicContact CD1-CD2 3.95Å; I173-Y179 HydrophobicContact CD1-CE2 3.98Å; I173-Y179 HydrophobicContact CD1-CG 4.24Å; I173-Y179 HydrophobicContact CG1-CD1 3.82Å; I173-Y179 HydrophobicContact CG1-CD2 3.98Å; I173-Y179 HydrophobicContact CG1-CE1 4.17Å; I173-Y179 HydrophobicContact CG1-CE2 4.29Å; I173-Y179 HydrophobicContact CG1-CG 3.72Å; I173-A183 HydrophobicContact CD1-CB 3.64Å; I173-A183 HydrophobicContact CG1-CB 4.4Å |
| 174 | I | 87.2 | Confident | 90.3 | Very high | 10 Ų | 10 | 18.7 Ų | 18.7 | 5% | 0.051 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.3 | -38.9 | 177.9 | -68.7 | 169.6 | 0 | 0 | 0 | 111.7 | M169 A170 P171 E176 V211 I214 T215 S298 | M169-I174 HydrophobicContact CB-CD1 4.12Å; M169-I174 HydrophobicContact CB-CG1 3.92Å; M169-I174 HydrophobicContact SD-CG1 4.44Å; A170-I174 PolarHBondContact O-N 2.95Å; P171-I174 PolarHBondContact O-N 2.82Å; I174-E176 PolarHBondContact O-N 2.86Å; I174-V211 HydrophobicContact CG2-CB 3.98Å; I174-V211 HydrophobicContact CG2-CG1 3.52Å; I174-V211 HydrophobicContact CG2-CG2 3.66Å; I174-I214 HydrophobicContact CD1-CB 3.81Å; I174-I214 HydrophobicContact CD1-CD1 3.35Å; I174-I214 HydrophobicContact CD1-CG1 4.16Å; I174-I214 HydrophobicContact CD1-CG2 3.54Å; I174-T215 HydrophobicContact CG2-CG2 4.28Å; I174-S298 PolarHBondContact O-OG 3.11Å |
| 175 | E | 83.4 | Confident | 91 | Very high | 45 Ų | 45 | 17.9 Ų | 17.9 | 21% | 0.21 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 5.4 | 175.3 | -68.9 | -178.7 | 152.5 | 0 | 0 | 113.4 | P171 I173 K177 T215 S298 L301 | P171-E175 VanDerWaalsContact O-CB 3.28Å; P171-E175 WeakPolarHBondContact O-CB 3.49Å; P171-E175 VanDerWaalsContact O-CG 3.22Å; P171-E175 WeakPolarHBondContact O-CG 3.48Å; P171-E175 PolarHBondContact O-N 2.94Å; I173-E175 VanDerWaalsContact C-N 3.33Å; I173-E175 PolarHBondContact O-N 2.9Å; E175-K177 HydrophobicContact CB-CD 4.06Å; E175-K177 HydrophobicContact CB-CG 4.07Å; E175-K177 PolarHBondContact O-N 2.92Å; E175-K177 VanDerWaalsContact O-N 3.14Å; E175-K177 WeakPolarHBondContact OE2-CD 3.32Å; E175-K177 WeakPolarHBondContact OE2-CE 2.95Å; E175-K177 IonicContact OE2-NZ 3.38Å; E175-K177 PolarHBondContact OE2-NZ 3.38Å; E175-T215 HydrophobicContact CG-CG2 3.77Å; E175-S298 WeakPolarHBondContact O-CB 3Å; E175-L301 HydrophobicContact CB-CD1 4.41Å; E175-L301 HydrophobicContact CG-CD1 3.92Å |
| 176 | E | 83.4 | Confident | 91.5 | Very high | 18 Ų | 18 | 16 Ų | 16 | 8% | 0.084 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 33.2 | -177.2 | -58.3 | -175.1 | -165.3 | 0 | 0 | 113.4 | I162 E172 I173 I174 R294 R299 V300 | I162-E176 HydrophobicContact CD1-CG 3.57Å; I162-E176 HydrophobicContact CG1-CG 4.28Å; E172-E176 PolarHBondContact O-N 2.82Å; I173-E176 PolarHBondContact O-N 3.32Å; I173-E176 VanDerWaalsContact O-N 3.08Å; I174-E176 PolarHBondContact O-N 2.86Å; E176-R294 IonicContact OE2-CZ 3.46Å; E176-R294 IonicContact OE2-NH1 3.72Å; E176-R294 PolarHBondContact OE2-NH1 3.25Å; E176-R299 WeakPolarHBondContact OE1-CA 3.29Å; E176-R299 WeakPolarHBondContact OE1-CB 3.25Å; E176-R299 PolarHBondContact OE1-N 2.96Å; E176-R299 PolarHBondContact OE2-N 3.12Å; E176-R299 VanDerWaalsContact OE2-N 3.1Å; E176-V300 PolarHBondContact OE1-N 3.46Å |
| 177 | K | 84.4 | Confident | 91.8 | Very high | 80 Ų | 80 | 13.6 Ų | 13.6 | 35% | 0.348 | 7% | 0.067 | S | C | . | . | trans | -87.2 | 150.4 | 174.3 | -69.5 | 174.7 | 179.8 | 168.9 | 0 | 109.1 | E172 E175 Y179 | E172-K177 HydrophobicContact CB-CB 4.1Å; E172-K177 PolarHBondContact O-N 2.59Å; E175-K177 HydrophobicContact CB-CD 4.06Å; E175-K177 HydrophobicContact CB-CG 4.07Å; E175-K177 PolarHBondContact O-N 2.92Å; E175-K177 VanDerWaalsContact O-N 3.14Å; E175-K177 WeakPolarHBondContact OE2-CD 3.32Å; E175-K177 WeakPolarHBondContact OE2-CE 2.95Å; E175-K177 IonicContact OE2-NZ 3.38Å; E175-K177 PolarHBondContact OE2-NZ 3.38Å; K177-Y179 PolarHBondContact O-N 3.08Å | ||
| 178 | P | 87.1 | Confident | 92.1 | Very high | 8 Ų | 8 | 11.8 Ų | 11.8 | 5% | 0.052 | 6% | 0.057 | C | C | . | . | trans | -58.4 | 132.2 | 172.1 | -22.4 | 33.2 | 0 | 0 | 0 | 110.8 | V158 L159 T160 R289 M292 L293 | V158-P178 HydrophobicContact CB-CB 4.07Å; V158-P178 HydrophobicContact CG2-CB 4.18Å; L159-P178 CarbonylContact O-C 3.6Å; L159-P178 VanDerWaalsContact O-CA 3.23Å; L159-P178 WeakPolarHBondContact O-CA 3.43Å; T160-P178 HydrophobicContact CG2-CB 4.34Å; T160-P178 HydrophobicContact CG2-CG 4.18Å; P178-R289 HydrophobicContact CB-CG 4.25Å; P178-R289 HydrophobicContact CG-CG 4.31Å; P178-M292 HydrophobicContact CB-CB 4.26Å; P178-M292 HydrophobicContact CG-CB 3.68Å; P178-L293 HydrophobicContact CG-CG 4.31Å | ||
| 179 | Y | 91 | Very high | 92.2 | Very high | 6 Ų | 6 | 11.2 Ų | 11.2 | 2% | 0.024 | 6% | 0.055 | C | C | . | . | B | Isolated β-bridge | trans | -129.8 | 166.2 | -175.4 | 71.2 | -84.1 | 0 | 0 | 0 | 111 | L124 R126 V158 L159 S161 I173 K177 A183 | L124-Y179 HydrophobicContact CD2-CE2 4.46Å; R126-Y179 VanDerWaalsContact CD-OH 3.31Å; R126-Y179 WeakPolarHBondContact CD-OH 3.34Å; R126-Y179 PolarHBondContact NH1-OH 3.33Å; V158-Y179 CarbonylContact C-O 3.59Å; V158-Y179 VanDerWaalsContact CA-O 3.25Å; V158-Y179 WeakPolarHBondContact CA-O 3.37Å; L159-Y179 HydrophobicContact CB-CD1 4.41Å; L159-Y179 HydrophobicContact CB-CE1 3.84Å; L159-Y179 HydrophobicContact CB-CE2 4.25Å; L159-Y179 HydrophobicContact CD1-CE2 4.43Å; L159-Y179 PolarHBondContact N-O 2.93Å; L159-Y179 VanDerWaalsContact O-CD1 3.24Å; L159-Y179 WeakPolarHBondContact O-CD1 3.48Å; L159-Y179 PolarHBondContact O-N 2.93Å; S161-Y179 VanDerWaalsContact O-CE1 3.27Å; S161-Y179 WeakPolarHBondContact O-CE1 3.12Å; S161-Y179 PolarHBondContact O-OH 3.45Å; S161-Y179 PolarHBondContact OG-OH 2.96Å; I173-Y179 HydrophobicContact CD1-CD2 3.95Å; I173-Y179 HydrophobicContact CD1-CE2 3.98Å; I173-Y179 HydrophobicContact CD1-CG 4.24Å; I173-Y179 HydrophobicContact CG1-CD1 3.82Å; I173-Y179 HydrophobicContact CG1-CD2 3.98Å; I173-Y179 HydrophobicContact CG1-CE1 4.17Å; I173-Y179 HydrophobicContact CG1-CE2 4.29Å; I173-Y179 HydrophobicContact CG1-CG 3.72Å; K177-Y179 PolarHBondContact O-N 3.08Å; Y179-A183 HydrophobicContact CD2-CB 3.8Å; Y179-A183 HydrophobicContact CE2-CB 4.4Å |
| 180 | D | 91.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 10.2 Ų | 10.2 | 3% | 0.027 | 5% | 0.05 | C | C | . | . | trans | -134.2 | -160.5 | -179.9 | 63.5 | 17.3 | 0 | 0 | 0 | 111 | L157 T182 A183 K285 | L157-D180 WeakPolarHBondContact O-CB 3.45Å; D180-T182 PolarHBondContact O-N 2.77Å; D180-T182 VanDerWaalsContact O-N 3.08Å; D180-T182 VanDerWaalsContact OD1-CB 3.27Å; D180-T182 WeakPolarHBondContact OD1-CB 3.05Å; D180-T182 VanDerWaalsContact OD1-CG2 3.28Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.23Å; D180-T182 PolarHBondContact OD1-N 3.33Å; D180-T182 PolarHBondContact OD1-OG1 3.39Å; D180-A183 PolarHBondContact O-N 3.05Å; D180-K285 WeakPolarHBondContact OD2-CE 3.33Å; D180-K285 IonicContact OD2-NZ 3.4Å; D180-K285 PolarHBondContact OD2-NZ 3.5Å | ||
| 181 | H | 92.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 10.2 Ų | 10.2 | 4% | 0.042 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -19.2 | 179.9 | 74.6 | -83.2 | 0 | 0 | 0 | 114.7 | H119 L124 A183 D184 W247 L273 | H119-H181 AromaticContact ND1-CD2 3.84Å; L124-H181 HydrophobicContact CD1-CB 4.06Å; L124-H181 HydrophobicContact CG-CB 4.24Å; H181-A183 PolarHBondContact O-N 2.94Å; H181-D184 PolarHBondContact O-N 2.97Å; H181-W247 AromaticContact CD2-CD1 3.77Å; H181-W247 AromaticContact CD2-NE1 3.73Å; H181-W247 AromaticContact NE2-CD1 3.51Å; H181-W247 AromaticContact NE2-NE1 3.95Å; H181-L273 HydrophobicContact CB-CD1 4.37Å; H181-L273 PolarHBondContact CE1-O 2.68Å; H181-L273 VanDerWaalsContact CE1-O 3.31Å; H181-L273 PolarHBondContact NE2-O 3.42Å |
| 182 | T | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -68.7 | -12.1 | 178.9 | 64 | 0 | 0 | 0 | 0 | 113.3 | D180 L185 W186 V241 R244 Q246 | D180-T182 PolarHBondContact O-N 2.77Å; D180-T182 VanDerWaalsContact O-N 3.08Å; D180-T182 VanDerWaalsContact OD1-CB 3.27Å; D180-T182 WeakPolarHBondContact OD1-CB 3.05Å; D180-T182 VanDerWaalsContact OD1-CG2 3.28Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.23Å; D180-T182 PolarHBondContact OD1-N 3.33Å; D180-T182 PolarHBondContact OD1-OG1 3.39Å; T182-L185 PolarHBondContact O-N 3.49Å; T182-W186 PolarHBondContact O-N 2.98Å; T182-V241 WeakPolarHBondContact OG1-CG1 3.28Å; T182-R244 PolarHBondContact O-NH1 3.44Å; T182-Q246 HydrophobicContact CG2-CG 4Å |
| 183 | A | 95 | Very high | 93 | Very high | 6 Ų | 6 | 10.4 Ų | 10.4 | 5% | 0.05 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -67.9 | -36.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A170 I173 Y179 D180 H181 L185 W186 A187 | A170-A183 HydrophobicContact CB-CB 4.15Å; I173-A183 HydrophobicContact CD1-CB 3.64Å; I173-A183 HydrophobicContact CG1-CB 4.4Å; Y179-A183 HydrophobicContact CD2-CB 3.8Å; Y179-A183 HydrophobicContact CE2-CB 4.4Å; D180-A183 PolarHBondContact O-N 3.05Å; H181-A183 PolarHBondContact O-N 2.94Å; A183-L185 VanDerWaalsContact C-N 3.28Å; A183-L185 PolarHBondContact O-N 2.88Å; A183-W186 WeakPolarHBondContact O-CB 3.3Å; A183-W186 PolarHBondContact O-N 3.15Å; A183-A187 PolarHBondContact O-N 3.17Å; A183-A187 VanDerWaalsContact O-N 3.14Å |
| 184 | D | 96.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 10.5 Ų | 10.5 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -68.1 | -32.1 | 175.3 | -69.3 | -26.4 | 0 | 0 | 0 | 110.7 | L115 H119 L124 H125 R126 M128 H181 A187 L188 | L115-D184 HydrophobicContact CD2-CB 3.89Å; H119-D184 IonicContact NE2-OD2 3.21Å; H119-D184 PolarHBondContact NE2-OD2 3.45Å; L124-D184 WeakPolarHBondContact CA-OD2 3.48Å; H125-D184 PolarHBondContact N-OD2 3.39Å; R126-D184 WeakPolarHBondContact CA-OD1 3.49Å; R126-D184 PolarHBondContact N-OD1 3.47Å; M128-D184 HydrophobicContact SD-CB 4.25Å; H181-D184 PolarHBondContact O-N 2.97Å; D184-A187 PolarHBondContact O-N 3.36Å; D184-L188 PolarHBondContact O-N 3.24Å |
| 185 | L | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -67.9 | -34.9 | 173.9 | -57 | -175.6 | 0 | 0 | 0 | 112.6 | L115 T182 A183 G189 L236 L245 W247 L250 | L115-L185 HydrophobicContact CD1-CD2 4.09Å; T182-L185 PolarHBondContact O-N 3.49Å; A183-L185 VanDerWaalsContact C-N 3.28Å; A183-L185 PolarHBondContact O-N 2.88Å; L185-G189 PolarHBondContact O-N 3.28Å; L185-G189 VanDerWaalsContact O-N 3.11Å; L185-L236 HydrophobicContact CB-CD2 4.03Å; L185-L245 VanDerWaalsContact CD1-O 3.29Å; L185-L245 WeakPolarHBondContact CD1-O 3.5Å; L185-W247 HydrophobicContact CD2-CZ2 4.18Å; L185-L250 HydrophobicContact CD1-CD2 4.17Å; L185-L250 HydrophobicContact CD2-CD2 3.6Å |
| 186 | W | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 171.7 | 171.7 | -80.3 | 0 | 0 | 0 | 111.4 | M169 A170 P171 T182 A183 L188 G189 C190 F202 I214 L237 K239 | M169-W186 PolarHBondContact O-NE1 3.46Å; A170-W186 VanDerWaalsContact CA-CD1 3.44Å; A170-W186 HydrophobicContact CB-CB 3.83Å; A170-W186 HydrophobicContact CB-CD2 4.26Å; A170-W186 HydrophobicContact CB-CG 3.71Å; P171-W186 HydrophobicContact CG-CE3 4.22Å; P171-W186 HydrophobicContact CG-CH2 3.5Å; P171-W186 VanDerWaalsContact CG-CH2 3.5Å; P171-W186 HydrophobicContact CG-CZ2 3.84Å; P171-W186 HydrophobicContact CG-CZ3 3.69Å; T182-W186 PolarHBondContact O-N 2.98Å; A183-W186 WeakPolarHBondContact O-CB 3.3Å; A183-W186 PolarHBondContact O-N 3.15Å; W186-L188 VanDerWaalsContact C-N 3.32Å; W186-L188 PolarHBondContact O-N 3.05Å; W186-G189 WeakPolarHBondContact O-CA 3.48Å; W186-G189 PolarHBondContact O-N 3.21Å; W186-G189 VanDerWaalsContact O-N 3.09Å; W186-C190 PolarHBondContact NE1-SG 3.01Å; W186-C190 PolarHBondContact O-N 3.4Å; W186-C190 PolarHBondContact O-SG 3.45Å; W186-F202 HydrophobicContact CH2-CE2 4.16Å; W186-F202 AromaticContact CZ2-CE2 3.75Å; W186-F202 HydrophobicContact CZ2-CE2 3.75Å; W186-I214 HydrophobicContact CZ2-CG2 3.93Å; W186-L237 HydrophobicContact CD2-CD2 4.05Å; W186-L237 HydrophobicContact CE3-CD2 4.23Å; W186-L237 HydrophobicContact CZ2-CD2 4.36Å; W186-L237 VanDerWaalsContact CZ3-C 3.41Å; W186-L237 HydrophobicContact CZ3-CB 4.32Å; W186-L237 HydrophobicContact CZ3-CD2 4.49Å; W186-L237 VanDerWaalsContact CZ3-O 3.25Å; W186-L237 WeakPolarHBondContact CZ3-O 3.44Å; W186-K239 HydrophobicContact CH2-CG 4.21Å; W186-K239 HydrophobicContact CZ3-CG 4.25Å |
| 187 | A | 97.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 9.7 Ų | 9.7 | 4% | 0.041 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | M128 A183 D184 G189 C190 I191 | M128-A187 HydrophobicContact CB-CB 3.82Å; A183-A187 PolarHBondContact O-N 3.17Å; A183-A187 VanDerWaalsContact O-N 3.14Å; D184-A187 PolarHBondContact O-N 3.36Å; A187-G189 VanDerWaalsContact C-N 3.32Å; A187-G189 PolarHBondContact O-N 2.88Å; A187-C190 WeakPolarHBondContact O-CB 3.45Å; A187-C190 PolarHBondContact O-N 2.86Å; A187-C190 VanDerWaalsContact O-N 3.11Å; A187-I191 WeakPolarHBondContact O-CD1 3.35Å; A187-I191 WeakPolarHBondContact O-CG1 3.5Å; A187-I191 PolarHBondContact O-N 3.39Å |
| 188 | L | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -54.1 | -47.6 | 170.6 | 175.8 | 66.1 | 0 | 0 | 0 | 111.6 | L111 V112 L115 D184 W186 C190 I191 L192 L236 | L111-L188 HydrophobicContact CB-CD1 3.73Å; L111-L188 HydrophobicContact CD1-CD1 3.71Å; L111-L188 HydrophobicContact CG-CD1 4.4Å; V112-L188 HydrophobicContact CG2-CD2 3.73Å; L115-L188 HydrophobicContact CD1-CB 4.2Å; L115-L188 HydrophobicContact CD1-CD2 4.13Å; D184-L188 PolarHBondContact O-N 3.24Å; W186-L188 VanDerWaalsContact C-N 3.32Å; W186-L188 PolarHBondContact O-N 3.05Å; L188-C190 VanDerWaalsContact C-N 3.29Å; L188-C190 PolarHBondContact O-N 3.02Å; L188-I191 PolarHBondContact O-N 3.35Å; L188-L192 HydrophobicContact CD1-CD1 3.94Å; L188-L192 HydrophobicContact CD1-CD2 4.37Å; L188-L192 HydrophobicContact CD1-CG 3.96Å; L188-L192 HydrophobicContact CG-CD1 3.97Å; L188-L192 HydrophobicContact CG-CG 4.33Å; L188-L192 VanDerWaalsContact O-CG 3.31Å; L188-L192 WeakPolarHBondContact O-CG 3.26Å; L188-L192 PolarHBondContact O-N 3.01Å; L188-L236 HydrophobicContact CD2-CD1 4.33Å; L188-L236 HydrophobicContact CG-CD1 4.47Å |
| 189 | G | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.3 | -39.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L185 W186 A187 Y193 L233 | L185-G189 PolarHBondContact O-N 3.28Å; L185-G189 VanDerWaalsContact O-N 3.11Å; W186-G189 WeakPolarHBondContact O-CA 3.48Å; W186-G189 PolarHBondContact O-N 3.21Å; W186-G189 VanDerWaalsContact O-N 3.09Å; A187-G189 VanDerWaalsContact C-N 3.32Å; A187-G189 PolarHBondContact O-N 2.88Å; G189-Y193 WeakPolarHBondContact O-CB 3.45Å; G189-Y193 PolarHBondContact O-N 3.23Å; G189-Y193 VanDerWaalsContact O-N 3.08Å; G189-L233 WeakPolarHBondContact O-CD2 3.5Å |
| 190 | C | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.4 | -43.6 | 178.4 | -66 | 0 | 0 | 0 | 0 | 111.5 | Y168 W186 A187 L188 Y193 E194 P201 L237 | Y168-C190 HydrophobicContact CD1-CB 3.78Å; Y168-C190 HydrophobicContact CE1-CB 4.42Å; W186-C190 PolarHBondContact NE1-SG 3.01Å; W186-C190 PolarHBondContact O-N 3.4Å; W186-C190 PolarHBondContact O-SG 3.45Å; A187-C190 WeakPolarHBondContact O-CB 3.45Å; A187-C190 PolarHBondContact O-N 2.86Å; A187-C190 VanDerWaalsContact O-N 3.11Å; L188-C190 VanDerWaalsContact C-N 3.29Å; L188-C190 PolarHBondContact O-N 3.02Å; C190-Y193 PolarHBondContact O-N 3.01Å; C190-E194 WeakPolarHBondContact O-CB 3.5Å; C190-E194 PolarHBondContact O-N 3.43Å; C190-P201 HydrophobicContact CB-CG 4.15Å; C190-L237 VanDerWaalsContact SG-CD2 3.56Å |
| 191 | I | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.9 | -47.5 | 178.5 | -67.2 | 155.7 | 0 | 0 | 0 | 110.7 | M128 P130 I133 Y168 A187 L188 Y193 E194 L195 | M128-I191 HydrophobicContact CB-CD1 3.9Å; M128-I191 HydrophobicContact CE-CD1 4.39Å; P130-I191 HydrophobicContact CG-CG1 4.48Å; I133-I191 HydrophobicContact CD1-CD1 3.8Å; I133-I191 HydrophobicContact CD1-CG2 3.97Å; Y168-I191 HydrophobicContact CD1-CG1 3.95Å; Y168-I191 HydrophobicContact CE1-CG1 3.99Å; A187-I191 WeakPolarHBondContact O-CD1 3.35Å; A187-I191 WeakPolarHBondContact O-CG1 3.5Å; A187-I191 PolarHBondContact O-N 3.39Å; L188-I191 PolarHBondContact O-N 3.35Å; I191-Y193 VanDerWaalsContact C-N 3.29Å; I191-Y193 PolarHBondContact O-N 2.68Å; I191-E194 PolarHBondContact O-N 2.89Å; I191-E194 VanDerWaalsContact O-N 3.16Å; I191-L195 HydrophobicContact CG2-CD1 3.99Å; I191-L195 HydrophobicContact CG2-CG 4.3Å; I191-L195 VanDerWaalsContact O-CG 3.29Å; I191-L195 WeakPolarHBondContact O-CG 3.4Å; I191-L195 PolarHBondContact O-N 3.47Å |
| 192 | L | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65.1 | -34.4 | 179.9 | -65.4 | 179.4 | 0 | 0 | 0 | 112.3 | V104 A108 L188 L195 F196 F229 F232 L233 | V104-L192 HydrophobicContact CG1-CB 4.26Å; V104-L192 HydrophobicContact CG1-CD2 3.9Å; A108-L192 HydrophobicContact CB-CD1 3.67Å; A108-L192 HydrophobicContact CB-CD2 3.73Å; A108-L192 HydrophobicContact CB-CG 4.37Å; L188-L192 HydrophobicContact CD1-CD1 3.94Å; L188-L192 HydrophobicContact CD1-CD2 4.37Å; L188-L192 HydrophobicContact CD1-CG 3.96Å; L188-L192 HydrophobicContact CG-CD1 3.97Å; L188-L192 HydrophobicContact CG-CG 4.33Å; L188-L192 VanDerWaalsContact O-CG 3.31Å; L188-L192 WeakPolarHBondContact O-CG 3.26Å; L188-L192 PolarHBondContact O-N 3.01Å; L192-L195 HydrophobicContact CD2-CD1 4.34Å; L192-F196 PolarHBondContact O-N 3.04Å; L192-F229 HydrophobicContact CB-CE2 4.39Å; L192-F229 HydrophobicContact CB-CZ 4.38Å; L192-F232 HydrophobicContact CD1-CD1 4.33Å; L192-F232 HydrophobicContact CD1-CE1 3.77Å; L192-L233 HydrophobicContact CB-CD2 3.71Å |
| 193 | Y | 96.9 | Very high | 95.2 | Very high | 14 Ų | 14 | 17.6 Ų | 17.6 | 6% | 0.055 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.2 | -49.2 | 170.6 | -177.6 | -80.3 | 0 | 0 | 0 | 110.9 | G189 C190 I191 L195 F196 V197 P201 I219 Q220 W221 L233 | G189-Y193 WeakPolarHBondContact O-CB 3.45Å; G189-Y193 PolarHBondContact O-N 3.23Å; G189-Y193 VanDerWaalsContact O-N 3.08Å; C190-Y193 PolarHBondContact O-N 3.01Å; I191-Y193 VanDerWaalsContact C-N 3.29Å; I191-Y193 PolarHBondContact O-N 2.68Å; Y193-L195 PolarHBondContact O-N 2.86Å; Y193-F196 PolarHBondContact O-N 3.4Å; Y193-V197 HydrophobicContact CD1-CB 4.11Å; Y193-V197 HydrophobicContact CD1-CG2 3.93Å; Y193-V197 HydrophobicContact CD2-CG2 4.33Å; Y193-V197 HydrophobicContact CE1-CB 3.79Å; Y193-V197 HydrophobicContact CE1-CG1 3.93Å; Y193-V197 HydrophobicContact CE1-CG2 3.61Å; Y193-V197 HydrophobicContact CE2-CG2 4.04Å; Y193-V197 HydrophobicContact CG-CG2 4.28Å; Y193-V197 WeakPolarHBondContact O-CB 3.22Å; Y193-V197 WeakPolarHBondContact O-CG2 3.1Å; Y193-V197 PolarHBondContact O-N 3.19Å; Y193-P201 HydrophobicContact CD1-CB 3.71Å; Y193-P201 HydrophobicContact CD1-CG 4.19Å; Y193-P201 HydrophobicContact CD2-CB 4.33Å; Y193-P201 VanDerWaalsContact CE1-CA 3.46Å; Y193-P201 HydrophobicContact CE1-CB 3.85Å; Y193-P201 HydrophobicContact CE2-CB 4.45Å; Y193-P201 HydrophobicContact CG-CB 3.96Å; Y193-P201 HydrophobicContact CG-CG 4.37Å; Y193-I219 HydrophobicContact CD2-CG2 4.12Å; Y193-I219 HydrophobicContact CE2-CG2 3.56Å; Y193-Q220 VanDerWaalsContact CE2-O 3.32Å; Y193-Q220 WeakPolarHBondContact CE2-O 3.49Å; Y193-Q220 PolarHBondContact OH-O 2.81Å; Y193-W221 HydrophobicContact CD2-CZ3 4.33Å; Y193-W221 HydrophobicContact CE2-CE3 4.49Å; Y193-L233 HydrophobicContact CD2-CD1 4.36Å |
| 194 | E | 95.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 18.7 Ų | 18.7 | 5% | 0.051 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.5 | -42.3 | -179.6 | -175.3 | 172.7 | -165.7 | 0 | 0 | 112.4 | I93 P130 Y168 C190 I191 F196 V197 G198 | I93-E194 HydrophobicContact CD1-CG 3.92Å; P130-E194 WeakPolarHBondContact CG-OE2 3.44Å; Y168-E194 WeakPolarHBondContact CE1-OE2 3.37Å; Y168-E194 VanDerWaalsContact CZ-OE2 3.27Å; Y168-E194 PolarHBondContact OH-OE1 2.9Å; Y168-E194 PolarHBondContact OH-OE2 3.36Å; C190-E194 WeakPolarHBondContact O-CB 3.5Å; C190-E194 PolarHBondContact O-N 3.43Å; I191-E194 PolarHBondContact O-N 2.89Å; I191-E194 VanDerWaalsContact O-N 3.16Å; E194-F196 VanDerWaalsContact C-N 3.26Å; E194-F196 PolarHBondContact O-N 2.81Å; E194-V197 PolarHBondContact O-N 2.98Å; E194-G198 WeakPolarHBondContact O-CA 2.98Å; E194-G198 PolarHBondContact O-N 3.07Å |
| 195 | L | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.3 | -34.9 | 176.4 | -67.3 | 169.6 | 0 | 0 | 0 | 112.3 | L89 I93 L99 V104 V107 I191 L192 Y193 | L89-L195 HydrophobicContact CB-CD2 4.32Å; L89-L195 HydrophobicContact CD1-CD1 4.09Å; L89-L195 HydrophobicContact CD1-CD2 4.2Å; L89-L195 HydrophobicContact CD2-CD2 4.21Å; I93-L195 HydrophobicContact CD1-CD2 3.79Å; I93-L195 HydrophobicContact CG1-CD2 3.85Å; L99-L195 HydrophobicContact CD1-CB 4.35Å; L99-L195 HydrophobicContact CD1-CD2 3.87Å; L99-L195 PolarHBondContact N-O 3.2Å; V104-L195 HydrophobicContact CG2-CB 3.9Å; V107-L195 HydrophobicContact CB-CD1 4.41Å; V107-L195 HydrophobicContact CG1-CD1 3.87Å; I191-L195 HydrophobicContact CG2-CD1 3.99Å; I191-L195 HydrophobicContact CG2-CG 4.3Å; I191-L195 VanDerWaalsContact O-CG 3.29Å; I191-L195 WeakPolarHBondContact O-CG 3.4Å; I191-L195 PolarHBondContact O-N 3.47Å; L192-L195 HydrophobicContact CD2-CD1 4.34Å; Y193-L195 PolarHBondContact O-N 2.86Å |
| 196 | F | 95.5 | Very high | 93 | Very high | 13 Ų | 13 | 27.4 Ų | 27.4 | 6% | 0.057 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -83 | -35.8 | 179.9 | -175.3 | -97.1 | 0 | 0 | 0 | 113.1 | R98 E101 V104 L192 Y193 E194 P222 M225 F229 | R98-F196 WeakPolarHBondContact CB-O 3.5Å; E101-F196 HydrophobicContact CB-CD2 4.36Å; E101-F196 HydrophobicContact CB-CE2 4Å; V104-F196 HydrophobicContact CG2-CB 4.34Å; L192-F196 PolarHBondContact O-N 3.04Å; Y193-F196 PolarHBondContact O-N 3.4Å; E194-F196 VanDerWaalsContact C-N 3.26Å; E194-F196 PolarHBondContact O-N 2.81Å; F196-P222 HydrophobicContact CD1-CG 4.42Å; F196-P222 HydrophobicContact CE1-CB 4.26Å; F196-P222 HydrophobicContact CE1-CG 4.23Å; F196-M225 HydrophobicContact CD1-CE 3.49Å; F196-M225 VanDerWaalsContact CD1-CE 3.49Å; F196-M225 HydrophobicContact CE1-CB 3.85Å; F196-M225 HydrophobicContact CE1-CE 3.81Å; F196-M225 HydrophobicContact CE1-CG 4.29Å; F196-M225 HydrophobicContact CG-CE 4.27Å; F196-M225 HydrophobicContact CZ-CB 4.13Å; F196-F229 HydrophobicContact CB-CE1 3.84Å; F196-F229 HydrophobicContact CB-CZ 4.34Å; F196-F229 HydrophobicContact CD1-CE1 4.35Å; F196-F229 HydrophobicContact CD2-CD1 4.39Å; F196-F229 AromaticContact CD2-CE1 3.86Å; F196-F229 HydrophobicContact CD2-CE1 3.86Å; F196-F229 AromaticContact CG-CE1 3.75Å; F196-F229 HydrophobicContact CG-CE1 3.75Å |
| 197 | V | 94 | Very high | 92.2 | Very high | 43 Ų | 43 | 31.2 Ų | 31.2 | 26% | 0.261 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -94.4 | -27.1 | -174 | 179 | 0 | 0 | 0 | 0 | 112.7 | Y193 E194 T199 P222 | Y193-V197 HydrophobicContact CD1-CB 4.11Å; Y193-V197 HydrophobicContact CD1-CG2 3.93Å; Y193-V197 HydrophobicContact CD2-CG2 4.33Å; Y193-V197 HydrophobicContact CE1-CB 3.79Å; Y193-V197 HydrophobicContact CE1-CG1 3.93Å; Y193-V197 HydrophobicContact CE1-CG2 3.61Å; Y193-V197 HydrophobicContact CE2-CG2 4.04Å; Y193-V197 HydrophobicContact CG-CG2 4.28Å; Y193-V197 WeakPolarHBondContact O-CB 3.22Å; Y193-V197 WeakPolarHBondContact O-CG2 3.1Å; Y193-V197 PolarHBondContact O-N 3.19Å; E194-V197 PolarHBondContact O-N 2.98Å; V197-T199 VanDerWaalsContact C-N 3.33Å; V197-P222 HydrophobicContact CG2-CG 3.63Å |
| 198 | G | 91.8 | Very high | 91.2 | Very high | 19 Ų | 19 | 35.6 Ų | 35.6 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 86.8 | -3.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | G97 E194 | G97-G198 WeakPolarHBondContact O-CA 3.46Å; E194-G198 WeakPolarHBondContact O-CA 2.98Å; E194-G198 PolarHBondContact O-N 3.07Å |
| 199 | T | 91.3 | Very high | 90.4 | Very high | 82 Ų | 82 | 41 Ų | 41 | 50% | 0.503 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -142.4 | 148.6 | 175 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | V197 | V197-T199 VanDerWaalsContact C-N 3.33Š|
| 200 | P | 92.7 | Very high | 90 | Very high | 14 Ų | 14 | 41.4 Ų | 41.4 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | trans | -64.2 | 155.5 | 179.2 | 22.8 | -28.9 | 0 | 0 | 0 | 112 | L167 F202 Y203 | L167-P200 HydrophobicContact CD2-CG 4.35Å; P200-F202 PolarHBondContact O-N 3.19Å; P200-F202 VanDerWaalsContact O-N 3.12Å; P200-Y203 HydrophobicContact CG-CD2 4.3Å | ||
| 201 | P | 93.8 | Very high | 89.5 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 10% | 0.104 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -64.3 | -21.9 | -173.7 | 25.1 | -34.4 | 0 | 0 | 0 | 113.8 | C190 Y193 | C190-P201 HydrophobicContact CB-CG 4.15Å; Y193-P201 HydrophobicContact CD1-CB 3.71Å; Y193-P201 HydrophobicContact CD1-CG 4.19Å; Y193-P201 HydrophobicContact CD2-CB 4.33Å; Y193-P201 VanDerWaalsContact CE1-CA 3.46Å; Y193-P201 HydrophobicContact CE1-CB 3.85Å; Y193-P201 HydrophobicContact CE2-CB 4.45Å; Y193-P201 HydrophobicContact CG-CB 3.96Å; Y193-P201 HydrophobicContact CG-CG 4.37Å |
| 202 | F | 93.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -134.5 | 117.2 | 175.4 | -47.4 | -73.1 | 0 | 0 | 0 | 108.6 | L167 W186 P200 L210 M213 I214 I219 | L167-F202 WeakPolarHBondContact CD2-O 3.41Å; W186-F202 HydrophobicContact CH2-CE2 4.16Å; W186-F202 AromaticContact CZ2-CE2 3.75Å; W186-F202 HydrophobicContact CZ2-CE2 3.75Å; P200-F202 PolarHBondContact O-N 3.19Å; P200-F202 VanDerWaalsContact O-N 3.12Å; F202-L210 HydrophobicContact CB-CD1 3.89Å; F202-L210 WeakPolarHBondContact O-CD1 3.35Å; F202-M213 HydrophobicContact CB-CB 4.1Å; F202-M213 HydrophobicContact CB-CE 4.45Å; F202-M213 HydrophobicContact CD1-CB 3.98Å; F202-M213 HydrophobicContact CG-CB 4.37Å; F202-I214 HydrophobicContact CB-CG1 3.81Å; F202-I214 HydrophobicContact CD2-CB 4.4Å; F202-I214 HydrophobicContact CD2-CG1 3.66Å; F202-I214 HydrophobicContact CE2-CG1 4.43Å; F202-I214 HydrophobicContact CG-CG1 3.81Å; F202-I219 HydrophobicContact CE1-CG1 4.09Å; F202-I219 HydrophobicContact CE2-CG1 4.39Å; F202-I219 HydrophobicContact CZ-CD1 4.21Å; F202-I219 HydrophobicContact CZ-CG1 3.58Å |
| 203 | Y | 86.8 | Confident | 88.6 | Confident | 141 Ų | 141 | 50.2 Ų | 50.2 | 55% | 0.553 | 26% | 0.256 | S | S | * | . | trans | -142 | 138.7 | 179.8 | -179.7 | -95.6 | 0 | 0 | 0 | 110.4 | L167 P200 M213 | L167-Y203 HydrophobicContact CD2-CD2 4.12Å; P200-Y203 HydrophobicContact CG-CD2 4.3Å; Y203-M213 WeakPolarHBondContact O-CE 3.22Å | ||
| 204 | T | 86.3 | Confident | 88.3 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 18% | 0.178 | 25% | 0.253 | C | S | . | . | trans | -169.1 | 155 | 174.8 | 169.1 | 0 | 0 | 0 | 0 | 108.8 | S206 Q209 L210 M213 | T204-S206 VanDerWaalsContact CG2-O 3.27Å; T204-S206 WeakPolarHBondContact CG2-O 3.41Å; T204-S206 PolarHBondContact O-N 2.85Å; T204-S206 PolarHBondContact OG1-N 3.09Å; T204-Q209 HydrophobicContact CG2-CB 3.67Å; T204-Q209 PolarHBondContact OG1-OE1 3.14Å; T204-L210 VanDerWaalsContact CG2-CA 3.43Å; T204-L210 HydrophobicContact CG2-CB 3.57Å; T204-L210 HydrophobicContact CG2-CD1 4.37Å; T204-M213 HydrophobicContact CG2-SD 3.75Å | ||
| 205 | N | 78.7 | Confident | 88 | Confident | 149 Ų | 149 | 49.8 Ų | 49.8 | 80% | 0.797 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -77.9 | -0.2 | 177.3 | -59.6 | -15.7 | 0 | 0 | 0 | 112.6 | ||
| 206 | S | 78.9 | Confident | 87.5 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 27% | 0.266 | 28% | 0.277 | S | S | . | . | trans | -117.4 | 116.8 | 177.9 | 173.6 | 0 | 0 | 0 | 0 | 111 | T204 F208 Q209 L210 | T204-S206 VanDerWaalsContact CG2-O 3.27Å; T204-S206 WeakPolarHBondContact CG2-O 3.41Å; T204-S206 PolarHBondContact O-N 2.85Å; T204-S206 PolarHBondContact OG1-N 3.09Å; S206-F208 PolarHBondContact O-N 3.31Å; S206-F208 VanDerWaalsContact O-N 3.08Å; S206-F208 PolarHBondContact OG-N 3.05Å; S206-Q209 PolarHBondContact O-N 2.95Å; S206-Q209 PolarHBondContact OG-N 3.34Å; S206-L210 PolarHBondContact O-N 3.45Å | ||
| 207 | I | 80.2 | Confident | 87.2 | Confident | 79 Ų | 79 | 57 Ų | 57 | 41% | 0.405 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -53.7 | -32.7 | 175.5 | -170.2 | 59.5 | 0 | 0 | 0 | 112.2 | P166 L210 V211 | P166-I207 HydrophobicContact CB-CD1 3.64Å; P166-I207 HydrophobicContact CG-CD1 3.92Å; I207-L210 HydrophobicContact CD1-CD2 4.15Å; I207-L210 WeakPolarHBondContact O-CB 3.44Å; I207-L210 PolarHBondContact O-N 3.12Å; I207-V211 WeakPolarHBondContact O-CB 3.26Å; I207-V211 WeakPolarHBondContact O-CG2 3.47Å; I207-V211 PolarHBondContact O-N 3.39Å |
| 208 | F | 76.1 | Confident | 87 | Confident | 98 Ų | 98 | 59.6 Ų | 59.6 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72 | -42.6 | 178.8 | -56.1 | -49 | 0 | 0 | 0 | 112.9 | S206 L210 V211 K212 A304 | S206-F208 PolarHBondContact O-N 3.31Å; S206-F208 VanDerWaalsContact O-N 3.08Å; S206-F208 PolarHBondContact OG-N 3.05Å; F208-L210 VanDerWaalsContact C-N 3.27Å; F208-V211 PolarHBondContact O-N 3.47Å; F208-K212 PolarHBondContact O-N 3.17Å; F208-A304 HydrophobicContact CB-CB 4.17Å; F208-A304 HydrophobicContact CD1-CB 3.12Å; F208-A304 HydrophobicContact CE1-CB 3.64Å; F208-A304 HydrophobicContact CG-CB 3.93Å |
| 209 | Q | 81.5 | Confident | 87 | Confident | 113 Ų | 113 | 59.8 Ų | 59.8 | 53% | 0.528 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 171.1 | -70.6 | -174.4 | -1.7 | 0 | 0 | 110.5 | T204 S206 V211 K212 M213 | T204-Q209 HydrophobicContact CG2-CB 3.67Å; T204-Q209 PolarHBondContact OG1-OE1 3.14Å; S206-Q209 PolarHBondContact O-N 2.95Å; S206-Q209 PolarHBondContact OG-N 3.34Å; Q209-V211 PolarHBondContact O-N 2.85Å; Q209-K212 CarbonylContact O-C 3.54Å; Q209-K212 WeakPolarHBondContact O-CB 3.47Å; Q209-K212 PolarHBondContact O-N 3.01Å; Q209-K212 VanDerWaalsContact O-N 3.14Å; Q209-M213 WeakPolarHBondContact O-CB 3.46Å; Q209-M213 VanDerWaalsContact O-CG 3.22Å; Q209-M213 WeakPolarHBondContact O-CG 3.49Å; Q209-M213 PolarHBondContact O-N 3.31Å |
| 210 | L | 88.3 | Confident | 87 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 5% | 0.047 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 178.8 | -178.3 | 58.8 | 0 | 0 | 0 | 110.3 | P166 L167 F202 T204 S206 I207 F208 K212 M213 I214 | P166-L210 HydrophobicContact CB-CD2 3.93Å; L167-L210 HydrophobicContact CD2-CD1 3.85Å; L167-L210 HydrophobicContact CD2-CD2 3.82Å; L167-L210 HydrophobicContact CG-CD2 4.22Å; F202-L210 HydrophobicContact CB-CD1 3.89Å; F202-L210 WeakPolarHBondContact O-CD1 3.35Å; T204-L210 VanDerWaalsContact CG2-CA 3.43Å; T204-L210 HydrophobicContact CG2-CB 3.57Å; T204-L210 HydrophobicContact CG2-CD1 4.37Å; S206-L210 PolarHBondContact O-N 3.45Å; I207-L210 HydrophobicContact CD1-CD2 4.15Å; I207-L210 WeakPolarHBondContact O-CB 3.44Å; I207-L210 PolarHBondContact O-N 3.12Å; F208-L210 VanDerWaalsContact C-N 3.27Å; L210-K212 VanDerWaalsContact C-N 3.34Å; L210-K212 PolarHBondContact O-N 3.32Å; L210-M213 WeakPolarHBondContact O-CB 3.35Å; L210-M213 PolarHBondContact O-N 3.1Å; L210-M213 VanDerWaalsContact O-N 3.12Å; L210-I214 HydrophobicContact CD1-CD1 3.81Å; L210-I214 HydrophobicContact CD1-CG1 4.15Å; L210-I214 HydrophobicContact CG-CD1 3.8Å; L210-I214 HydrophobicContact CG-CG1 4.49Å; L210-I214 WeakPolarHBondContact O-CG1 3.32Å; L210-I214 PolarHBondContact O-N 3.37Å |
| 211 | V | 86.1 | Confident | 87 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.03 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57 | -44.6 | 173.6 | 165.5 | 0 | 0 | 0 | 0 | 111.5 | I174 I207 F208 Q209 T215 V300 L301 | I174-V211 HydrophobicContact CG2-CB 3.98Å; I174-V211 HydrophobicContact CG2-CG1 3.52Å; I174-V211 HydrophobicContact CG2-CG2 3.66Å; I207-V211 WeakPolarHBondContact O-CB 3.26Å; I207-V211 WeakPolarHBondContact O-CG2 3.47Å; I207-V211 PolarHBondContact O-N 3.39Å; F208-V211 PolarHBondContact O-N 3.47Å; Q209-V211 PolarHBondContact O-N 2.85Å; V211-T215 WeakPolarHBondContact O-CB 3.35Å; V211-T215 VanDerWaalsContact O-CG2 3.29Å; V211-T215 WeakPolarHBondContact O-CG2 3.44Å; V211-T215 PolarHBondContact O-N 3.49Å; V211-T215 PolarHBondContact O-OG1 3.23Å; V211-V300 HydrophobicContact CG2-CG1 4.01Å; V211-L301 HydrophobicContact CG1-CD2 3.28Å; V211-L301 HydrophobicContact CG1-CG 4.14Å |
| 212 | K | 85.8 | Confident | 86.8 | Confident | 133 Ų | 133 | 66.9 Ų | 66.9 | 58% | 0.578 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.9 | -38.7 | 175.5 | -174.9 | -178.7 | 176.6 | -178.3 | 0 | 112 | F208 Q209 L210 T215 K216 | F208-K212 PolarHBondContact O-N 3.17Å; Q209-K212 CarbonylContact O-C 3.54Å; Q209-K212 WeakPolarHBondContact O-CB 3.47Å; Q209-K212 PolarHBondContact O-N 3.01Å; Q209-K212 VanDerWaalsContact O-N 3.14Å; L210-K212 VanDerWaalsContact C-N 3.34Å; L210-K212 PolarHBondContact O-N 3.32Å; K212-T215 PolarHBondContact O-OG1 3.17Å; K212-K216 HydrophobicContact CG-CD 4.4Å; K212-K216 WeakPolarHBondContact O-CB 3.47Å; K212-K216 PolarHBondContact O-N 3.28Å |
| 213 | M | 90.5 | Very high | 86.5 | Confident | 47 Ų | 47 | 73.4 Ų | 73.4 | 23% | 0.232 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65 | -54.3 | 179 | -73.6 | 172 | 75.8 | 0 | 0 | 110.7 | F202 Y203 T204 Q209 L210 T215 K216 T217 K239 | F202-M213 HydrophobicContact CB-CB 4.1Å; F202-M213 HydrophobicContact CB-CE 4.45Å; F202-M213 HydrophobicContact CD1-CB 3.98Å; F202-M213 HydrophobicContact CG-CB 4.37Å; Y203-M213 WeakPolarHBondContact O-CE 3.22Å; T204-M213 HydrophobicContact CG2-SD 3.75Å; Q209-M213 WeakPolarHBondContact O-CB 3.46Å; Q209-M213 VanDerWaalsContact O-CG 3.22Å; Q209-M213 WeakPolarHBondContact O-CG 3.49Å; Q209-M213 PolarHBondContact O-N 3.31Å; L210-M213 WeakPolarHBondContact O-CB 3.35Å; L210-M213 PolarHBondContact O-N 3.1Å; L210-M213 VanDerWaalsContact O-N 3.12Å; M213-T215 VanDerWaalsContact C-N 3.32Å; M213-T215 PolarHBondContact O-N 3.18Å; M213-K216 PolarHBondContact O-N 3.08Å; M213-T217 WeakPolarHBondContact CA-OG1 3.47Å; M213-T217 WeakPolarHBondContact O-CB 3.28Å; M213-T217 PolarHBondContact O-N 2.63Å; M213-K239 PolarHBondContact O-NZ 3.17Å |
| 214 | I | 91.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59 | -44.2 | 179.5 | -64.7 | 168.5 | 0 | 0 | 0 | 110.7 | P166 P171 I174 W186 F202 L210 K239 | P166-I214 WeakPolarHBondContact O-CD1 3.18Å; P171-I214 HydrophobicContact CB-CG2 4.34Å; P171-I214 HydrophobicContact CG-CG2 3.9Å; I174-I214 HydrophobicContact CD1-CB 3.81Å; I174-I214 HydrophobicContact CD1-CD1 3.35Å; I174-I214 HydrophobicContact CD1-CG1 4.16Å; I174-I214 HydrophobicContact CD1-CG2 3.54Å; W186-I214 HydrophobicContact CZ2-CG2 3.93Å; F202-I214 HydrophobicContact CB-CG1 3.81Å; F202-I214 HydrophobicContact CD2-CB 4.4Å; F202-I214 HydrophobicContact CD2-CG1 3.66Å; F202-I214 HydrophobicContact CE2-CG1 4.43Å; F202-I214 HydrophobicContact CG-CG1 3.81Å; L210-I214 HydrophobicContact CD1-CD1 3.81Å; L210-I214 HydrophobicContact CD1-CG1 4.15Å; L210-I214 HydrophobicContact CG-CD1 3.8Å; L210-I214 HydrophobicContact CG-CG1 4.49Å; L210-I214 WeakPolarHBondContact O-CG1 3.32Å; L210-I214 PolarHBondContact O-N 3.37Å; I214-K239 VanDerWaalsContact O-CE 3.29Å; I214-K239 WeakPolarHBondContact O-CE 3.34Å; I214-K239 PolarHBondContact O-NZ 3.14Å |
| 215 | T | 87.8 | Confident | 87.1 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 10% | 0.098 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -76.5 | -34.7 | -178.1 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | I174 E175 V211 K212 M213 K239 | I174-T215 HydrophobicContact CG2-CG2 4.28Å; E175-T215 HydrophobicContact CG-CG2 3.77Å; V211-T215 WeakPolarHBondContact O-CB 3.35Å; V211-T215 VanDerWaalsContact O-CG2 3.29Å; V211-T215 WeakPolarHBondContact O-CG2 3.44Å; V211-T215 PolarHBondContact O-N 3.49Å; V211-T215 PolarHBondContact O-OG1 3.23Å; K212-T215 PolarHBondContact O-OG1 3.17Å; M213-T215 VanDerWaalsContact C-N 3.32Å; M213-T215 PolarHBondContact O-N 3.18Å; T215-K239 VanDerWaalsContact C-NZ 3.26Å; T215-K239 WeakPolarHBondContact O-CD 3.47Å; T215-K239 PolarHBondContact O-NZ 2.85Å |
| 216 | K | 86.8 | Confident | 87.9 | Confident | 106 Ų | 106 | 65 Ų | 65 | 46% | 0.461 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -123.6 | -29.3 | -169.7 | -61.1 | -177.1 | -178.6 | 175 | 0 | 116.8 | K212 M213 K239 | K212-K216 HydrophobicContact CG-CD 4.4Å; K212-K216 WeakPolarHBondContact O-CB 3.47Å; K212-K216 PolarHBondContact O-N 3.28Å; M213-K216 PolarHBondContact O-N 3.08Å; K216-K239 VanDerWaalsContact N-NZ 3.18Å |
| 217 | T | 88.1 | Confident | 88.6 | Confident | 58 Ų | 58 | 67.9 Ų | 67.9 | 36% | 0.356 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 137.4 | -172.7 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | M213 K239 | M213-T217 WeakPolarHBondContact CA-OG1 3.47Å; M213-T217 WeakPolarHBondContact O-CB 3.28Å; M213-T217 PolarHBondContact O-N 2.63Å; T217-K239 VanDerWaalsContact N-NZ 3.19Å; T217-K239 WeakPolarHBondContact O-CE 3.36Å; T217-K239 PolarHBondContact O-NZ 3.35Å |
| 218 | S | 89.8 | Confident | 89.4 | Confident | 97 Ų | 97 | 66.9 Ų | 66.9 | 68% | 0.678 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 146.7 | 174.1 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 219 | I | 92 | Very high | 90.4 | Very high | 23 Ų | 23 | 62.2 Ų | 62.2 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 137.6 | 178.7 | -63 | 156.8 | 0 | 0 | 0 | 109.7 | Y193 F202 W221 L237 | Y193-I219 HydrophobicContact CD2-CG2 4.12Å; Y193-I219 HydrophobicContact CE2-CG2 3.56Å; F202-I219 HydrophobicContact CE1-CG1 4.09Å; F202-I219 HydrophobicContact CE2-CG1 4.39Å; F202-I219 HydrophobicContact CZ-CD1 4.21Å; F202-I219 HydrophobicContact CZ-CG1 3.58Å; I219-W221 HydrophobicContact CB-CH2 4.49Å; I219-W221 HydrophobicContact CB-CZ2 3.93Å; I219-W221 HydrophobicContact CD1-CH2 4.34Å; I219-W221 HydrophobicContact CD1-CZ2 4.13Å; I219-W221 HydrophobicContact CG2-CD2 4.13Å; I219-W221 HydrophobicContact CG2-CE3 4.26Å; I219-W221 HydrophobicContact CG2-CH2 3.97Å; I219-W221 HydrophobicContact CG2-CZ2 3.82Å; I219-W221 HydrophobicContact CG2-CZ3 4.18Å; I219-W221 PolarHBondContact O-NE1 3.44Å; I219-L237 HydrophobicContact CD1-CB 3.43Å; I219-L237 VanDerWaalsContact CD1-CB 3.43Å; I219-L237 HydrophobicContact CD1-CD1 3.62Å; I219-L237 HydrophobicContact CD1-CG 4.13Å |
| 220 | Q | 90.8 | Very high | 91.1 | Very high | 160 Ų | 160 | 61 Ų | 61 | 75% | 0.748 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 126.7 | 172.6 | -62.1 | -173.2 | 8.3 | 0 | 0 | 109.3 | Y193 | Y193-Q220 VanDerWaalsContact CE2-O 3.32Å; Y193-Q220 WeakPolarHBondContact CE2-O 3.49Å; Y193-Q220 PolarHBondContact OH-O 2.81Å |
| 221 | W | 93.2 | Very high | 91.4 | Very high | 73 Ų | 73 | 63.5 Ų | 63.5 | 28% | 0.277 | 34% | 0.344 | S | S | . | . | trans | -105.1 | 119.1 | -176.9 | -59.2 | 103.3 | 0 | 0 | 0 | 110.1 | Y193 I219 M225 K230 L233 A234 | Y193-W221 HydrophobicContact CD2-CZ3 4.33Å; Y193-W221 HydrophobicContact CE2-CE3 4.49Å; I219-W221 HydrophobicContact CB-CH2 4.49Å; I219-W221 HydrophobicContact CB-CZ2 3.93Å; I219-W221 HydrophobicContact CD1-CH2 4.34Å; I219-W221 HydrophobicContact CD1-CZ2 4.13Å; I219-W221 HydrophobicContact CG2-CD2 4.13Å; I219-W221 HydrophobicContact CG2-CE3 4.26Å; I219-W221 HydrophobicContact CG2-CH2 3.97Å; I219-W221 HydrophobicContact CG2-CZ2 3.82Å; I219-W221 HydrophobicContact CG2-CZ3 4.18Å; I219-W221 PolarHBondContact O-NE1 3.44Å; W221-M225 HydrophobicContact CE3-CE 4.33Å; W221-M225 HydrophobicContact CE3-SD 3.75Å; W221-M225 HydrophobicContact CZ3-SD 4.1Å; W221-K230 HydrophobicContact CB-CD 4.26Å; W221-K230 HydrophobicContact CD2-CD 4.37Å; W221-K230 HydrophobicContact CD2-CG 4.04Å; W221-K230 HydrophobicContact CE3-CG 3.98Å; W221-K230 HydrophobicContact CG-CD 4.2Å; W221-K230 VanDerWaalsContact CG-CE 3.48Å; W221-K230 HydrophobicContact CG-CG 4.4Å; W221-K230 HydrophobicContact CZ3-CG 4.46Å; W221-L233 HydrophobicContact CH2-CB 3.73Å; W221-L233 HydrophobicContact CZ3-CB 3.59Å; W221-L233 HydrophobicContact CZ3-CD1 3.97Å; W221-L233 HydrophobicContact CZ3-CG 4.46Å; W221-A234 HydrophobicContact CH2-CB 4.11Å; W221-A234 HydrophobicContact CZ2-CB 3.92Å | ||
| 222 | P | 89.8 | Confident | 91.9 | Very high | 28 Ų | 28 | 63.3 Ų | 63.3 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | trans | -59.7 | 144.7 | 174.2 | -20.1 | 29.5 | 0 | 0 | 0 | 112.1 | F196 V197 D224 M225 | F196-P222 HydrophobicContact CD1-CG 4.42Å; F196-P222 HydrophobicContact CE1-CB 4.26Å; F196-P222 HydrophobicContact CE1-CG 4.23Å; V197-P222 HydrophobicContact CG2-CG 3.63Å; P222-D224 VanDerWaalsContact C-N 3.26Å; P222-D224 WeakPolarHBondContact CB-OD1 3.45Å; P222-D224 PolarHBondContact O-N 2.84Å; P222-M225 HydrophobicContact CG-CE 4.37Å; P222-M225 PolarHBondContact O-N 3.39Å | ||
| 223 | P | 87.3 | Confident | 92.5 | Very high | 140 Ų | 140 | 57 Ų | 57 | 91% | 0.909 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19.5 | 179.8 | 29.2 | -34.9 | 0 | 0 | 0 | 113.7 | M225 | P223-M225 VanDerWaalsContact C-N 3.35Š|
| 224 | D | 91.1 | Very high | 92.7 | Very high | 88 Ų | 88 | 56.6 Ų | 56.6 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.1 | 179.9 | 56 | -23.6 | 0 | 0 | 0 | 114 | R98 P222 | R98-D224 IonicContact CZ-OD2 3.59Å; R98-D224 IonicContact NH1-OD2 2.91Å; R98-D224 PolarHBondContact NH1-OD2 3.43Å; P222-D224 VanDerWaalsContact C-N 3.26Å; P222-D224 WeakPolarHBondContact CB-OD1 3.45Å; P222-D224 PolarHBondContact O-N 2.84Å |
| 225 | M | 94.7 | Very high | 93 | Very high | 17 Ų | 17 | 62.1 Ų | 62.1 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -81.8 | 131.5 | 177.6 | -172.2 | 177.3 | -75.2 | 0 | 0 | 111.9 | F196 W221 P222 P223 F229 K230 L233 | F196-M225 HydrophobicContact CD1-CE 3.49Å; F196-M225 VanDerWaalsContact CD1-CE 3.49Å; F196-M225 HydrophobicContact CE1-CB 3.85Å; F196-M225 HydrophobicContact CE1-CE 3.81Å; F196-M225 HydrophobicContact CE1-CG 4.29Å; F196-M225 HydrophobicContact CG-CE 4.27Å; F196-M225 HydrophobicContact CZ-CB 4.13Å; W221-M225 HydrophobicContact CE3-CE 4.33Å; W221-M225 HydrophobicContact CE3-SD 3.75Å; W221-M225 HydrophobicContact CZ3-SD 4.1Å; P222-M225 HydrophobicContact CG-CE 4.37Å; P222-M225 PolarHBondContact O-N 3.39Å; P223-M225 VanDerWaalsContact C-N 3.35Å; M225-F229 HydrophobicContact CE-CD1 4.2Å; M225-F229 HydrophobicContact CE-CE1 4.01Å; M225-F229 HydrophobicContact CG-CB 4.28Å; M225-F229 HydrophobicContact CG-CD1 3.67Å; M225-F229 HydrophobicContact CG-CE1 4.4Å; M225-F229 HydrophobicContact CG-CG 4.3Å; M225-F229 HydrophobicContact SD-CD1 4.17Å; M225-K230 HydrophobicContact CG-CB 4.11Å; M225-K230 HydrophobicContact SD-CB 3.81Å; M225-K230 HydrophobicContact SD-CG 4.31Å; M225-L233 HydrophobicContact CE-CD1 3.66Å; M225-L233 HydrophobicContact SD-CD1 3.92Å |
| 226 | S | 95.3 | Very high | 93.4 | Very high | 38 Ų | 38 | 61.4 Ų | 61.4 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | trans | -63.1 | 151.3 | 176.7 | 81.1 | 0 | 0 | 0 | 0 | 112.3 | E101 V228 F229 K230 | E101-S226 VanDerWaalsContact OE1-CB 3.3Å; E101-S226 WeakPolarHBondContact OE1-CB 3.24Å; E101-S226 PolarHBondContact OE1-OG 3.26Å; E101-S226 WeakPolarHBondContact OE2-CB 3.5Å; E101-S226 PolarHBondContact OE2-N 3.49Å; E101-S226 PolarHBondContact OE2-OG 3.11Å; E101-S226 VanDerWaalsContact OE2-OG 3.14Å; S226-V228 PolarHBondContact O-N 3.43Å; S226-F229 PolarHBondContact O-N 3.41Å; S226-F229 WeakPolarHBondContact OG-CB 3.5Å; S226-F229 PolarHBondContact OG-N 2.95Å; S226-F229 VanDerWaalsContact OG-N 3.09Å; S226-K230 WeakPolarHBondContact O-CB 3.2Å; S226-K230 PolarHBondContact O-N 3.37Å | ||
| 227 | S | 94.5 | Very high | 93.9 | Very high | 97 Ų | 97 | 56.7 Ų | 56.7 | 68% | 0.678 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.9 | -35.5 | 177.8 | 54.8 | 0 | 0 | 0 | 0 | 112.4 | D231 | S227-D231 WeakPolarHBondContact O-CB 3.42Å; S227-D231 PolarHBondContact O-N 3.28Å |
| 228 | V | 96.1 | Very high | 94.2 | Very high | 58 Ų | 58 | 57.5 Ų | 57.5 | 35% | 0.352 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.7 | -44.8 | 178.3 | 180 | 0 | 0 | 0 | 0 | 110.9 | S226 D231 F232 H253 P254 F255 | S226-V228 PolarHBondContact O-N 3.43Å; V228-D231 PolarHBondContact O-N 3.48Å; V228-F232 PolarHBondContact O-N 2.88Å; V228-F232 VanDerWaalsContact O-N 3.11Å; V228-H253 PolarHBondContact O-CE1 3.14Å; V228-P254 HydrophobicContact CG1-CB 4Å; V228-F255 HydrophobicContact CG1-CB 4.01Å; V228-F255 HydrophobicContact CG1-CD2 4.29Å |
| 229 | F | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 178.3 | -176.1 | -145.1 | 0 | 0 | 0 | 112 | E101 V104 L192 F196 M225 S226 D231 F232 L233 F255 | E101-F229 HydrophobicContact CG-CB 4.21Å; E101-F229 HydrophobicContact CG-CD1 3.78Å; E101-F229 HydrophobicContact CG-CE1 4.45Å; E101-F229 HydrophobicContact CG-CG 4.12Å; V104-F229 HydrophobicContact CG1-CE1 4.24Å; V104-F229 HydrophobicContact CG1-CE2 4.06Å; V104-F229 HydrophobicContact CG1-CZ 3.54Å; L192-F229 HydrophobicContact CB-CE2 4.39Å; L192-F229 HydrophobicContact CB-CZ 4.38Å; F196-F229 HydrophobicContact CB-CE1 3.84Å; F196-F229 HydrophobicContact CB-CZ 4.34Å; F196-F229 HydrophobicContact CD1-CE1 4.35Å; F196-F229 HydrophobicContact CD2-CD1 4.39Å; F196-F229 AromaticContact CD2-CE1 3.86Å; F196-F229 HydrophobicContact CD2-CE1 3.86Å; F196-F229 AromaticContact CG-CE1 3.75Å; F196-F229 HydrophobicContact CG-CE1 3.75Å; M225-F229 HydrophobicContact CE-CD1 4.2Å; M225-F229 HydrophobicContact CE-CE1 4.01Å; M225-F229 HydrophobicContact CG-CB 4.28Å; M225-F229 HydrophobicContact CG-CD1 3.67Å; M225-F229 HydrophobicContact CG-CE1 4.4Å; M225-F229 HydrophobicContact CG-CG 4.3Å; M225-F229 HydrophobicContact SD-CD1 4.17Å; S226-F229 PolarHBondContact O-N 3.41Å; S226-F229 WeakPolarHBondContact OG-CB 3.5Å; S226-F229 PolarHBondContact OG-N 2.95Å; S226-F229 VanDerWaalsContact OG-N 3.09Å; F229-D231 PolarHBondContact O-N 2.81Å; F229-F232 WeakPolarHBondContact O-CB 3.29Å; F229-F232 PolarHBondContact O-N 3.42Å; F229-L233 HydrophobicContact CD1-CD1 4.45Å; F229-L233 HydrophobicContact CD2-CD1 4.29Å; F229-L233 HydrophobicContact CD2-CG 4.05Å; F229-L233 HydrophobicContact CE1-CD1 3.92Å; F229-L233 HydrophobicContact CE2-CD1 3.76Å; F229-L233 HydrophobicContact CE2-CD2 3.9Å; F229-L233 HydrophobicContact CE2-CG 3.61Å; F229-L233 HydrophobicContact CZ-CD1 3.53Å; F229-L233 HydrophobicContact CZ-CD2 4.21Å; F229-L233 HydrophobicContact CZ-CG 3.93Å; F229-L233 PolarHBondContact O-N 3.04Å; F229-F255 HydrophobicContact CB-CD2 3.88Å; F229-F255 HydrophobicContact CB-CE2 3.53Å; F229-F255 HydrophobicContact CB-CZ 4.17Å; F229-F255 HydrophobicContact CD2-CD1 4.07Å; F229-F255 HydrophobicContact CD2-CD2 4.03Å; F229-F255 AromaticContact CD2-CE1 3.52Å; F229-F255 HydrophobicContact CD2-CE1 3.52Å; F229-F255 AromaticContact CD2-CE2 3.48Å; F229-F255 HydrophobicContact CD2-CE2 3.48Å; F229-F255 VanDerWaalsContact CD2-CE2 3.48Å; F229-F255 HydrophobicContact CD2-CG 4.31Å; F229-F255 AromaticContact CD2-CZ 3.19Å; F229-F255 HydrophobicContact CD2-CZ 3.19Å; F229-F255 AromaticContact CE2-CE1 3.76Å; F229-F255 HydrophobicContact CE2-CE1 3.76Å; F229-F255 HydrophobicContact CE2-CE2 4.37Å; F229-F255 AromaticContact CE2-CZ 3.65Å; F229-F255 HydrophobicContact CE2-CZ 3.65Å; F229-F255 HydrophobicContact CG-CD2 4.3Å; F229-F255 HydrophobicContact CG-CE1 4.47Å; F229-F255 AromaticContact CG-CE2 3.63Å; F229-F255 HydrophobicContact CG-CE2 3.63Å; F229-F255 AromaticContact CG-CZ 3.74Å; F229-F255 HydrophobicContact CG-CZ 3.74Å |
| 230 | K | 96.6 | Very high | 94.2 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 38% | 0.383 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 173.7 | -177.3 | 176 | 175.6 | 175.2 | 0 | 112.2 | W221 M225 S226 F232 L233 A234 | W221-K230 HydrophobicContact CB-CD 4.26Å; W221-K230 HydrophobicContact CD2-CD 4.37Å; W221-K230 HydrophobicContact CD2-CG 4.04Å; W221-K230 HydrophobicContact CE3-CG 3.98Å; W221-K230 HydrophobicContact CG-CD 4.2Å; W221-K230 VanDerWaalsContact CG-CE 3.48Å; W221-K230 HydrophobicContact CG-CG 4.4Å; W221-K230 HydrophobicContact CZ3-CG 4.46Å; M225-K230 HydrophobicContact CG-CB 4.11Å; M225-K230 HydrophobicContact SD-CB 3.81Å; M225-K230 HydrophobicContact SD-CG 4.31Å; S226-K230 WeakPolarHBondContact O-CB 3.2Å; S226-K230 PolarHBondContact O-N 3.37Å; K230-F232 VanDerWaalsContact C-N 3.33Å; K230-L233 PolarHBondContact O-N 3.02Å; K230-A234 WeakPolarHBondContact O-CB 3.46Å; K230-A234 PolarHBondContact O-N 3.49Å |
| 231 | D | 96.2 | Very high | 94.1 | Very high | 62 Ų | 62 | 51.2 Ų | 51.2 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 175.6 | -171.1 | 45 | 0 | 0 | 0 | 111 | S227 V228 F229 A234 R235 H253 | S227-D231 WeakPolarHBondContact O-CB 3.42Å; S227-D231 PolarHBondContact O-N 3.28Å; V228-D231 PolarHBondContact O-N 3.48Å; F229-D231 PolarHBondContact O-N 2.81Å; D231-A234 PolarHBondContact O-N 2.93Å; D231-R235 VanDerWaalsContact CG-NE 3.3Å; D231-R235 VanDerWaalsContact O-CG 3.28Å; D231-R235 WeakPolarHBondContact O-CG 3.37Å; D231-R235 PolarHBondContact O-N 3.06Å; D231-R235 VanDerWaalsContact O-N 3.09Å; D231-R235 IonicContact OD1-CZ 2.59Å; D231-R235 IonicContact OD1-NE 2.65Å; D231-R235 PolarHBondContact OD1-NE 3.37Å; D231-R235 IonicContact OD1-NH2 3.71Å; D231-R235 PolarHBondContact OD1-NH2 2.83Å; D231-R235 IonicContact OD2-CZ 3.41Å; D231-R235 IonicContact OD2-NE 3Å; D231-R235 PolarHBondContact OD2-NE 3.34Å; D231-R235 VanDerWaalsContact OD2-NE 3.08Å; D231-R235 IonicContact OD2-NH2 3.28Å; D231-R235 PolarHBondContact OD2-NH2 3.07Å; D231-H253 IonicContact OD2-NE2 3.76Å; D231-H253 PolarHBondContact OD2-NE2 3.1Å |
| 232 | F | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.1 | -53.5 | 176.5 | -169.5 | -118.3 | 0 | 0 | 0 | 112.2 | V112 L192 V228 F229 K230 R235 L236 L245 L250 H253 F255 V256 | V112-F232 HydrophobicContact CG2-CZ 4.45Å; L192-F232 HydrophobicContact CD1-CD1 4.33Å; L192-F232 HydrophobicContact CD1-CE1 3.77Å; V228-F232 PolarHBondContact O-N 2.88Å; V228-F232 VanDerWaalsContact O-N 3.11Å; F229-F232 WeakPolarHBondContact O-CB 3.29Å; F229-F232 PolarHBondContact O-N 3.42Å; K230-F232 VanDerWaalsContact C-N 3.33Å; F232-R235 PolarHBondContact O-N 3.08Å; F232-L236 HydrophobicContact CD1-CD1 3.86Å; F232-L236 HydrophobicContact CE1-CD1 3.53Å; F232-L236 HydrophobicContact CE2-CD1 4.41Å; F232-L236 HydrophobicContact CG-CD1 4.42Å; F232-L236 HydrophobicContact CZ-CD1 3.85Å; F232-L236 WeakPolarHBondContact O-CG 3.37Å; F232-L236 PolarHBondContact O-N 3.26Å; F232-L236 VanDerWaalsContact O-N 3.09Å; F232-L245 HydrophobicContact CD2-CD2 4.08Å; F232-L245 HydrophobicContact CE2-CD2 4.11Å; F232-L250 HydrophobicContact CE2-CD1 3.56Å; F232-L250 HydrophobicContact CZ-CD1 3.86Å; F232-H253 VanDerWaalsContact CB-CE1 3.42Å; F232-H253 WeakPolarHBondContact CB-CE1 3.22Å; F232-H253 HydrophobicContact CD2-CB 3.97Å; F232-H253 AromaticContact CD2-CE1 3.75Å; F232-H253 AromaticContact CD2-CG 3.47Å; F232-H253 VanDerWaalsContact CD2-CG 3.47Å; F232-H253 AromaticContact CD2-ND1 3.27Å; F232-H253 VanDerWaalsContact CD2-ND1 3.27Å; F232-H253 WeakPolarHBondContact CD2-ND1 3.27Å; F232-H253 HydrophobicContact CE2-CB 4.1Å; F232-H253 AromaticContact CG-ND1 3.88Å; F232-F255 HydrophobicContact CB-CB 3.99Å; F232-F255 HydrophobicContact CB-CD1 4.36Å; F232-F255 HydrophobicContact CB-CG 4.24Å; F232-F255 HydrophobicContact CD1-CB 4.44Å; F232-F255 AromaticContact CD1-CD1 3.52Å; F232-F255 HydrophobicContact CD1-CD1 3.52Å; F232-F255 HydrophobicContact CD1-CE1 4.13Å; F232-F255 HydrophobicContact CD1-CG 4.23Å; F232-F255 HydrophobicContact CD2-CB 4.19Å; F232-F255 AromaticContact CE1-CD1 3.85Å; F232-F255 HydrophobicContact CE1-CD1 3.85Å; F232-F255 HydrophobicContact CE1-CE1 4.41Å; F232-F255 HydrophobicContact CG-CB 3.97Å; F232-F255 AromaticContact CG-CD1 3.94Å; F232-F255 HydrophobicContact CG-CD1 3.94Å; F232-F255 HydrophobicContact CG-CG 4.21Å; F232-V256 HydrophobicContact CE1-CG1 4.22Å; F232-V256 HydrophobicContact CE2-CG1 4.12Å; F232-V256 HydrophobicContact CE2-CG2 4.13Å; F232-V256 HydrophobicContact CZ-CG1 3.73Å; F232-V256 HydrophobicContact CZ-CG2 4.39Å |
| 233 | L | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 179.3 | -72.1 | -179.7 | 0 | 0 | 0 | 112.2 | G189 L192 Y193 W221 M225 F229 K230 R235 L236 L237 | G189-L233 WeakPolarHBondContact O-CD2 3.5Å; L192-L233 HydrophobicContact CB-CD2 3.71Å; Y193-L233 HydrophobicContact CD2-CD1 4.36Å; W221-L233 HydrophobicContact CH2-CB 3.73Å; W221-L233 HydrophobicContact CZ3-CB 3.59Å; W221-L233 HydrophobicContact CZ3-CD1 3.97Å; W221-L233 HydrophobicContact CZ3-CG 4.46Å; M225-L233 HydrophobicContact CE-CD1 3.66Å; M225-L233 HydrophobicContact SD-CD1 3.92Å; F229-L233 HydrophobicContact CD1-CD1 4.45Å; F229-L233 HydrophobicContact CD2-CD1 4.29Å; F229-L233 HydrophobicContact CD2-CG 4.05Å; F229-L233 HydrophobicContact CE1-CD1 3.92Å; F229-L233 HydrophobicContact CE2-CD1 3.76Å; F229-L233 HydrophobicContact CE2-CD2 3.9Å; F229-L233 HydrophobicContact CE2-CG 3.61Å; F229-L233 HydrophobicContact CZ-CD1 3.53Å; F229-L233 HydrophobicContact CZ-CD2 4.21Å; F229-L233 HydrophobicContact CZ-CG 3.93Å; F229-L233 PolarHBondContact O-N 3.04Å; K230-L233 PolarHBondContact O-N 3.02Å; L233-R235 VanDerWaalsContact C-N 3.27Å; L233-R235 PolarHBondContact O-N 2.77Å; L233-L236 PolarHBondContact O-N 2.88Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 WeakPolarHBondContact O-CG 3.47Å; L233-L237 PolarHBondContact O-N 2.87Å |
| 234 | A | 95.8 | Very high | 94.3 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 32% | 0.322 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.6 | -34.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W221 K230 D231 Q238 | W221-A234 HydrophobicContact CH2-CB 4.11Å; W221-A234 HydrophobicContact CZ2-CB 3.92Å; K230-A234 WeakPolarHBondContact O-CB 3.46Å; K230-A234 PolarHBondContact O-N 3.49Å; D231-A234 PolarHBondContact O-N 2.93Å; A234-Q238 PolarHBondContact O-N 3.46Å |
| 235 | R | 96.6 | Very high | 94.4 | Very high | 117 Ų | 117 | 50.1 Ų | 50.1 | 44% | 0.442 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -79.1 | -31.6 | 176.6 | -62.8 | 175 | -174.2 | -137.9 | 14.3 | 112.9 | D231 F232 L233 R244 L245 | D231-R235 VanDerWaalsContact CG-NE 3.3Å; D231-R235 VanDerWaalsContact O-CG 3.28Å; D231-R235 WeakPolarHBondContact O-CG 3.37Å; D231-R235 PolarHBondContact O-N 3.06Å; D231-R235 VanDerWaalsContact O-N 3.09Å; D231-R235 IonicContact OD1-CZ 2.59Å; D231-R235 IonicContact OD1-NE 2.65Å; D231-R235 PolarHBondContact OD1-NE 3.37Å; D231-R235 IonicContact OD1-NH2 3.71Å; D231-R235 PolarHBondContact OD1-NH2 2.83Å; D231-R235 IonicContact OD2-CZ 3.41Å; D231-R235 IonicContact OD2-NE 3Å; D231-R235 PolarHBondContact OD2-NE 3.34Å; D231-R235 VanDerWaalsContact OD2-NE 3.08Å; D231-R235 IonicContact OD2-NH2 3.28Å; D231-R235 PolarHBondContact OD2-NH2 3.07Å; F232-R235 PolarHBondContact O-N 3.08Å; L233-R235 VanDerWaalsContact C-N 3.27Å; L233-R235 PolarHBondContact O-N 2.77Å; R235-R244 WeakPolarHBondContact O-CA 3.37Å; R235-R244 WeakPolarHBondContact O-CG 3.46Å; R235-L245 HydrophobicContact CB-CB 3.87Å; R235-L245 HydrophobicContact CB-CD2 4.15Å; R235-L245 HydrophobicContact CB-CG 4.43Å; R235-L245 PolarHBondContact O-N 3.06Å |
| 236 | L | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.1 | -40.8 | 172.3 | -74.3 | 173.5 | 0 | 0 | 0 | 112.4 | L185 L188 F232 L233 Q238 R244 L245 L250 | L185-L236 HydrophobicContact CB-CD2 4.03Å; L188-L236 HydrophobicContact CD2-CD1 4.33Å; L188-L236 HydrophobicContact CG-CD1 4.47Å; F232-L236 HydrophobicContact CD1-CD1 3.86Å; F232-L236 HydrophobicContact CE1-CD1 3.53Å; F232-L236 HydrophobicContact CE2-CD1 4.41Å; F232-L236 HydrophobicContact CG-CD1 4.42Å; F232-L236 HydrophobicContact CZ-CD1 3.85Å; F232-L236 WeakPolarHBondContact O-CG 3.37Å; F232-L236 PolarHBondContact O-N 3.26Å; F232-L236 VanDerWaalsContact O-N 3.09Å; L233-L236 PolarHBondContact O-N 2.88Å; L236-Q238 PolarHBondContact O-N 3.18Å; L236-R244 VanDerWaalsContact O-CD 3.27Å; L236-R244 WeakPolarHBondContact O-CD 3.32Å; L236-R244 VanDerWaalsContact O-CG 3.28Å; L236-R244 WeakPolarHBondContact O-CG 3.49Å; L236-L245 HydrophobicContact CD2-CB 4.32Å; L236-L245 HydrophobicContact CD2-CD2 4.48Å; L236-L245 HydrophobicContact CG-CD2 4.48Å; L236-L250 HydrophobicContact CD2-CD1 3.87Å |
| 237 | L | 96.7 | Very high | 94.1 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 27.5 | -179.2 | -61.6 | 175.5 | 0 | 0 | 0 | 113.1 | W186 C190 I219 L233 K239 | W186-L237 HydrophobicContact CD2-CD2 4.05Å; W186-L237 HydrophobicContact CE3-CD2 4.23Å; W186-L237 HydrophobicContact CZ2-CD2 4.36Å; W186-L237 VanDerWaalsContact CZ3-C 3.41Å; W186-L237 HydrophobicContact CZ3-CB 4.32Å; W186-L237 HydrophobicContact CZ3-CD2 4.49Å; W186-L237 VanDerWaalsContact CZ3-O 3.25Å; W186-L237 WeakPolarHBondContact CZ3-O 3.44Å; C190-L237 VanDerWaalsContact SG-CD2 3.56Å; I219-L237 HydrophobicContact CD1-CB 3.43Å; I219-L237 VanDerWaalsContact CD1-CB 3.43Å; I219-L237 HydrophobicContact CD1-CD1 3.62Å; I219-L237 HydrophobicContact CD1-CG 4.13Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 WeakPolarHBondContact O-CG 3.47Å; L233-L237 PolarHBondContact O-N 2.87Å; L237-K239 PolarHBondContact O-N 3.39Å |
| 238 | Q | 95.2 | Very high | 93.8 | Very high | 76 Ų | 76 | 48.3 Ų | 48.3 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | trans | -74.5 | 124.8 | 172.9 | 179.2 | 55.1 | -85.7 | 0 | 0 | 110.2 | A234 L236 D240 Q243 R244 | A234-Q238 PolarHBondContact O-N 3.46Å; L236-Q238 PolarHBondContact O-N 3.18Å; Q238-D240 WeakPolarHBondContact CG-O 3.41Å; Q238-Q243 HydrophobicContact CG-CB 3.57Å; Q238-R244 HydrophobicContact CB-CB 4.14Å; Q238-R244 HydrophobicContact CB-CG 4.42Å; Q238-R244 PolarHBondContact O-NE 2.72Å; Q238-R244 PolarHBondContact O-NH2 3.41Å | ||
| 239 | K | 92.6 | Very high | 93.6 | Very high | 53 Ų | 53 | 50.4 Ų | 50.4 | 23% | 0.23 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -71.6 | -32.6 | -175.9 | -58.4 | -167.1 | -174.7 | -155.9 | 0 | 112.4 | P171 W186 M213 I214 T215 K216 T217 L237 V241 | P171-K239 HydrophobicContact CG-CB 4.32Å; P171-K239 HydrophobicContact CG-CG 4.3Å; W186-K239 HydrophobicContact CH2-CG 4.21Å; W186-K239 HydrophobicContact CZ3-CG 4.25Å; M213-K239 PolarHBondContact O-NZ 3.17Å; I214-K239 VanDerWaalsContact O-CE 3.29Å; I214-K239 WeakPolarHBondContact O-CE 3.34Å; I214-K239 PolarHBondContact O-NZ 3.14Å; T215-K239 VanDerWaalsContact C-NZ 3.26Å; T215-K239 WeakPolarHBondContact O-CD 3.47Å; T215-K239 PolarHBondContact O-NZ 2.85Å; K216-K239 VanDerWaalsContact N-NZ 3.18Å; T217-K239 VanDerWaalsContact N-NZ 3.19Å; T217-K239 WeakPolarHBondContact O-CE 3.36Å; T217-K239 PolarHBondContact O-NZ 3.35Å; L237-K239 PolarHBondContact O-N 3.39Å; K239-V241 PolarHBondContact O-N 2.83Å |
| 240 | D | 89 | Confident | 93.5 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 39% | 0.39 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -79.6 | 111.3 | 169.9 | -173.3 | -3.1 | 0 | 0 | 0 | 110.4 | Q238 R242 Q243 R244 | Q238-D240 WeakPolarHBondContact CG-O 3.41Å; D240-R242 PolarHBondContact O-N 3.39Å; D240-R242 VanDerWaalsContact O-N 3.07Å; D240-R242 WeakPolarHBondContact OD1-CB 3.17Å; D240-R242 PolarHBondContact OD1-N 2.69Å; D240-Q243 HydrophobicContact CB-CB 4.3Å; D240-Q243 HydrophobicContact CB-CG 4.24Å; D240-Q243 PolarHBondContact O-N 2.93Å; D240-R244 PolarHBondContact O-N 3.04Å; D240-R244 VanDerWaalsContact O-N 3.1Å |
| 241 | V | 89.6 | Confident | 93.3 | Very high | 21 Ų | 21 | 47.5 Ų | 47.5 | 13% | 0.127 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -33.9 | 177.2 | -176.3 | 0 | 0 | 0 | 0 | 112.5 | E172 T182 K239 Q243 R244 Q246 | E172-V241 HydrophobicContact CB-CG2 4.11Å; E172-V241 HydrophobicContact CG-CG2 3.87Å; E172-V241 WeakPolarHBondContact OE2-CG2 3.47Å; T182-V241 WeakPolarHBondContact OG1-CG1 3.28Å; K239-V241 PolarHBondContact O-N 2.83Å; V241-Q243 VanDerWaalsContact C-N 3.25Å; V241-Q243 PolarHBondContact O-N 3.33Å; V241-R244 PolarHBondContact O-N 3.36Å; V241-Q246 PolarHBondContact O-NE2 2.79Å; V241-Q246 VanDerWaalsContact O-NE2 3.07Å |
| 242 | R | 86.6 | Confident | 93.1 | Very high | 156 Ų | 156 | 50 Ų | 50 | 59% | 0.589 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -21.2 | -179.1 | -63.5 | 178.6 | 175.8 | 177.8 | -0.5 | 113.3 | D240 E286 | D240-R242 PolarHBondContact O-N 3.39Å; D240-R242 VanDerWaalsContact O-N 3.07Å; D240-R242 WeakPolarHBondContact OD1-CB 3.17Å; D240-R242 PolarHBondContact OD1-N 2.69Å; R242-E286 IonicContact NH2-OE1 2.7Å; R242-E286 PolarHBondContact NH2-OE1 3.36Å; R242-E286 IonicContact NH2-OE2 3.39Å |
| 243 | Q | 91.5 | Very high | 93.1 | Very high | 132 Ų | 132 | 50.4 Ų | 50.4 | 62% | 0.617 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -7.3 | -178.5 | -61.9 | -65.3 | -23.2 | 0 | 0 | 112.2 | Q238 D240 V241 | Q238-Q243 HydrophobicContact CG-CB 3.57Å; D240-Q243 HydrophobicContact CB-CB 4.3Å; D240-Q243 HydrophobicContact CB-CG 4.24Å; D240-Q243 PolarHBondContact O-N 2.93Å; V241-Q243 VanDerWaalsContact C-N 3.25Å; V241-Q243 PolarHBondContact O-N 3.33Å |
| 244 | R | 95 | Very high | 92.9 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 2% | 0.019 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -68.2 | 141.1 | 177.5 | -167 | 179.5 | -60 | 151.9 | 6 | 110.2 | E172 T182 R235 L236 Q238 D240 V241 Q246 | E172-R244 IonicContact OE1-CZ 2.86Å; E172-R244 IonicContact OE1-NH1 2.92Å; E172-R244 PolarHBondContact OE1-NH1 3.3Å; E172-R244 IonicContact OE1-NH2 2.78Å; E172-R244 PolarHBondContact OE1-NH2 3.35Å; E172-R244 IonicContact OE2-CZ 3.51Å; E172-R244 IonicContact OE2-NH1 3.94Å; E172-R244 IonicContact OE2-NH2 3.62Å; E172-R244 PolarHBondContact OE2-NH2 3.18Å; T182-R244 PolarHBondContact O-NH1 3.44Å; R235-R244 WeakPolarHBondContact O-CA 3.37Å; R235-R244 WeakPolarHBondContact O-CG 3.46Å; L236-R244 VanDerWaalsContact O-CD 3.27Å; L236-R244 WeakPolarHBondContact O-CD 3.32Å; L236-R244 VanDerWaalsContact O-CG 3.28Å; L236-R244 WeakPolarHBondContact O-CG 3.49Å; Q238-R244 HydrophobicContact CB-CB 4.14Å; Q238-R244 HydrophobicContact CB-CG 4.42Å; Q238-R244 PolarHBondContact O-NE 2.72Å; Q238-R244 PolarHBondContact O-NH2 3.41Å; D240-R244 PolarHBondContact O-N 3.04Å; D240-R244 VanDerWaalsContact O-N 3.1Å; V241-R244 PolarHBondContact O-N 3.36Å; R244-Q246 WeakPolarHBondContact O-CG 3.42Å; R244-Q246 PolarHBondContact O-N 3.36Å |
| 245 | L | 93.8 | Very high | 92.9 | Very high | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.068 | 26% | 0.259 | C | S | . | . | trans | -54.8 | 130.5 | 176.5 | -164 | 55.2 | 0 | 0 | 0 | 110.5 | L185 F232 R235 L236 D249 L250 | L185-L245 VanDerWaalsContact CD1-O 3.29Å; L185-L245 WeakPolarHBondContact CD1-O 3.5Å; F232-L245 HydrophobicContact CD2-CD2 4.08Å; F232-L245 HydrophobicContact CE2-CD2 4.11Å; R235-L245 HydrophobicContact CB-CB 3.87Å; R235-L245 HydrophobicContact CB-CD2 4.15Å; R235-L245 HydrophobicContact CB-CG 4.43Å; R235-L245 PolarHBondContact O-N 3.06Å; L236-L245 HydrophobicContact CD2-CB 4.32Å; L236-L245 HydrophobicContact CD2-CD2 4.48Å; L236-L245 HydrophobicContact CG-CD2 4.48Å; L245-D249 HydrophobicContact CD1-CB 4.04Å; L245-L250 HydrophobicContact CD2-CB 4.46Å; L245-L250 HydrophobicContact CD2-CD1 3.41Å; L245-L250 VanDerWaalsContact CD2-CD1 3.41Å; L245-L250 HydrophobicContact CG-CB 4.1Å; L245-L250 HydrophobicContact CG-CD1 3.82Å | ||
| 246 | Q | 91.2 | Very high | 92.8 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 24% | 0.243 | 24% | 0.238 | C | C | . | . | trans | -133.6 | 178.9 | -177.8 | -45 | -165.8 | -8.3 | 0 | 0 | 110.9 | T182 V241 R244 D249 L250 | T182-Q246 HydrophobicContact CG2-CG 4Å; V241-Q246 PolarHBondContact O-NE2 2.79Å; V241-Q246 VanDerWaalsContact O-NE2 3.07Å; R244-Q246 WeakPolarHBondContact O-CG 3.42Å; R244-Q246 PolarHBondContact O-N 3.36Å; Q246-D249 PolarHBondContact O-N 2.88Å; Q246-D249 VanDerWaalsContact O-N 3.14Å; Q246-L250 WeakPolarHBondContact O-CB 3.44Å; Q246-L250 PolarHBondContact O-N 3.3Å | ||
| 247 | W | 91.9 | Very high | 92.4 | Very high | 14 Ų | 14 | 50 Ų | 50 | 5% | 0.053 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 143.7 | 171.4 | -48.8 | 105.7 | 0 | 0 | 0 | 111.4 | V112 L115 Y116 H119 H181 L185 L250 L251 T274 | V112-W247 HydrophobicContact CG1-CH2 3.7Å; V112-W247 HydrophobicContact CG1-CZ3 3.91Å; L115-W247 HydrophobicContact CB-CZ2 4.32Å; Y116-W247 AromaticContact CD2-CD2 3.94Å; Y116-W247 HydrophobicContact CD2-CD2 3.94Å; Y116-W247 AromaticContact CD2-CE3 3.64Å; Y116-W247 HydrophobicContact CD2-CE3 3.64Å; Y116-W247 AromaticContact CD2-CH2 3.89Å; Y116-W247 HydrophobicContact CD2-CH2 3.89Å; Y116-W247 HydrophobicContact CD2-CZ2 4.22Å; Y116-W247 AromaticContact CD2-CZ3 3.63Å; Y116-W247 HydrophobicContact CD2-CZ3 3.63Å; Y116-W247 HydrophobicContact CE2-CD2 4.44Å; Y116-W247 HydrophobicContact CE2-CE3 4.18Å; Y116-W247 HydrophobicContact CG-CH2 4.34Å; Y116-W247 HydrophobicContact CG-CZ3 4.44Å; H119-W247 AromaticContact ND1-CE2 3.82Å; H119-W247 AromaticContact ND1-CZ2 3.87Å; H119-W247 AromaticContact ND1-NE1 3.18Å; H119-W247 PolarHBondContact ND1-NE1 3.22Å; H119-W247 VanDerWaalsContact ND1-NE1 3.18Å; H181-W247 AromaticContact CD2-CD1 3.77Å; H181-W247 AromaticContact CD2-NE1 3.73Å; H181-W247 AromaticContact NE2-CD1 3.51Å; H181-W247 AromaticContact NE2-NE1 3.95Å; L185-W247 HydrophobicContact CD2-CZ2 4.18Å; W247-L250 HydrophobicContact CD2-CD2 4.32Å; W247-L250 HydrophobicContact CE3-CB 3.87Å; W247-L250 HydrophobicContact CE3-CD2 3.98Å; W247-L250 HydrophobicContact CE3-CG 4.28Å; W247-L250 HydrophobicContact CH2-CD2 3.52Å; W247-L250 HydrophobicContact CH2-CG 4.33Å; W247-L250 HydrophobicContact CZ2-CD2 3.83Å; W247-L250 HydrophobicContact CZ3-CB 3.99Å; W247-L250 HydrophobicContact CZ3-CD2 3.55Å; W247-L250 HydrophobicContact CZ3-CG 3.91Å; W247-L251 HydrophobicContact CE3-CD1 4.35Å; W247-L251 HydrophobicContact CE3-CD2 4.28Å; W247-L251 HydrophobicContact CE3-CG 3.84Å; W247-L251 HydrophobicContact CZ3-CD1 4.39Å; W247-L251 HydrophobicContact CZ3-CD2 3.57Å; W247-L251 HydrophobicContact CZ3-CG 3.66Å; W247-T274 WeakPolarHBondContact CB-O 3.43Å; W247-T274 HydrophobicContact CG-CG2 4.46Å |
| 248 | P | 89.7 | Confident | 91.7 | Very high | 49 Ų | 49 | 56.7 Ų | 56.7 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -83.5 | -13.7 | -0.1 | 33.5 | -34.7 | 0 | 0 | 0 | 114.5 | L250 L251 | P248-L250 PolarHBondContact O-N 3.41Å; P248-L251 WeakPolarHBondContact O-CB 3.36Å; P248-L251 PolarHBondContact O-N 3.26Å |
| 249 | D | 91.9 | Very high | 91.1 | Very high | 101 Ų | 101 | 58.8 Ų | 58.8 | 54% | 0.54 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -29.5 | -171.7 | -55.2 | -32 | 0 | 0 | 0 | 114.7 | L245 Q246 L251 D252 H253 | L245-D249 HydrophobicContact CD1-CB 4.04Å; Q246-D249 PolarHBondContact O-N 2.88Å; Q246-D249 VanDerWaalsContact O-N 3.14Å; D249-L251 VanDerWaalsContact C-N 3.28Å; D249-L251 PolarHBondContact O-N 3.25Å; D249-D252 PolarHBondContact O-N 2.97Å; D249-H253 PolarHBondContact O-N 2.87Å |
| 250 | L | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -36.6 | 174.7 | -178.8 | 63.4 | 0 | 0 | 0 | 112.8 | V112 L185 F232 L236 L245 Q246 W247 P248 D252 V256 | V112-L250 HydrophobicContact CG1-CD2 4.39Å; V112-L250 HydrophobicContact CG1-CG 4.43Å; L185-L250 HydrophobicContact CD1-CD2 4.17Å; L185-L250 HydrophobicContact CD2-CD2 3.6Å; F232-L250 HydrophobicContact CE2-CD1 3.56Å; F232-L250 HydrophobicContact CZ-CD1 3.86Å; L236-L250 HydrophobicContact CD2-CD1 3.87Å; L245-L250 HydrophobicContact CD2-CB 4.46Å; L245-L250 HydrophobicContact CD2-CD1 3.41Å; L245-L250 VanDerWaalsContact CD2-CD1 3.41Å; L245-L250 HydrophobicContact CG-CB 4.1Å; L245-L250 HydrophobicContact CG-CD1 3.82Å; Q246-L250 WeakPolarHBondContact O-CB 3.44Å; Q246-L250 PolarHBondContact O-N 3.3Å; W247-L250 HydrophobicContact CD2-CD2 4.32Å; W247-L250 HydrophobicContact CE3-CB 3.87Å; W247-L250 HydrophobicContact CE3-CD2 3.98Å; W247-L250 HydrophobicContact CE3-CG 4.28Å; W247-L250 HydrophobicContact CH2-CD2 3.52Å; W247-L250 HydrophobicContact CH2-CG 4.33Å; W247-L250 HydrophobicContact CZ2-CD2 3.83Å; W247-L250 HydrophobicContact CZ3-CB 3.99Å; W247-L250 HydrophobicContact CZ3-CD2 3.55Å; W247-L250 HydrophobicContact CZ3-CG 3.91Å; P248-L250 PolarHBondContact O-N 3.41Å; L250-D252 VanDerWaalsContact C-N 3.33Å; L250-V256 WeakPolarHBondContact O-CG2 3.29Å |
| 251 | L | 92.1 | Very high | 90.3 | Very high | 27 Ų | 27 | 62.2 Ų | 62.2 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -27.5 | 177.4 | -65.8 | 177 | 0 | 0 | 0 | 112.4 | V112 Y116 W247 P248 D249 H253 C257 I260 I262 | V112-L251 HydrophobicContact CG1-CD2 4.05Å; Y116-L251 HydrophobicContact CD2-CD1 3.97Å; Y116-L251 HydrophobicContact CE2-CD1 3.72Å; W247-L251 HydrophobicContact CE3-CD1 4.35Å; W247-L251 HydrophobicContact CE3-CD2 4.28Å; W247-L251 HydrophobicContact CE3-CG 3.84Å; W247-L251 HydrophobicContact CZ3-CD1 4.39Å; W247-L251 HydrophobicContact CZ3-CD2 3.57Å; W247-L251 HydrophobicContact CZ3-CG 3.66Å; P248-L251 WeakPolarHBondContact O-CB 3.36Å; P248-L251 PolarHBondContact O-N 3.26Å; D249-L251 VanDerWaalsContact C-N 3.28Å; D249-L251 PolarHBondContact O-N 3.25Å; L251-H253 VanDerWaalsContact C-N 3.3Å; L251-C257 VanDerWaalsContact O-CA 3.25Å; L251-C257 WeakPolarHBondContact O-CA 3.36Å; L251-C257 WeakPolarHBondContact O-CB 3.34Å; L251-I260 HydrophobicContact CD2-CD1 3.88Å; L251-I260 HydrophobicContact CD2-CG2 4.29Å; L251-I262 HydrophobicContact CD1-CD1 3.64Å; L251-I262 HydrophobicContact CD2-CD1 3.74Å; L251-I262 HydrophobicContact CG-CD1 4.37Å |
| 252 | D | 92.1 | Very high | 90.1 | Very high | 115 Ų | 115 | 62.2 Ų | 62.2 | 62% | 0.615 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -0.8 | -176.9 | -61.5 | -33.8 | 0 | 0 | 0 | 112.4 | D249 L250 | D249-D252 PolarHBondContact O-N 2.97Å; L250-D252 VanDerWaalsContact C-N 3.33Å |
| 253 | H | 95 | Very high | 89.8 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -71.3 | 132.6 | -178.5 | -168.5 | -83.8 | 0 | 0 | 0 | 111.7 | V228 D231 F232 D249 L251 F255 V256 C257 | V228-H253 PolarHBondContact O-CE1 3.14Å; D231-H253 IonicContact OD2-NE2 3.76Å; D231-H253 PolarHBondContact OD2-NE2 3.1Å; F232-H253 VanDerWaalsContact CB-CE1 3.42Å; F232-H253 WeakPolarHBondContact CB-CE1 3.22Å; F232-H253 HydrophobicContact CD2-CB 3.97Å; F232-H253 AromaticContact CD2-CE1 3.75Å; F232-H253 AromaticContact CD2-CG 3.47Å; F232-H253 VanDerWaalsContact CD2-CG 3.47Å; F232-H253 AromaticContact CD2-ND1 3.27Å; F232-H253 VanDerWaalsContact CD2-ND1 3.27Å; F232-H253 WeakPolarHBondContact CD2-ND1 3.27Å; F232-H253 HydrophobicContact CE2-CB 4.1Å; F232-H253 AromaticContact CG-ND1 3.88Å; D249-H253 PolarHBondContact O-N 2.87Å; L251-H253 VanDerWaalsContact C-N 3.3Å; H253-F255 WeakPolarHBondContact ND1-CB 3.42Å; H253-F255 PolarHBondContact ND1-N 3.47Å; H253-F255 VanDerWaalsContact ND1-N 3.17Å; H253-F255 PolarHBondContact O-N 3.41Å; H253-V256 HydrophobicContact CB-CG2 4.44Å; H253-V256 PolarHBondContact O-N 3.39Å; H253-C257 WeakPolarHBondContact O-CB 3.49Å; H253-C257 PolarHBondContact O-N 2.91Å |
| 254 | P | 94.3 | Very high | 89.2 | Confident | 91 Ų | 91 | 56.5 Ų | 56.5 | 59% | 0.591 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -20.1 | -175.7 | -27.3 | 34.1 | 0 | 0 | 0 | 116 | V228 V256 | V228-P254 HydrophobicContact CG1-CB 4Å; P254-V256 VanDerWaalsContact C-N 3.33Å |
| 255 | F | 95.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -27.6 | 177 | -167.4 | -110.7 | 0 | 0 | 0 | 113.1 | E101 R105 A108 V228 F229 F232 H253 | E101-F255 HydrophobicContact CG-CE2 4.08Å; E101-F255 HydrophobicContact CG-CZ 4.38Å; R105-F255 HydrophobicContact CB-CE1 4.06Å; R105-F255 HydrophobicContact CB-CE2 4.14Å; R105-F255 HydrophobicContact CB-CZ 3.63Å; R105-F255 WeakPolarHBondContact CD-O 3.47Å; R105-F255 HydrophobicContact CG-CD1 4.48Å; R105-F255 HydrophobicContact CG-CE1 4.11Å; R105-F255 HydrophobicContact CG-CE2 4.23Å; R105-F255 HydrophobicContact CG-CZ 3.97Å; R105-F255 WeakPolarHBondContact CG-O 3.49Å; A108-F255 HydrophobicContact CB-CE1 4Å; V228-F255 HydrophobicContact CG1-CB 4.01Å; V228-F255 HydrophobicContact CG1-CD2 4.29Å; F229-F255 HydrophobicContact CB-CD2 3.88Å; F229-F255 HydrophobicContact CB-CE2 3.53Å; F229-F255 HydrophobicContact CB-CZ 4.17Å; F229-F255 HydrophobicContact CD2-CD1 4.07Å; F229-F255 HydrophobicContact CD2-CD2 4.03Å; F229-F255 AromaticContact CD2-CE1 3.52Å; F229-F255 HydrophobicContact CD2-CE1 3.52Å; F229-F255 AromaticContact CD2-CE2 3.48Å; F229-F255 HydrophobicContact CD2-CE2 3.48Å; F229-F255 VanDerWaalsContact CD2-CE2 3.48Å; F229-F255 HydrophobicContact CD2-CG 4.31Å; F229-F255 AromaticContact CD2-CZ 3.19Å; F229-F255 HydrophobicContact CD2-CZ 3.19Å; F229-F255 AromaticContact CE2-CE1 3.76Å; F229-F255 HydrophobicContact CE2-CE1 3.76Å; F229-F255 HydrophobicContact CE2-CE2 4.37Å; F229-F255 AromaticContact CE2-CZ 3.65Å; F229-F255 HydrophobicContact CE2-CZ 3.65Å; F229-F255 HydrophobicContact CG-CD2 4.3Å; F229-F255 HydrophobicContact CG-CE1 4.47Å; F229-F255 AromaticContact CG-CE2 3.63Å; F229-F255 HydrophobicContact CG-CE2 3.63Å; F229-F255 AromaticContact CG-CZ 3.74Å; F229-F255 HydrophobicContact CG-CZ 3.74Å; F232-F255 HydrophobicContact CB-CB 3.99Å; F232-F255 HydrophobicContact CB-CD1 4.36Å; F232-F255 HydrophobicContact CB-CG 4.24Å; F232-F255 HydrophobicContact CD1-CB 4.44Å; F232-F255 AromaticContact CD1-CD1 3.52Å; F232-F255 HydrophobicContact CD1-CD1 3.52Å; F232-F255 HydrophobicContact CD1-CE1 4.13Å; F232-F255 HydrophobicContact CD1-CG 4.23Å; F232-F255 HydrophobicContact CD2-CB 4.19Å; F232-F255 AromaticContact CE1-CD1 3.85Å; F232-F255 HydrophobicContact CE1-CD1 3.85Å; F232-F255 HydrophobicContact CE1-CE1 4.41Å; F232-F255 HydrophobicContact CG-CB 3.97Å; F232-F255 AromaticContact CG-CD1 3.94Å; F232-F255 HydrophobicContact CG-CD1 3.94Å; F232-F255 HydrophobicContact CG-CG 4.21Å; H253-F255 WeakPolarHBondContact ND1-CB 3.42Å; H253-F255 PolarHBondContact ND1-N 3.47Å; H253-F255 VanDerWaalsContact ND1-N 3.17Å; H253-F255 PolarHBondContact O-N 3.41Å |
| 256 | V | 94.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | -18.9 | -171.4 | -59.7 | 0 | 0 | 0 | 0 | 115.2 | A108 F232 L250 H253 P254 D258 K259 I260 | A108-V256 HydrophobicContact CB-CG1 4.38Å; F232-V256 HydrophobicContact CE1-CG1 4.22Å; F232-V256 HydrophobicContact CE2-CG1 4.12Å; F232-V256 HydrophobicContact CE2-CG2 4.13Å; F232-V256 HydrophobicContact CZ-CG1 3.73Å; F232-V256 HydrophobicContact CZ-CG2 4.39Å; L250-V256 WeakPolarHBondContact O-CG2 3.29Å; H253-V256 HydrophobicContact CB-CG2 4.44Å; H253-V256 PolarHBondContact O-N 3.39Å; P254-V256 VanDerWaalsContact C-N 3.33Å; V256-D258 PolarHBondContact O-N 3.05Å; V256-K259 PolarHBondContact O-N 2.95Å; V256-K259 VanDerWaalsContact O-N 3.1Å; V256-I260 HydrophobicContact CB-CD1 3.56Å; V256-I260 HydrophobicContact CB-CG1 4.14Å; V256-I260 HydrophobicContact CG2-CD1 3.54Å; V256-I260 WeakPolarHBondContact O-CG1 3.43Å |
| 257 | C | 88.2 | Confident | 87.2 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -34.4 | -169.5 | 61.3 | 0 | 0 | 0 | 0 | 114.9 | L251 H253 | L251-C257 VanDerWaalsContact O-CA 3.25Å; L251-C257 WeakPolarHBondContact O-CA 3.36Å; L251-C257 WeakPolarHBondContact O-CB 3.34Å; H253-C257 WeakPolarHBondContact O-CB 3.49Å; H253-C257 PolarHBondContact O-N 2.91Å |
| 258 | D | 82.2 | Confident | 86.6 | Confident | 147 Ų | 147 | 68.4 Ų | 68.4 | 79% | 0.786 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -0.7 | -173.4 | -59.7 | -21.6 | 0 | 0 | 0 | 114 | V256 | V256-D258 PolarHBondContact O-N 3.05Š|
| 259 | K | 82.5 | Confident | 86 | Confident | 121 Ų | 121 | 69.7 Ų | 69.7 | 53% | 0.526 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134 | 5.7 | -168.6 | -66.2 | -168.2 | -179.4 | -166.3 | 0 | 115.3 | C109 V256 | C109-K259 HydrophobicContact CB-CB 4.27Å; C109-K259 VanDerWaalsContact SG-CB 3.55Å; V256-K259 PolarHBondContact O-N 2.95Å; V256-K259 VanDerWaalsContact O-N 3.1Å |
| 260 | I | 86.3 | Confident | 85.1 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | trans | -99.7 | 118.1 | 179 | -60.2 | 166.5 | 0 | 0 | 0 | 110.4 | C109 V112 L251 V256 I262 | C109-I260 HydrophobicContact CB-CG1 4.08Å; V112-I260 HydrophobicContact CB-CD1 3.96Å; V112-I260 HydrophobicContact CG1-CD1 3.44Å; V112-I260 VanDerWaalsContact CG1-CD1 3.44Å; V112-I260 HydrophobicContact CG1-CG1 4.47Å; L251-I260 HydrophobicContact CD2-CD1 3.88Å; L251-I260 HydrophobicContact CD2-CG2 4.29Å; V256-I260 HydrophobicContact CB-CD1 3.56Å; V256-I260 HydrophobicContact CB-CG1 4.14Å; V256-I260 HydrophobicContact CG2-CD1 3.54Å; V256-I260 WeakPolarHBondContact O-CG1 3.43Å; I260-I262 HydrophobicContact CG2-CD1 4.22Å; I260-I262 HydrophobicContact CG2-CG1 3.79Å | ||
| 261 | E | 80 | Confident | 84.7 | Confident | 174 Ų | 174 | 69 Ų | 69 | 81% | 0.813 | 38% | 0.383 | S | S | * | . | trans | -93.3 | 125.8 | 168 | -65.1 | -175.5 | 176.3 | 0 | 0 | 110.2 | S113 | S113-E261 PolarHBondContact OG-O 2.95Š| ||
| 262 | I | 83.9 | Confident | 84.3 | Confident | 21 Ų | 21 | 68.5 Ų | 68.5 | 11% | 0.108 | 38% | 0.381 | C | S | . | . | trans | -125.4 | 127.1 | 174.5 | -55.4 | 175 | 0 | 0 | 0 | 107.4 | Y116 L251 I260 V266 R267 | Y116-I262 HydrophobicContact CD1-CD1 3.83Å; Y116-I262 HydrophobicContact CD1-CG1 4.4Å; Y116-I262 HydrophobicContact CD1-CG2 3.62Å; Y116-I262 HydrophobicContact CD2-CD1 4.12Å; Y116-I262 HydrophobicContact CE1-CD1 4.07Å; Y116-I262 HydrophobicContact CE1-CG2 3.68Å; Y116-I262 HydrophobicContact CE2-CD1 4.35Å; Y116-I262 HydrophobicContact CG-CD1 3.84Å; L251-I262 HydrophobicContact CD1-CD1 3.64Å; L251-I262 HydrophobicContact CD2-CD1 3.74Å; L251-I262 HydrophobicContact CG-CD1 4.37Å; I260-I262 HydrophobicContact CG2-CD1 4.22Å; I260-I262 HydrophobicContact CG2-CG1 3.79Å; I262-V266 HydrophobicContact CG2-CB 4.32Å; I262-V266 HydrophobicContact CG2-CG1 4.33Å; I262-R267 HydrophobicContact CB-CG 4.33Å; I262-R267 HydrophobicContact CG2-CG 3.69Å | ||
| 263 | S | 81 | Confident | 84 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 43% | 0.434 | 35% | 0.354 | S | S | . | . | trans | -62.8 | 140.4 | -179.3 | 68.5 | 0 | 0 | 0 | 0 | 111.6 | G265 V266 R267 | S263-G265 PolarHBondContact O-N 3.33Å; S263-V266 PolarHBondContact O-N 3.26Å; S263-V266 VanDerWaalsContact O-N 3.07Å; S263-V266 WeakPolarHBondContact OG-CG2 3.4Å; S263-R267 PolarHBondContact O-N 3.4Å | ||
| 264 | P | 79.2 | Confident | 83.8 | Confident | 106 Ų | 106 | 63.2 Ų | 63.2 | 69% | 0.688 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -55.7 | -35.9 | -179 | -27.7 | 34.4 | 0 | 0 | 0 | 113.6 | V266 R267 L268 | P264-V266 VanDerWaalsContact C-N 3.34Å; P264-V266 PolarHBondContact O-N 3.21Å; P264-R267 PolarHBondContact O-N 2.95Å; P264-L268 WeakPolarHBondContact O-CG 3.34Å; P264-L268 PolarHBondContact O-N 3.11Å |
| 265 | G | 79.2 | Confident | 83.4 | Confident | 49 Ų | 49 | 63 Ų | 63 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S263 L268 | S263-G265 PolarHBondContact O-N 3.33Å; G265-L268 PolarHBondContact O-N 2.94Å |
| 266 | V | 80.4 | Confident | 82.8 | Confident | 13 Ų | 13 | 67 Ų | 67 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -73.4 | -36.9 | -179.6 | 175.2 | 0 | 0 | 0 | 0 | 111 | Y116 Y117 A120 I262 S263 P264 L268 L269 | Y116-V266 HydrophobicContact CD1-CG1 3.91Å; Y116-V266 HydrophobicContact CE1-CG1 4Å; Y117-V266 HydrophobicContact CD2-CG1 4.22Å; Y117-V266 HydrophobicContact CD2-CG2 3.56Å; Y117-V266 HydrophobicContact CE2-CG2 3.86Å; A120-V266 HydrophobicContact CB-CG1 3.72Å; I262-V266 HydrophobicContact CG2-CB 4.32Å; I262-V266 HydrophobicContact CG2-CG1 4.33Å; S263-V266 PolarHBondContact O-N 3.26Å; S263-V266 VanDerWaalsContact O-N 3.07Å; S263-V266 WeakPolarHBondContact OG-CG2 3.4Å; P264-V266 VanDerWaalsContact C-N 3.34Å; P264-V266 PolarHBondContact O-N 3.21Å; V266-L268 PolarHBondContact O-N 3.37Å; V266-L269 HydrophobicContact CG1-CD1 4.45Å; V266-L269 WeakPolarHBondContact O-CB 3.45Å; V266-L269 PolarHBondContact O-N 3.18Å |
| 267 | R | 79.1 | Confident | 82.3 | Confident | 136 Ų | 136 | 69 Ų | 69 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.2 | -27.2 | 174 | -68.9 | -171 | 178.7 | -167.1 | 0.1 | 112.7 | Y116 I262 S263 P264 | Y116-R267 HydrophobicContact CE1-CG 4.39Å; I262-R267 HydrophobicContact CB-CG 4.33Å; I262-R267 HydrophobicContact CG2-CG 3.69Å; S263-R267 PolarHBondContact O-N 3.4Å; P264-R267 PolarHBondContact O-N 2.95Å |
| 268 | L | 79.2 | Confident | 82.1 | Confident | 135 Ų | 135 | 69.8 Ų | 69.8 | 71% | 0.707 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -16.7 | 179.4 | -69.6 | 168.1 | 0 | 0 | 0 | 114 | P264 G265 V266 S270 | P264-L268 WeakPolarHBondContact O-CG 3.34Å; P264-L268 PolarHBondContact O-N 3.11Å; G265-L268 PolarHBondContact O-N 2.94Å; V266-L268 PolarHBondContact O-N 3.37Å; L268-S270 PolarHBondContact O-N 2.96Å; L268-S270 PolarHBondContact O-OG 3.48Å |
| 269 | L | 77 | Confident | 82 | Confident | 76 Ų | 76 | 68.3 Ų | 68.3 | 40% | 0.398 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -10.4 | -176 | -70.7 | 171.4 | 0 | 0 | 0 | 114.2 | A120 V266 S271 | A120-L269 HydrophobicContact CB-CB 4.4Å; A120-L269 HydrophobicContact CB-CD1 4.14Å; V266-L269 HydrophobicContact CG1-CD1 4.45Å; V266-L269 WeakPolarHBondContact O-CB 3.45Å; V266-L269 PolarHBondContact O-N 3.18Å; L269-S271 PolarHBondContact O-N 3.43Å |
| 270 | S | 72.3 | Confident | 82 | Confident | 85 Ų | 85 | 67 Ų | 67 | 59% | 0.594 | 39% | 0.389 | S | S | * | . | trans | 47.5 | 37.5 | 168.9 | -56.4 | 0 | 0 | 0 | 0 | 114 | L268 | L268-S270 PolarHBondContact O-N 2.96Å; L268-S270 PolarHBondContact O-OG 3.48Å | ||
| 271 | S | 84.8 | Confident | 81.9 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.007 | 40% | 0.397 | C | S | . | . | trans | -69.4 | 136 | -177.6 | 175.7 | 0 | 0 | 0 | 0 | 111 | H119 A120 L269 L273 T274 Q275 | H119-S271 PolarHBondContact O-OG 3.32Å; A120-S271 VanDerWaalsContact O-CB 3.3Å; A120-S271 WeakPolarHBondContact O-CB 3.46Å; L269-S271 PolarHBondContact O-N 3.43Å; S271-L273 PolarHBondContact O-N 3.3Å; S271-L273 PolarHBondContact OG-N 3.12Å; S271-T274 PolarHBondContact O-N 3.29Å; S271-T274 PolarHBondContact O-OG1 3.05Å; S271-Q275 WeakPolarHBondContact O-CB 3.33Å; S271-Q275 PolarHBondContact O-N 3.27Å; S271-Q275 VanDerWaalsContact O-N 3.1Å | ||
| 272 | P | 83.6 | Confident | 82.1 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -11.7 | 170.9 | -22 | 33.2 | 0 | 0 | 0 | 114.2 | L157 L277 | L157-P272 HydrophobicContact CD2-CB 4.35Å; P272-L277 HydrophobicContact CB-CD2 3.72Å; P272-L277 VanDerWaalsContact O-CD2 3.25Å; P272-L277 WeakPolarHBondContact O-CD2 3.33Å |
| 273 | L | 87 | Confident | 82.1 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 5% | 0.047 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -14.2 | 177 | -53.7 | -174.7 | 0 | 0 | 0 | 113.2 | H119 R122 L124 M152 H181 S271 | H119-L273 HydrophobicContact CB-CB 4.32Å; R122-L273 HydrophobicContact CB-CD1 4.36Å; L124-L273 HydrophobicContact CD1-CD1 3.98Å; M152-L273 HydrophobicContact CG-CD1 4.44Å; H181-L273 HydrophobicContact CB-CD1 4.37Å; H181-L273 PolarHBondContact CE1-O 2.68Å; H181-L273 VanDerWaalsContact CE1-O 3.31Å; H181-L273 PolarHBondContact NE2-O 3.42Å; S271-L273 PolarHBondContact O-N 3.3Å; S271-L273 PolarHBondContact OG-N 3.12Å |
| 274 | T | 89.7 | Confident | 82.2 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 3% | 0.025 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -5.5 | 178.9 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | Y116 H119 A120 W247 S271 | Y116-T274 HydrophobicContact CD2-CG2 4.2Å; Y116-T274 HydrophobicContact CE2-CG2 4.09Å; H119-T274 HydrophobicContact CB-CG2 3.71Å; A120-T274 HydrophobicContact CB-CG2 4.15Å; W247-T274 WeakPolarHBondContact CB-O 3.43Å; W247-T274 HydrophobicContact CG-CG2 4.46Å; S271-T274 PolarHBondContact O-N 3.29Å; S271-T274 PolarHBondContact O-OG1 3.05Å |
| 275 | Q | 86.1 | Confident | 82.6 | Confident | 85 Ų | 85 | 63.7 Ų | 63.7 | 40% | 0.397 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -118.6 | 152.9 | 178.3 | -68.2 | -71.6 | -17.3 | 0 | 0 | 110 | S271 L277 | S271-Q275 WeakPolarHBondContact O-CB 3.33Å; S271-Q275 PolarHBondContact O-N 3.27Å; S271-Q275 VanDerWaalsContact O-N 3.1Å; Q275-L277 PolarHBondContact O-N 3.32Å |
| 276 | P | 82.9 | Confident | 82.9 | Confident | 88 Ų | 88 | 64.5 Ų | 64.5 | 57% | 0.571 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 128.4 | 172 | -24.7 | 34.5 | 0 | 0 | 0 | 111.5 | ||
| 277 | L | 83.2 | Confident | 83.1 | Confident | 43 Ų | 43 | 70 Ų | 70 | 23% | 0.225 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 135.3 | 178.6 | -66.4 | 167.9 | 0 | 0 | 0 | 110.6 | P272 Q275 Q281 L282 K285 | P272-L277 HydrophobicContact CB-CD2 3.72Å; P272-L277 VanDerWaalsContact O-CD2 3.25Å; P272-L277 WeakPolarHBondContact O-CD2 3.33Å; Q275-L277 PolarHBondContact O-N 3.32Å; L277-Q281 HydrophobicContact CB-CB 4.14Å; L277-Q281 HydrophobicContact CD2-CB 3.92Å; L277-L282 HydrophobicContact CB-CB 4.39Å; L277-L282 HydrophobicContact CD1-CD1 4.29Å; L277-K285 HydrophobicContact CD1-CD 3.52Å |
| 278 | T | 84.4 | Confident | 83.4 | Confident | 70 Ų | 70 | 64 Ų | 64 | 43% | 0.429 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 156.4 | 169.3 | 61 | 0 | 0 | 0 | 0 | 110.6 | S280 Q281 L282 | T278-S280 PolarHBondContact O-N 3.06Å; T278-S280 VanDerWaalsContact O-N 3.09Å; T278-Q281 PolarHBondContact O-N 2.99Å; T278-Q281 WeakPolarHBondContact OG1-CB 3.25Å; T278-Q281 VanDerWaalsContact OG1-CD 3.26Å; T278-Q281 VanDerWaalsContact OG1-CG 3.23Å; T278-Q281 WeakPolarHBondContact OG1-CG 3.45Å; T278-Q281 PolarHBondContact OG1-N 3.4Å; T278-Q281 PolarHBondContact OG1-OE1 3.35Å; T278-L282 PolarHBondContact O-N 3.46Å |
| 279 | P | 81.1 | Confident | 83.7 | Confident | 115 Ų | 115 | 60.5 Ų | 60.5 | 75% | 0.747 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -52.7 | -35.5 | 177.1 | -28.4 | 35.2 | 0 | 0 | 0 | 113.7 | A283 | P279-A283 WeakPolarHBondContact O-CB 3.28Å; P279-A283 PolarHBondContact O-N 3.42Å |
| 280 | S | 80.7 | Confident | 83.8 | Confident | 93 Ų | 93 | 62 Ų | 62 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68 | -43.7 | 175.1 | 176.5 | 0 | 0 | 0 | 0 | 112.5 | T278 A283 E284 | T278-S280 PolarHBondContact O-N 3.06Å; T278-S280 VanDerWaalsContact O-N 3.09Å; S280-A283 PolarHBondContact O-N 3.07Å; S280-E284 WeakPolarHBondContact O-CB 3.39Å; S280-E284 PolarHBondContact O-N 3.46Å |
| 281 | Q | 85.1 | Confident | 84 | Confident | 61 Ų | 61 | 63.7 Ų | 63.7 | 29% | 0.285 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.1 | -35.3 | 176.9 | -70.9 | 164.5 | -33.2 | 0 | 0 | 112.3 | L157 L277 T278 E284 K285 | L157-Q281 WeakPolarHBondContact CD1-O 3.15Å; L277-Q281 HydrophobicContact CB-CB 4.14Å; L277-Q281 HydrophobicContact CD2-CB 3.92Å; T278-Q281 PolarHBondContact O-N 2.99Å; T278-Q281 WeakPolarHBondContact OG1-CB 3.25Å; T278-Q281 VanDerWaalsContact OG1-CD 3.26Å; T278-Q281 VanDerWaalsContact OG1-CG 3.23Å; T278-Q281 WeakPolarHBondContact OG1-CG 3.45Å; T278-Q281 PolarHBondContact OG1-N 3.4Å; T278-Q281 PolarHBondContact OG1-OE1 3.35Å; Q281-E284 PolarHBondContact O-N 2.95Å; Q281-K285 WeakPolarHBondContact O-CB 3.4Å; Q281-K285 PolarHBondContact O-N 2.86Å |
| 282 | L | 84.6 | Confident | 83.6 | Confident | 104 Ų | 104 | 67.1 Ų | 67.1 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 174.3 | -173.9 | 69 | 0 | 0 | 0 | 111 | L277 T278 E284 K285 E286 | L277-L282 HydrophobicContact CB-CB 4.39Å; L277-L282 HydrophobicContact CD1-CD1 4.29Å; T278-L282 PolarHBondContact O-N 3.46Å; L282-E284 VanDerWaalsContact C-N 3.31Å; L282-E284 PolarHBondContact O-N 3.08Å; L282-K285 PolarHBondContact O-N 3.47Å; L282-E286 PolarHBondContact O-N 2.75Å |
| 283 | A | 83 | Confident | 82.9 | Confident | 62 Ų | 62 | 69.8 Ų | 69.8 | 51% | 0.512 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P279 S280 E286 R287 | P279-A283 WeakPolarHBondContact O-CB 3.28Å; P279-A283 PolarHBondContact O-N 3.42Å; S280-A283 PolarHBondContact O-N 3.07Å; A283-E286 PolarHBondContact O-N 3.23Å; A283-R287 WeakPolarHBondContact O-CB 3.17Å; A283-R287 PolarHBondContact O-N 3.48Å |
| 284 | E | 84.7 | Confident | 81.5 | Confident | 57 Ų | 57 | 74.6 Ų | 74.6 | 27% | 0.266 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 176.1 | 180 | 54.8 | -154.2 | 0 | 0 | 112.3 | L157 S280 Q281 L282 E286 R287 Q288 | L157-E284 HydrophobicContact CD1-CB 4.5Å; L157-E284 HydrophobicContact CD1-CG 4.39Å; S280-E284 WeakPolarHBondContact O-CB 3.39Å; S280-E284 PolarHBondContact O-N 3.46Å; Q281-E284 PolarHBondContact O-N 2.95Å; L282-E284 VanDerWaalsContact C-N 3.31Å; L282-E284 PolarHBondContact O-N 3.08Å; E284-E286 PolarHBondContact O-N 3.02Å; E284-R287 WeakPolarHBondContact O-CB 3.48Å; E284-R287 PolarHBondContact O-N 3.29Å; E284-R287 IonicContact OE1-CZ 2.75Å; E284-R287 IonicContact OE1-NE 3.1Å; E284-R287 PolarHBondContact OE1-NE 2.76Å; E284-R287 IonicContact OE1-NH2 3.45Å; E284-R287 PolarHBondContact OE1-NH2 3.14Å; E284-R287 IonicContact OE2-CZ 3.57Å; E284-R287 IonicContact OE2-NE 3.65Å; E284-R287 PolarHBondContact OE2-NE 3.45Å; E284-R287 IonicContact OE2-NH2 2.75Å; E284-Q288 WeakPolarHBondContact O-CG 3.36Å; E284-Q288 PolarHBondContact O-N 3.38Å; E284-Q288 WeakPolarHBondContact OE1-CG 3.43Å; E284-Q288 PolarHBondContact OE1-NE2 3.35Å |
| 285 | K | 86.9 | Confident | 79.5 | Confident | 34 Ų | 34 | 80 Ų | 80 | 15% | 0.148 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 173.8 | -174.8 | 176.6 | 178.2 | -179.6 | 0 | 111.2 | L157 V158 D180 L277 Q281 L282 Q288 R289 | L157-K285 HydrophobicContact CB-CB 4.2Å; L157-K285 HydrophobicContact CB-CG 4.13Å; L157-K285 HydrophobicContact CD1-CB 3.79Å; V158-K285 HydrophobicContact CG1-CG 4.13Å; D180-K285 WeakPolarHBondContact OD2-CE 3.33Å; D180-K285 IonicContact OD2-NZ 3.4Å; D180-K285 PolarHBondContact OD2-NZ 3.5Å; L277-K285 HydrophobicContact CD1-CD 3.52Å; Q281-K285 WeakPolarHBondContact O-CB 3.4Å; Q281-K285 PolarHBondContact O-N 2.86Å; L282-K285 PolarHBondContact O-N 3.47Å; K285-Q288 PolarHBondContact O-N 2.95Å; K285-R289 VanDerWaalsContact O-CB 3.31Å; K285-R289 WeakPolarHBondContact O-CB 3.19Å; K285-R289 PolarHBondContact O-N 2.92Å |
| 286 | E | 84.6 | Confident | 77.6 | Confident | 67 Ų | 67 | 81.3 Ų | 81.3 | 31% | 0.313 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 176.9 | -167.8 | 66.2 | -174 | 0 | 0 | 111.2 | R242 L282 A283 E284 R289 L290 | R242-E286 IonicContact NH2-OE1 2.7Å; R242-E286 PolarHBondContact NH2-OE1 3.36Å; R242-E286 IonicContact NH2-OE2 3.39Å; L282-E286 PolarHBondContact O-N 2.75Å; A283-E286 PolarHBondContact O-N 3.23Å; E284-E286 PolarHBondContact O-N 3.02Å; E286-R289 PolarHBondContact O-N 3.19Å; E286-L290 HydrophobicContact CG-CD1 4.23Å; E286-L290 WeakPolarHBondContact O-CB 3.42Å; E286-L290 VanDerWaalsContact O-CG 3.27Å; E286-L290 WeakPolarHBondContact O-CG 3.3Å; E286-L290 PolarHBondContact O-N 3.37Å |
| 287 | R | 85.8 | Confident | 76.1 | Confident | 128 Ų | 128 | 78.4 Ų | 78.4 | 48% | 0.483 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.5 | -48.5 | 172.5 | -169.2 | -169.3 | 74.9 | 90.5 | 5.1 | 111.3 | A283 E284 L290 L291 | A283-R287 WeakPolarHBondContact O-CB 3.17Å; A283-R287 PolarHBondContact O-N 3.48Å; E284-R287 WeakPolarHBondContact O-CB 3.48Å; E284-R287 PolarHBondContact O-N 3.29Å; E284-R287 IonicContact OE1-CZ 2.75Å; E284-R287 IonicContact OE1-NE 3.1Å; E284-R287 PolarHBondContact OE1-NE 2.76Å; E284-R287 IonicContact OE1-NH2 3.45Å; E284-R287 PolarHBondContact OE1-NH2 3.14Å; E284-R287 IonicContact OE2-CZ 3.57Å; E284-R287 IonicContact OE2-NE 3.65Å; E284-R287 PolarHBondContact OE2-NE 3.45Å; E284-R287 IonicContact OE2-NH2 2.75Å; R287-L290 PolarHBondContact O-N 2.99Å; R287-L291 HydrophobicContact CG-CD1 4.02Å; R287-L291 WeakPolarHBondContact O-CB 3.26Å; R287-L291 VanDerWaalsContact O-CG 3.26Å; R287-L291 WeakPolarHBondContact O-CG 3.3Å; R287-L291 PolarHBondContact O-N 2.98Å |
| 288 | Q | 85.9 | Confident | 74.6 | Confident | 11 Ų | 11 | 76.5 Ų | 76.5 | 5% | 0.051 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 177.3 | -70.4 | 177.4 | 28.4 | 0 | 0 | 111.6 | N155 V158 E284 K285 L290 L291 M292 | N155-Q288 PolarHBondContact O-NE2 3.04Å; V158-Q288 HydrophobicContact CG2-CB 3.55Å; E284-Q288 WeakPolarHBondContact O-CG 3.36Å; E284-Q288 PolarHBondContact O-N 3.38Å; E284-Q288 WeakPolarHBondContact OE1-CG 3.43Å; E284-Q288 PolarHBondContact OE1-NE2 3.35Å; K285-Q288 PolarHBondContact O-N 2.95Å; Q288-L290 VanDerWaalsContact C-N 3.34Å; Q288-L290 PolarHBondContact O-N 3.33Å; Q288-L291 PolarHBondContact O-N 3.5Å; Q288-M292 VanDerWaalsContact O-CB 3.24Å; Q288-M292 WeakPolarHBondContact O-CB 3Å; Q288-M292 VanDerWaalsContact O-CG 3.26Å; Q288-M292 WeakPolarHBondContact O-CG 3.3Å; Q288-M292 PolarHBondContact O-N 3.36Å |
| 289 | R | 83.7 | Confident | 73.1 | Confident | 60 Ų | 60 | 77.9 Ų | 77.9 | 23% | 0.226 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 175.3 | -174.4 | -178.2 | 176.3 | 169.3 | 1.8 | 111.3 | P178 K285 E286 M292 L293 | P178-R289 HydrophobicContact CB-CG 4.25Å; P178-R289 HydrophobicContact CG-CG 4.31Å; K285-R289 VanDerWaalsContact O-CB 3.31Å; K285-R289 WeakPolarHBondContact O-CB 3.19Å; K285-R289 PolarHBondContact O-N 2.92Å; E286-R289 PolarHBondContact O-N 3.19Å; R289-M292 PolarHBondContact O-N 2.96Å; R289-L293 HydrophobicContact CG-CD1 4.34Å; R289-L293 WeakPolarHBondContact O-CB 3.26Å; R289-L293 WeakPolarHBondContact O-CD1 3.48Å; R289-L293 WeakPolarHBondContact O-CG 3.05Å; R289-L293 PolarHBondContact O-N 3.13Å |
| 290 | L | 79.6 | Confident | 71.7 | Confident | 109 Ų | 109 | 74.7 Ų | 74.7 | 57% | 0.571 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.5 | -40.4 | 177.2 | -70.7 | 170.8 | 0 | 0 | 0 | 112.9 | E286 R287 Q288 M292 L293 | E286-L290 HydrophobicContact CG-CD1 4.23Å; E286-L290 WeakPolarHBondContact O-CB 3.42Å; E286-L290 VanDerWaalsContact O-CG 3.27Å; E286-L290 WeakPolarHBondContact O-CG 3.3Å; E286-L290 PolarHBondContact O-N 3.37Å; R287-L290 PolarHBondContact O-N 2.99Å; Q288-L290 VanDerWaalsContact C-N 3.34Å; Q288-L290 PolarHBondContact O-N 3.33Å; L290-M292 VanDerWaalsContact C-N 3.34Å; L290-L293 HydrophobicContact CD2-CD1 4.11Å |
| 291 | L | 76.4 | Confident | 70.4 | Confident | 119 Ų | 119 | 71.3 Ų | 71.3 | 62% | 0.623 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -69.2 | -31.7 | 177.3 | -72.7 | 169.8 | 0 | 0 | 0 | 113.1 | R287 Q288 | R287-L291 HydrophobicContact CG-CD1 4.02Å; R287-L291 WeakPolarHBondContact O-CB 3.26Å; R287-L291 VanDerWaalsContact O-CG 3.26Å; R287-L291 WeakPolarHBondContact O-CG 3.3Å; R287-L291 PolarHBondContact O-N 2.98Å; Q288-L291 PolarHBondContact O-N 3.5Å |
| 292 | M | 76.1 | Confident | 68.9 | Low | 73 Ų | 73 | 73.4 Ų | 73.4 | 36% | 0.36 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -93.3 | -6.7 | -178.2 | -68 | -170 | -174.3 | 0 | 0 | 113.7 | V158 T160 P178 Q288 R289 L290 R294 | V158-M292 HydrophobicContact CG2-SD 3.8Å; T160-M292 HydrophobicContact CG2-CB 3.7Å; T160-M292 HydrophobicContact CG2-CG 4.28Å; T160-M292 HydrophobicContact CG2-SD 3.98Å; P178-M292 HydrophobicContact CB-CB 4.26Å; P178-M292 HydrophobicContact CG-CB 3.68Å; Q288-M292 VanDerWaalsContact O-CB 3.24Å; Q288-M292 WeakPolarHBondContact O-CB 3Å; Q288-M292 VanDerWaalsContact O-CG 3.26Å; Q288-M292 WeakPolarHBondContact O-CG 3.3Å; Q288-M292 PolarHBondContact O-N 3.36Å; R289-M292 PolarHBondContact O-N 2.96Å; L290-M292 VanDerWaalsContact C-N 3.34Å; M292-R294 PolarHBondContact O-N 2.97Å |
| 293 | L | 68.8 | Low | 67.3 | Low | 73 Ų | 73 | 77.2 Ų | 77.2 | 38% | 0.382 | 38% | 0.376 | S | S | . | . | trans | -67.8 | 119.8 | 174.5 | -92.5 | 159.6 | 0 | 0 | 0 | 109.9 | P178 R289 L290 | P178-L293 HydrophobicContact CG-CG 4.31Å; R289-L293 HydrophobicContact CG-CD1 4.34Å; R289-L293 WeakPolarHBondContact O-CB 3.26Å; R289-L293 WeakPolarHBondContact O-CD1 3.48Å; R289-L293 WeakPolarHBondContact O-CG 3.05Å; R289-L293 PolarHBondContact O-N 3.13Å; L290-L293 HydrophobicContact CD2-CD1 4.11Å | ||
| 294 | R | 57.8 | Low | 65.5 | Low | 111 Ų | 111 | 75.8 Ų | 75.8 | 42% | 0.419 | 36% | 0.364 | S | S | . | . | trans | -72.1 | 130.2 | 176.2 | -72.8 | -176.7 | 172.6 | 169.1 | 2.2 | 110.3 | E176 M292 N296 | E176-R294 IonicContact OE2-CZ 3.46Å; E176-R294 IonicContact OE2-NH1 3.72Å; E176-R294 PolarHBondContact OE2-NH1 3.25Å; M292-R294 PolarHBondContact O-N 2.97Å; R294-N296 PolarHBondContact O-N 2.71Å; R294-N296 VanDerWaalsContact O-N 3.08Å | ||
| 295 | P | 48.4 | Very low | 63.3 | Low | 118 Ų | 118 | 73.8 Ų | 73.8 | 77% | 0.766 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.3 | -178.9 | 17.7 | -28.1 | 0 | 0 | 0 | 114.2 | ||
| 296 | N | 46.3 | Very low | 60.7 | Low | 111 Ų | 111 | 72.9 Ų | 72.9 | 59% | 0.594 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 16.2 | -169.6 | -63.5 | -5.8 | 0 | 0 | 0 | 115.3 | R294 R302 | R294-N296 PolarHBondContact O-N 2.71Å; R294-N296 VanDerWaalsContact O-N 3.08Å; N296-R302 PolarHBondContact O-NE 2.96Å; N296-R302 PolarHBondContact O-NH1 2.91Å |
| 297 | G | 50.7 | Low | 58.6 | Low | 28 Ų | 28 | 71.6 Ų | 71.6 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | trans | 69.1 | 174 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R299 R302 | G297-R299 PolarHBondContact O-N 3.14Å; G297-R302 PolarHBondContact O-NH2 2.64Å | ||
| 298 | S | 51.5 | Low | 56.5 | Low | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.014 | 36% | 0.358 | C | S | . | . | trans | -56.9 | 129.7 | -177 | 167.3 | 0 | 0 | 0 | 0 | 112.7 | I174 E175 V300 L301 R302 | I174-S298 PolarHBondContact O-OG 3.11Å; E175-S298 WeakPolarHBondContact O-CB 3Å; S298-V300 VanDerWaalsContact C-N 3.31Å; S298-V300 PolarHBondContact OG-N 2.91Å; S298-L301 PolarHBondContact O-N 3.42Å; S298-L301 PolarHBondContact OG-N 3.37Å; S298-R302 WeakPolarHBondContact O-CG 3.06Å; S298-R302 PolarHBondContact O-N 3.17Å; S298-R302 PolarHBondContact O-NE 3.45Å | ||
| 299 | R | 53.8 | Low | 54.2 | Low | 99 Ų | 99 | 74.1 Ų | 74.1 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.7 | -36.1 | 170.5 | -60.9 | 172.1 | 167.1 | 174.4 | -3 | 110.5 | E176 G297 R302 R303 | E176-R299 WeakPolarHBondContact OE1-CA 3.29Å; E176-R299 WeakPolarHBondContact OE1-CB 3.25Å; E176-R299 PolarHBondContact OE1-N 2.96Å; E176-R299 PolarHBondContact OE2-N 3.12Å; E176-R299 VanDerWaalsContact OE2-N 3.1Å; G297-R299 PolarHBondContact O-N 3.14Å; R299-R302 PolarHBondContact O-N 2.96Å; R299-R303 WeakPolarHBondContact O-CG 3.48Å; R299-R303 PolarHBondContact O-N 3.33Å |
| 300 | V | 52.4 | Low | 52 | Low | 49 Ų | 49 | 73.9 Ų | 73.9 | 30% | 0.297 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 173.8 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | I162 E176 V211 S298 R302 R303 A304 | I162-V300 HydrophobicContact CD1-CG2 4.33Å; E176-V300 PolarHBondContact OE1-N 3.46Å; V211-V300 HydrophobicContact CG2-CG1 4.01Å; S298-V300 VanDerWaalsContact C-N 3.31Å; S298-V300 PolarHBondContact OG-N 2.91Å; V300-R302 PolarHBondContact O-N 2.88Å; V300-R303 PolarHBondContact O-N 2.86Å; V300-A304 WeakPolarHBondContact O-CB 2.94Å; V300-A304 PolarHBondContact O-N 3.41Å |
| 301 | L | 52 | Low | 49.9 | Very low | 21 Ų | 21 | 75.3 Ų | 75.3 | 11% | 0.11 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.5 | -29.9 | 176.8 | -73 | 169.2 | 0 | 0 | 0 | 113.6 | E175 V211 S298 G305 F309 | E175-L301 HydrophobicContact CB-CD1 4.41Å; E175-L301 HydrophobicContact CG-CD1 3.92Å; V211-L301 HydrophobicContact CG1-CD2 3.28Å; V211-L301 HydrophobicContact CG1-CG 4.14Å; S298-L301 PolarHBondContact O-N 3.42Å; S298-L301 PolarHBondContact OG-N 3.37Å; L301-G305 WeakPolarHBondContact O-CA 3.32Å; L301-G305 PolarHBondContact O-N 3.42Å; L301-F309 HydrophobicContact CB-CD2 4.17Å; L301-F309 HydrophobicContact CB-CE2 3.66Å; L301-F309 HydrophobicContact CB-CZ 3.99Å; L301-F309 HydrophobicContact CD1-CE2 3.75Å; L301-F309 HydrophobicContact CD1-CZ 3.76Å; L301-F309 HydrophobicContact CD2-CE2 4.05Å; L301-F309 HydrophobicContact CG-CE2 4.04Å; L301-F309 HydrophobicContact CG-CZ 4.4Å |
| 302 | R | 55 | Low | 47.9 | Very low | 106 Ų | 106 | 73 Ų | 73 | 40% | 0.4 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -71.3 | -37.6 | 173.6 | -79.6 | -178.6 | -73.7 | -175.2 | -7.4 | 113 | N296 G297 S298 R299 V300 A304 G305 | N296-R302 PolarHBondContact O-NE 2.96Å; N296-R302 PolarHBondContact O-NH1 2.91Å; G297-R302 PolarHBondContact O-NH2 2.64Å; S298-R302 WeakPolarHBondContact O-CG 3.06Å; S298-R302 PolarHBondContact O-N 3.17Å; S298-R302 PolarHBondContact O-NE 3.45Å; R299-R302 PolarHBondContact O-N 2.96Å; V300-R302 PolarHBondContact O-N 2.88Å; R302-A304 VanDerWaalsContact C-N 3.35Å; R302-G305 CarbonylContact O-C 3.48Å |
| 303 | R | 49.1 | Very low | 45.9 | Very low | 183 Ų | 183 | 75.5 Ų | 75.5 | 69% | 0.691 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -73.1 | -29.5 | 173 | -72.4 | -179.6 | 173.9 | -175.2 | -6.5 | 112.3 | R299 V300 | R299-R303 WeakPolarHBondContact O-CG 3.48Å; R299-R303 PolarHBondContact O-N 3.33Å; V300-R303 PolarHBondContact O-N 2.86Å |
| 304 | A | 46.3 | Very low | 44.3 | Very low | 33 Ų | 33 | 78 Ų | 78 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -78.3 | -24.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | F208 V300 R302 | F208-A304 HydrophobicContact CB-CB 4.17Å; F208-A304 HydrophobicContact CD1-CB 3.12Å; F208-A304 HydrophobicContact CE1-CB 3.64Å; F208-A304 HydrophobicContact CG-CB 3.93Å; V300-A304 WeakPolarHBondContact O-CB 2.94Å; V300-A304 PolarHBondContact O-N 3.41Å; R302-A304 VanDerWaalsContact C-N 3.35Å |
| 305 | G | 38.4 | Very low | 43.2 | Very low | 14 Ų | 14 | 77 Ų | 77 | 14% | 0.144 | 40% | 0.401 | C | S | . | . | trans | -116.6 | 82.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L301 R302 N817 | L301-G305 WeakPolarHBondContact O-CA 3.32Å; L301-G305 PolarHBondContact O-N 3.42Å; R302-G305 CarbonylContact O-C 3.48Å; G305-N817 PolarHBondContact O-ND2 3.43Å | ||
| 306 | G | 31.9 | Very low | 42.6 | Very low | 16 Ų | 16 | 78.8 Ų | 78.8 | 17% | 0.165 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -46 | 165.3 | 132.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q308 D815 N817 | G306-Q308 PolarHBondContact O-N 2.62Å; G306-D815 VanDerWaalsContact CA-OD2 3.29Å; G306-D815 WeakPolarHBondContact CA-OD2 3.34Å; G306-N817 VanDerWaalsContact C-CB 3.42Å; G306-N817 VanDerWaalsContact C-CG 3.5Å; G306-N817 WeakPolarHBondContact CA-ND2 2.99Å |
| 307 | D | 40.7 | Very low | 42 | Very low | 39 Ų | 39 | 80.5 Ų | 80.5 | 21% | 0.209 | 40% | 0.401 | C | S | . | . | S | Bend | -55.6 | 14.1 | -127.5 | -116.6 | -38.6 | 0 | 0 | 0 | 121.6 | D815 I816 N817 | D307-D815 PolarHBondContact N-OD1 2.96Å; D307-D815 PolarHBondContact N-OD2 2.82Å; D307-I816 HydrophobicContact CB-CB 3.65Å; D307-I816 VanDerWaalsContact CG-C 3.44Å; D307-I816 VanDerWaalsContact OD2-CA 3.3Å; D307-I816 WeakPolarHBondContact OD2-CA 3.37Å; D307-I816 WeakPolarHBondContact OD2-CB 3.49Å; D307-I816 WeakPolarHBondContact OD2-CG2 3.46Å; D307-I816 VanDerWaalsContact OD2-O 3.08Å; D307-N817 VanDerWaalsContact CA-CB 3.4Å; D307-N817 WeakPolarHBondContact CA-ND2 3.4Å; D307-N817 HydrophobicContact CB-CB 3.56Å; D307-N817 VanDerWaalsContact CB-CG 3.47Å; D307-N817 VanDerWaalsContact CG-CB 3.47Å; D307-N817 PolarHBondContact N-ND2 2.78Å; D307-N817 PolarHBondContact OD1-OD1 2.82Å; D307-N817 WeakPolarHBondContact OD2-CA 3.39Å; D307-N817 PolarHBondContact OD2-N 3.27Å; D307-N817 PolarHBondContact OD2-OD1 2.82Å | |
| 308 | Q | 41.2 | Very low | 41.2 | Very low | 121 Ų | 121 | 85.8 Ų | 85.8 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -98.3 | -12.3 | -165.5 | -55.7 | -169.6 | 6.3 | 0 | 0 | 111.9 | G306 G310 K311 L312 | G306-Q308 PolarHBondContact O-N 2.62Å; Q308-G310 VanDerWaalsContact C-N 3.33Å; Q308-G310 PolarHBondContact O-N 3.31Å; Q308-K311 PolarHBondContact O-N 3.32Å; Q308-L312 WeakPolarHBondContact O-CD1 3.5Å; Q308-L312 PolarHBondContact O-N 3.35Å |
| 309 | F | 38.6 | Very low | 40.4 | Very low | 71 Ų | 71 | 92.6 Ų | 92.6 | 31% | 0.311 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -72.2 | -25.7 | 179.4 | -148 | -96.8 | 0 | 0 | 0 | 113.2 | L301 | L301-F309 HydrophobicContact CB-CD2 4.17Å; L301-F309 HydrophobicContact CB-CE2 3.66Å; L301-F309 HydrophobicContact CB-CZ 3.99Å; L301-F309 HydrophobicContact CD1-CE2 3.75Å; L301-F309 HydrophobicContact CD1-CZ 3.76Å; L301-F309 HydrophobicContact CD2-CE2 4.05Å; L301-F309 HydrophobicContact CG-CE2 4.04Å; L301-F309 HydrophobicContact CG-CZ 4.4Å |
| 310 | G | 37.2 | Very low | 39.4 | Very low | 55 Ų | 55 | 96.7 Ų | 96.7 | 57% | 0.567 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67 | -36.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q308 | Q308-G310 VanDerWaalsContact C-N 3.33Å; Q308-G310 PolarHBondContact O-N 3.31Å |
| 311 | K | 36.4 | Very low | 38.5 | Very low | 139 Ų | 139 | 100 Ų | 100 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -79.1 | -29.7 | 177.8 | -71.1 | 179.1 | 178.3 | 175.3 | 0 | 113.1 | Q308 K313 Q314 V315 | Q308-K311 PolarHBondContact O-N 3.32Å; K311-K313 VanDerWaalsContact C-N 3.29Å; K311-K313 PolarHBondContact O-N 3.08Å; K311-Q314 PolarHBondContact O-N 3.15Å; K311-V315 WeakPolarHBondContact O-CG2 3.3Å; K311-V315 PolarHBondContact O-N 3.28Å |
| 312 | L | 34.1 | Very low | 37.4 | Very low | 71 Ų | 71 | 106.1 Ų | 106.1 | 37% | 0.372 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74.9 | -14 | -179.8 | -82.9 | 159.7 | 0 | 0 | 0 | 114.8 | Q308 | Q308-L312 WeakPolarHBondContact O-CD1 3.5Å; Q308-L312 PolarHBondContact O-N 3.35Å |
| 313 | K | 34.2 | Very low | 36.2 | Very low | 125 Ų | 125 | 108.9 Ų | 108.9 | 54% | 0.543 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -84.2 | -30.8 | 172.1 | -125.4 | -176.7 | 177.6 | -169.9 | 0 | 112.4 | K311 | K311-K313 VanDerWaalsContact C-N 3.29Å; K311-K313 PolarHBondContact O-N 3.08Å |
| 314 | Q | 35.2 | Very low | 35.5 | Very low | 126 Ų | 126 | 105.8 Ų | 105.8 | 59% | 0.589 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.8 | -37.1 | 174.9 | -77.9 | 177 | -23.1 | 0 | 0 | 112.2 | K311 K316 E317 E318 | K311-Q314 PolarHBondContact O-N 3.15Å; Q314-K316 VanDerWaalsContact C-N 3.28Å; Q314-K316 PolarHBondContact O-N 3.45Å; Q314-E317 PolarHBondContact O-N 3.28Å; Q314-E318 WeakPolarHBondContact O-CG 3.38Å; Q314-E318 PolarHBondContact O-N 3.1Å |
| 315 | V | 34.9 | Very low | 34.7 | Very low | 89 Ų | 89 | 112.1 Ų | 112.1 | 54% | 0.539 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.2 | -12.3 | -179 | 179.5 | 0 | 0 | 0 | 0 | 114 | K311 | K311-V315 WeakPolarHBondContact O-CG2 3.3Å; K311-V315 PolarHBondContact O-N 3.28Å |
| 316 | K | 34 | Very low | 34.3 | Very low | 156 Ų | 156 | 118 Ų | 118 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -8 | 175.7 | -105.7 | -177.1 | 178.6 | -178.6 | 0 | 114.3 | Q314 | Q314-K316 VanDerWaalsContact C-N 3.28Å; Q314-K316 PolarHBondContact O-N 3.45Å |
| 317 | E | 35.1 | Very low | 34.4 | Very low | 147 Ų | 147 | 128 Ų | 128 | 69% | 0.687 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -15.8 | 172.2 | -75.5 | -178.1 | 168.8 | 0 | 0 | 112.1 | Q314 | Q314-E317 PolarHBondContact O-N 3.28Š|
| 318 | E | 33.5 | Very low | 34 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 65% | 0.654 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -84.9 | -16 | 174.6 | -71.9 | 173.8 | 168.8 | 0 | 0 | 114.2 | Q314 | Q314-E318 WeakPolarHBondContact O-CG 3.38Å; Q314-E318 PolarHBondContact O-N 3.1Å |
| 319 | D | 34 | Very low | 33.5 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -93 | 14.2 | 179.6 | -96.1 | -10.1 | 0 | 0 | 0 | 114.4 | ||
| 320 | K | 34 | Very low | 33.2 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -122.5 | 13.9 | -179.7 | -80.4 | -171 | 176.5 | -177.3 | 0 | 115.2 | ||
| 321 | T | 32 | Very low | 33 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -133.8 | 57.3 | 175.1 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 322 | D | 28.7 | Very low | 32.7 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 81% | 0.807 | 73% | 0.726 | S | S | * | * | trans | -148.2 | 57.2 | 168.5 | -142.1 | 8.8 | 0 | 0 | 0 | 110.1 | ||||
| 323 | D | 31 | Very low | 32.4 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -161.1 | 79.3 | 163.9 | -129.5 | -4.3 | 0 | 0 | 0 | 110.9 | ||
| 324 | S | 34.2 | Very low | 32.1 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | 166.9 | 75.8 | 142.1 | 64.3 | 0 | 0 | 0 | 0 | 111 | D326 | S324-D326 PolarHBondContact O-N 2.72Š| ||
| 325 | L | 29.3 | Very low | 31.7 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | trans | -70.3 | 108.4 | 153 | -74.3 | 163.7 | 0 | 0 | 0 | 108.3 | ||||
| 326 | D | 31.2 | Very low | 31.3 | Very low | 137 Ų | 137 | 156.5 Ų | 156.5 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | 174.4 | 106.7 | 131.6 | -113.1 | -26.7 | 0 | 0 | 0 | 111.2 | S324 | S324-D326 PolarHBondContact O-N 2.72Š| ||
| 327 | R | 34 | Very low | 31 | Very low | 225 Ų | 225 | 155.2 Ų | 155.2 | 85% | 0.849 | 78% | 0.781 | S | S | * | * | 172.9 | 105.3 | 120.4 | -91.9 | 164.9 | -173.4 | -168.2 | 3.4 | 110.1 | |||||
| 328 | R | 32.3 | Very low | 30.7 | Very low | 196 Ų | 196 | 153.3 Ų | 153.3 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | 41.4 | 131 | 119.7 | -60.6 | -179.4 | -171 | -165 | 2.4 | 115.5 | |||||
| 329 | R | 30.4 | Very low | 30.4 | Very low | 226 Ų | 226 | 155.6 Ų | 155.6 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | cis | 174.1 | 146 | 18.3 | -112.1 | 174.8 | -176.3 | -163.5 | -0.1 | 103 | ||||
| 330 | G | 30.7 | Very low | 30.1 | Very low | 69 Ų | 69 | 154.2 Ų | 154.2 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 136.8 | 93.5 | 140.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 331 | K | 34.7 | Very low | 30 | Very low | 203 Ų | 203 | 152 Ų | 152 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | 86.4 | 98 | 141.9 | -60.9 | 177.2 | 176.5 | -179.9 | 0 | 115.9 | ||||
| 332 | S | 29.6 | Very low | 29.9 | Very low | 107 Ų | 107 | 153.4 Ų | 153.4 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | 73.1 | 113.9 | 59.8 | -79.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 333 | V | 27.9 | Very low | 29.9 | Very low | 120 Ų | 120 | 155.2 Ų | 155.2 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | 66.6 | 131.9 | 128.8 | -155.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 334 | V | 28.2 | Very low | 29.7 | Very low | 109 Ų | 109 | 150.8 Ų | 150.8 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | -178.1 | 129.7 | 69.3 | 172.3 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 335 | R | 25.8 | Very low | 29.4 | Very low | 214 Ų | 214 | 152.5 Ų | 152.5 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | trans | 36.5 | 144.4 | 136.3 | -53.7 | 171.2 | 173.1 | 158.4 | -5.5 | 121.9 | V337 | R335-V337 PolarHBondContact O-N 3.06Š| ||
| 336 | E | 27.1 | Very low | 29.3 | Very low | 192 Ų | 192 | 150 Ų | 150 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | trans | -13.3 | 124.7 | 133.5 | -64.9 | 172.6 | 154.9 | 0 | 0 | 113.9 | ||||
| 337 | V | 28.2 | Very low | 29.3 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -131.8 | 141.3 | 161.4 | 173.3 | 0 | 0 | 0 | 0 | 106.1 | R335 | R335-V337 PolarHBondContact O-N 3.06Š| ||
| 338 | P | 28.8 | Very low | 29 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | -81.8 | 177.4 | -158.3 | 35.7 | -32.8 | 0 | 0 | 0 | 112.3 | ||||
| 339 | E | 26.1 | Very low | 28.9 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | trans | 8 | 113.1 | 160.1 | -66.3 | 179.6 | 157.4 | 0 | 0 | 116.5 | ||||
| 340 | S | 28.9 | Very low | 28.7 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | 177.2 | 116 | 136.1 | 34.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 341 | D | 30.1 | Very low | 29 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | 19.1 | 129.6 | 129.6 | -86.1 | -40.9 | 0 | 0 | 0 | 122.1 | |||||
| 342 | Q | 30.9 | Very low | 28.7 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | trans | 89.1 | 115.5 | 131 | -70.7 | 175.6 | 38.8 | 0 | 0 | 121 | ||||
| 343 | K | 28.5 | Very low | 28.8 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | 62.2 | 119.2 | 129.6 | -67.7 | 177.1 | 175.4 | 174.1 | 0 | 116.8 | |||||
| 344 | G | 27.6 | Very low | 28.8 | Very low | 72 Ų | 72 | 147.9 Ų | 147.9 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | 85.7 | 137.1 | 96.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 345 | D | 27.5 | Very low | 29.1 | Very low | 153 Ų | 153 | 150.8 Ų | 150.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | cis | -176.7 | 152.8 | 22.2 | -114 | -28.5 | 0 | 0 | 0 | 104.5 | ||||
| 346 | V | 27.8 | Very low | 29.2 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | trans | 67.9 | 109.2 | 133.8 | -179.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 347 | V | 29.5 | Very low | 29.6 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | 47.6 | 123.5 | 119 | -175.9 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 348 | D | 29.3 | Very low | 29.7 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | 165 | 119.8 | 109.7 | -117.7 | -5.2 | 0 | 0 | 0 | 110.4 | |||||
| 349 | K | 28.8 | Very low | 30.4 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 59% | 0.587 | 76% | 0.763 | S | S | * | * | 75.2 | 126.5 | 102.4 | -89 | -176.3 | -156.2 | 112.3 | 0 | 117.3 | |||||
| 350 | R | 26.2 | Very low | 31 | Very low | 203 Ų | 203 | 145.3 Ų | 145.3 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | 72 | 123.7 | 142 | -64.2 | 169.4 | -176.8 | 175.6 | 5.2 | 114.9 | ||||
| 351 | H | 37.2 | Very low | 31.2 | Very low | 195 Ų | 195 | 147.5 Ų | 147.5 | 90% | 0.903 | 76% | 0.756 | S | S | * | * | -154.7 | 116.5 | 117.8 | -96.4 | 79.1 | 0 | 0 | 0 | 109.6 | |||||
| 352 | S | 28 | Very low | 31.4 | Very low | 95 Ų | 95 | 149.3 Ų | 149.3 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | trans | -66.1 | 152.2 | 172.6 | 47.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 353 | K | 33.5 | Very low | 31.4 | Very low | 198 Ų | 198 | 150 Ų | 150 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | 175.7 | 138.7 | 108.5 | -99.1 | 174.9 | 178.2 | 177.9 | 0 | 113.8 | |||||
| 354 | Q | 27.7 | Very low | 31.6 | Very low | 183 Ų | 183 | 152.5 Ų | 152.5 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -56.3 | 142.5 | 168 | -62 | 158.1 | -49.3 | 0 | 0 | 112.6 | ||||
| 355 | I | 34.4 | Very low | 31.8 | Very low | 170 Ų | 170 | 152.6 Ų | 152.6 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | -146.3 | 128.1 | 142.6 | -63.2 | -171.3 | 0 | 0 | 0 | 108.5 | ||||
| 356 | S | 27.5 | Very low | 31.8 | Very low | 90 Ų | 90 | 153.5 Ų | 153.5 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | trans | -73.4 | 157.2 | 172.1 | 56.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 357 | D | 34.4 | Very low | 31.8 | Very low | 159 Ų | 159 | 151.2 Ų | 151.2 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | -178.4 | 145.3 | 121.3 | -85.3 | -12.2 | 0 | 0 | 0 | 112.2 | |||||
| 358 | R | 30.5 | Very low | 31.8 | Very low | 242 Ų | 242 | 153 Ų | 153 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | trans | -107.8 | -175.8 | -167.5 | -132.7 | -166.2 | -167.9 | -165 | 4.6 | 109.8 | ||||
| 359 | P | 43.2 | Very low | 31.6 | Very low | 95 Ų | 95 | 155.8 Ų | 155.8 | 62% | 0.617 | 78% | 0.784 | S | S | * | * | trans | -106.2 | -157.1 | -130.9 | 41.7 | -23.3 | 0 | 0 | 0 | 113.5 | ||||
| 360 | P | 40.3 | Very low | 31.5 | Very low | 129 Ų | 129 | 154.9 Ų | 154.9 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -132.4 | 147.5 | 141.4 | 33.3 | -18 | 0 | 0 | 0 | 116 | ||||
| 361 | F | 32.3 | Very low | 31.5 | Very low | 161 Ų | 161 | 154.5 Ų | 154.5 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -74.5 | 160.8 | 176.3 | -92.4 | -100.6 | 0 | 0 | 0 | 114 | K363 | F361-K363 HydrophobicContact CD1-CG 3.9Å; F361-K363 HydrophobicContact CE1-CG 4.29Å | ||
| 362 | L | 35 | Very low | 31.2 | Very low | 177 Ų | 177 | 153.8 Ų | 153.8 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | trans | -139.7 | 121.5 | 133.3 | -111.2 | 142.2 | 0 | 0 | 0 | 109.9 | ||||
| 363 | K | 29.4 | Very low | 31.2 | Very low | 162 Ų | 162 | 155 Ų | 155 | 70% | 0.704 | 79% | 0.794 | S | S | * | * | trans | -89.1 | 156.2 | 175.5 | -75.3 | 177.4 | 170.6 | 179.1 | 0 | 110 | F361 | F361-K363 HydrophobicContact CD1-CG 3.9Å; F361-K363 HydrophobicContact CE1-CG 4.29Å | ||
| 364 | Y | 33.7 | Very low | 30.8 | Very low | 241 Ų | 241 | 154.9 Ų | 154.9 | 95% | 0.945 | 79% | 0.787 | S | S | * | * | -175.8 | 139.3 | 121 | -106.5 | -75.3 | 0 | 0 | 0 | 111.2 | |||||
| 365 | G | 32.1 | Very low | 30.7 | Very low | 73 Ų | 73 | 152 Ų | 152 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 124 | 98.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 366 | D | 27.9 | Very low | 30.3 | Very low | 172 Ų | 172 | 152 Ų | 152 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | trans | -60.1 | 164 | 177.5 | -68.2 | -61.7 | 0 | 0 | 0 | 116.8 | ||||
| 367 | G | 27.9 | Very low | 30.2 | Very low | 67 Ų | 67 | 153.6 Ų | 153.6 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 126.4 | 105.2 | 130.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 368 | E | 27.5 | Very low | 29.8 | Very low | 156 Ų | 156 | 155.4 Ų | 155.4 | 73% | 0.729 | 79% | 0.785 | S | S | * | * | trans | 82 | 109.9 | 141.7 | -59.5 | -153.2 | 119.1 | 0 | 0 | 122 | ||||
| 369 | K | 25.6 | Very low | 29.6 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | 51.4 | 130.5 | 122.3 | -59.2 | 170.8 | -177.6 | 151.7 | 0 | 118.8 | |||||
| 370 | V | 26.6 | Very low | 28.9 | Very low | 117 Ų | 117 | 151.6 Ų | 151.6 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | 143 | 104.5 | 123.2 | 174.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 371 | K | 26 | Very low | 28.2 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | 63.8 | 136 | 134.8 | -60.6 | 176.9 | -172.5 | 173.5 | 0 | 122.9 | ||||
| 372 | K | 30.8 | Very low | 27.9 | Very low | 180 Ų | 180 | 154 Ų | 154 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -39.8 | 164.6 | 157.4 | -62.1 | 176.2 | 172.2 | 178.2 | 0 | 113.8 | ||||
| 373 | P | 28.9 | Very low | 27.6 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | -141 | 137.5 | 97.5 | 31.4 | -14.1 | 0 | 0 | 0 | 112.6 | |||||
| 374 | R | 24.4 | Very low | 27.4 | Very low | 194 Ų | 194 | 154 Ų | 154 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | 58 | 108.4 | 74.2 | -88 | -173.1 | 173.9 | 168 | -1.7 | 114.1 | |||||
| 375 | T | 25.3 | Very low | 27 | Very low | 122 Ų | 122 | 150 Ų | 150 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -13.1 | 124.5 | 134.7 | 48.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 376 | H | 27.7 | Very low | 26.7 | Very low | 170 Ų | 170 | 153.1 Ų | 153.1 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | trans | -148.4 | 100.8 | 153.5 | -94.8 | -71.2 | 0 | 0 | 0 | 111.7 | ||||
| 377 | T | 25.5 | Very low | 26.6 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | trans | -57.3 | 150 | 144.8 | -18.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 378 | K | 25.5 | Very low | 26.5 | Very low | 197 Ų | 197 | 155.8 Ų | 155.8 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | 111.6 | 114.3 | 154.5 | -69.8 | -172.2 | 172.5 | -173.9 | 0 | 118.2 | ||||
| 379 | A | 25.5 | Very low | 26.4 | Very low | 84 Ų | 84 | 159.5 Ų | 159.5 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | 68.4 | 120 | 125.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 380 | I | 29.4 | Very low | 26.8 | Very low | 173 Ų | 173 | 156.1 Ų | 156.1 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | -153.5 | 120.1 | 120.2 | -91 | 151 | 0 | 0 | 0 | 106.7 | |||||
| 381 | E | 25.6 | Very low | 26.7 | Very low | 166 Ų | 166 | 157.6 Ų | 157.6 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -68.8 | -179.6 | 161.6 | -70.3 | 160 | 135.3 | 0 | 0 | 110.2 | ||||
| 382 | E | 26.4 | Very low | 26.7 | Very low | 173 Ų | 173 | 153.1 Ų | 153.1 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | 84.6 | 122.9 | 169 | -55.7 | 179.3 | 173.2 | 0 | 0 | 114.2 | ||||
| 383 | Q | 28.4 | Very low | 26.5 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | cis | -160.1 | 125.3 | 17.3 | -97.7 | 158.7 | -0.7 | 0 | 0 | 105.5 | ||||
| 384 | E | 25.5 | Very low | 26.5 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | 39.7 | 123.5 | 84.4 | -97.8 | 179.8 | -177.9 | 0 | 0 | 116.9 | |||||
| 385 | E | 25.1 | Very low | 26.6 | Very low | 158 Ų | 158 | 145.2 Ų | 145.2 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | 71.9 | 126.1 | 141.9 | -95.4 | -172 | -179.5 | 0 | 0 | 118.1 | ||||
| 386 | L | 25.1 | Very low | 26.7 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | 175.9 | 147.8 | 61.4 | -96.6 | 136 | 0 | 0 | 0 | 111 | |||||
| 387 | V | 26.4 | Very low | 26.8 | Very low | 112 Ų | 112 | 146 Ų | 146 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | trans | 76.1 | 103.4 | 135 | 175.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 388 | K | 24.9 | Very low | 26.8 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | 60.3 | 108.4 | 86.5 | -74.3 | -180 | 178.8 | 173.2 | 0 | 115.7 | |||||
| 389 | R | 26.8 | Very low | 27 | Very low | 234 Ų | 234 | 137.5 Ų | 137.5 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | 66.4 | 167.7 | 137.4 | -81.1 | -173.9 | -177.9 | -174.4 | 0.6 | 118.2 | ||||
| 390 | P | 32.2 | Very low | 27 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | cis | -135.3 | -174.9 | -21.2 | 30.8 | -8.3 | 0 | 0 | 0 | 113.2 | ||||
| 391 | N | 25.8 | Very low | 27 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | 34.9 | 134.3 | 136.5 | -63.6 | -4 | 0 | 0 | 0 | 118.1 | ||||
| 392 | S | 25.6 | Very low | 27.1 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | cis | 158.6 | 159.9 | 36.3 | 36.1 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 393 | A | 27.1 | Very low | 27.2 | Very low | 80 Ų | 80 | 134.8 Ų | 134.8 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | trans | 65.9 | 145.9 | 147.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 394 | D | 27.5 | Very low | 27.1 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | cis | -162.1 | 153.3 | -6 | -86.1 | -37.4 | 0 | 0 | 0 | 100 | ||||
| 395 | T | 27.9 | Very low | 27.4 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | 167 | 128.7 | 84.6 | 28.6 | 0 | 0 | 0 | 0 | 107 | |||||
| 396 | N | 27.8 | Very low | 27.4 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | 45 | 123.5 | 119.5 | -46.5 | -30.7 | 0 | 0 | 0 | 116.5 | |||||
| 397 | L | 28.1 | Very low | 27.8 | Very low | 176 Ų | 176 | 128.9 Ų | 128.9 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | 169.7 | 138.8 | 84.5 | -80.1 | 147.3 | 0 | 0 | 0 | 103 | |||||
| 398 | G | 27 | Very low | 27.9 | Very low | 78 Ų | 78 | 129 Ų | 129 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | cis | 156.6 | 156.8 | 17.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 399 | G | 28.5 | Very low | 28 | Very low | 66 Ų | 66 | 125.8 Ų | 125.8 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | trans | 111.5 | 100.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 400 | N | 26.3 | Very low | 28 | Very low | 147 Ų | 147 | 126.5 Ų | 126.5 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | 60.3 | 112.6 | 81.3 | -76.2 | -1.4 | 0 | 0 | 0 | 109.8 | |||||
| 401 | E | 29.5 | Very low | 28 | Very low | 165 Ų | 165 | 133 Ų | 133 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | -167 | 136.1 | 60.3 | -99.4 | 153.8 | -163 | 0 | 0 | 107.8 | |||||
| 402 | L | 27.6 | Very low | 28.4 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | 50.4 | 117.8 | 84.9 | -73.8 | 149 | 0 | 0 | 0 | 110.3 | |||||
| 403 | S | 27.6 | Very low | 28.4 | Very low | 82 Ų | 82 | 134 Ų | 134 | 57% | 0.573 | 75% | 0.749 | S | S | * | * | cis | 155.4 | 163.9 | 47.4 | 48.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 404 | N | 27.9 | Very low | 28.3 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | 73.9 | 128.5 | 149.2 | -61.4 | -19.8 | 0 | 0 | 0 | 116.3 | ||||
| 405 | Q | 30.1 | Very low | 28.2 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | cis | -160.2 | 119.1 | 23.5 | -99 | 145.6 | 8.8 | 0 | 0 | 106 | ||||
| 406 | S | 25.1 | Very low | 28.1 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | 45.7 | 104.6 | 94.6 | 68.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 407 | C | 33.3 | Very low | 27.9 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | 0 | 149.9 | 126.3 | -99.5 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 408 | P | 29.6 | Very low | 27.8 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | -143.5 | 128.1 | 96.9 | 30 | -11.2 | 0 | 0 | 0 | 113.4 | |||||
| 409 | T | 27.2 | Very low | 27.8 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | 35.4 | 115.1 | 98.6 | 35.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 410 | R | 26.4 | Very low | 27.6 | Very low | 249 Ų | 249 | 132.2 Ų | 132.2 | 94% | 0.94 | 74% | 0.737 | S | S | * | * | -175.1 | 108.3 | 123.7 | -102.4 | 166.6 | -174.4 | -166.6 | 1.9 | 111.6 | |||||
| 411 | R | 32.9 | Very low | 27.6 | Very low | 232 Ų | 232 | 133.1 Ų | 133.1 | 88% | 0.875 | 73% | 0.733 | S | S | * | * | trans | -39.2 | 161.9 | 132.1 | -80.4 | -175.3 | -177.3 | 179.3 | 1 | 110.1 | ||||
| 412 | P | 32.7 | Very low | 27.4 | Very low | 93 Ų | 93 | 133 Ų | 133 | 60% | 0.604 | 73% | 0.73 | S | S | * | * | cis | -156.1 | -176.9 | 40.6 | 40.4 | -17.9 | 0 | 0 | 0 | 116.7 | ||||
| 413 | Q | 27.4 | Very low | 27.4 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | 67.5 | 141.6 | 143.5 | -78.5 | 156.9 | 5.4 | 0 | 0 | 116.3 | ||||
| 414 | S | 24.4 | Very low | 27.4 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | cis | 170.5 | 170.9 | 10.1 | 47.5 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 415 | C | 24.5 | Very low | 27.4 | Very low | 95 Ų | 95 | 133.6 Ų | 133.6 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | trans | 75.9 | 110.3 | 153.9 | -58.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 416 | D | 25.5 | Very low | 27.5 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | 103.1 | 108.4 | 93.3 | -78 | -16.9 | 0 | 0 | 0 | 107 | |||||
| 417 | A | 25 | Very low | 27.7 | Very low | 74 Ų | 74 | 138 Ų | 138 | 61% | 0.612 | 73% | 0.732 | S | S | * | * | 93.6 | 141.6 | 94.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 418 | L | 25.5 | Very low | 27.4 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 93% | 0.927 | 72% | 0.723 | S | S | * | * | trans | 66 | 109.8 | 162.5 | -57.1 | 132.4 | 0 | 0 | 0 | 113.6 | ||||
| 419 | G | 26.4 | Very low | 27.5 | Very low | 60 Ų | 60 | 139.3 Ų | 139.3 | 62% | 0.619 | 73% | 0.726 | S | S | * | * | cis | 140.4 | 152.1 | 33.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 420 | S | 24.7 | Very low | 27.7 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | 53.4 | 125.9 | 138.7 | 83.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 421 | K | 25.9 | Very low | 28 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | 161.4 | 154.8 | 52 | -123.6 | 159.9 | -172.9 | 170.4 | 0 | 106.2 | |||||
| 422 | K | 26.5 | Very low | 27.8 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 71% | 0.709 | 73% | 0.725 | S | S | * | * | trans | 77.4 | 134.7 | 145.4 | -73 | 168.3 | 179.8 | -177.9 | 0 | 114.9 | ||||
| 423 | K | 27.7 | Very low | 27.7 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | cis | -171.8 | 127.9 | 32.9 | -128.6 | 163.5 | 176.9 | -164.7 | 0 | 107.3 | ||||
| 424 | T | 27 | Very low | 27.7 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | 74.7 | 131.7 | 111.7 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 425 | S | 28.5 | Very low | 27.9 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | cis | 171.9 | 159.7 | 22.9 | 42.2 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 426 | E | 30.7 | Very low | 28.1 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | cis | 169.7 | 148.2 | 49 | -140.6 | 172.4 | -143.7 | 0 | 0 | 109.2 | ||||
| 427 | W | 31 | Very low | 28.3 | Very low | 209 Ų | 209 | 140.1 Ų | 140.1 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | trans | 72.6 | 103.2 | 165 | -46.2 | 90.8 | 0 | 0 | 0 | 120.1 | ||||
| 428 | S | 26.9 | Very low | 28.7 | Very low | 80 Ų | 80 | 141.8 Ų | 141.8 | 56% | 0.559 | 76% | 0.755 | S | S | * | * | 69 | 129.2 | 58.9 | 81.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 429 | Q | 30.2 | Very low | 28.9 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | cis | -159.3 | 152.5 | 19.8 | -88 | 141.5 | -5.1 | 0 | 0 | 105.5 | ||||
| 430 | I | 32.2 | Very low | 29.3 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | -175.5 | 116.9 | 95.2 | -81.9 | 157.3 | 0 | 0 | 0 | 108.3 | |||||
| 431 | E | 33 | Very low | 29.8 | Very low | 186 Ų | 186 | 144 Ų | 144 | 87% | 0.869 | 74% | 0.738 | S | S | * | * | trans | 48 | 105.4 | 142.8 | -62 | -178.4 | 166.3 | 0 | 0 | 123.4 | ||||
| 432 | D | 29 | Very low | 30.4 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | trans | -21.7 | 124.3 | 152.2 | -67.1 | -47.6 | 0 | 0 | 0 | 120.1 | ||||
| 433 | I | 29.9 | Very low | 30.9 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | trans | -126.4 | 120.9 | 133.5 | -64.2 | 178.2 | 0 | 0 | 0 | 107 | V435 | I433-V435 PolarHBondContact O-N 3.14Š| ||
| 434 | T | 26.3 | Very low | 31.5 | Very low | 134 Ų | 134 | 139 Ų | 139 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | trans | -55.6 | 118.6 | -178.7 | 44.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 435 | V | 29.3 | Very low | 32 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | trans | -109.9 | 119 | 165.8 | 179.2 | 0 | 0 | 0 | 0 | 107.5 | I433 | I433-V435 PolarHBondContact O-N 3.14Š| ||
| 436 | E | 28.5 | Very low | 32.5 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -53 | 146.3 | 175.8 | -76.5 | -179 | 149.6 | 0 | 0 | 111.9 | ||
| 437 | P | 30.2 | Very low | 33.1 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 141.6 | 176.2 | 26.8 | -32.2 | 0 | 0 | 0 | 109.8 | T439 | P437-T439 PolarHBondContact O-N 3.18Å; P437-T439 VanDerWaalsContact O-N 3.15Å |
| 438 | P | 34 | Very low | 34 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 124.1 | 178.5 | -13.1 | 24.8 | 0 | 0 | 0 | 109.3 | ||
| 439 | T | 29.9 | Very low | 35 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 52% | 0.515 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -47.2 | 141.8 | 171.7 | 44.3 | 0 | 0 | 0 | 0 | 111.5 | P437 | P437-T439 PolarHBondContact O-N 3.18Å; P437-T439 VanDerWaalsContact O-N 3.15Å |
| 440 | P | 33.8 | Very low | 35.9 | Very low | 89 Ų | 89 | 123.1 Ų | 123.1 | 58% | 0.578 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 142.6 | 179.8 | -26.7 | 32.5 | 0 | 0 | 0 | 112.9 | E442 N443 | P440-E442 PolarHBondContact O-N 2.93Å; P440-N443 PolarHBondContact O-N 3.15Å |
| 441 | R | 35.4 | Very low | 36.8 | Very low | 213 Ų | 213 | 121.6 Ų | 121.6 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -47.5 | -25.5 | -176.9 | -127.5 | 174.5 | -179.6 | 171 | -0.2 | 114.1 | ||
| 442 | E | 37.9 | Very low | 37.8 | Very low | 155 Ų | 155 | 114.5 Ų | 114.5 | 72% | 0.724 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -74.4 | -24.7 | 179.9 | -64.9 | 176.2 | 162.9 | 0 | 0 | 113.9 | P440 | P440-E442 PolarHBondContact O-N 2.93Å |
| 443 | N | 36.7 | Very low | 38.9 | Very low | 100 Ų | 100 | 109.3 Ų | 109.3 | 54% | 0.535 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -82.5 | -17.9 | 178.5 | -80.7 | -9.6 | 0 | 0 | 0 | 113.9 | P440 A447 | P440-N443 PolarHBondContact O-N 3.15Å; N443-A447 PolarHBondContact O-N 3.25Å |
| 444 | R | 41.8 | Very low | 40 | Very low | 133 Ų | 133 | 104.4 Ų | 104.4 | 50% | 0.502 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -74.2 | -33.4 | 178 | -76.6 | -174.1 | 176.4 | 178.6 | -0.9 | 112.9 | S446 A447 D448 | R444-S446 VanDerWaalsContact C-N 3.33Å; R444-S446 PolarHBondContact O-N 2.81Å; R444-A447 PolarHBondContact O-N 3Å; R444-D448 PolarHBondContact O-N 3.28Å |
| 445 | I | 37.2 | Very low | 41.2 | Very low | 124 Ų | 124 | 101.1 Ų | 101.1 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.6 | -36.9 | 178.3 | -60.5 | 173.8 | 0 | 0 | 0 | 110.8 | Y449 | I445-Y449 WeakPolarHBondContact O-CB 3.34Å; I445-Y449 PolarHBondContact O-N 2.93Å |
| 446 | S | 38.9 | Very low | 42.2 | Very low | 67 Ų | 67 | 96.5 Ų | 96.5 | 47% | 0.469 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 172.7 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | R444 D448 Y449 D450 | R444-S446 VanDerWaalsContact C-N 3.33Å; R444-S446 PolarHBondContact O-N 2.81Å; S446-D448 VanDerWaalsContact C-N 3.32Å; S446-D448 PolarHBondContact O-N 3.23Å; S446-Y449 WeakPolarHBondContact O-CB 3.07Å; S446-Y449 PolarHBondContact O-N 2.83Å; S446-D450 VanDerWaalsContact O-CG 3.28Å; S446-D450 PolarHBondContact O-N 2.84Å |
| 447 | A | 43.8 | Very low | 43.4 | Very low | 38 Ų | 38 | 94.4 Ų | 94.4 | 31% | 0.314 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.5 | -28.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | N443 R444 R451 | N443-A447 PolarHBondContact O-N 3.25Å; R444-A447 PolarHBondContact O-N 3Å; A447-R451 PolarHBondContact O-N 3.32Å; A447-R451 PolarHBondContact O-NE 3.07Å |
| 448 | D | 49.7 | Very low | 44.4 | Very low | 60 Ų | 60 | 96.1 Ų | 96.1 | 32% | 0.321 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -74.4 | -37.9 | 170.7 | -73.8 | -16.6 | 0 | 0 | 0 | 111 | R444 S446 R451 E452 | R444-D448 PolarHBondContact O-N 3.28Å; S446-D448 VanDerWaalsContact C-N 3.32Å; S446-D448 PolarHBondContact O-N 3.23Å; D448-R451 PolarHBondContact O-N 3.03Å; D448-E452 WeakPolarHBondContact O-CB 3.37Å; D448-E452 WeakPolarHBondContact O-CG 3.3Å; D448-E452 PolarHBondContact O-N 3.16Å |
| 449 | Y | 47.4 | Very low | 45.1 | Very low | 103 Ų | 103 | 94.3 Ų | 94.3 | 40% | 0.404 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 174.2 | -166.9 | -100.6 | 0 | 0 | 0 | 112.2 | I445 S446 R451 N453 | I445-Y449 WeakPolarHBondContact O-CB 3.34Å; I445-Y449 PolarHBondContact O-N 2.93Å; S446-Y449 WeakPolarHBondContact O-CB 3.07Å; S446-Y449 PolarHBondContact O-N 2.83Å; Y449-R451 VanDerWaalsContact C-N 3.34Å; Y449-R451 PolarHBondContact O-N 3.27Å; Y449-N453 WeakPolarHBondContact CD1-ND2 2.83Å; Y449-N453 WeakPolarHBondContact CE1-ND2 3.09Å; Y449-N453 VanDerWaalsContact O-CB 3.3Å; Y449-N453 WeakPolarHBondContact O-CB 2.83Å; Y449-N453 PolarHBondContact O-N 3.39Å |
| 450 | D | 50.2 | Low | 46.1 | Very low | 96 Ų | 96 | 95.3 Ų | 95.3 | 51% | 0.513 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 176.4 | -66.1 | -28.6 | 0 | 0 | 0 | 111.7 | S446 A454 | S446-D450 VanDerWaalsContact O-CG 3.28Å; S446-D450 PolarHBondContact O-N 2.84Å; D450-A454 PolarHBondContact O-N 3.17Å |
| 451 | R | 51 | Low | 46.9 | Very low | 126 Ų | 126 | 96.4 Ų | 96.4 | 48% | 0.475 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -73.3 | -42 | 176.2 | -86.7 | -176.5 | -90.3 | -174.2 | -7 | 113.4 | A447 D448 Y449 N453 A454 V455 | A447-R451 PolarHBondContact O-N 3.32Å; A447-R451 PolarHBondContact O-NE 3.07Å; D448-R451 PolarHBondContact O-N 3.03Å; Y449-R451 VanDerWaalsContact C-N 3.34Å; Y449-R451 PolarHBondContact O-N 3.27Å; R451-N453 VanDerWaalsContact C-N 3.29Å; R451-N453 PolarHBondContact O-N 3.41Å; R451-A454 WeakPolarHBondContact O-CB 2.93Å; R451-A454 PolarHBondContact O-N 3.26Å; R451-V455 PolarHBondContact O-N 2.95Å; R451-V455 VanDerWaalsContact O-N 3.08Å |
| 452 | E | 53.3 | Low | 47.4 | Very low | 37 Ų | 37 | 88 Ų | 88 | 17% | 0.173 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 171.7 | -76.4 | -179 | 173.2 | 0 | 0 | 110.8 | D448 V455 R456 R585 | D448-E452 WeakPolarHBondContact O-CB 3.37Å; D448-E452 WeakPolarHBondContact O-CG 3.3Å; D448-E452 PolarHBondContact O-N 3.16Å; E452-V455 PolarHBondContact O-N 2.92Å; E452-R456 WeakPolarHBondContact O-CB 3.33Å; E452-R456 PolarHBondContact O-N 2.82Å; E452-R585 IonicContact OE1-CZ 2.82Å; E452-R585 IonicContact OE1-NH1 3.67Å; E452-R585 PolarHBondContact OE1-NH1 3.47Å; E452-R585 VanDerWaalsContact OE1-NH1 3.13Å; E452-R585 IonicContact OE2-CZ 3.22Å; E452-R585 IonicContact OE2-NE 2.85Å; E452-R585 PolarHBondContact OE2-NE 2.93Å; E452-R585 IonicContact OE2-NH1 2.9Å; E452-R585 PolarHBondContact OE2-NH1 3.38Å; E452-R585 IonicContact OE2-NH2 2.72Å |
| 453 | N | 52.6 | Low | 47.6 | Very low | 46 Ų | 46 | 86.9 Ų | 86.9 | 25% | 0.246 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.6 | -35.6 | 173.3 | -83.5 | -21.9 | 0 | 0 | 0 | 112.9 | Y449 R451 R456 E457 | Y449-N453 WeakPolarHBondContact CD1-ND2 2.83Å; Y449-N453 WeakPolarHBondContact CE1-ND2 3.09Å; Y449-N453 VanDerWaalsContact O-CB 3.3Å; Y449-N453 WeakPolarHBondContact O-CB 2.83Å; Y449-N453 PolarHBondContact O-N 3.39Å; R451-N453 VanDerWaalsContact C-N 3.29Å; R451-N453 PolarHBondContact O-N 3.41Å; N453-R456 PolarHBondContact O-N 3.23Å; N453-R456 PolarHBondContact OD1-NH1 3.19Å; N453-E457 WeakPolarHBondContact O-CB 3.42Å; N453-E457 PolarHBondContact O-N 3.36Å |
| 454 | A | 51.2 | Low | 47.8 | Very low | 55 Ų | 55 | 90.3 Ų | 90.3 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D450 R451 Y458 | D450-A454 PolarHBondContact O-N 3.17Å; R451-A454 WeakPolarHBondContact O-CB 2.93Å; R451-A454 PolarHBondContact O-N 3.26Å; A454-Y458 WeakPolarHBondContact O-CB 3.34Å; A454-Y458 PolarHBondContact O-N 3.41Å |
| 455 | V | 52.7 | Low | 47.7 | Very low | 66 Ų | 66 | 86.7 Ų | 86.7 | 40% | 0.4 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 173.2 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | R451 E452 Y458 L459 L588 | R451-V455 PolarHBondContact O-N 2.95Å; R451-V455 VanDerWaalsContact O-N 3.08Å; E452-V455 PolarHBondContact O-N 2.92Å; V455-Y458 PolarHBondContact O-N 2.91Å; V455-L459 HydrophobicContact CG1-CD1 3.95Å; V455-L459 HydrophobicContact CG1-CG 4.46Å; V455-L459 WeakPolarHBondContact O-CG 3.37Å; V455-L459 PolarHBondContact O-N 3.09Å; V455-L588 HydrophobicContact CG1-CD2 4.27Å |
| 456 | R | 49.8 | Very low | 48 | Very low | 39 Ų | 39 | 86.9 Ų | 86.9 | 15% | 0.147 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 177.5 | -170.5 | -173.4 | -87.9 | 123.5 | -7.7 | 111.7 | E452 N453 Y458 L459 Q460 | E452-R456 WeakPolarHBondContact O-CB 3.33Å; E452-R456 PolarHBondContact O-N 2.82Å; N453-R456 PolarHBondContact O-N 3.23Å; N453-R456 PolarHBondContact OD1-NH1 3.19Å; R456-Y458 VanDerWaalsContact C-N 3.34Å; R456-L459 PolarHBondContact O-N 3.05Å; R456-Q460 WeakPolarHBondContact O-CB 3.45Å; R456-Q460 VanDerWaalsContact O-CG 3.3Å; R456-Q460 WeakPolarHBondContact O-CG 3.35Å; R456-Q460 PolarHBondContact O-N 3.05Å |
| 457 | E | 53.6 | Low | 47.8 | Very low | 130 Ų | 130 | 87.7 Ų | 87.7 | 61% | 0.607 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.5 | -42.4 | 173.6 | -87.2 | -168.9 | 152.6 | 0 | 0 | 110.9 | N453 Q460 L461 | N453-E457 WeakPolarHBondContact O-CB 3.42Å; N453-E457 PolarHBondContact O-N 3.36Å; E457-Q460 PolarHBondContact O-N 2.85Å; E457-L461 VanDerWaalsContact O-CB 3.25Å; E457-L461 WeakPolarHBondContact O-CB 3.25Å; E457-L461 WeakPolarHBondContact O-CD1 3.28Å; E457-L461 WeakPolarHBondContact O-CG 3.48Å; E457-L461 PolarHBondContact O-N 3.35Å |
| 458 | Y | 50.8 | Low | 47.4 | Very low | 150 Ų | 150 | 91.5 Ų | 91.5 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.9 | -46.2 | 176.2 | -179.5 | -98.3 | 0 | 0 | 0 | 112.2 | A454 V455 R456 Q460 L461 S462 | A454-Y458 WeakPolarHBondContact O-CB 3.34Å; A454-Y458 PolarHBondContact O-N 3.41Å; V455-Y458 PolarHBondContact O-N 2.91Å; R456-Y458 VanDerWaalsContact C-N 3.34Å; Y458-Q460 VanDerWaalsContact C-N 3.32Å; Y458-Q460 PolarHBondContact O-N 3.48Å; Y458-L461 CarbonylContact O-C 3.58Å; Y458-L461 PolarHBondContact O-N 2.93Å; Y458-S462 WeakPolarHBondContact O-CB 3.4Å; Y458-S462 PolarHBondContact O-N 2.9Å; Y458-S462 PolarHBondContact O-OG 2.99Å |
| 459 | L | 48.8 | Very low | 46.7 | Very low | 69 Ų | 69 | 93.4 Ų | 93.4 | 36% | 0.361 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -34 | 177.4 | -72.9 | 168.6 | 0 | 0 | 0 | 112.4 | V455 R456 S462 H463 L588 | V455-L459 HydrophobicContact CG1-CD1 3.95Å; V455-L459 HydrophobicContact CG1-CG 4.46Å; V455-L459 WeakPolarHBondContact O-CG 3.37Å; V455-L459 PolarHBondContact O-N 3.09Å; R456-L459 PolarHBondContact O-N 3.05Å; L459-S462 WeakPolarHBondContact CA-OG 3.47Å; L459-S462 PolarHBondContact O-OG 3.12Å; L459-H463 WeakPolarHBondContact O-CB 3.33Å; L459-H463 PolarHBondContact O-N 3.21Å; L459-L588 HydrophobicContact CD1-CD2 3.08Å |
| 460 | Q | 51.3 | Low | 46 | Very low | 106 Ų | 106 | 95.1 Ų | 95.1 | 50% | 0.495 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.1 | -36.6 | 172.4 | -75.1 | -178.9 | -0 | 0 | 0 | 112.1 | R456 E457 Y458 R464 | R456-Q460 WeakPolarHBondContact O-CB 3.45Å; R456-Q460 VanDerWaalsContact O-CG 3.3Å; R456-Q460 WeakPolarHBondContact O-CG 3.35Å; R456-Q460 PolarHBondContact O-N 3.05Å; E457-Q460 PolarHBondContact O-N 2.85Å; Y458-Q460 VanDerWaalsContact C-N 3.32Å; Y458-Q460 PolarHBondContact O-N 3.48Å; Q460-R464 VanDerWaalsContact O-CB 3.27Å; Q460-R464 WeakPolarHBondContact O-CB 3.49Å; Q460-R464 WeakPolarHBondContact O-CG 3.39Å; Q460-R464 PolarHBondContact O-N 3.4Å |
| 461 | L | 50.5 | Low | 44.9 | Very low | 111 Ų | 111 | 97 Ų | 97 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -71.4 | -34.8 | 174.7 | -75.2 | 166.3 | 0 | 0 | 0 | 111.5 | E457 Y458 R464 A465 | E457-L461 VanDerWaalsContact O-CB 3.25Å; E457-L461 WeakPolarHBondContact O-CB 3.25Å; E457-L461 WeakPolarHBondContact O-CD1 3.28Å; E457-L461 WeakPolarHBondContact O-CG 3.48Å; E457-L461 PolarHBondContact O-N 3.35Å; Y458-L461 CarbonylContact O-C 3.58Å; Y458-L461 PolarHBondContact O-N 2.93Å; L461-R464 CarbonylContact O-C 3.53Å; L461-R464 PolarHBondContact O-N 3.4Å; L461-A465 WeakPolarHBondContact O-CB 3.41Å; L461-A465 PolarHBondContact O-N 3.46Å |
| 462 | S | 45.6 | Very low | 43.8 | Very low | 38 Ų | 38 | 100.4 Ų | 100.4 | 27% | 0.266 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.5 | -40.7 | 174.8 | 70.2 | 0 | 0 | 0 | 0 | 111.2 | Y458 L459 A465 H466 | Y458-S462 WeakPolarHBondContact O-CB 3.4Å; Y458-S462 PolarHBondContact O-N 2.9Å; Y458-S462 PolarHBondContact O-OG 2.99Å; L459-S462 WeakPolarHBondContact CA-OG 3.47Å; L459-S462 PolarHBondContact O-OG 3.12Å; S462-A465 PolarHBondContact O-N 3.16Å; S462-H466 WeakPolarHBondContact O-CB 3.35Å; S462-H466 PolarHBondContact O-N 3.39Å |
| 463 | H | 43.4 | Very low | 42.6 | Very low | 131 Ų | 131 | 107.2 Ų | 107.2 | 61% | 0.606 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.9 | -39.6 | 169.5 | -95.9 | -63.6 | 0 | 0 | 0 | 111.9 | L459 H466 C467 | L459-H463 WeakPolarHBondContact O-CB 3.33Å; L459-H463 PolarHBondContact O-N 3.21Å; H463-H466 PolarHBondContact O-N 3.25Å; H463-C467 WeakPolarHBondContact O-CB 3.1Å; H463-C467 PolarHBondContact O-N 2.97Å; H463-C467 PolarHBondContact O-SG 3.39Å |
| 464 | R | 41 | Very low | 41.6 | Very low | 172 Ų | 172 | 112.8 Ų | 112.8 | 65% | 0.649 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71.1 | -29.8 | 173.8 | -83 | -178.1 | 176.2 | 168.7 | 1.5 | 113 | Q460 L461 C467 N468 | Q460-R464 VanDerWaalsContact O-CB 3.27Å; Q460-R464 WeakPolarHBondContact O-CB 3.49Å; Q460-R464 WeakPolarHBondContact O-CG 3.39Å; Q460-R464 PolarHBondContact O-N 3.4Å; L461-R464 CarbonylContact O-C 3.53Å; L461-R464 PolarHBondContact O-N 3.4Å; R464-C467 PolarHBondContact O-N 2.86Å; R464-N468 WeakPolarHBondContact O-CB 3.43Å; R464-N468 PolarHBondContact O-N 3.04Å |
| 465 | A | 39.4 | Very low | 40.5 | Very low | 56 Ų | 56 | 115.3 Ų | 115.3 | 46% | 0.463 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.4 | -35.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L461 S462 T469 | L461-A465 WeakPolarHBondContact O-CB 3.41Å; L461-A465 PolarHBondContact O-N 3.46Å; S462-A465 PolarHBondContact O-N 3.16Å; A465-T469 WeakPolarHBondContact O-CG2 3.29Å; A465-T469 PolarHBondContact O-N 3.14Å; A465-T469 PolarHBondContact O-OG1 2.62Å |
| 466 | H | 42.1 | Very low | 39.4 | Very low | 128 Ų | 128 | 116 Ų | 116 | 59% | 0.593 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.3 | -27.5 | 170 | -98.1 | 69 | 0 | 0 | 0 | 113.2 | S462 H463 | S462-H466 WeakPolarHBondContact O-CB 3.35Å; S462-H466 PolarHBondContact O-N 3.39Å; H463-H466 PolarHBondContact O-N 3.25Å |
| 467 | C | 35.2 | Very low | 38.5 | Very low | 85 Ų | 85 | 122.3 Ų | 122.3 | 57% | 0.574 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -91.3 | -20.8 | 177.1 | -70.4 | 0 | 0 | 0 | 0 | 114.5 | H463 R464 | H463-C467 WeakPolarHBondContact O-CB 3.1Å; H463-C467 PolarHBondContact O-N 2.97Å; H463-C467 PolarHBondContact O-SG 3.39Å; R464-C467 PolarHBondContact O-N 2.86Å |
| 468 | N | 36.9 | Very low | 37.4 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 63% | 0.631 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -95.2 | 0.3 | 174.9 | -76.5 | -26.2 | 0 | 0 | 0 | 113.9 | R464 N470 | R464-N468 WeakPolarHBondContact O-CB 3.43Å; R464-N468 PolarHBondContact O-N 3.04Å; N468-N470 VanDerWaalsContact C-N 3.35Å |
| 469 | T | 34.4 | Very low | 36.5 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 61% | 0.607 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 48.9 | 165.8 | 47.3 | 0 | 0 | 0 | 0 | 110.7 | A465 | A465-T469 WeakPolarHBondContact O-CG2 3.29Å; A465-T469 PolarHBondContact O-N 3.14Å; A465-T469 PolarHBondContact O-OG1 2.62Å |
| 470 | N | 31.4 | Very low | 35.6 | Very low | 140 Ų | 140 | 126 Ų | 126 | 75% | 0.749 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.2 | 20.7 | 161.8 | -95.8 | -29 | 0 | 0 | 0 | 113.8 | N468 | N468-N470 VanDerWaalsContact C-N 3.35Š|
| 471 | I | 28.1 | Very low | 34.7 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 69% | 0.687 | 66% | 0.659 | S | S | * | * | trans | -130.8 | 86 | 175.2 | -54.7 | 177.2 | 0 | 0 | 0 | 109.2 | ||||
| 472 | K | 27.4 | Very low | 33.8 | Very low | 199 Ų | 199 | 126.9 Ų | 126.9 | 87% | 0.865 | 67% | 0.671 | S | S | * | * | trans | 168.9 | 87.1 | 150.9 | -96.2 | 171.2 | -174.3 | -178.2 | 0 | 108.3 | ||||
| 473 | Q | 29.1 | Very low | 33.2 | Very low | 179 Ų | 179 | 130.5 Ų | 130.5 | 84% | 0.836 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -176.9 | 128.7 | 137.8 | -103.5 | 168.9 | 6.1 | 0 | 0 | 111.3 | ||
| 474 | H | 31.4 | Very low | 32.6 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | trans | 71.7 | 81.3 | 160.5 | -67.8 | -67.6 | 0 | 0 | 0 | 119.5 | ||||
| 475 | S | 26.7 | Very low | 32.3 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | -39.1 | 132.7 | 127.3 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 476 | A | 30.5 | Very low | 31.8 | Very low | 80 Ų | 80 | 130.9 Ų | 130.9 | 66% | 0.661 | 71% | 0.708 | S | S | * | * | 142.8 | 121 | 129.5 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 477 | E | 31 | Very low | 31.4 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | trans | 67 | 144.1 | 140.9 | -63.6 | -177.3 | 150.1 | 0 | 0 | 117.6 | ||||
| 478 | K | 30.3 | Very low | 31.3 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | cis | -178.8 | 153.3 | -8.5 | -119.4 | 174.9 | 173.9 | 170.3 | 0 | 104.2 | ||||
| 479 | D | 32.4 | Very low | 30.9 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 66% | 0.658 | 73% | 0.732 | S | S | * | * | trans | 67.4 | 115.2 | 144.1 | -52.7 | -18.6 | 0 | 0 | 0 | 121 | ||||
| 480 | D | 30.3 | Very low | 30.7 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | 67.6 | 105.9 | 122.7 | -67.4 | -19.7 | 0 | 0 | 0 | 121.7 | |||||
| 481 | A | 31.5 | Very low | 30.6 | Very low | 77 Ų | 77 | 139.1 Ų | 139.1 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | 93.9 | 135.3 | 107.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 482 | L | 31.7 | Very low | 30.6 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | 81.6 | 124.7 | 135.4 | -77.4 | 154.2 | 0 | 0 | 0 | 119.7 | ||||
| 483 | V | 33.2 | Very low | 30.6 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | 101.2 | 95 | 127 | 169.1 | 0 | 0 | 0 | 0 | 118 | |||||
| 484 | D | 31.1 | Very low | 30.5 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | 97.6 | 147.3 | 99.9 | -146.4 | 18.1 | 0 | 0 | 0 | 119.3 | |||||
| 485 | N | 33.4 | Very low | 30.4 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 60% | 0.604 | 72% | 0.72 | S | S | * | * | trans | 94.4 | 90.1 | 153.6 | -64.4 | -47.4 | 0 | 0 | 0 | 122 | ||||
| 486 | T | 30.5 | Very low | 30.5 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | 80.5 | 139.5 | 112.5 | 45.8 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 487 | P | 32.9 | Very low | 30.3 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | trans | -105.7 | 162.5 | -172.3 | 41.4 | -32.2 | 0 | 0 | 0 | 114.3 | ||||
| 488 | K | 33 | Very low | 30.4 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | -150.3 | 123.3 | 158.1 | -84.5 | -171.2 | 179.1 | 175.8 | 0 | 110.9 | ||||
| 489 | D | 29 | Very low | 30.4 | Very low | 133 Ų | 133 | 140 Ų | 140 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | 45.1 | 141.3 | 130.6 | -69.3 | -24.6 | 0 | 0 | 0 | 122.2 | ||||
| 490 | Q | 30.3 | Very low | 30.3 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | 91.3 | 120 | 141.7 | -79 | 165.1 | 40 | 0 | 0 | 119.9 | ||||
| 491 | L | 28.2 | Very low | 30.4 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | 77.3 | 124.3 | 129 | -68.9 | 164.7 | 0 | 0 | 0 | 118.5 | |||||
| 492 | V | 27.9 | Very low | 30.4 | Very low | 106 Ų | 106 | 141 Ų | 141 | 64% | 0.642 | 72% | 0.723 | S | S | * | * | 85.4 | 116 | 127.8 | 172.3 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 493 | E | 27.6 | Very low | 30.3 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 67% | 0.668 | 73% | 0.728 | S | S | * | * | trans | 63.7 | 124.3 | 142.2 | -72.9 | -176 | 119.5 | 0 | 0 | 121.8 | ||||
| 494 | K | 28 | Very low | 30.3 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | trans | 63 | 127.3 | 135.6 | -72.1 | 171.7 | -179.1 | 138.5 | 0 | 117.9 | ||||
| 495 | N | 28 | Very low | 30.1 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | 80.7 | 92.8 | 162.7 | -50.9 | -23 | 0 | 0 | 0 | 114.3 | ||||
| 496 | D | 29.4 | Very low | 29.8 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | trans | -156.8 | 61.7 | 146.9 | -87.7 | -31.7 | 0 | 0 | 0 | 108.7 | ||||
| 497 | I | 27.7 | Very low | 29.8 | Very low | 161 Ų | 161 | 151.9 Ų | 151.9 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | -90.4 | 85.9 | 161.6 | -59.9 | 170.2 | 0 | 0 | 0 | 104.7 | ||||
| 498 | E | 31 | Very low | 29.5 | Very low | 162 Ų | 162 | 153.3 Ų | 153.3 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | trans | -171.8 | -10.1 | 165.6 | -110.6 | 162.3 | -151.9 | 0 | 0 | 116.5 | ||||
| 499 | H | 32 | Very low | 29.1 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 78% | 0.778 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -3.7 | -166.8 | -140.5 | -62.1 | 0 | 0 | 0 | 117.5 | ||
| 500 | F | 28.9 | Very low | 29.1 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 79% | 0.789 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -11.6 | 169.1 | -139.9 | -100.9 | 0 | 0 | 0 | 112.8 | S502 | F500-S502 VanDerWaalsContact C-N 3.34Å; F500-S502 PolarHBondContact O-N 3.02Å |
| 501 | H | 33.9 | Very low | 28.9 | Very low | 137 Ų | 137 | 150 Ų | 150 | 63% | 0.634 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -84.3 | -0.1 | 176.5 | -89 | -64.3 | 0 | 0 | 0 | 114.3 | ||
| 502 | S | 31.3 | Very low | 28.9 | Very low | 55 Ų | 55 | 149.2 Ų | 149.2 | 39% | 0.385 | 75% | 0.752 | S | S | . | * | S | Bend | trans | -101.6 | -13 | -172 | 87.2 | 0 | 0 | 0 | 0 | 116.2 | F500 | F500-S502 VanDerWaalsContact C-N 3.34Å; F500-S502 PolarHBondContact O-N 3.02Å |
| 503 | M | 28.8 | Very low | 28.8 | Very low | 186 Ų | 186 | 154.3 Ų | 154.3 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -84.5 | -8.1 | 176.2 | -92.1 | -176.3 | 76.5 | 0 | 0 | 114.7 | ||
| 504 | V | 32.6 | Very low | 28.7 | Very low | 137 Ų | 137 | 154.8 Ų | 154.8 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -110 | 4.7 | 177.7 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 505 | R | 28.7 | Very low | 28.7 | Very low | 211 Ų | 211 | 152.5 Ų | 152.5 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -124.7 | 19.9 | -171.9 | -101.4 | -176.3 | -177.6 | 171.9 | 1.9 | 117.4 | ||
| 506 | K | 26.6 | Very low | 28.8 | Very low | 190 Ų | 190 | 153 Ų | 153 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -123.7 | 79.6 | 175.5 | -81.5 | -175.9 | 176.2 | 176.8 | 0 | 113.1 | ||||
| 507 | Q | 29.7 | Very low | 28.8 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -173.4 | 125.4 | 154.6 | -102.4 | 178.6 | -4.9 | 0 | 0 | 105.2 | ||
| 508 | N | 27.6 | Very low | 28.9 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | cis | -156.4 | 125.9 | -20.5 | -102.3 | -21.9 | 0 | 0 | 0 | 103.7 | ||||
| 509 | S | 24.8 | Very low | 28.8 | Very low | 103 Ų | 103 | 149.5 Ų | 149.5 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -65.4 | 133 | 152.8 | 52.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 510 | L | 28.3 | Very low | 28.6 | Very low | 171 Ų | 171 | 148.5 Ų | 148.5 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | trans | -172.9 | 129.2 | 137.7 | -117.9 | 104.4 | 0 | 0 | 0 | 110.8 | ||||
| 511 | D | 26.8 | Very low | 28.5 | Very low | 145 Ų | 145 | 148.7 Ų | 148.7 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -69.5 | 174 | 178.7 | -68.1 | -58.1 | 0 | 0 | 0 | 114.4 | ||||
| 512 | T | 26.6 | Very low | 28.2 | Very low | 124 Ų | 124 | 148 Ų | 148 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | 78.7 | 107.6 | 161.1 | 39.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 513 | F | 27.7 | Very low | 28 | Very low | 213 Ų | 213 | 150 Ų | 150 | 93% | 0.934 | 80% | 0.803 | S | S | * | * | -173.1 | 111.9 | 111.2 | -106 | -79 | 0 | 0 | 0 | 110.8 | |||||
| 514 | D | 25.4 | Very low | 28.1 | Very low | 153 Ų | 153 | 150.3 Ų | 150.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -74.7 | 160.5 | 172.7 | -100.4 | -40.1 | 0 | 0 | 0 | 112.7 | ||||
| 515 | S | 27.9 | Very low | 28.1 | Very low | 111 Ų | 111 | 152.1 Ų | 152.1 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 84.6 | 103.2 | 157.8 | 76.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 516 | V | 29.6 | Very low | 28.6 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 92% | 0.915 | 78% | 0.782 | S | S | * | * | -156 | 127.2 | 116.8 | 173.9 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 517 | S | 29.7 | Very low | 29.2 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -84 | 143 | -170.9 | 51.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 518 | K | 28.8 | Very low | 29.6 | Very low | 201 Ų | 201 | 141 Ų | 141 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | 53.4 | 113.6 | 133.1 | -64.5 | -179.3 | 178.3 | 178.7 | 0 | 119.8 | ||||
| 519 | S | 29.2 | Very low | 30.4 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | -156.6 | 107.1 | 124 | 59.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 520 | N | 27.7 | Very low | 31.5 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | trans | 11.1 | 114.7 | 153.1 | -63.1 | -14.4 | 0 | 0 | 0 | 120.3 | ||||
| 521 | H | 27.9 | Very low | 32.3 | Very low | 185 Ų | 185 | 133.8 Ų | 133.8 | 86% | 0.856 | 70% | 0.702 | S | S | * | * | -168 | 101.6 | 118.7 | -91.1 | -63.1 | 0 | 0 | 0 | 108.4 | V523 | H521-V523 PolarHBondContact O-N 3.1Š| |||
| 522 | S | 27 | Very low | 33.1 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 85% | 0.846 | 69% | 0.686 | S | S | * | * | trans | -77.7 | 97.6 | 177.4 | 62 | 0 | 0 | 0 | 0 | 110.4 | K524 | S522-K524 PolarHBondContact O-N 3.46Š| ||
| 523 | V | 27.6 | Very low | 34 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 59% | 0.594 | 66% | 0.657 | S | S | * | * | trans | -83.2 | 107.8 | 166.5 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | H521 Y525 | H521-V523 PolarHBondContact O-N 3.1Å; V523-Y525 HydrophobicContact CB-CE2 4.35Å; V523-Y525 HydrophobicContact CG1-CE2 4.28Å; V523-Y525 WeakPolarHBondContact O-CD2 3.21Å; V523-Y525 PolarHBondContact O-N 3.04Å | ||
| 524 | K | 30.2 | Very low | 34.9 | Very low | 193 Ų | 193 | 115 Ų | 115 | 84% | 0.839 | 62% | 0.617 | S | S | * | * | trans | -65 | 108.5 | 169.1 | -88.3 | -177.3 | 172.8 | -177.7 | 0 | 108.5 | S522 T526 | S522-K524 PolarHBondContact O-N 3.46Å; K524-T526 PolarHBondContact O-N 3.2Å | ||
| 525 | Y | 33.5 | Very low | 36.1 | Very low | 175 Ų | 175 | 112.4 Ų | 112.4 | 69% | 0.686 | 60% | 0.6 | S | S | * | * | trans | -80.2 | 96 | 168.1 | -70.6 | -83.1 | 0 | 0 | 0 | 108.8 | V523 | V523-Y525 HydrophobicContact CB-CE2 4.35Å; V523-Y525 HydrophobicContact CG1-CE2 4.28Å; V523-Y525 WeakPolarHBondContact O-CD2 3.21Å; V523-Y525 PolarHBondContact O-N 3.04Å | ||
| 526 | T | 37.6 | Very low | 37.2 | Very low | 93 Ų | 93 | 109.1 Ų | 109.1 | 57% | 0.571 | 58% | 0.58 | S | S | * | * | trans | -67.8 | 146.5 | 166.7 | 55.9 | 0 | 0 | 0 | 0 | 108.6 | K524 W528 | K524-T526 PolarHBondContact O-N 3.2Å; T526-W528 PolarHBondContact O-N 3.45Å | ||
| 527 | G | 40.5 | Very low | 38.4 | Very low | 48 Ų | 48 | 102.9 Ų | 102.9 | 50% | 0.495 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 15.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | W529 L530 | G527-W529 PolarHBondContact O-N 2.93Å; G527-W529 VanDerWaalsContact O-N 3.12Å; G527-L530 WeakPolarHBondContact O-CB 3.31Å; G527-L530 PolarHBondContact O-N 2.95Å; G527-L530 VanDerWaalsContact O-N 3.07Å |
| 528 | W | 38.1 | Very low | 39.6 | Very low | 169 Ų | 169 | 102.2 Ų | 102.2 | 64% | 0.64 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -55 | -27 | 179.6 | -106.7 | 32.7 | 0 | 0 | 0 | 114.7 | T526 L530 R531 A532 | T526-W528 PolarHBondContact O-N 3.45Å; W528-L530 VanDerWaalsContact C-N 3.34Å; W528-R531 PolarHBondContact O-N 3.18Å; W528-A532 PolarHBondContact O-N 2.57Å; W528-A532 VanDerWaalsContact O-N 3.15Å |
| 529 | W | 44.4 | Very low | 40.8 | Very low | 121 Ų | 121 | 99.4 Ų | 99.4 | 46% | 0.458 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.4 | -30.1 | 178.2 | 68.8 | -82.7 | 0 | 0 | 0 | 112.7 | G527 S533 | G527-W529 PolarHBondContact O-N 2.93Å; G527-W529 VanDerWaalsContact O-N 3.12Å; W529-S533 WeakPolarHBondContact O-CB 3.3Å; W529-S533 PolarHBondContact O-N 3.41Å; W529-S533 VanDerWaalsContact O-N 3.16Å; W529-S533 PolarHBondContact O-OG 3.08Å; W529-S533 VanDerWaalsContact O-OG 3.07Å |
| 530 | L | 46.9 | Very low | 42 | Very low | 35 Ų | 35 | 95 Ų | 95 | 18% | 0.183 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 171.1 | -82.8 | 153.8 | 0 | 0 | 0 | 110.8 | G527 W528 A534 W608 Y648 | G527-L530 WeakPolarHBondContact O-CB 3.31Å; G527-L530 PolarHBondContact O-N 2.95Å; G527-L530 VanDerWaalsContact O-N 3.07Å; W528-L530 VanDerWaalsContact C-N 3.34Å; L530-A534 WeakPolarHBondContact O-CB 3.49Å; L530-A534 PolarHBondContact O-N 3.3Å; L530-W608 HydrophobicContact CD2-CH2 4.27Å; L530-W608 HydrophobicContact CD2-CZ2 3.61Å; L530-Y648 HydrophobicContact CB-CD2 4.1Å; L530-Y648 HydrophobicContact CB-CE2 4.01Å; L530-Y648 HydrophobicContact CD2-CD2 4.36Å |
| 531 | R | 44.5 | Very low | 43 | Very low | 112 Ų | 112 | 88.2 Ų | 88.2 | 42% | 0.423 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.5 | -53.2 | 176.4 | -100.3 | -179 | -167.3 | 178 | -1.2 | 113.3 | W528 S533 A534 E535 E644 Y648 | W528-R531 PolarHBondContact O-N 3.18Å; R531-S533 VanDerWaalsContact C-N 3.31Å; R531-S533 PolarHBondContact O-N 2.89Å; R531-A534 PolarHBondContact O-N 3.24Å; R531-E535 PolarHBondContact O-N 3.44Å; R531-E644 IonicContact CZ-OE1 3.62Å; R531-E644 IonicContact CZ-OE2 3.4Å; R531-E644 IonicContact NE-OE1 3.82Å; R531-E644 IonicContact NE-OE2 2.98Å; R531-E644 PolarHBondContact NE-OE2 3.49Å; R531-E644 VanDerWaalsContact NH2-CD 3.28Å; R531-E644 IonicContact NH2-OE1 2.65Å; R531-E644 PolarHBondContact NH2-OE1 2.97Å; R531-E644 IonicContact NH2-OE2 3.15Å; R531-E644 PolarHBondContact NH2-OE2 3.26Å; R531-E644 VanDerWaalsContact NH2-OE2 3.15Å; R531-Y648 WeakPolarHBondContact CG-OH 3.45Å |
| 532 | A | 43.7 | Very low | 44.1 | Very low | 55 Ų | 55 | 84.7 Ų | 84.7 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.1 | -35.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W528 A536 | W528-A532 PolarHBondContact O-N 2.57Å; W528-A532 VanDerWaalsContact O-N 3.15Å; A532-A536 PolarHBondContact O-N 3.09Å |
| 533 | S | 46.3 | Very low | 45 | Very low | 22 Ų | 22 | 80.6 Ų | 80.6 | 15% | 0.154 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 172 | -76.9 | 0 | 0 | 0 | 0 | 112.3 | W529 R531 A536 W537 R589 | W529-S533 WeakPolarHBondContact O-CB 3.3Å; W529-S533 PolarHBondContact O-N 3.41Å; W529-S533 VanDerWaalsContact O-N 3.16Å; W529-S533 PolarHBondContact O-OG 3.08Å; W529-S533 VanDerWaalsContact O-OG 3.07Å; R531-S533 VanDerWaalsContact C-N 3.31Å; R531-S533 PolarHBondContact O-N 2.89Å; S533-A536 PolarHBondContact O-N 3.29Å; S533-W537 WeakPolarHBondContact O-CB 3.32Å; S533-W537 PolarHBondContact O-N 2.92Å; S533-R589 VanDerWaalsContact CB-NH2 3.32Å; S533-R589 PolarHBondContact OG-NH2 3.5Å |
| 534 | A | 47.2 | Very low | 45.9 | Very low | 11 Ų | 11 | 76.8 Ų | 76.8 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L530 R531 A536 W537 E538 Y648 | L530-A534 WeakPolarHBondContact O-CB 3.49Å; L530-A534 PolarHBondContact O-N 3.3Å; R531-A534 PolarHBondContact O-N 3.24Å; A534-A536 VanDerWaalsContact C-N 3.25Å; A534-A536 PolarHBondContact O-N 3.02Å; A534-W537 CarbonylContact O-C 3.58Å; A534-W537 PolarHBondContact O-N 3.27Å; A534-E538 PolarHBondContact O-N 2.96Å; A534-Y648 HydrophobicContact CB-CD1 3.06Å; A534-Y648 HydrophobicContact CB-CE1 2.98Å; A534-Y648 HydrophobicContact CB-CE2 4.5Å; A534-Y648 HydrophobicContact CB-CG 3.92Å |
| 535 | E | 50 | Low | 46.4 | Very low | 97 Ų | 97 | 72.8 Ų | 72.8 | 45% | 0.453 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 173.7 | -78.5 | -171.2 | -160.3 | 0 | 0 | 112.3 | R531 W537 R539 | R531-E535 PolarHBondContact O-N 3.44Å; E535-W537 VanDerWaalsContact C-N 3.27Å; E535-W537 PolarHBondContact O-N 3.03Å; E535-R539 WeakPolarHBondContact O-CB 3.43Å; E535-R539 VanDerWaalsContact O-CG 3.22Å; E535-R539 WeakPolarHBondContact O-CG 3.38Å; E535-R539 PolarHBondContact O-N 2.86Å; E535-R539 IonicContact OE2-CZ 3.37Å; E535-R539 IonicContact OE2-NH1 2.97Å; E535-R539 PolarHBondContact OE2-NH1 3.07Å; E535-R539 IonicContact OE2-NH2 2.95Å; E535-R539 PolarHBondContact OE2-NH2 2.79Å |
| 536 | A | 51.2 | Low | 46.6 | Very low | 42 Ų | 42 | 69.3 Ų | 69.3 | 35% | 0.347 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.5 | -31.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A532 S533 A534 L540 | A532-A536 PolarHBondContact O-N 3.09Å; S533-A536 PolarHBondContact O-N 3.29Å; A534-A536 VanDerWaalsContact C-N 3.25Å; A534-A536 PolarHBondContact O-N 3.02Å; A536-L540 WeakPolarHBondContact O-CD1 3.19Å; A536-L540 PolarHBondContact O-N 2.69Å |
| 537 | W | 55.5 | Low | 46.2 | Very low | 20 Ų | 20 | 68.3 Ų | 68.3 | 8% | 0.076 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -91.2 | -27.7 | -176.5 | -74.8 | 60.6 | 0 | 0 | 0 | 113.5 | S533 A534 E535 L540 A541 F582 R585 L586 R589 L655 | S533-W537 WeakPolarHBondContact O-CB 3.32Å; S533-W537 PolarHBondContact O-N 2.92Å; A534-W537 CarbonylContact O-C 3.58Å; A534-W537 PolarHBondContact O-N 3.27Å; E535-W537 VanDerWaalsContact C-N 3.27Å; E535-W537 PolarHBondContact O-N 3.03Å; W537-L540 HydrophobicContact CD2-CD1 4.33Å; W537-L540 HydrophobicContact CG-CD1 4.4Å; W537-L540 CarbonylContact O-C 3.48Å; W537-L540 WeakPolarHBondContact O-CB 3.35Å; W537-L540 PolarHBondContact O-N 2.87Å; W537-A541 WeakPolarHBondContact O-CB 3.42Å; W537-A541 PolarHBondContact O-N 3.31Å; W537-F582 HydrophobicContact CD2-CE2 4.47Å; W537-F582 AromaticContact CE3-CE2 3.86Å; W537-F582 HydrophobicContact CE3-CE2 3.86Å; W537-F582 HydrophobicContact CE3-CZ 4.21Å; W537-F582 AromaticContact CH2-CD2 3.37Å; W537-F582 HydrophobicContact CH2-CD2 3.37Å; W537-F582 HydrophobicContact CH2-CE1 4.26Å; W537-F582 AromaticContact CH2-CE2 2.98Å; W537-F582 HydrophobicContact CH2-CE2 2.98Å; W537-F582 HydrophobicContact CH2-CG 4.17Å; W537-F582 AromaticContact CH2-CZ 3.49Å; W537-F582 HydrophobicContact CH2-CZ 3.49Å; W537-F582 VanDerWaalsContact CH2-CZ 3.49Å; W537-F582 AromaticContact CZ2-CD2 3.84Å; W537-F582 HydrophobicContact CZ2-CD2 3.84Å; W537-F582 AromaticContact CZ2-CE2 3.73Å; W537-F582 HydrophobicContact CZ2-CE2 3.73Å; W537-F582 AromaticContact CZ3-CD2 3.95Å; W537-F582 HydrophobicContact CZ3-CD2 3.95Å; W537-F582 HydrophobicContact CZ3-CE1 4.25Å; W537-F582 AromaticContact CZ3-CE2 3.05Å; W537-F582 HydrophobicContact CZ3-CE2 3.05Å; W537-F582 AromaticContact CZ3-CZ 3.24Å; W537-F582 HydrophobicContact CZ3-CZ 3.24Å; W537-R585 HydrophobicContact CZ2-CB 4.36Å; W537-L586 HydrophobicContact CH2-CB 3.99Å; W537-L586 HydrophobicContact CH2-CD1 4.44Å; W537-L586 HydrophobicContact CZ3-CB 4.36Å; W537-L586 HydrophobicContact CZ3-CD1 4.04Å; W537-R589 VanDerWaalsContact CG-NH1 3.34Å; W537-R589 VanDerWaalsContact NE1-CZ 3.27Å; W537-L655 HydrophobicContact CD2-CD2 4.43Å; W537-L655 HydrophobicContact CE3-CD2 3.22Å; W537-L655 HydrophobicContact CZ3-CD2 3.48Å; W537-L655 VanDerWaalsContact CZ3-CD2 3.48Å |
| 538 | E | 53.2 | Low | 45.7 | Very low | 84 Ų | 84 | 68.4 Ų | 68.4 | 39% | 0.393 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 163.5 | -79.8 | -176.2 | 157.9 | 0 | 0 | 109.8 | A534 L540 A541 D542 T651 | A534-E538 PolarHBondContact O-N 2.96Å; E538-L540 PolarHBondContact O-N 3.48Å; E538-A541 PolarHBondContact O-N 2.92Å; E538-A541 VanDerWaalsContact O-N 3.11Å; E538-D542 WeakPolarHBondContact O-CB 3.16Å; E538-D542 VanDerWaalsContact O-CG 3.24Å; E538-D542 PolarHBondContact O-N 2.88Å; E538-T651 HydrophobicContact CG-CG2 3.77Å |
| 539 | R | 53.8 | Low | 45.4 | Very low | 142 Ų | 142 | 61.7 Ų | 61.7 | 54% | 0.536 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.3 | -26 | 173.1 | -69.7 | 176.8 | -169.8 | 115 | 6.3 | 113.5 | E535 A543 | E535-R539 WeakPolarHBondContact O-CB 3.43Å; E535-R539 VanDerWaalsContact O-CG 3.22Å; E535-R539 WeakPolarHBondContact O-CG 3.38Å; E535-R539 PolarHBondContact O-N 2.86Å; E535-R539 IonicContact OE2-CZ 3.37Å; E535-R539 IonicContact OE2-NH1 2.97Å; E535-R539 PolarHBondContact OE2-NH1 3.07Å; E535-R539 IonicContact OE2-NH2 2.95Å; E535-R539 PolarHBondContact OE2-NH2 2.79Å; R539-A543 WeakPolarHBondContact O-CB 3.39Å; R539-A543 PolarHBondContact O-N 3.18Å |
| 540 | L | 54.7 | Low | 44.8 | Very low | 26 Ų | 26 | 59.4 Ų | 59.4 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -80.9 | -38.6 | 173.5 | -86.2 | 153.2 | 0 | 0 | 0 | 112.3 | A536 W537 E538 A543 T544 R571 L576 F582 | A536-L540 WeakPolarHBondContact O-CD1 3.19Å; A536-L540 PolarHBondContact O-N 2.69Å; W537-L540 HydrophobicContact CD2-CD1 4.33Å; W537-L540 HydrophobicContact CG-CD1 4.4Å; W537-L540 CarbonylContact O-C 3.48Å; W537-L540 WeakPolarHBondContact O-CB 3.35Å; W537-L540 PolarHBondContact O-N 2.87Å; E538-L540 PolarHBondContact O-N 3.48Å; L540-A543 CarbonylContact O-C 3.58Å; L540-A543 WeakPolarHBondContact O-CA 3.32Å; L540-A543 WeakPolarHBondContact O-CB 3.46Å; L540-A543 PolarHBondContact O-N 2.96Å; L540-A543 VanDerWaalsContact O-N 3.1Å; L540-T544 WeakPolarHBondContact O-CG2 3.41Å; L540-T544 PolarHBondContact O-N 2.76Å; L540-R571 HydrophobicContact CD2-CB 4.34Å; L540-L576 HydrophobicContact CD2-CD1 3.55Å; L540-L576 HydrophobicContact CD2-CD2 3.42Å; L540-L576 VanDerWaalsContact CD2-CD2 3.42Å; L540-L576 HydrophobicContact CD2-CG 4.08Å; L540-F582 HydrophobicContact CD1-CE2 4.23Å |
| 541 | A | 49.2 | Very low | 44.2 | Very low | 4 Ų | 4 | 62.8 Ų | 62.8 | 3% | 0.033 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | W537 E538 A543 T544 L655 | W537-A541 WeakPolarHBondContact O-CB 3.42Å; W537-A541 PolarHBondContact O-N 3.31Å; E538-A541 PolarHBondContact O-N 2.92Å; E538-A541 VanDerWaalsContact O-N 3.11Å; A541-A543 PolarHBondContact O-N 3.46Å; A541-T544 PolarHBondContact O-N 3.12Å; A541-T544 PolarHBondContact O-OG1 2.81Å; A541-L655 HydrophobicContact CB-CD1 4.06Å |
| 542 | D | 50.3 | Low | 43.7 | Very low | 110 Ų | 110 | 63.3 Ų | 63.3 | 59% | 0.588 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.5 | 172.6 | -63.3 | -20.7 | 0 | 0 | 0 | 112.1 | E538 | E538-D542 WeakPolarHBondContact O-CB 3.16Å; E538-D542 VanDerWaalsContact O-CG 3.24Å; E538-D542 PolarHBondContact O-N 2.88Å |
| 543 | A | 47.2 | Very low | 43.3 | Very low | 35 Ų | 35 | 64 Ų | 64 | 29% | 0.289 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R539 L540 A541 | R539-A543 WeakPolarHBondContact O-CB 3.39Å; R539-A543 PolarHBondContact O-N 3.18Å; L540-A543 CarbonylContact O-C 3.58Å; L540-A543 WeakPolarHBondContact O-CA 3.32Å; L540-A543 WeakPolarHBondContact O-CB 3.46Å; L540-A543 PolarHBondContact O-N 2.96Å; L540-A543 VanDerWaalsContact O-N 3.1Å; A541-A543 PolarHBondContact O-N 3.46Å |
| 544 | T | 45.6 | Very low | 42.4 | Very low | 18 Ų | 18 | 67.8 Ų | 67.8 | 11% | 0.11 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -19.6 | 174.2 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | L540 A541 I546 A573 L576 L655 L659 | L540-T544 WeakPolarHBondContact O-CG2 3.41Å; L540-T544 PolarHBondContact O-N 2.76Å; A541-T544 PolarHBondContact O-N 3.12Å; A541-T544 PolarHBondContact O-OG1 2.81Å; T544-I546 PolarHBondContact O-N 3.4Å; T544-A573 HydrophobicContact CG2-CB 3.89Å; T544-L576 HydrophobicContact CG2-CD1 3.89Å; T544-L655 HydrophobicContact CG2-CD1 3.72Å; T544-L659 HydrophobicContact CG2-CD2 3.77Å; T544-L659 HydrophobicContact CG2-CG 4.45Å |
| 545 | D | 41.1 | Very low | 41.5 | Very low | 110 Ų | 110 | 75 Ų | 75 | 59% | 0.588 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -89.9 | 84.6 | 166.4 | -71.6 | -35.2 | 0 | 0 | 0 | 107.8 | ||
| 546 | I | 37.9 | Very low | 40.5 | Very low | 101 Ų | 101 | 75.9 Ų | 75.9 | 52% | 0.518 | 43% | 0.433 | S | S | . | . | S | Bend | trans | 163.1 | 121.4 | 163.2 | -83.2 | 149.1 | 0 | 0 | 0 | 109.8 | T544 | T544-I546 PolarHBondContact O-N 3.4Š|
| 547 | E | 29.8 | Very low | 39.4 | Very low | 73 Ų | 73 | 81.6 Ų | 81.6 | 34% | 0.341 | 45% | 0.453 | S | S | . | . | trans | -56.3 | 165.3 | -175.6 | -34.7 | 138.3 | 88.6 | 0 | 0 | 116.9 | S16 F17 K42 | S16-E547 VanDerWaalsContact CA-CA 3.46Å; S16-E547 WeakPolarHBondContact CA-OE2 3.36Å; S16-E547 VanDerWaalsContact CB-CD 3.43Å; S16-E547 WeakPolarHBondContact CB-OE2 3.18Å; S16-E547 WeakPolarHBondContact O-CB 3.42Å; S16-E547 WeakPolarHBondContact O-CG 3.32Å; S16-E547 PolarHBondContact OG-OE2 3.09Å; F17-E547 PolarHBondContact N-OE2 2.99Å; K42-E547 IonicContact NZ-OE1 2.71Å; K42-E547 PolarHBondContact NZ-OE1 3.42Å | ||
| 548 | F | 28.8 | Very low | 38.2 | Very low | 50 Ų | 50 | 86.8 Ų | 86.8 | 22% | 0.219 | 48% | 0.482 | C | S | . | . | trans | -88.3 | 153.2 | -166 | -61.3 | -100.2 | 0 | 0 | 0 | 117.4 | T572 A573 L574 | F548-T572 HydrophobicContact CD1-CG2 4.07Å; F548-T572 WeakPolarHBondContact CD1-OG1 3.46Å; F548-T572 HydrophobicContact CE1-CG2 4.21Å; F548-T572 WeakPolarHBondContact CE1-OG1 3.45Å; F548-T572 HydrophobicContact CG-CG2 4.45Å; F548-T572 VanDerWaalsContact CZ-C 3.47Å; F548-A573 HydrophobicContact CE2-CB 4.47Å; F548-A573 HydrophobicContact CZ-CB 3.75Å; F548-L574 HydrophobicContact CD1-CB 3.52Å; F548-L574 HydrophobicContact CD1-CD2 4.32Å; F548-L574 HydrophobicContact CD2-CB 4.49Å; F548-L574 HydrophobicContact CE1-CB 2.98Å; F548-L574 HydrophobicContact CE1-CG 4.35Å; F548-L574 HydrophobicContact CE2-CB 4.09Å; F548-L574 HydrophobicContact CG-CB 4.31Å; F548-L574 HydrophobicContact CZ-CB 3.4Å; F548-L574 VanDerWaalsContact CZ-CB 3.4Å | ||
| 549 | P | 31.5 | Very low | 36.9 | Very low | 28 Ų | 28 | 87.7 Ų | 87.7 | 18% | 0.182 | 50% | 0.498 | C | S | . | . | trans | -111.5 | 142 | 150.3 | 25.5 | -9.2 | 0 | 0 | 0 | 114 | E14 R19 | E14-P549 HydrophobicContact CG-CG 4.25Å; E14-P549 WeakPolarHBondContact OE1-CD 3Å; E14-P549 WeakPolarHBondContact OE1-CG 3.44Å; R19-P549 HydrophobicContact CG-CB 3.99Å; R19-P549 HydrophobicContact CG-CG 3.79Å | ||
| 550 | N | 33.3 | Very low | 35.7 | Very low | 72 Ų | 72 | 91.7 Ų | 91.7 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 159 | 177.5 | -80.3 | -34.8 | 0 | 0 | 0 | 113.5 | ||
| 551 | P | 34.2 | Very low | 34.4 | Very low | 106 Ų | 106 | 99.6 Ų | 99.6 | 69% | 0.688 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -88.9 | 161.7 | -166.2 | 35.7 | -34.8 | 0 | 0 | 0 | 115.1 | ||
| 552 | P | 34.3 | Very low | 33.3 | Very low | 123 Ų | 123 | 104.2 Ų | 104.2 | 80% | 0.799 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 135.1 | 173 | 34.2 | -28.6 | 0 | 0 | 0 | 112.3 | ||
| 553 | G | 34.3 | Very low | 32.3 | Very low | 70 Ų | 70 | 107.1 Ų | 107.1 | 72% | 0.722 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 166.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 554 | C | 27.3 | Very low | 31.4 | Very low | 102 Ų | 102 | 114.5 Ų | 114.5 | 69% | 0.689 | 62% | 0.623 | S | S | * | * | cis | -166.6 | 156.9 | -5.8 | -156.7 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 555 | E | 29.3 | Very low | 30.6 | Very low | 163 Ų | 163 | 121 Ų | 121 | 76% | 0.762 | 66% | 0.656 | S | S | * | * | trans | 69.7 | 140.3 | 157.1 | -66 | 155.6 | -140 | 0 | 0 | 117.1 | ||||
| 556 | T | 28.7 | Very low | 30 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 70% | 0.699 | 67% | 0.672 | S | S | * | * | cis | -169.2 | 161.6 | 1.3 | 14.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 557 | E | 27.1 | Very low | 29.5 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 76% | 0.757 | 69% | 0.687 | S | S | * | * | trans | 86.2 | 119.8 | 148.1 | -80.5 | 176.7 | -155.3 | 0 | 0 | 122 | ||||
| 558 | N | 29.9 | Very low | 29.7 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | trans | 86.6 | 90 | 139 | -61.7 | -25.5 | 0 | 0 | 0 | 120.1 | ||||
| 559 | S | 26.6 | Very low | 30.1 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | 95.9 | 128.5 | 112.5 | 79.5 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 560 | R | 27.8 | Very low | 30.7 | Very low | 226 Ų | 226 | 147.1 Ų | 147.1 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | 87.4 | 93.3 | 152.7 | -67 | 177.5 | 175.4 | 176.3 | -0.4 | 118.9 | ||||
| 561 | H | 27.4 | Very low | 31.7 | Very low | 191 Ų | 191 | 148.9 Ų | 148.9 | 88% | 0.884 | 76% | 0.762 | S | S | * | * | 20.7 | 106.2 | 129.2 | -62 | -41.2 | 0 | 0 | 0 | 118.7 | |||||
| 562 | S | 27 | Very low | 33.2 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | trans | 176.4 | 112.2 | 132.5 | 42.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 563 | I | 28.8 | Very low | 34.8 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 88% | 0.877 | 70% | 0.697 | S | S | * | * | trans | 47.9 | 91.7 | 152.3 | -48.6 | 170.9 | 0 | 0 | 0 | 115.5 | ||||
| 564 | E | 29.1 | Very low | 36.7 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 89% | 0.888 | 67% | 0.674 | S | S | * | * | trans | -116.7 | 125.6 | 178 | -82.6 | -174.5 | 163 | 0 | 0 | 114 | ||||
| 565 | I | 29.6 | Very low | 38.9 | Very low | 154 Ų | 154 | 135 Ų | 135 | 79% | 0.79 | 66% | 0.656 | S | S | * | * | trans | -69.7 | 122.9 | 175.3 | -65 | 160.5 | 0 | 0 | 0 | 109.2 | Q567 | I565-Q567 PolarHBondContact O-N 3.44Š| ||
| 566 | R | 27.4 | Very low | 41 | Very low | 247 Ų | 247 | 127.2 Ų | 127.2 | 93% | 0.932 | 62% | 0.62 | S | S | * | * | trans | -77.2 | 113.9 | 177.1 | -80.9 | -177.6 | 173.7 | 178 | -1.4 | 111.1 | ||||
| 567 | Q | 27.1 | Very low | 43.4 | Very low | 176 Ų | 176 | 122.1 Ų | 122.1 | 82% | 0.822 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 145.1 | 167.7 | -70.8 | -160.8 | -9.2 | 0 | 0 | 112.4 | I565 | I565-Q567 PolarHBondContact O-N 3.44Š|
| 568 | P | 34.3 | Very low | 45.9 | Very low | 130 Ų | 130 | 118 Ų | 118 | 84% | 0.844 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 123.7 | -178.4 | 28 | -32.2 | 0 | 0 | 0 | 112.5 | ||
| 569 | K | 38 | Very low | 48.2 | Very low | 194 Ų | 194 | 113.5 Ų | 113.5 | 84% | 0.843 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 128.2 | 172.1 | -77.1 | 179.9 | 175.1 | 179.4 | 0 | 110.7 | ||
| 570 | R | 44.1 | Very low | 50.5 | Low | 164 Ų | 164 | 111.9 Ų | 111.9 | 62% | 0.619 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 131.9 | 169.5 | -80.8 | 176.3 | 174.6 | -143.9 | 6.7 | 109.9 | E14 | E14-R570 VanDerWaalsContact CB-NH1 3.33Å; E14-R570 PolarHBondContact O-NH1 3.16Å; E14-R570 WeakPolarHBondContact OE2-CD 3.5Å |
| 571 | R | 53 | Low | 52.6 | Low | 109 Ų | 109 | 104.1 Ų | 104.1 | 41% | 0.411 | 52% | 0.515 | S | S | . | . | trans | -110.5 | 127.6 | -179.2 | -63.9 | -175.1 | 179.5 | -147.6 | -5.5 | 109.4 | L540 S575 L576 D579 | L540-R571 HydrophobicContact CD2-CB 4.34Å; R571-S575 WeakPolarHBondContact CA-OG 3.21Å; R571-L576 HydrophobicContact CB-CD2 3.98Å; R571-L576 HydrophobicContact CB-CG 4.38Å; R571-L576 HydrophobicContact CG-CD2 4.42Å; R571-D579 IonicContact CZ-OD2 3.73Å; R571-D579 IonicContact NH1-OD2 3.71Å; R571-D579 PolarHBondContact NH1-OD2 2.89Å; R571-D579 IonicContact NH2-OD2 2.68Å | ||
| 572 | T | 65.4 | Low | 55.1 | Low | 16 Ų | 16 | 95.2 Ų | 95.2 | 10% | 0.098 | 47% | 0.473 | C | S | . | . | trans | -109 | 154 | -179.2 | 48.5 | 0 | 0 | 0 | 0 | 108.9 | F548 L574 S575 L576 | F548-T572 HydrophobicContact CD1-CG2 4.07Å; F548-T572 WeakPolarHBondContact CD1-OG1 3.46Å; F548-T572 HydrophobicContact CE1-CG2 4.21Å; F548-T572 WeakPolarHBondContact CE1-OG1 3.45Å; F548-T572 HydrophobicContact CG-CG2 4.45Å; F548-T572 VanDerWaalsContact CZ-C 3.47Å; T572-L574 PolarHBondContact O-N 3.42Å; T572-S575 PolarHBondContact N-OG 2.96Å; T572-S575 WeakPolarHBondContact O-CA 3.43Å; T572-S575 VanDerWaalsContact O-CB 3.3Å; T572-S575 WeakPolarHBondContact O-CB 3.29Å; T572-S575 PolarHBondContact O-N 3.48Å; T572-S575 PolarHBondContact O-OG 3.27Å; T572-S575 PolarHBondContact OG1-OG 3.49Å; T572-L576 PolarHBondContact O-N 3.38Å | ||
| 573 | A | 69.4 | Low | 57.6 | Low | 3 Ų | 3 | 90.4 Ų | 90.4 | 3% | 0.025 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -45 | -53.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | T544 F548 S575 L576 L577 L659 V662 | T544-A573 HydrophobicContact CG2-CB 3.89Å; F548-A573 HydrophobicContact CE2-CB 4.47Å; F548-A573 HydrophobicContact CZ-CB 3.75Å; A573-S575 VanDerWaalsContact C-N 3.3Å; A573-S575 PolarHBondContact O-N 2.92Å; A573-L576 CarbonylContact O-C 3.53Å; A573-L576 WeakPolarHBondContact O-CA 3.33Å; A573-L576 WeakPolarHBondContact O-CB 3.36Å; A573-L576 PolarHBondContact O-N 2.96Å; A573-L577 WeakPolarHBondContact O-CG 3.36Å; A573-L577 PolarHBondContact O-N 3.27Å; A573-L659 HydrophobicContact CB-CD2 3.79Å; A573-V662 HydrophobicContact CB-CG2 3.7Å |
| 574 | L | 74 | Confident | 59.7 | Low | 45 Ų | 45 | 86.1 Ų | 86.1 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -51.3 | -39 | 166.3 | -161.4 | 71.7 | 0 | 0 | 0 | 113.2 | F548 T572 L576 L577 C578 C664 I668 | F548-L574 HydrophobicContact CD1-CB 3.52Å; F548-L574 HydrophobicContact CD1-CD2 4.32Å; F548-L574 HydrophobicContact CD2-CB 4.49Å; F548-L574 HydrophobicContact CE1-CB 2.98Å; F548-L574 HydrophobicContact CE1-CG 4.35Å; F548-L574 HydrophobicContact CE2-CB 4.09Å; F548-L574 HydrophobicContact CG-CB 4.31Å; F548-L574 HydrophobicContact CZ-CB 3.4Å; F548-L574 VanDerWaalsContact CZ-CB 3.4Å; T572-L574 PolarHBondContact O-N 3.42Å; L574-L576 VanDerWaalsContact C-N 3.28Å; L574-L576 PolarHBondContact O-N 3.36Å; L574-L577 PolarHBondContact O-N 2.93Å; L574-C578 WeakPolarHBondContact O-CB 3.35Å; L574-C578 PolarHBondContact O-N 3.5Å; L574-C578 PolarHBondContact O-SG 3.49Å; L574-C664 HydrophobicContact CD1-CB 3.37Å; L574-I668 HydrophobicContact CD1-CD1 3.8Å; L574-I668 HydrophobicContact CD1-CG2 4.33Å |
| 575 | S | 72.2 | Confident | 61.7 | Low | 45 Ų | 45 | 80 Ų | 80 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.9 | -31.9 | 176.2 | 81.2 | 0 | 0 | 0 | 0 | 111.2 | R571 T572 A573 D579 | R571-S575 WeakPolarHBondContact CA-OG 3.21Å; T572-S575 PolarHBondContact N-OG 2.96Å; T572-S575 WeakPolarHBondContact O-CA 3.43Å; T572-S575 VanDerWaalsContact O-CB 3.3Å; T572-S575 WeakPolarHBondContact O-CB 3.29Å; T572-S575 PolarHBondContact O-N 3.48Å; T572-S575 PolarHBondContact O-OG 3.27Å; T572-S575 PolarHBondContact OG1-OG 3.49Å; A573-S575 VanDerWaalsContact C-N 3.3Å; A573-S575 PolarHBondContact O-N 2.92Å; S575-D579 VanDerWaalsContact O-CB 3.26Å; S575-D579 WeakPolarHBondContact O-CB 3.21Å; S575-D579 PolarHBondContact O-N 3.06Å; S575-D579 VanDerWaalsContact O-N 3.08Å |
| 576 | L | 74.3 | Confident | 64.1 | Low | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -74.7 | -40.3 | 173.4 | -62.1 | 172.8 | 0 | 0 | 0 | 111.8 | L540 T544 R571 T572 A573 L574 C578 D579 F582 L659 | L540-L576 HydrophobicContact CD2-CD1 3.55Å; L540-L576 HydrophobicContact CD2-CD2 3.42Å; L540-L576 VanDerWaalsContact CD2-CD2 3.42Å; L540-L576 HydrophobicContact CD2-CG 4.08Å; T544-L576 HydrophobicContact CG2-CD1 3.89Å; R571-L576 HydrophobicContact CB-CD2 3.98Å; R571-L576 HydrophobicContact CB-CG 4.38Å; R571-L576 HydrophobicContact CG-CD2 4.42Å; T572-L576 PolarHBondContact O-N 3.38Å; A573-L576 CarbonylContact O-C 3.53Å; A573-L576 WeakPolarHBondContact O-CA 3.33Å; A573-L576 WeakPolarHBondContact O-CB 3.36Å; A573-L576 PolarHBondContact O-N 2.96Å; L574-L576 VanDerWaalsContact C-N 3.28Å; L574-L576 PolarHBondContact O-N 3.36Å; L576-C578 VanDerWaalsContact C-N 3.26Å; L576-C578 PolarHBondContact O-N 3.42Å; L576-D579 PolarHBondContact O-N 3.39Å; L576-F582 HydrophobicContact CB-CD1 4.02Å; L576-F582 HydrophobicContact CB-CE1 3.89Å; L576-F582 HydrophobicContact CB-CG 4.45Å; L576-F582 HydrophobicContact CB-CZ 4.16Å; L576-F582 HydrophobicContact CD1-CE2 4.44Å; L576-F582 HydrophobicContact CD1-CZ 4.33Å; L576-F582 HydrophobicContact CD2-CD1 4.48Å; L576-F582 HydrophobicContact CD2-CD2 3.83Å; L576-F582 HydrophobicContact CD2-CE2 3.93Å; L576-F582 HydrophobicContact CD2-CG 4.1Å; L576-F582 HydrophobicContact CD2-CZ 4.36Å; L576-F582 VanDerWaalsContact O-CD1 3.3Å; L576-F582 WeakPolarHBondContact O-CD1 3.29Å; L576-L659 HydrophobicContact CB-CD2 4.02Å; L576-L659 HydrophobicContact CD1-CD2 4.17Å |
| 577 | L | 79.6 | Confident | 66.4 | Low | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -37.3 | 173.3 | -72.6 | 173.3 | 0 | 0 | 0 | 111.7 | A573 L574 L659 V662 I668 F672 | A573-L577 WeakPolarHBondContact O-CG 3.36Å; A573-L577 PolarHBondContact O-N 3.27Å; L574-L577 PolarHBondContact O-N 2.93Å; L577-L659 HydrophobicContact CD2-CB 4.03Å; L577-L659 HydrophobicContact CG-CD2 4.48Å; L577-V662 HydrophobicContact CD1-CB 4.27Å; L577-I668 HydrophobicContact CB-CG2 3.8Å; L577-I668 HydrophobicContact CD1-CG2 4.47Å; L577-F672 HydrophobicContact CD2-CB 4.1Å; L577-F672 HydrophobicContact CD2-CD1 3.57Å; L577-F672 HydrophobicContact CD2-CD2 3.91Å; L577-F672 HydrophobicContact CD2-CE1 3.83Å; L577-F672 HydrophobicContact CD2-CE2 4.15Å; L577-F672 HydrophobicContact CD2-CG 3.59Å; L577-F672 HydrophobicContact CD2-CZ 4.11Å; L577-F672 WeakPolarHBondContact O-CD2 3.24Å |
| 578 | C | 79.7 | Confident | 68.4 | Low | 76 Ų | 76 | 55.4 Ų | 55.4 | 51% | 0.514 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -11.1 | 177 | -65.4 | 0 | 0 | 0 | 0 | 114 | L574 L576 S580 | L574-C578 WeakPolarHBondContact O-CB 3.35Å; L574-C578 PolarHBondContact O-N 3.5Å; L574-C578 PolarHBondContact O-SG 3.49Å; L576-C578 VanDerWaalsContact C-N 3.26Å; L576-C578 PolarHBondContact O-N 3.42Å; C578-S580 PolarHBondContact O-N 3.01Å |
| 579 | D | 77.4 | Confident | 70.2 | Confident | 35 Ų | 35 | 51.1 Ų | 51.1 | 19% | 0.187 | 25% | 0.248 | C | C | . | . | trans | -84 | 96.6 | -179.3 | -179.4 | -6.9 | 0 | 0 | 0 | 109.8 | R571 S575 L576 E581 F582 G583 | R571-D579 IonicContact CZ-OD2 3.73Å; R571-D579 IonicContact NH1-OD2 3.71Å; R571-D579 PolarHBondContact NH1-OD2 2.89Å; R571-D579 IonicContact NH2-OD2 2.68Å; S575-D579 VanDerWaalsContact O-CB 3.26Å; S575-D579 WeakPolarHBondContact O-CB 3.21Å; S575-D579 PolarHBondContact O-N 3.06Å; S575-D579 VanDerWaalsContact O-N 3.08Å; L576-D579 PolarHBondContact O-N 3.39Å; D579-E581 PolarHBondContact O-N 2.68Å; D579-E581 WeakPolarHBondContact OD1-CB 3.21Å; D579-E581 PolarHBondContact OD1-N 2.87Å; D579-F582 HydrophobicContact CB-CB 3.76Å; D579-F582 VanDerWaalsContact CG-CB 3.48Å; D579-F582 WeakPolarHBondContact O-CB 3.37Å; D579-F582 PolarHBondContact O-N 3.33Å; D579-F582 VanDerWaalsContact O-N 3.16Å; D579-F582 PolarHBondContact OD1-N 2.72Å; D579-G583 PolarHBondContact O-N 2.86Å | ||
| 580 | S | 75.5 | Confident | 71.9 | Confident | 68 Ų | 68 | 42 Ų | 42 | 48% | 0.476 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.1 | -29.9 | 178.7 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | C578 Q584 | C578-S580 PolarHBondContact O-N 3.01Å; S580-Q584 WeakPolarHBondContact O-CB 3.38Å; S580-Q584 VanDerWaalsContact O-CG 3.27Å; S580-Q584 WeakPolarHBondContact O-CG 3.27Å; S580-Q584 PolarHBondContact O-N 3.38Å |
| 581 | E | 71.8 | Confident | 73.1 | Confident | 63 Ų | 63 | 35.4 Ų | 35.4 | 29% | 0.294 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -73.7 | -42.7 | 178.8 | -167.5 | -173.9 | 170.8 | 0 | 0 | 110.1 | D579 Q584 R585 | D579-E581 PolarHBondContact O-N 2.68Å; D579-E581 WeakPolarHBondContact OD1-CB 3.21Å; D579-E581 PolarHBondContact OD1-N 2.87Å; E581-Q584 PolarHBondContact O-N 3.04Å; E581-R585 WeakPolarHBondContact O-CB 3.41Å; E581-R585 VanDerWaalsContact O-CG 3.24Å; E581-R585 WeakPolarHBondContact O-CG 3.37Å; E581-R585 PolarHBondContact O-N 2.82Å; E581-R585 IonicContact OE1-CZ 2.88Å; E581-R585 IonicContact OE1-NE 3.21Å; E581-R585 PolarHBondContact OE1-NE 3Å; E581-R585 IonicContact OE1-NH2 3.47Å; E581-R585 PolarHBondContact OE1-NH2 3.35Å |
| 582 | F | 79.1 | Confident | 73.7 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -46.7 | 170.4 | 171.9 | -91.1 | 0 | 0 | 0 | 111.6 | W537 L540 L576 D579 Q584 R585 L586 L655 L659 F672 | W537-F582 HydrophobicContact CD2-CE2 4.47Å; W537-F582 AromaticContact CE3-CE2 3.86Å; W537-F582 HydrophobicContact CE3-CE2 3.86Å; W537-F582 HydrophobicContact CE3-CZ 4.21Å; W537-F582 AromaticContact CH2-CD2 3.37Å; W537-F582 HydrophobicContact CH2-CD2 3.37Å; W537-F582 HydrophobicContact CH2-CE1 4.26Å; W537-F582 AromaticContact CH2-CE2 2.98Å; W537-F582 HydrophobicContact CH2-CE2 2.98Å; W537-F582 HydrophobicContact CH2-CG 4.17Å; W537-F582 AromaticContact CH2-CZ 3.49Å; W537-F582 HydrophobicContact CH2-CZ 3.49Å; W537-F582 VanDerWaalsContact CH2-CZ 3.49Å; W537-F582 AromaticContact CZ2-CD2 3.84Å; W537-F582 HydrophobicContact CZ2-CD2 3.84Å; W537-F582 AromaticContact CZ2-CE2 3.73Å; W537-F582 HydrophobicContact CZ2-CE2 3.73Å; W537-F582 AromaticContact CZ3-CD2 3.95Å; W537-F582 HydrophobicContact CZ3-CD2 3.95Å; W537-F582 HydrophobicContact CZ3-CE1 4.25Å; W537-F582 AromaticContact CZ3-CE2 3.05Å; W537-F582 HydrophobicContact CZ3-CE2 3.05Å; W537-F582 AromaticContact CZ3-CZ 3.24Å; W537-F582 HydrophobicContact CZ3-CZ 3.24Å; L540-F582 HydrophobicContact CD1-CE2 4.23Å; L576-F582 HydrophobicContact CB-CD1 4.02Å; L576-F582 HydrophobicContact CB-CE1 3.89Å; L576-F582 HydrophobicContact CB-CG 4.45Å; L576-F582 HydrophobicContact CB-CZ 4.16Å; L576-F582 HydrophobicContact CD1-CE2 4.44Å; L576-F582 HydrophobicContact CD1-CZ 4.33Å; L576-F582 HydrophobicContact CD2-CD1 4.48Å; L576-F582 HydrophobicContact CD2-CD2 3.83Å; L576-F582 HydrophobicContact CD2-CE2 3.93Å; L576-F582 HydrophobicContact CD2-CG 4.1Å; L576-F582 HydrophobicContact CD2-CZ 4.36Å; L576-F582 VanDerWaalsContact O-CD1 3.3Å; L576-F582 WeakPolarHBondContact O-CD1 3.29Å; D579-F582 HydrophobicContact CB-CB 3.76Å; D579-F582 VanDerWaalsContact CG-CB 3.48Å; D579-F582 WeakPolarHBondContact O-CB 3.37Å; D579-F582 PolarHBondContact O-N 3.33Å; D579-F582 VanDerWaalsContact O-N 3.16Å; D579-F582 PolarHBondContact OD1-N 2.72Å; F582-Q584 PolarHBondContact O-N 3.34Å; F582-R585 PolarHBondContact O-N 2.87Å; F582-L586 HydrophobicContact CE1-CD2 4.34Å; F582-L586 WeakPolarHBondContact O-CB 3.35Å; F582-L586 PolarHBondContact O-N 3.39Å; F582-L655 HydrophobicContact CZ-CD2 4.07Å; F582-L659 HydrophobicContact CE1-CD1 3.67Å; F582-L659 HydrophobicContact CZ-CD1 3.81Å; F582-F672 HydrophobicContact CD1-CE2 4.2Å; F582-F672 HydrophobicContact CE1-CE2 4.12Å; F582-F672 HydrophobicContact CE1-CZ 4.35Å |
| 583 | G | 79 | Confident | 73.5 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.5 | -46.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D579 R585 L586 S587 T676 | D579-G583 PolarHBondContact O-N 2.86Å; G583-R585 PolarHBondContact O-N 2.73Å; G583-L586 PolarHBondContact O-N 3.11Å; G583-S587 WeakPolarHBondContact O-CB 3.37Å; G583-S587 PolarHBondContact O-N 3.39Å; G583-T676 WeakPolarHBondContact O-CG2 3.35Å |
| 584 | Q | 73.3 | Confident | 73 | Confident | 81 Ų | 81 | 32.3 Ų | 32.3 | 38% | 0.379 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 175.3 | -75 | 175.5 | 13.4 | 0 | 0 | 112.5 | S580 E581 F582 S587 L588 V675 | S580-Q584 WeakPolarHBondContact O-CB 3.38Å; S580-Q584 VanDerWaalsContact O-CG 3.27Å; S580-Q584 WeakPolarHBondContact O-CG 3.27Å; S580-Q584 PolarHBondContact O-N 3.38Å; E581-Q584 PolarHBondContact O-N 3.04Å; F582-Q584 PolarHBondContact O-N 3.34Å; Q584-S587 WeakPolarHBondContact O-CB 3.16Å; Q584-S587 PolarHBondContact O-N 2.92Å; Q584-L588 WeakPolarHBondContact O-CB 3.29Å; Q584-L588 WeakPolarHBondContact O-CD1 3.45Å; Q584-L588 VanDerWaalsContact O-CG 3.25Å; Q584-L588 WeakPolarHBondContact O-CG 3.44Å; Q584-L588 PolarHBondContact O-N 3.4Å; Q584-V675 HydrophobicContact CG-CG1 4.01Å |
| 585 | R | 71.3 | Confident | 71.9 | Confident | 62 Ų | 62 | 34.8 Ų | 34.8 | 23% | 0.234 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -40.2 | 176.8 | -70.3 | 171.6 | -170.9 | -131 | 12.6 | 111.8 | E452 W537 E581 F582 G583 R589 | E452-R585 IonicContact OE1-CZ 2.82Å; E452-R585 IonicContact OE1-NH1 3.67Å; E452-R585 PolarHBondContact OE1-NH1 3.47Å; E452-R585 VanDerWaalsContact OE1-NH1 3.13Å; E452-R585 IonicContact OE2-CZ 3.22Å; E452-R585 IonicContact OE2-NE 2.85Å; E452-R585 PolarHBondContact OE2-NE 2.93Å; E452-R585 IonicContact OE2-NH1 2.9Å; E452-R585 PolarHBondContact OE2-NH1 3.38Å; E452-R585 IonicContact OE2-NH2 2.72Å; W537-R585 HydrophobicContact CZ2-CB 4.36Å; E581-R585 WeakPolarHBondContact O-CB 3.41Å; E581-R585 VanDerWaalsContact O-CG 3.24Å; E581-R585 WeakPolarHBondContact O-CG 3.37Å; E581-R585 PolarHBondContact O-N 2.82Å; E581-R585 IonicContact OE1-CZ 2.88Å; E581-R585 IonicContact OE1-NE 3.21Å; E581-R585 PolarHBondContact OE1-NE 3Å; E581-R585 IonicContact OE1-NH2 3.47Å; E581-R585 PolarHBondContact OE1-NH2 3.35Å; F582-R585 PolarHBondContact O-N 2.87Å; G583-R585 PolarHBondContact O-N 2.73Å; R585-R589 VanDerWaalsContact O-CG 3.31Å; R585-R589 WeakPolarHBondContact O-CG 3.39Å; R585-R589 PolarHBondContact O-N 2.93Å; R585-R589 VanDerWaalsContact O-N 3.14Å |
| 586 | L | 79.3 | Confident | 70.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64 | -45.4 | 174.2 | 179.2 | 59.9 | 0 | 0 | 0 | 111.1 | W537 F582 G583 L588 R589 L590 L652 V656 F672 T676 | W537-L586 HydrophobicContact CH2-CB 3.99Å; W537-L586 HydrophobicContact CH2-CD1 4.44Å; W537-L586 HydrophobicContact CZ3-CB 4.36Å; W537-L586 HydrophobicContact CZ3-CD1 4.04Å; F582-L586 HydrophobicContact CE1-CD2 4.34Å; F582-L586 WeakPolarHBondContact O-CB 3.35Å; F582-L586 PolarHBondContact O-N 3.39Å; G583-L586 PolarHBondContact O-N 3.11Å; L586-L588 PolarHBondContact O-N 2.85Å; L586-R589 PolarHBondContact O-N 3.43Å; L586-L590 HydrophobicContact CD1-CD1 4.17Å; L586-L590 HydrophobicContact CD1-CG 4.32Å; L586-L590 HydrophobicContact CG-CD1 4.08Å; L586-L590 PolarHBondContact O-N 3.13Å; L586-L652 HydrophobicContact CD1-CD1 3.64Å; L586-L652 HydrophobicContact CD1-CD2 4.5Å; L586-L652 HydrophobicContact CD1-CG 4.02Å; L586-V656 HydrophobicContact CD1-CG2 4.15Å; L586-V656 HydrophobicContact CD2-CG2 4.07Å; L586-F672 HydrophobicContact CD2-CE1 4.4Å; L586-F672 HydrophobicContact CD2-CE2 4.4Å; L586-F672 HydrophobicContact CD2-CZ 3.61Å; L586-T676 HydrophobicContact CD2-CG2 4.25Å |
| 587 | S | 76.4 | Confident | 69.1 | Low | 21 Ų | 21 | 39.8 Ų | 39.8 | 15% | 0.147 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.2 | -50.5 | 175.5 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | G583 Q584 R589 L590 A591 T676 | G583-S587 WeakPolarHBondContact O-CB 3.37Å; G583-S587 PolarHBondContact O-N 3.39Å; Q584-S587 WeakPolarHBondContact O-CB 3.16Å; Q584-S587 PolarHBondContact O-N 2.92Å; S587-R589 VanDerWaalsContact C-N 3.26Å; S587-R589 PolarHBondContact O-N 2.83Å; S587-L590 PolarHBondContact O-N 3.45Å; S587-A591 WeakPolarHBondContact O-CB 3.14Å; S587-A591 PolarHBondContact O-N 2.93Å; S587-T676 PolarHBondContact OG-O 3.32Å |
| 588 | L | 70 | Confident | 67.2 | Low | 40 Ų | 40 | 46.8 Ų | 46.8 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.4 | -40 | 177.7 | -75.8 | 164.3 | 0 | 0 | 0 | 112.1 | V455 L459 Q584 L586 S592 | V455-L588 HydrophobicContact CG1-CD2 4.27Å; L459-L588 HydrophobicContact CD1-CD2 3.08Å; Q584-L588 WeakPolarHBondContact O-CB 3.29Å; Q584-L588 WeakPolarHBondContact O-CD1 3.45Å; Q584-L588 VanDerWaalsContact O-CG 3.25Å; Q584-L588 WeakPolarHBondContact O-CG 3.44Å; Q584-L588 PolarHBondContact O-N 3.4Å; L586-L588 PolarHBondContact O-N 2.85Å; L588-S592 WeakPolarHBondContact O-CB 3.21Å; L588-S592 PolarHBondContact O-N 3.48Å |
| 589 | R | 72 | Confident | 65.3 | Low | 39 Ų | 39 | 54.1 Ų | 54.1 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.4 | -46.4 | 178.8 | -71.3 | 174.2 | -174.6 | -158.9 | 1.9 | 112.4 | S533 W537 R585 L586 S587 A591 S592 A593 L652 | S533-R589 VanDerWaalsContact CB-NH2 3.32Å; S533-R589 PolarHBondContact OG-NH2 3.5Å; W537-R589 VanDerWaalsContact CG-NH1 3.34Å; W537-R589 VanDerWaalsContact NE1-CZ 3.27Å; R585-R589 VanDerWaalsContact O-CG 3.31Å; R585-R589 WeakPolarHBondContact O-CG 3.39Å; R585-R589 PolarHBondContact O-N 2.93Å; R585-R589 VanDerWaalsContact O-N 3.14Å; L586-R589 PolarHBondContact O-N 3.43Å; S587-R589 VanDerWaalsContact C-N 3.26Å; S587-R589 PolarHBondContact O-N 2.83Å; R589-A591 VanDerWaalsContact C-N 3.33Å; R589-A591 PolarHBondContact O-N 3.44Å; R589-S592 PolarHBondContact O-N 2.9Å; R589-S592 PolarHBondContact O-OG 3.44Å; R589-A593 PolarHBondContact O-N 3.01Å; R589-A593 VanDerWaalsContact O-N 3.08Å; R589-L652 HydrophobicContact CB-CD1 4.48Å |
| 590 | L | 74.1 | Confident | 63.3 | Low | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 175 | -74.6 | 169.7 | 0 | 0 | 0 | 111.5 | L586 S587 A593 S594 L652 V656 L678 Q681 | L586-L590 HydrophobicContact CD1-CD1 4.17Å; L586-L590 HydrophobicContact CD1-CG 4.32Å; L586-L590 HydrophobicContact CG-CD1 4.08Å; L586-L590 PolarHBondContact O-N 3.13Å; S587-L590 PolarHBondContact O-N 3.45Å; L590-A593 WeakPolarHBondContact O-CB 3.35Å; L590-A593 PolarHBondContact O-N 2.67Å; L590-A593 VanDerWaalsContact O-N 3.13Å; L590-S594 PolarHBondContact O-N 2.66Å; L590-S594 PolarHBondContact O-OG 3.16Å; L590-L652 HydrophobicContact CD2-CD2 3.37Å; L590-L652 HydrophobicContact CD2-CG 4.46Å; L590-L652 HydrophobicContact CG-CD2 3.86Å; L590-V656 HydrophobicContact CD1-CG2 4.46Å; L590-L678 HydrophobicContact CD1-CD1 3.39Å; L590-Q681 HydrophobicContact CB-CB 4.08Å; L590-Q681 HydrophobicContact CB-CG 4.48Å |
| 591 | A | 69.1 | Low | 61.1 | Low | 27 Ų | 27 | 57.3 Ų | 57.3 | 22% | 0.223 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S587 R589 A593 S594 V595 | S587-A591 WeakPolarHBondContact O-CB 3.14Å; S587-A591 PolarHBondContact O-N 2.93Å; R589-A591 VanDerWaalsContact C-N 3.33Å; R589-A591 PolarHBondContact O-N 3.44Å; A591-A593 PolarHBondContact O-N 2.76Å; A591-S594 WeakPolarHBondContact CA-OG 3.28Å; A591-S594 PolarHBondContact O-N 3.5Å; A591-S594 VanDerWaalsContact O-N 3.09Å; A591-S594 PolarHBondContact O-OG 3.49Å; A591-S594 VanDerWaalsContact O-OG 3.09Å; A591-V595 WeakPolarHBondContact O-CG2 3.38Å; A591-V595 PolarHBondContact O-N 3.22Å |
| 592 | S | 64 | Low | 59.4 | Low | 40 Ų | 40 | 60.2 Ų | 60.2 | 28% | 0.28 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.7 | -25.3 | 174.6 | 76.2 | 0 | 0 | 0 | 0 | 113.3 | L588 R589 | L588-S592 WeakPolarHBondContact O-CB 3.21Å; L588-S592 PolarHBondContact O-N 3.48Å; R589-S592 PolarHBondContact O-N 2.9Å; R589-S592 PolarHBondContact O-OG 3.44Å |
| 593 | A | 62.1 | Low | 57.3 | Low | 4 Ų | 4 | 69.4 Ų | 69.4 | 3% | 0.033 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -83.3 | -24 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R589 L590 A591 W608 L649 L685 | R589-A593 PolarHBondContact O-N 3.01Å; R589-A593 VanDerWaalsContact O-N 3.08Å; L590-A593 WeakPolarHBondContact O-CB 3.35Å; L590-A593 PolarHBondContact O-N 2.67Å; L590-A593 VanDerWaalsContact O-N 3.13Å; A591-A593 PolarHBondContact O-N 2.76Å; A593-W608 HydrophobicContact CB-CB 4.32Å; A593-W608 HydrophobicContact CB-CD2 4.29Å; A593-W608 HydrophobicContact CB-CG 3.95Å; A593-L649 HydrophobicContact CB-CD1 4.48Å; A593-L685 HydrophobicContact CB-CD1 3.96Å; A593-L685 WeakPolarHBondContact O-CD1 3.33Å |
| 594 | S | 58.1 | Low | 55.5 | Low | 19 Ų | 19 | 74.7 Ų | 74.7 | 13% | 0.133 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -91.6 | -18.4 | -176.1 | 67.7 | 0 | 0 | 0 | 0 | 114.6 | L590 A591 I596 Q681 | L590-S594 PolarHBondContact O-N 2.66Å; L590-S594 PolarHBondContact O-OG 3.16Å; A591-S594 WeakPolarHBondContact CA-OG 3.28Å; A591-S594 PolarHBondContact O-N 3.5Å; A591-S594 VanDerWaalsContact O-N 3.09Å; A591-S594 PolarHBondContact O-OG 3.49Å; A591-S594 VanDerWaalsContact O-OG 3.09Å; S594-I596 PolarHBondContact O-N 2.63Å; S594-Q681 PolarHBondContact OG-OE1 3.42Å |
| 595 | V | 52.3 | Low | 54 | Low | 96 Ų | 96 | 75.3 Ų | 75.3 | 58% | 0.582 | 40% | 0.402 | S | S | * | . | trans | -82.5 | 98.9 | 177.4 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | A591 | A591-V595 WeakPolarHBondContact O-CG2 3.38Å; A591-V595 PolarHBondContact O-N 3.22Å | ||
| 596 | I | 45.6 | Very low | 52.8 | Low | 47 Ų | 47 | 78.3 Ų | 78.3 | 24% | 0.241 | 42% | 0.418 | C | S | . | . | trans | -120.7 | 93.8 | 161 | -49.1 | 177 | 0 | 0 | 0 | 106.7 | S594 A609 S688 F692 | S594-I596 PolarHBondContact O-N 2.63Å; I596-A609 HydrophobicContact CD1-CB 3.16Å; I596-A609 HydrophobicContact CG1-CB 3.63Å; I596-S688 WeakPolarHBondContact CD1-OG 3.44Å; I596-S688 VanDerWaalsContact CG1-OG 3.31Å; I596-S688 WeakPolarHBondContact CG1-OG 3.36Å; I596-F692 HydrophobicContact CD1-CB 4.35Å; I596-F692 HydrophobicContact CD1-CD2 4.13Å; I596-F692 HydrophobicContact CD1-CG 4.35Å; I596-F692 HydrophobicContact CG2-CD2 3.81Å; I596-F692 HydrophobicContact CG2-CE2 3.77Å | ||
| 597 | D | 40.8 | Very low | 51.4 | Low | 104 Ų | 104 | 79.2 Ų | 79.2 | 56% | 0.556 | 43% | 0.425 | S | S | * | . | trans | -115.9 | 119.7 | 165.2 | -164.3 | -6.1 | 0 | 0 | 0 | 108.8 | R599 W602 | D597-R599 PolarHBondContact O-N 3.01Å; D597-W602 PolarHBondContact O-NE1 3.46Å; D597-W602 VanDerWaalsContact O-NE1 3.08Å | ||
| 598 | E | 40.3 | Very low | 50.3 | Low | 153 Ų | 153 | 79.4 Ų | 79.4 | 72% | 0.715 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 2.4 | -173.1 | -69.6 | -175 | 151 | 0 | 0 | 113.5 | ||
| 599 | R | 40.6 | Very low | 49.4 | Very low | 230 Ų | 230 | 77.7 Ų | 77.7 | 87% | 0.868 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | 6.8 | -166.7 | -66.8 | -172.2 | 179.4 | -176.5 | -0.6 | 117.9 | D597 | D597-R599 PolarHBondContact O-N 3.01Š|
| 600 | A | 34 | Very low | 48.3 | Very low | 57 Ų | 57 | 77.8 Ų | 77.8 | 47% | 0.471 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -99 | 148.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | W602 | A600-W602 VanDerWaalsContact C-CD1 3.45Å; A600-W602 VanDerWaalsContact O-CG 3.24Å; A600-W602 PolarHBondContact O-N 2.66Å; A600-W602 VanDerWaalsContact O-N 3.13Å; A600-W602 PolarHBondContact O-NE1 2.96Å |
| 601 | A | 29.9 | Very low | 47.3 | Very low | 114 Ų | 114 | 78.7 Ų | 78.7 | 94% | 0.942 | 43% | 0.429 | S | S | * | . | trans | -78.1 | 95.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 602 | W | 35.1 | Very low | 46.7 | Very low | 124 Ų | 124 | 77.6 Ų | 77.6 | 47% | 0.47 | 42% | 0.419 | S | S | . | . | trans | -120.1 | 32.7 | -169.6 | 34.4 | -116.1 | 0 | 0 | 0 | 115.3 | D597 A600 S604 I605 | D597-W602 PolarHBondContact O-NE1 3.46Å; D597-W602 VanDerWaalsContact O-NE1 3.08Å; A600-W602 VanDerWaalsContact C-CD1 3.45Å; A600-W602 VanDerWaalsContact O-CG 3.24Å; A600-W602 PolarHBondContact O-N 2.66Å; A600-W602 VanDerWaalsContact O-N 3.13Å; A600-W602 PolarHBondContact O-NE1 2.96Å; W602-S604 PolarHBondContact O-N 3.34Å; W602-I605 PolarHBondContact O-N 3.17Å; W602-I605 VanDerWaalsContact O-N 3.16Å | ||
| 603 | E | 36 | Very low | 46.3 | Very low | 197 Ų | 197 | 76.7 Ų | 76.7 | 92% | 0.921 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -6.9 | 177.9 | -67.8 | -174.9 | 166.1 | 0 | 0 | 115 | ||
| 604 | S | 42.1 | Very low | 45.8 | Very low | 111 Ų | 111 | 81.4 Ų | 81.4 | 78% | 0.776 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -7.1 | 178.9 | 60.4 | 0 | 0 | 0 | 0 | 116.8 | W602 | W602-S604 PolarHBondContact O-N 3.34Š|
| 605 | I | 40.8 | Very low | 45 | Very low | 95 Ų | 95 | 87.3 Ų | 87.3 | 49% | 0.487 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -139.8 | 105.7 | 177.7 | -54.8 | 177.8 | 0 | 0 | 0 | 109.3 | W602 S607 | W602-I605 PolarHBondContact O-N 3.17Å; W602-I605 VanDerWaalsContact O-N 3.16Å; I605-S607 PolarHBondContact O-N 2.9Å |
| 606 | H | 45.3 | Very low | 44.3 | Very low | 124 Ų | 124 | 88.2 Ų | 88.2 | 57% | 0.574 | 47% | 0.473 | S | S | * | . | trans | -69.4 | 119.2 | 176.5 | -78.6 | 40.8 | 0 | 0 | 0 | 110.3 | ||||
| 607 | S | 50.1 | Low | 43.7 | Very low | 20 Ų | 20 | 91.3 Ų | 91.3 | 14% | 0.14 | 50% | 0.499 | C | S | . | . | trans | -60.7 | 146.7 | 169.1 | 77.8 | 0 | 0 | 0 | 0 | 109.7 | I605 A609 S610 A611 | I605-S607 PolarHBondContact O-N 2.9Å; S607-A609 PolarHBondContact O-N 3.15Å; S607-S610 PolarHBondContact O-N 2.82Å; S607-S610 WeakPolarHBondContact OG-CB 2.95Å; S607-S610 PolarHBondContact OG-N 2.95Å; S607-S610 PolarHBondContact OG-OG 3.38Å; S607-A611 PolarHBondContact O-N 3.34Å | ||
| 608 | W | 54.2 | Low | 43.2 | Very low | 24 Ų | 24 | 92.2 Ų | 92.2 | 9% | 0.091 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -54.1 | -38.5 | 174.4 | -85.3 | 65.7 | 0 | 0 | 0 | 111.2 | L530 A593 S610 A611 L612 A645 Y648 L649 | L530-W608 HydrophobicContact CD2-CH2 4.27Å; L530-W608 HydrophobicContact CD2-CZ2 3.61Å; A593-W608 HydrophobicContact CB-CB 4.32Å; A593-W608 HydrophobicContact CB-CD2 4.29Å; A593-W608 HydrophobicContact CB-CG 3.95Å; W608-S610 PolarHBondContact O-N 3.48Å; W608-A611 PolarHBondContact O-N 3.36Å; W608-L612 HydrophobicContact CB-CD1 4.46Å; W608-L612 WeakPolarHBondContact O-CB 3.32Å; W608-L612 WeakPolarHBondContact O-CD1 3.39Å; W608-L612 WeakPolarHBondContact O-CG 3.02Å; W608-L612 PolarHBondContact O-N 2.86Å; W608-A645 HydrophobicContact CE3-CB 4.42Å; W608-A645 WeakPolarHBondContact CZ3-O 3.48Å; W608-Y648 VanDerWaalsContact CH2-CB 3.47Å; W608-L649 HydrophobicContact CE3-CB 4.04Å; W608-L649 HydrophobicContact CH2-CB 4.14Å; W608-L649 HydrophobicContact CZ3-CB 3.42Å; W608-L649 VanDerWaalsContact CZ3-CB 3.42Å; W608-L649 HydrophobicContact CZ3-CD1 4.34Å; W608-L649 HydrophobicContact CZ3-CG 4.35Å; W608-L649 VanDerWaalsContact CZ3-N 3.27Å |
| 609 | A | 50.3 | Low | 42.9 | Very low | 5 Ų | 5 | 94.1 Ų | 94.1 | 4% | 0.041 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I596 S607 L612 A613 | I596-A609 HydrophobicContact CD1-CB 3.16Å; I596-A609 HydrophobicContact CG1-CB 3.63Å; S607-A609 PolarHBondContact O-N 3.15Å; A609-L612 PolarHBondContact O-N 3.32Å; A609-A613 WeakPolarHBondContact O-CB 3.38Å; A609-A613 PolarHBondContact O-N 2.95Å |
| 610 | S | 50.2 | Low | 42.4 | Very low | 40 Ų | 40 | 90.2 Ų | 90.2 | 28% | 0.28 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 173 | -65.5 | 0 | 0 | 0 | 0 | 111.6 | S607 W608 L612 A613 E614 | S607-S610 PolarHBondContact O-N 2.82Å; S607-S610 WeakPolarHBondContact OG-CB 2.95Å; S607-S610 PolarHBondContact OG-N 2.95Å; S607-S610 PolarHBondContact OG-OG 3.38Å; W608-S610 PolarHBondContact O-N 3.48Å; S610-L612 VanDerWaalsContact C-N 3.28Å; S610-L612 PolarHBondContact O-N 3.45Å; S610-A613 PolarHBondContact O-N 3.38Å; S610-E614 PolarHBondContact O-N 2.98Å |
| 611 | A | 52.8 | Low | 42.2 | Very low | 22 Ų | 22 | 96.3 Ų | 96.3 | 18% | 0.182 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -64.4 | -33.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S607 W608 G642 | S607-A611 PolarHBondContact O-N 3.34Å; W608-A611 PolarHBondContact O-N 3.36Å; A611-G642 WeakPolarHBondContact O-CA 3.43Å |
| 612 | L | 55.8 | Low | 42.2 | Very low | 4 Ų | 4 | 97.7 Ų | 97.7 | 2% | 0.021 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -77.9 | -21.4 | 176.4 | -72.4 | 170.1 | 0 | 0 | 0 | 113.2 | W608 A609 S610 G642 A645 A646 F689 L695 K698 W700 | W608-L612 HydrophobicContact CB-CD1 4.46Å; W608-L612 WeakPolarHBondContact O-CB 3.32Å; W608-L612 WeakPolarHBondContact O-CD1 3.39Å; W608-L612 WeakPolarHBondContact O-CG 3.02Å; W608-L612 PolarHBondContact O-N 2.86Å; A609-L612 PolarHBondContact O-N 3.32Å; S610-L612 VanDerWaalsContact C-N 3.28Å; S610-L612 PolarHBondContact O-N 3.45Å; L612-G642 WeakPolarHBondContact CD2-O 3.36Å; L612-A645 HydrophobicContact CD2-CB 3.6Å; L612-A645 HydrophobicContact CG-CB 4.05Å; L612-A646 HydrophobicContact CD2-CB 3.87Å; L612-F689 HydrophobicContact CD1-CZ 4.19Å; L612-L695 HydrophobicContact CB-CD2 4.04Å; L612-K698 WeakPolarHBondContact O-CE 3.48Å; L612-W700 HydrophobicContact CB-CH2 3.73Å; L612-W700 HydrophobicContact CB-CZ2 4.15Å; L612-W700 HydrophobicContact CD1-CH2 4.14Å; L612-W700 HydrophobicContact CD1-CZ3 4.33Å; L612-W700 HydrophobicContact CD2-CH2 3.58Å; L612-W700 HydrophobicContact CD2-CZ2 3.71Å; L612-W700 HydrophobicContact CD2-CZ3 4.1Å; L612-W700 HydrophobicContact CG-CH2 4.01Å; L612-W700 HydrophobicContact CG-CZ2 4.47Å |
| 613 | A | 54.8 | Low | 41.7 | Very low | 20 Ų | 20 | 102.9 Ų | 102.9 | 17% | 0.165 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -103.9 | 0.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A609 S610 D615 F692 | A609-A613 WeakPolarHBondContact O-CB 3.38Å; A609-A613 PolarHBondContact O-N 2.95Å; S610-A613 PolarHBondContact O-N 3.38Å; A613-D615 PolarHBondContact O-N 3.48Å; A613-F692 HydrophobicContact CB-CE1 4.3Å |
| 614 | E | 52.2 | Low | 41.3 | Very low | 104 Ų | 104 | 99.4 Ų | 99.4 | 49% | 0.486 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -48.5 | 123.9 | -176.4 | -76.1 | -175.1 | 154.8 | 0 | 0 | 113.2 | S610 S641 | S610-E614 PolarHBondContact O-N 2.98Å; E614-S641 PolarHBondContact OE2-OG 3.15Å |
| 615 | D | 40.8 | Very low | 40.8 | Very low | 142 Ų | 142 | 100.3 Ų | 100.3 | 76% | 0.759 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 121.3 | 173.4 | -95.7 | -37.3 | 0 | 0 | 0 | 109.4 | A613 S617 | A613-D615 PolarHBondContact O-N 3.48Å; D615-S617 PolarHBondContact O-N 3.01Å |
| 616 | P | 38.1 | Very low | 40.1 | Very low | 116 Ų | 116 | 101.3 Ų | 101.3 | 75% | 0.753 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 123.3 | 172.1 | 27.2 | -29.4 | 0 | 0 | 0 | 109.2 | ||
| 617 | S | 32.7 | Very low | 39.2 | Very low | 111 Ų | 111 | 100.6 Ų | 100.6 | 78% | 0.776 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 138 | 171.7 | 57.6 | 0 | 0 | 0 | 0 | 110.8 | D615 K619 | D615-S617 PolarHBondContact O-N 3.01Å; S617-K619 PolarHBondContact O-N 3.17Å |
| 618 | P | 31.8 | Very low | 38.1 | Very low | 124 Ų | 124 | 103.3 Ų | 103.3 | 81% | 0.805 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 117.5 | -166.7 | 30 | -32.5 | 0 | 0 | 0 | 111.4 | ||
| 619 | K | 32.7 | Very low | 36.8 | Very low | 192 Ų | 192 | 108.8 Ų | 108.8 | 84% | 0.835 | 64% | 0.641 | S | S | * | * | trans | -162.9 | 129 | 149.3 | -106.8 | 165.1 | -168.7 | -173.2 | 0 | 112.2 | S617 | S617-K619 PolarHBondContact O-N 3.17Š| ||
| 620 | D | 31 | Very low | 35.7 | Very low | 149 Ų | 149 | 114.5 Ų | 114.5 | 80% | 0.797 | 68% | 0.676 | S | S | * | * | trans | 72.6 | 100.1 | 160.6 | -59.5 | -29.6 | 0 | 0 | 0 | 119.9 | ||||
| 621 | H | 28.6 | Very low | 34.6 | Very low | 184 Ų | 184 | 118.5 Ų | 118.5 | 85% | 0.852 | 70% | 0.698 | S | S | * | * | trans | -48.2 | 125.6 | 165.3 | -55.5 | -76.2 | 0 | 0 | 0 | 112.8 | ||||
| 622 | T | 30.6 | Very low | 33.5 | Very low | 144 Ų | 144 | 122.8 Ų | 122.8 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | trans | -169.3 | 143.5 | 134 | 28.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 623 | R | 25.3 | Very low | 32.1 | Very low | 232 Ų | 232 | 132.1 Ų | 132.1 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 128.3 | -158.3 | -170.5 | -173.4 | -160.1 | -178.3 | 5.1 | 112 | ||
| 624 | P | 28 | Very low | 30.8 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 128.5 | 165.5 | -2.2 | 22 | 0 | 0 | 0 | 111.3 | ||
| 625 | V | 30.2 | Very low | 29.7 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 144.6 | 171.3 | 169.3 | 0 | 0 | 0 | 0 | 108.6 | ||
| 626 | S | 26.4 | Very low | 29.2 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -55.3 | 161.5 | -179.5 | -57.5 | 0 | 0 | 0 | 0 | 116.1 | ||
| 627 | A | 27.1 | Very low | 28.9 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | 102.1 | 134 | 168 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 628 | G | 26.2 | Very low | 29 | Very low | 77 Ų | 77 | 143.7 Ų | 143.7 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | -165.5 | 76.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 629 | T | 28 | Very low | 29.4 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | trans | -77.4 | 117.3 | 143.8 | 22.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 630 | V | 27.4 | Very low | 30.3 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | 44.8 | 117.9 | 144.8 | -149.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 631 | V | 26.4 | Very low | 31.4 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | 157.5 | 139.3 | 113 | 167.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 632 | S | 28.7 | Very low | 33 | Very low | 113 Ų | 113 | 126 Ų | 126 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | 91.5 | 119.4 | 158.7 | 61.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 633 | K | 27.5 | Very low | 34.7 | Very low | 199 Ų | 199 | 124 Ų | 124 | 87% | 0.865 | 74% | 0.74 | S | S | * | * | trans | -56.1 | 131.9 | 169.8 | -70.9 | 169.9 | 167.3 | 175.3 | 0 | 111.3 | ||||
| 634 | E | 27.8 | Very low | 36.5 | Very low | 178 Ų | 178 | 115.4 Ų | 115.4 | 83% | 0.832 | 71% | 0.709 | S | S | * | * | 162.5 | 128.8 | 118.7 | -89.1 | 176.7 | -176.9 | 0 | 0 | 110.9 | |||||
| 635 | S | 28.4 | Very low | 38.2 | Very low | 115 Ų | 115 | 109.6 Ų | 109.6 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | trans | 63.2 | 104.3 | 157.6 | 63.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 636 | S | 30.9 | Very low | 40.2 | Very low | 123 Ų | 123 | 103.5 Ų | 103.5 | 86% | 0.86 | 64% | 0.635 | S | S | * | * | 167.5 | 125.4 | 117.5 | 45.5 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 637 | D | 31.1 | Very low | 42.4 | Very low | 164 Ų | 164 | 100.3 Ų | 100.3 | 88% | 0.877 | 62% | 0.616 | S | S | * | * | trans | -104.6 | 23.7 | -150.3 | -112.2 | -22.8 | 0 | 0 | 0 | 115.1 | ||||
| 638 | D | 34.1 | Very low | 44.4 | Very low | 157 Ų | 157 | 97 Ų | 97 | 84% | 0.84 | 58% | 0.58 | S | S | * | * | trans | -120.1 | 34.2 | -157.2 | -77.7 | -32.3 | 0 | 0 | 0 | 118.5 | ||||
| 639 | V | 40.7 | Very low | 47 | Very low | 134 Ų | 134 | 93.3 Ų | 93.3 | 81% | 0.812 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -130.4 | -1.7 | -175.8 | -172.8 | 0 | 0 | 0 | 0 | 118.3 | ||
| 640 | V | 52.7 | Low | 49.7 | Very low | 67 Ų | 67 | 91.2 Ų | 91.2 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | trans | -122.6 | 37.7 | -153.9 | -149.6 | 0 | 0 | 0 | 0 | 117.6 | L643 E644 | V640-L643 HydrophobicContact CG1-CB 3.88Å; V640-L643 HydrophobicContact CG1-CD2 4.09Å; V640-L643 HydrophobicContact CG1-CG 4.45Å; V640-E644 HydrophobicContact CB-CG 4.48Å; V640-E644 HydrophobicContact CG1-CG 3.89Å; V640-E644 VanDerWaalsContact O-CB 3.3Å; V640-E644 WeakPolarHBondContact O-CB 3.32Å; V640-E644 WeakPolarHBondContact O-CG 3.44Å | ||
| 641 | S | 54 | Low | 52.1 | Low | 62 Ų | 62 | 86 Ų | 86 | 43% | 0.434 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77.2 | -54.8 | 173.7 | 61.9 | 0 | 0 | 0 | 0 | 113 | E614 E644 A645 | E614-S641 PolarHBondContact OE2-OG 3.15Å; S641-E644 PolarHBondContact O-N 2.87Å; S641-A645 PolarHBondContact O-N 3.13Å; S641-A645 VanDerWaalsContact O-N 3.08Å |
| 642 | G | 62.1 | Low | 54.7 | Low | 13 Ų | 13 | 81 Ų | 81 | 13% | 0.134 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -69.8 | -34 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A611 L612 A646 | A611-G642 WeakPolarHBondContact O-CA 3.43Å; L612-G642 WeakPolarHBondContact CD2-O 3.36Å; G642-A646 WeakPolarHBondContact O-CB 3.37Å; G642-A646 PolarHBondContact O-N 3.41Å |
| 643 | L | 66 | Low | 57.5 | Low | 104 Ų | 104 | 75.6 Ų | 75.6 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70 | -36.9 | 176.3 | -171.1 | 72.1 | 0 | 0 | 0 | 111.6 | V640 A646 A647 | V640-L643 HydrophobicContact CG1-CB 3.88Å; V640-L643 HydrophobicContact CG1-CD2 4.09Å; V640-L643 HydrophobicContact CG1-CG 4.45Å; L643-A646 PolarHBondContact O-N 3.12Å; L643-A647 WeakPolarHBondContact O-CB 3.41Å; L643-A647 PolarHBondContact O-N 2.99Å |
| 644 | E | 62.2 | Low | 60.1 | Low | 50 Ų | 50 | 72.7 Ų | 72.7 | 23% | 0.234 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 173.7 | -83.2 | 173.8 | -153.4 | 0 | 0 | 111.1 | R531 V640 S641 A646 A647 Y648 | R531-E644 IonicContact CZ-OE1 3.62Å; R531-E644 IonicContact CZ-OE2 3.4Å; R531-E644 IonicContact NE-OE1 3.82Å; R531-E644 IonicContact NE-OE2 2.98Å; R531-E644 PolarHBondContact NE-OE2 3.49Å; R531-E644 VanDerWaalsContact NH2-CD 3.28Å; R531-E644 IonicContact NH2-OE1 2.65Å; R531-E644 PolarHBondContact NH2-OE1 2.97Å; R531-E644 IonicContact NH2-OE2 3.15Å; R531-E644 PolarHBondContact NH2-OE2 3.26Å; R531-E644 VanDerWaalsContact NH2-OE2 3.15Å; V640-E644 HydrophobicContact CB-CG 4.48Å; V640-E644 HydrophobicContact CG1-CG 3.89Å; V640-E644 VanDerWaalsContact O-CB 3.3Å; V640-E644 WeakPolarHBondContact O-CB 3.32Å; V640-E644 WeakPolarHBondContact O-CG 3.44Å; S641-E644 PolarHBondContact O-N 2.87Å; E644-A646 VanDerWaalsContact C-N 3.34Å; E644-A646 PolarHBondContact O-N 3.17Å; E644-A647 PolarHBondContact O-N 3.3Å; E644-Y648 HydrophobicContact CB-CE2 3.97Å; E644-Y648 WeakPolarHBondContact O-CD2 3.36Å; E644-Y648 WeakPolarHBondContact O-CE2 3.36Å; E644-Y648 PolarHBondContact O-N 3.15Å |
| 645 | A | 64.3 | Low | 62.7 | Low | 4 Ų | 4 | 64.2 Ų | 64.2 | 3% | 0.033 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -54.3 | -51.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | W608 L612 S641 A647 Y648 L649 | W608-A645 HydrophobicContact CE3-CB 4.42Å; W608-A645 WeakPolarHBondContact CZ3-O 3.48Å; L612-A645 HydrophobicContact CD2-CB 3.6Å; L612-A645 HydrophobicContact CG-CB 4.05Å; S641-A645 PolarHBondContact O-N 3.13Å; S641-A645 VanDerWaalsContact O-N 3.08Å; A645-A647 VanDerWaalsContact C-N 3.32Å; A645-A647 PolarHBondContact O-N 2.59Å; A645-Y648 WeakPolarHBondContact O-CB 3.24Å; A645-Y648 PolarHBondContact O-N 3.5Å; A645-L649 PolarHBondContact O-N 2.83Å; A645-L649 VanDerWaalsContact O-N 3.11Å |
| 646 | A | 73.1 | Confident | 65.5 | Low | 2 Ų | 2 | 58.8 Ų | 58.8 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.3 | -44.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L612 G642 L643 E644 Y648 L649 R650 W700 I704 | L612-A646 HydrophobicContact CD2-CB 3.87Å; G642-A646 WeakPolarHBondContact O-CB 3.37Å; G642-A646 PolarHBondContact O-N 3.41Å; L643-A646 PolarHBondContact O-N 3.12Å; E644-A646 VanDerWaalsContact C-N 3.34Å; E644-A646 PolarHBondContact O-N 3.17Å; A646-Y648 VanDerWaalsContact C-N 3.32Å; A646-Y648 PolarHBondContact O-N 2.76Å; A646-L649 PolarHBondContact O-N 2.75Å; A646-R650 VanDerWaalsContact O-CG 3.31Å; A646-R650 WeakPolarHBondContact O-CG 3.25Å; A646-R650 PolarHBondContact O-N 2.95Å; A646-W700 HydrophobicContact CB-CB 4.35Å; A646-W700 HydrophobicContact CB-CD2 3.54Å; A646-W700 HydrophobicContact CB-CE3 3.96Å; A646-W700 HydrophobicContact CB-CG 3.7Å; A646-W700 HydrophobicContact CB-CZ2 4.45Å; A646-I704 HydrophobicContact CB-CD1 3.97Å |
| 647 | A | 71.6 | Confident | 68.1 | Low | 48 Ų | 48 | 53.9 Ų | 53.9 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L643 E644 A645 L649 R650 T651 | L643-A647 WeakPolarHBondContact O-CB 3.41Å; L643-A647 PolarHBondContact O-N 2.99Å; E644-A647 PolarHBondContact O-N 3.3Å; A645-A647 VanDerWaalsContact C-N 3.32Å; A645-A647 PolarHBondContact O-N 2.59Å; A647-L649 PolarHBondContact O-N 2.83Å; A647-R650 PolarHBondContact O-N 3.43Å; A647-T651 PolarHBondContact O-N 2.79Å; A647-T651 PolarHBondContact O-OG1 3.25Å |
| 648 | Y | 70.1 | Confident | 70.6 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 15% | 0.153 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -38.8 | 177.7 | -61 | -37.6 | 0 | 0 | 0 | 113.4 | L530 R531 A534 W608 E644 A645 A646 R650 T651 L652 | L530-Y648 HydrophobicContact CB-CD2 4.1Å; L530-Y648 HydrophobicContact CB-CE2 4.01Å; L530-Y648 HydrophobicContact CD2-CD2 4.36Å; R531-Y648 WeakPolarHBondContact CG-OH 3.45Å; A534-Y648 HydrophobicContact CB-CD1 3.06Å; A534-Y648 HydrophobicContact CB-CE1 2.98Å; A534-Y648 HydrophobicContact CB-CE2 4.5Å; A534-Y648 HydrophobicContact CB-CG 3.92Å; W608-Y648 VanDerWaalsContact CH2-CB 3.47Å; E644-Y648 HydrophobicContact CB-CE2 3.97Å; E644-Y648 WeakPolarHBondContact O-CD2 3.36Å; E644-Y648 WeakPolarHBondContact O-CE2 3.36Å; E644-Y648 PolarHBondContact O-N 3.15Å; A645-Y648 WeakPolarHBondContact O-CB 3.24Å; A645-Y648 PolarHBondContact O-N 3.5Å; A646-Y648 VanDerWaalsContact C-N 3.32Å; A646-Y648 PolarHBondContact O-N 2.76Å; Y648-R650 VanDerWaalsContact C-N 3.29Å; Y648-R650 PolarHBondContact O-N 3.43Å; Y648-T651 PolarHBondContact O-N 2.86Å; Y648-L652 WeakPolarHBondContact O-CB 3.35Å; Y648-L652 PolarHBondContact O-N 3.14Å |
| 649 | L | 79.2 | Confident | 72.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 178.1 | -170.5 | 50.6 | 0 | 0 | 0 | 109.8 | A593 W608 A645 A646 A647 L652 L653 L685 F689 I704 | A593-L649 HydrophobicContact CB-CD1 4.48Å; W608-L649 HydrophobicContact CE3-CB 4.04Å; W608-L649 HydrophobicContact CH2-CB 4.14Å; W608-L649 HydrophobicContact CZ3-CB 3.42Å; W608-L649 VanDerWaalsContact CZ3-CB 3.42Å; W608-L649 HydrophobicContact CZ3-CD1 4.34Å; W608-L649 HydrophobicContact CZ3-CG 4.35Å; W608-L649 VanDerWaalsContact CZ3-N 3.27Å; A645-L649 PolarHBondContact O-N 2.83Å; A645-L649 VanDerWaalsContact O-N 3.11Å; A646-L649 PolarHBondContact O-N 2.75Å; A647-L649 PolarHBondContact O-N 2.83Å; L649-L652 HydrophobicContact CD1-CD2 4.19Å; L649-L652 WeakPolarHBondContact O-CB 3.35Å; L649-L652 PolarHBondContact O-N 2.94Å; L649-L653 HydrophobicContact CD1-CD1 4.44Å; L649-L653 HydrophobicContact CD1-CG 4.36Å; L649-L653 HydrophobicContact CG-CD1 3.97Å; L649-L653 HydrophobicContact CG-CG 4.36Å; L649-L653 WeakPolarHBondContact O-CB 3.33Å; L649-L653 VanDerWaalsContact O-CG 3.29Å; L649-L653 WeakPolarHBondContact O-CG 3.19Å; L649-L653 PolarHBondContact O-N 2.84Å; L649-L685 HydrophobicContact CD1-CD2 4.06Å; L649-L685 HydrophobicContact CD2-CD1 4.46Å; L649-L685 HydrophobicContact CD2-CD2 4.32Å; L649-F689 HydrophobicContact CD2-CE2 3.92Å; L649-F689 HydrophobicContact CD2-CZ 3.65Å; L649-I704 HydrophobicContact CD2-CD1 4.33Å; L649-I704 HydrophobicContact CD2-CG2 3.73Å; L649-I704 HydrophobicContact CG-CG2 4.36Å |
| 650 | R | 84.7 | Confident | 75 | Confident | 95 Ų | 95 | 34.4 Ų | 34.4 | 36% | 0.358 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 178.8 | -65.5 | -177 | 66.3 | -171.1 | -4.7 | 111.9 | A646 A647 Y648 L652 L653 R654 I704 D707 | A646-R650 VanDerWaalsContact O-CG 3.31Å; A646-R650 WeakPolarHBondContact O-CG 3.25Å; A646-R650 PolarHBondContact O-N 2.95Å; A647-R650 PolarHBondContact O-N 3.43Å; Y648-R650 VanDerWaalsContact C-N 3.29Å; Y648-R650 PolarHBondContact O-N 3.43Å; R650-L652 VanDerWaalsContact C-N 3.33Å; R650-L652 PolarHBondContact O-N 2.97Å; R650-L653 PolarHBondContact O-N 2.83Å; R650-R654 WeakPolarHBondContact O-CB 3.34Å; R650-R654 PolarHBondContact O-N 2.72Å; R650-I704 HydrophobicContact CG-CG1 3.91Å; R650-D707 VanDerWaalsContact CG-OD2 3.26Å; R650-D707 WeakPolarHBondContact CG-OD2 3.42Å; R650-D707 IonicContact CZ-OD2 2.85Å; R650-D707 IonicContact NE-OD2 3.26Å; R650-D707 PolarHBondContact NE-OD2 3.3Å; R650-D707 IonicContact NH2-OD2 2.8Å |
| 651 | T | 78.1 | Confident | 76.4 | Confident | 17 Ų | 17 | 34.9 Ų | 34.9 | 10% | 0.104 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 174.3 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | E538 A647 Y648 R654 L655 | E538-T651 HydrophobicContact CG-CG2 3.77Å; A647-T651 PolarHBondContact O-N 2.79Å; A647-T651 PolarHBondContact O-OG1 3.25Å; Y648-T651 PolarHBondContact O-N 2.86Å; T651-R654 PolarHBondContact O-N 3.4Å; T651-L655 WeakPolarHBondContact O-CB 3.47Å; T651-L655 PolarHBondContact O-N 3.45Å |
| 652 | L | 81.5 | Confident | 77.6 | Confident | 16 Ų | 16 | 33.4 Ų | 33.4 | 8% | 0.084 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.3 | -47.3 | 176.4 | -168 | 92.4 | 0 | 0 | 0 | 112 | L586 R589 L590 Y648 L649 R650 L655 V656 | L586-L652 HydrophobicContact CD1-CD1 3.64Å; L586-L652 HydrophobicContact CD1-CD2 4.5Å; L586-L652 HydrophobicContact CD1-CG 4.02Å; R589-L652 HydrophobicContact CB-CD1 4.48Å; L590-L652 HydrophobicContact CD2-CD2 3.37Å; L590-L652 HydrophobicContact CD2-CG 4.46Å; L590-L652 HydrophobicContact CG-CD2 3.86Å; Y648-L652 WeakPolarHBondContact O-CB 3.35Å; Y648-L652 PolarHBondContact O-N 3.14Å; L649-L652 HydrophobicContact CD1-CD2 4.19Å; L649-L652 WeakPolarHBondContact O-CB 3.35Å; L649-L652 PolarHBondContact O-N 2.94Å; R650-L652 VanDerWaalsContact C-N 3.33Å; R650-L652 PolarHBondContact O-N 2.97Å; L652-L655 PolarHBondContact O-N 3.29Å; L652-V656 WeakPolarHBondContact O-CB 3.35Å; L652-V656 WeakPolarHBondContact O-CG2 3.36Å; L652-V656 PolarHBondContact O-N 3.25Å |
| 653 | L | 87.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.9 | -38 | 178.7 | -70 | 170 | 0 | 0 | 0 | 112 | L649 R650 V656 T657 L682 L685 I704 D707 I708 A711 | L649-L653 HydrophobicContact CD1-CD1 4.44Å; L649-L653 HydrophobicContact CD1-CG 4.36Å; L649-L653 HydrophobicContact CG-CD1 3.97Å; L649-L653 HydrophobicContact CG-CG 4.36Å; L649-L653 WeakPolarHBondContact O-CB 3.33Å; L649-L653 VanDerWaalsContact O-CG 3.29Å; L649-L653 WeakPolarHBondContact O-CG 3.19Å; L649-L653 PolarHBondContact O-N 2.84Å; R650-L653 PolarHBondContact O-N 2.83Å; L653-V656 PolarHBondContact O-N 2.59Å; L653-T657 WeakPolarHBondContact O-CB 3.49Å; L653-T657 PolarHBondContact O-N 2.81Å; L653-T657 PolarHBondContact O-OG1 3.36Å; L653-L682 HydrophobicContact CD2-CD2 3.52Å; L653-L685 HydrophobicContact CD2-CD2 4.29Å; L653-I704 HydrophobicContact CD1-CG2 4.35Å; L653-D707 HydrophobicContact CB-CB 4.28Å; L653-D707 HydrophobicContact CD1-CB 3.88Å; L653-I708 HydrophobicContact CD1-CG1 3.54Å; L653-I708 HydrophobicContact CD2-CG1 4.06Å; L653-I708 HydrophobicContact CG-CG1 4.48Å; L653-A711 HydrophobicContact CD2-CB 4.47Å |
| 654 | R | 83.2 | Confident | 78.9 | Confident | 138 Ų | 138 | 35.5 Ų | 35.5 | 52% | 0.521 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.5 | -44.6 | 174.1 | -174.6 | 169 | 65.5 | 175.6 | 2.4 | 111.8 | R650 T651 V656 T657 N658 | R650-R654 WeakPolarHBondContact O-CB 3.34Å; R650-R654 PolarHBondContact O-N 2.72Å; T651-R654 PolarHBondContact O-N 3.4Å; R654-V656 PolarHBondContact O-N 2.93Å; R654-T657 WeakPolarHBondContact O-CB 3.41Å; R654-T657 PolarHBondContact O-N 3.48Å; R654-N658 PolarHBondContact O-N 3.49Å |
| 655 | L | 81.8 | Confident | 79.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -46.6 | 175.3 | 178.4 | 71.1 | 0 | 0 | 0 | 111.5 | W537 A541 T544 F582 T651 L652 T657 N658 L659 | W537-L655 HydrophobicContact CD2-CD2 4.43Å; W537-L655 HydrophobicContact CE3-CD2 3.22Å; W537-L655 HydrophobicContact CZ3-CD2 3.48Å; W537-L655 VanDerWaalsContact CZ3-CD2 3.48Å; A541-L655 HydrophobicContact CB-CD1 4.06Å; T544-L655 HydrophobicContact CG2-CD1 3.72Å; F582-L655 HydrophobicContact CZ-CD2 4.07Å; T651-L655 WeakPolarHBondContact O-CB 3.47Å; T651-L655 PolarHBondContact O-N 3.45Å; L652-L655 PolarHBondContact O-N 3.29Å; L655-T657 VanDerWaalsContact C-N 3.31Å; L655-T657 PolarHBondContact O-N 3.28Å; L655-N658 PolarHBondContact O-N 2.63Å; L655-L659 HydrophobicContact CD1-CD1 4.25Å; L655-L659 HydrophobicContact CD1-CG 4.24Å; L655-L659 HydrophobicContact CD2-CD1 4.49Å; L655-L659 HydrophobicContact CG-CD1 3.94Å; L655-L659 HydrophobicContact CG-CG 4.3Å; L655-L659 WeakPolarHBondContact O-CB 3.49Å; L655-L659 VanDerWaalsContact O-CG 3.28Å; L655-L659 WeakPolarHBondContact O-CG 3.15Å; L655-L659 PolarHBondContact O-N 2.96Å |
| 656 | V | 86.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.1 | -46.6 | 175 | 157.7 | 0 | 0 | 0 | 0 | 111.5 | L586 L590 L652 L653 R654 L659 I660 L678 L682 A711 | L586-V656 HydrophobicContact CD1-CG2 4.15Å; L586-V656 HydrophobicContact CD2-CG2 4.07Å; L590-V656 HydrophobicContact CD1-CG2 4.46Å; L652-V656 WeakPolarHBondContact O-CB 3.35Å; L652-V656 WeakPolarHBondContact O-CG2 3.36Å; L652-V656 PolarHBondContact O-N 3.25Å; L653-V656 PolarHBondContact O-N 2.59Å; R654-V656 PolarHBondContact O-N 2.93Å; V656-L659 PolarHBondContact O-N 3.4Å; V656-I660 HydrophobicContact CG1-CD1 3.97Å; V656-I660 WeakPolarHBondContact O-CG1 3.39Å; V656-I660 PolarHBondContact O-N 2.96Å; V656-L678 HydrophobicContact CG1-CD1 3.7Å; V656-L678 HydrophobicContact CG1-CD2 4.05Å; V656-L678 HydrophobicContact CG1-CG 4.24Å; V656-L678 HydrophobicContact CG2-CD1 3.97Å; V656-L682 HydrophobicContact CG1-CD1 4.32Å; V656-A711 HydrophobicContact CG1-CB 4.24Å |
| 657 | T | 87.1 | Confident | 81.1 | Confident | 20 Ų | 20 | 40.6 Ų | 40.6 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.4 | -46.4 | 178.4 | -57.8 | 0 | 0 | 0 | 0 | 111 | L653 R654 L655 T661 I710 A711 A714 | L653-T657 WeakPolarHBondContact O-CB 3.49Å; L653-T657 PolarHBondContact O-N 2.81Å; L653-T657 PolarHBondContact O-OG1 3.36Å; R654-T657 WeakPolarHBondContact O-CB 3.41Å; R654-T657 PolarHBondContact O-N 3.48Å; L655-T657 VanDerWaalsContact C-N 3.31Å; L655-T657 PolarHBondContact O-N 3.28Å; T657-T661 WeakPolarHBondContact O-CB 2.8Å; T657-T661 VanDerWaalsContact O-CG2 3.29Å; T657-T661 WeakPolarHBondContact O-CG2 3.15Å; T657-T661 PolarHBondContact O-N 2.83Å; T657-T661 PolarHBondContact O-OG1 3.34Å; T657-I710 HydrophobicContact CG2-CG2 3.91Å; T657-A711 WeakPolarHBondContact OG1-CA 3.32Å; T657-A714 HydrophobicContact CG2-CB 3.9Å |
| 658 | N | 82.6 | Confident | 81.7 | Confident | 46 Ų | 46 | 39.9 Ų | 39.9 | 25% | 0.246 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | 178.9 | -72 | 1 | 0 | 0 | 0 | 112.1 | R654 L655 T661 V662 | R654-N658 PolarHBondContact O-N 3.49Å; L655-N658 PolarHBondContact O-N 2.63Å; N658-T661 PolarHBondContact O-OG1 3.28Å; N658-V662 WeakPolarHBondContact O-CG2 3.37Å |
| 659 | L | 83.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67 | -47.4 | 179.7 | -72.5 | 175.8 | 0 | 0 | 0 | 112.6 | T544 A573 L576 L577 F582 L655 V656 T661 V662 F672 | T544-L659 HydrophobicContact CG2-CD2 3.77Å; T544-L659 HydrophobicContact CG2-CG 4.45Å; A573-L659 HydrophobicContact CB-CD2 3.79Å; L576-L659 HydrophobicContact CB-CD2 4.02Å; L576-L659 HydrophobicContact CD1-CD2 4.17Å; L577-L659 HydrophobicContact CD2-CB 4.03Å; L577-L659 HydrophobicContact CG-CD2 4.48Å; F582-L659 HydrophobicContact CE1-CD1 3.67Å; F582-L659 HydrophobicContact CZ-CD1 3.81Å; L655-L659 HydrophobicContact CD1-CD1 4.25Å; L655-L659 HydrophobicContact CD1-CG 4.24Å; L655-L659 HydrophobicContact CD2-CD1 4.49Å; L655-L659 HydrophobicContact CG-CD1 3.94Å; L655-L659 HydrophobicContact CG-CG 4.3Å; L655-L659 WeakPolarHBondContact O-CB 3.49Å; L655-L659 VanDerWaalsContact O-CG 3.28Å; L655-L659 WeakPolarHBondContact O-CG 3.15Å; L655-L659 PolarHBondContact O-N 2.96Å; V656-L659 PolarHBondContact O-N 3.4Å; L659-T661 VanDerWaalsContact C-N 3.29Å; L659-T661 PolarHBondContact O-N 3.24Å; L659-V662 WeakPolarHBondContact O-CG2 3.49Å; L659-V662 PolarHBondContact O-N 3.42Å; L659-F672 HydrophobicContact CD1-CZ 4.11Å |
| 660 | I | 84.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.2 | -26.7 | -177.2 | -62 | 168.2 | 0 | 0 | 0 | 112.4 | V656 V662 I669 L678 | V656-I660 HydrophobicContact CG1-CD1 3.97Å; V656-I660 WeakPolarHBondContact O-CG1 3.39Å; V656-I660 PolarHBondContact O-N 2.96Å; I660-V662 VanDerWaalsContact C-N 3.28Å; I660-V662 PolarHBondContact O-N 2.91Å; I660-I669 HydrophobicContact CG2-CG2 4.38Å; I660-L678 HydrophobicContact CD1-CD2 3.23Å; I660-L678 HydrophobicContact CD1-CG 3.99Å; I660-L678 HydrophobicContact CG1-CD2 3.68Å |
| 661 | T | 81.9 | Confident | 82.8 | Confident | 77 Ų | 77 | 40 Ų | 40 | 47% | 0.472 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -3.7 | -179.1 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | T657 N658 L659 K663 A714 | T657-T661 WeakPolarHBondContact O-CB 2.8Å; T657-T661 VanDerWaalsContact O-CG2 3.29Å; T657-T661 WeakPolarHBondContact O-CG2 3.15Å; T657-T661 PolarHBondContact O-N 2.83Å; T657-T661 PolarHBondContact O-OG1 3.34Å; N658-T661 PolarHBondContact O-OG1 3.28Å; L659-T661 VanDerWaalsContact C-N 3.29Å; L659-T661 PolarHBondContact O-N 3.24Å; T661-K663 PolarHBondContact O-N 3.12Å; T661-A714 HydrophobicContact CG2-CB 3.62Å |
| 662 | V | 79.1 | Confident | 83.2 | Confident | 31 Ų | 31 | 39.3 Ų | 39.3 | 19% | 0.188 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -65.5 | 124.7 | 174.8 | -180 | 0 | 0 | 0 | 0 | 110.6 | A573 L577 N658 L659 I660 C664 | A573-V662 HydrophobicContact CB-CG2 3.7Å; L577-V662 HydrophobicContact CD1-CB 4.27Å; N658-V662 WeakPolarHBondContact O-CG2 3.37Å; L659-V662 WeakPolarHBondContact O-CG2 3.49Å; L659-V662 PolarHBondContact O-N 3.42Å; I660-V662 VanDerWaalsContact C-N 3.28Å; I660-V662 PolarHBondContact O-N 2.91Å; V662-C664 PolarHBondContact O-N 3.46Å; V662-C664 VanDerWaalsContact O-N 3.14Å; V662-C664 PolarHBondContact O-SG 3.49Å |
| 663 | K | 77.5 | Confident | 83.5 | Confident | 144 Ų | 144 | 39.3 Ų | 39.3 | 63% | 0.626 | 20% | 0.202 | S | C | * | . | trans | -67 | 110.5 | 171.6 | -67.1 | -170.8 | 177 | -177.4 | 0 | 110.1 | T661 | T661-K663 PolarHBondContact O-N 3.12Š| ||
| 664 | C | 77 | Confident | 83.4 | Confident | 18 Ų | 18 | 45.4 Ų | 45.4 | 12% | 0.122 | 23% | 0.23 | C | C | . | . | trans | -148.9 | -177.4 | 177.9 | 60.5 | 0 | 0 | 0 | 0 | 111 | L574 V662 V666 I668 I669 | L574-C664 HydrophobicContact CD1-CB 3.37Å; V662-C664 PolarHBondContact O-N 3.46Å; V662-C664 VanDerWaalsContact O-N 3.14Å; V662-C664 PolarHBondContact O-SG 3.49Å; C664-V666 PolarHBondContact O-N 3.14Å; C664-I668 HydrophobicContact CB-CD1 4.45Å; C664-I669 WeakPolarHBondContact SG-CG1 3.35Å | ||
| 665 | D | 79.4 | Confident | 83.4 | Confident | 80 Ų | 80 | 41.1 Ų | 41.1 | 43% | 0.428 | 22% | 0.22 | S | C | . | . | trans | -63.3 | 134 | 172.4 | -165.7 | -63.2 | 0 | 0 | 0 | 109.9 | S667 I668 | D665-S667 VanDerWaalsContact CG-OG 3.28Å; D665-S667 PolarHBondContact O-N 3.36Å; D665-S667 VanDerWaalsContact O-N 3.12Å; D665-S667 WeakPolarHBondContact OD1-CB 3.4Å; D665-S667 PolarHBondContact OD1-N 2.77Å; D665-S667 PolarHBondContact OD1-OG 3.45Å; D665-I668 HydrophobicContact CB-CD1 4.2Å; D665-I668 HydrophobicContact CB-CG1 4.33Å; D665-I668 WeakPolarHBondContact O-CB 3.31Å; D665-I668 PolarHBondContact O-N 3.34Å | ||
| 666 | V | 82 | Confident | 83.4 | Confident | 12 Ų | 12 | 41.1 Ų | 41.1 | 7% | 0.073 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54.1 | -35.1 | -179.4 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | C664 I668 I669 V670 E719 I720 R723 I726 | C664-V666 PolarHBondContact O-N 3.14Å; V666-I668 PolarHBondContact O-N 2.87Å; V666-I669 PolarHBondContact O-N 3.41Å; V666-V670 HydrophobicContact CG1-CG2 3.84Å; V666-V670 WeakPolarHBondContact O-CB 3.31Å; V666-V670 VanDerWaalsContact O-CG2 3.28Å; V666-V670 WeakPolarHBondContact O-CG2 3.31Å; V666-V670 PolarHBondContact O-N 3.14Å; V666-E719 HydrophobicContact CG2-CB 3.8Å; V666-I720 HydrophobicContact CG1-CG1 4.14Å; V666-R723 HydrophobicContact CG2-CB 4.02Å; V666-R723 HydrophobicContact CG2-CG 3.58Å; V666-I726 HydrophobicContact CG1-CD1 4.19Å; V666-I726 HydrophobicContact CG1-CG1 4.23Å; V666-I726 HydrophobicContact CG1-CG2 4.45Å |
| 667 | S | 84.2 | Confident | 83.4 | Confident | 70 Ų | 70 | 45.9 Ų | 45.9 | 49% | 0.49 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.3 | -34.1 | 178.1 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | D665 Q671 | D665-S667 VanDerWaalsContact CG-OG 3.28Å; D665-S667 PolarHBondContact O-N 3.36Å; D665-S667 VanDerWaalsContact O-N 3.12Å; D665-S667 WeakPolarHBondContact OD1-CB 3.4Å; D665-S667 PolarHBondContact OD1-N 2.77Å; D665-S667 PolarHBondContact OD1-OG 3.45Å; S667-Q671 WeakPolarHBondContact O-CB 3.43Å; S667-Q671 PolarHBondContact O-N 3.34Å |
| 668 | I | 85.1 | Confident | 83.5 | Confident | 34 Ų | 34 | 44.9 Ų | 44.9 | 17% | 0.174 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.8 | -45.7 | 178.9 | -61.5 | 172.5 | 0 | 0 | 0 | 110.4 | L574 L577 C664 D665 V666 Q671 F672 | L574-I668 HydrophobicContact CD1-CD1 3.8Å; L574-I668 HydrophobicContact CD1-CG2 4.33Å; L577-I668 HydrophobicContact CB-CG2 3.8Å; L577-I668 HydrophobicContact CD1-CG2 4.47Å; C664-I668 HydrophobicContact CB-CD1 4.45Å; D665-I668 HydrophobicContact CB-CD1 4.2Å; D665-I668 HydrophobicContact CB-CG1 4.33Å; D665-I668 WeakPolarHBondContact O-CB 3.31Å; D665-I668 PolarHBondContact O-N 3.34Å; V666-I668 PolarHBondContact O-N 2.87Å; I668-Q671 PolarHBondContact O-N 3.08Å; I668-F672 WeakPolarHBondContact O-CB 3.36Å; I668-F672 PolarHBondContact O-N 3.25Å |
| 669 | I | 84.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.3 | -39.4 | 177.9 | -51.1 | -174 | 0 | 0 | 0 | 110.5 | I660 C664 V666 F672 C673 E719 I720 | I660-I669 HydrophobicContact CG2-CG2 4.38Å; C664-I669 WeakPolarHBondContact SG-CG1 3.35Å; V666-I669 PolarHBondContact O-N 3.41Å; I669-F672 PolarHBondContact O-N 3.5Å; I669-C673 WeakPolarHBondContact O-CB 3.4Å; I669-C673 PolarHBondContact O-N 2.89Å; I669-C673 PolarHBondContact O-SG 3.2Å; I669-C673 VanDerWaalsContact O-SG 3.33Å; I669-E719 HydrophobicContact CD1-CB 3.94Å; I669-E719 HydrophobicContact CD1-CG 4.29Å; I669-I720 HydrophobicContact CB-CD1 4.19Å; I669-I720 HydrophobicContact CB-CG1 4.32Å; I669-I720 HydrophobicContact CG2-CD1 3.65Å; I669-I720 HydrophobicContact CG2-CG1 4.11Å |
| 670 | V | 85.5 | Confident | 84 | Confident | 17 Ų | 17 | 45.2 Ų | 45.2 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -52.6 | 175.8 | 169.3 | 0 | 0 | 0 | 0 | 110.3 | V666 F672 C673 E674 I720 V730 | V666-V670 HydrophobicContact CG1-CG2 3.84Å; V666-V670 WeakPolarHBondContact O-CB 3.31Å; V666-V670 VanDerWaalsContact O-CG2 3.28Å; V666-V670 WeakPolarHBondContact O-CG2 3.31Å; V666-V670 PolarHBondContact O-N 3.14Å; V670-F672 VanDerWaalsContact C-N 3.29Å; V670-F672 PolarHBondContact O-N 2.81Å; V670-C673 PolarHBondContact O-N 3.29Å; V670-E674 HydrophobicContact CG1-CG 4.34Å; V670-E674 WeakPolarHBondContact O-CB 2.99Å; V670-E674 WeakPolarHBondContact O-CG 3.5Å; V670-E674 PolarHBondContact O-N 2.95Å; V670-I720 HydrophobicContact CG2-CD1 4.03Å; V670-I720 HydrophobicContact CG2-CG1 4.12Å; V670-V730 HydrophobicContact CG1-CG2 3.6Å; V670-V730 HydrophobicContact CG2-CG1 3.68Å; V670-V730 HydrophobicContact CG2-CG2 4.04Å |
| 671 | Q | 85.5 | Confident | 84.1 | Confident | 118 Ų | 118 | 45.7 Ų | 45.7 | 55% | 0.551 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.3 | -40.1 | 178.6 | -173.3 | 177.9 | 5.1 | 0 | 0 | 111.6 | S667 I668 E674 V675 | S667-Q671 WeakPolarHBondContact O-CB 3.43Å; S667-Q671 PolarHBondContact O-N 3.34Å; I668-Q671 PolarHBondContact O-N 3.08Å; Q671-E674 PolarHBondContact O-N 3.03Å; Q671-V675 WeakPolarHBondContact O-CB 2.92Å; Q671-V675 VanDerWaalsContact O-CG2 3.27Å; Q671-V675 WeakPolarHBondContact O-CG2 3.26Å; Q671-V675 PolarHBondContact O-N 3.29Å |
| 672 | F | 87.6 | Confident | 84.6 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 175.2 | -177.6 | -104.6 | 0 | 0 | 0 | 111.7 | L577 F582 L586 L659 I668 I669 V670 E674 V675 T676 L678 | L577-F672 HydrophobicContact CD2-CB 4.1Å; L577-F672 HydrophobicContact CD2-CD1 3.57Å; L577-F672 HydrophobicContact CD2-CD2 3.91Å; L577-F672 HydrophobicContact CD2-CE1 3.83Å; L577-F672 HydrophobicContact CD2-CE2 4.15Å; L577-F672 HydrophobicContact CD2-CG 3.59Å; L577-F672 HydrophobicContact CD2-CZ 4.11Å; L577-F672 WeakPolarHBondContact O-CD2 3.24Å; F582-F672 HydrophobicContact CD1-CE2 4.2Å; F582-F672 HydrophobicContact CE1-CE2 4.12Å; F582-F672 HydrophobicContact CE1-CZ 4.35Å; L586-F672 HydrophobicContact CD2-CE1 4.4Å; L586-F672 HydrophobicContact CD2-CE2 4.4Å; L586-F672 HydrophobicContact CD2-CZ 3.61Å; L659-F672 HydrophobicContact CD1-CZ 4.11Å; I668-F672 WeakPolarHBondContact O-CB 3.36Å; I668-F672 PolarHBondContact O-N 3.25Å; I669-F672 PolarHBondContact O-N 3.5Å; V670-F672 VanDerWaalsContact C-N 3.29Å; V670-F672 PolarHBondContact O-N 2.81Å; F672-E674 VanDerWaalsContact C-N 3.33Å; F672-E674 PolarHBondContact O-N 2.98Å; F672-V675 PolarHBondContact O-N 2.97Å; F672-T676 HydrophobicContact CD1-CG2 4.41Å; F672-T676 HydrophobicContact CD2-CG2 4.15Å; F672-T676 HydrophobicContact CE1-CG2 4.16Å; F672-T676 HydrophobicContact CE2-CG2 3.88Å; F672-T676 HydrophobicContact CG-CG2 4.43Å; F672-T676 HydrophobicContact CZ-CG2 3.9Å; F672-T676 WeakPolarHBondContact O-CB 3.4Å; F672-T676 WeakPolarHBondContact O-CG2 3.47Å; F672-T676 PolarHBondContact O-N 3.45Å; F672-T676 PolarHBondContact O-OG1 3.41Å; F672-L678 HydrophobicContact CD1-CD2 4.23Å; F672-L678 HydrophobicContact CE1-CD2 3.71Å |
| 673 | C | 86.9 | Confident | 85.1 | Confident | 15 Ų | 15 | 41 Ų | 41 | 10% | 0.101 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.8 | -35.9 | 176.2 | -75.3 | 0 | 0 | 0 | 0 | 112.7 | I669 V670 T676 E677 | I669-C673 WeakPolarHBondContact O-CB 3.4Å; I669-C673 PolarHBondContact O-N 2.89Å; I669-C673 PolarHBondContact O-SG 3.2Å; I669-C673 VanDerWaalsContact O-SG 3.33Å; V670-C673 PolarHBondContact O-N 3.29Å; C673-T676 WeakPolarHBondContact CA-OG1 3.49Å; C673-E677 WeakPolarHBondContact O-CA 3.3Å; C673-E677 PolarHBondContact O-N 3.03Å |
| 674 | E | 85.4 | Confident | 85.6 | Confident | 128 Ų | 128 | 38.6 Ų | 38.6 | 60% | 0.598 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -67 | -43.1 | 174.9 | -75.4 | 175.5 | 174.2 | 0 | 0 | 111.7 | V670 Q671 F672 | V670-E674 HydrophobicContact CG1-CG 4.34Å; V670-E674 WeakPolarHBondContact O-CB 2.99Å; V670-E674 WeakPolarHBondContact O-CG 3.5Å; V670-E674 PolarHBondContact O-N 2.95Å; Q671-E674 PolarHBondContact O-N 3.03Å; F672-E674 VanDerWaalsContact C-N 3.33Å; F672-E674 PolarHBondContact O-N 2.98Å |
| 675 | V | 82.9 | Confident | 86.1 | Confident | 49 Ų | 49 | 37.8 Ų | 37.8 | 30% | 0.297 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -70.2 | -34.8 | 177.9 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | Q584 Q671 F672 | Q584-V675 HydrophobicContact CG-CG1 4.01Å; Q671-V675 WeakPolarHBondContact O-CB 2.92Å; Q671-V675 VanDerWaalsContact O-CG2 3.27Å; Q671-V675 WeakPolarHBondContact O-CG2 3.26Å; Q671-V675 PolarHBondContact O-N 3.29Å; F672-V675 PolarHBondContact O-N 2.97Å |
| 676 | T | 83.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -92.7 | -20.3 | -174.4 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | G583 L586 S587 F672 C673 L678 | G583-T676 WeakPolarHBondContact O-CG2 3.35Å; L586-T676 HydrophobicContact CD2-CG2 4.25Å; S587-T676 PolarHBondContact OG-O 3.32Å; F672-T676 HydrophobicContact CD1-CG2 4.41Å; F672-T676 HydrophobicContact CD2-CG2 4.15Å; F672-T676 HydrophobicContact CE1-CG2 4.16Å; F672-T676 HydrophobicContact CE2-CG2 3.88Å; F672-T676 HydrophobicContact CG-CG2 4.43Å; F672-T676 HydrophobicContact CZ-CG2 3.9Å; F672-T676 WeakPolarHBondContact O-CB 3.4Å; F672-T676 WeakPolarHBondContact O-CG2 3.47Å; F672-T676 PolarHBondContact O-N 3.45Å; F672-T676 PolarHBondContact O-OG1 3.41Å; C673-T676 WeakPolarHBondContact CA-OG1 3.49Å; T676-L678 PolarHBondContact O-N 3.11Å; T676-L678 WeakPolarHBondContact OG1-CB 3.5Å; T676-L678 PolarHBondContact OG1-N 3.36Å |
| 677 | E | 86.2 | Confident | 86.9 | Confident | 100 Ų | 100 | 36.5 Ų | 36.5 | 47% | 0.467 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 30.6 | -163.6 | -61.8 | -175.2 | 176.6 | 0 | 0 | 113 | C673 V680 Q681 | C673-E677 WeakPolarHBondContact O-CA 3.3Å; C673-E677 PolarHBondContact O-N 3.03Å; E677-V680 WeakPolarHBondContact O-CB 3.38Å; E677-V680 PolarHBondContact O-N 3.11Å; E677-V680 VanDerWaalsContact O-N 3.08Å; E677-Q681 HydrophobicContact CB-CG 4.11Å; E677-Q681 WeakPolarHBondContact O-CG 3.29Å; E677-Q681 PolarHBondContact O-N 3.09Å; E677-Q681 PolarHBondContact OE2-NE2 3.43Å |
| 678 | L | 88 | Confident | 86.8 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.7 | -49.1 | -160.8 | 177.2 | 61.1 | 0 | 0 | 0 | 115.7 | L590 V656 I660 F672 T676 V680 Q681 L682 | L590-L678 HydrophobicContact CD1-CD1 3.39Å; V656-L678 HydrophobicContact CG1-CD1 3.7Å; V656-L678 HydrophobicContact CG1-CD2 4.05Å; V656-L678 HydrophobicContact CG1-CG 4.24Å; V656-L678 HydrophobicContact CG2-CD1 3.97Å; I660-L678 HydrophobicContact CD1-CD2 3.23Å; I660-L678 HydrophobicContact CD1-CG 3.99Å; I660-L678 HydrophobicContact CG1-CD2 3.68Å; F672-L678 HydrophobicContact CD1-CD2 4.23Å; F672-L678 HydrophobicContact CE1-CD2 3.71Å; T676-L678 PolarHBondContact O-N 3.11Å; T676-L678 WeakPolarHBondContact OG1-CB 3.5Å; T676-L678 PolarHBondContact OG1-N 3.36Å; L678-V680 VanDerWaalsContact C-N 3.31Å; L678-V680 PolarHBondContact O-N 3.11Å; L678-Q681 PolarHBondContact O-N 3.47Å; L678-L682 HydrophobicContact CD1-CD1 4.13Å; L678-L682 HydrophobicContact CD1-CG 4.07Å; L678-L682 HydrophobicContact CG-CD1 4.28Å; L678-L682 VanDerWaalsContact O-CG 3.32Å; L678-L682 WeakPolarHBondContact O-CG 3.42Å; L678-L682 PolarHBondContact O-N 2.98Å |
| 679 | P | 88.8 | Confident | 86.8 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.2 | -41 | 177.7 | -21.8 | 33.4 | 0 | 0 | 0 | 112.5 | L682 I683 Y715 H737 | P679-L682 PolarHBondContact O-N 2.84Å; P679-I683 VanDerWaalsContact O-CG1 3.28Å; P679-I683 WeakPolarHBondContact O-CG1 3.35Å; P679-I683 PolarHBondContact O-N 3.26Å; P679-Y715 HydrophobicContact CB-CD1 4.17Å; P679-Y715 HydrophobicContact CB-CE1 4Å; P679-Y715 HydrophobicContact CB-CE2 4.36Å; P679-Y715 HydrophobicContact CB-CG 4.42Å; P679-Y715 HydrophobicContact CG-CD1 4.12Å; P679-Y715 HydrophobicContact CG-CD2 3.64Å; P679-Y715 HydrophobicContact CG-CE1 3.91Å; P679-Y715 HydrophobicContact CG-CE2 3.39Å; P679-Y715 HydrophobicContact CG-CG 3.99Å; P679-H737 HydrophobicContact CB-CB 4.47Å |
| 680 | V | 88.8 | Confident | 86.9 | Confident | 48 Ų | 48 | 32.8 Ų | 32.8 | 29% | 0.291 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.3 | -44.7 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | E677 L678 I683 K684 H737 | E677-V680 WeakPolarHBondContact O-CB 3.38Å; E677-V680 PolarHBondContact O-N 3.11Å; E677-V680 VanDerWaalsContact O-N 3.08Å; L678-V680 VanDerWaalsContact C-N 3.31Å; L678-V680 PolarHBondContact O-N 3.11Å; V680-I683 PolarHBondContact O-N 2.72Å; V680-K684 HydrophobicContact CG1-CD 4.04Å; V680-K684 HydrophobicContact CG1-CG 4.44Å; V680-K684 WeakPolarHBondContact O-CB 3.32Å; V680-K684 VanDerWaalsContact O-CG 3.31Å; V680-K684 WeakPolarHBondContact O-CG 3.28Å; V680-K684 PolarHBondContact O-N 3.18Å; V680-H737 WeakPolarHBondContact CG2-NE2 3.32Å |
| 681 | Q | 87.2 | Confident | 86.8 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.2 | -38.5 | 179.2 | -63.5 | -62 | -20.7 | 0 | 0 | 112 | L590 S594 E677 L678 K684 L685 | L590-Q681 HydrophobicContact CB-CB 4.08Å; L590-Q681 HydrophobicContact CB-CG 4.48Å; S594-Q681 PolarHBondContact OG-OE1 3.42Å; E677-Q681 HydrophobicContact CB-CG 4.11Å; E677-Q681 WeakPolarHBondContact O-CG 3.29Å; E677-Q681 PolarHBondContact O-N 3.09Å; E677-Q681 PolarHBondContact OE2-NE2 3.43Å; L678-Q681 PolarHBondContact O-N 3.47Å; Q681-K684 PolarHBondContact O-N 2.84Å; Q681-L685 VanDerWaalsContact O-CB 3.26Å; Q681-L685 WeakPolarHBondContact O-CB 3.25Å; Q681-L685 PolarHBondContact O-N 3.23Å |
| 682 | L | 91.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 174.7 | -69.4 | 175.4 | 0 | 0 | 0 | 112.1 | L653 V656 L678 P679 L685 M686 I708 A711 | L653-L682 HydrophobicContact CD2-CD2 3.52Å; V656-L682 HydrophobicContact CG1-CD1 4.32Å; L678-L682 HydrophobicContact CD1-CD1 4.13Å; L678-L682 HydrophobicContact CD1-CG 4.07Å; L678-L682 HydrophobicContact CG-CD1 4.28Å; L678-L682 VanDerWaalsContact O-CG 3.32Å; L678-L682 WeakPolarHBondContact O-CG 3.42Å; L678-L682 PolarHBondContact O-N 2.98Å; P679-L682 PolarHBondContact O-N 2.84Å; L682-L685 PolarHBondContact O-N 3.42Å; L682-M686 WeakPolarHBondContact O-CB 3.32Å; L682-M686 PolarHBondContact O-N 2.95Å; L682-I708 HydrophobicContact CB-CG2 4.49Å; L682-A711 HydrophobicContact CD1-CB 3.92Å; L682-A711 HydrophobicContact CD2-CB 4.21Å |
| 683 | I | 90.9 | Very high | 85.9 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.051 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 176.3 | -68.6 | 169.8 | 0 | 0 | 0 | 110.7 | P679 V680 M686 Q687 I712 H737 C740 L744 | P679-I683 VanDerWaalsContact O-CG1 3.28Å; P679-I683 WeakPolarHBondContact O-CG1 3.35Å; P679-I683 PolarHBondContact O-N 3.26Å; V680-I683 PolarHBondContact O-N 2.72Å; I683-M686 WeakPolarHBondContact O-CB 3.47Å; I683-M686 PolarHBondContact O-N 3.48Å; I683-Q687 WeakPolarHBondContact O-CG 3.25Å; I683-Q687 PolarHBondContact O-N 3.34Å; I683-I712 HydrophobicContact CD1-CD1 4.04Å; I683-I712 HydrophobicContact CG1-CD1 3.48Å; I683-I712 VanDerWaalsContact CG1-CD1 3.48Å; I683-H737 HydrophobicContact CD1-CB 4.26Å; I683-C740 HydrophobicContact CD1-CB 3.86Å; I683-C740 HydrophobicContact CG2-CB 4.22Å; I683-L744 HydrophobicContact CG2-CD1 4.09Å |
| 684 | K | 87 | Confident | 85.3 | Confident | 93 Ų | 93 | 42.8 Ų | 42.8 | 40% | 0.404 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 175.6 | -75.4 | 175.2 | 179.4 | 172.1 | 0 | 111.9 | V680 Q681 M686 Q687 S688 | V680-K684 HydrophobicContact CG1-CD 4.04Å; V680-K684 HydrophobicContact CG1-CG 4.44Å; V680-K684 WeakPolarHBondContact O-CB 3.32Å; V680-K684 VanDerWaalsContact O-CG 3.31Å; V680-K684 WeakPolarHBondContact O-CG 3.28Å; V680-K684 PolarHBondContact O-N 3.18Å; Q681-K684 PolarHBondContact O-N 2.84Å; K684-M686 VanDerWaalsContact C-N 3.34Å; K684-Q687 PolarHBondContact O-N 2.98Å; K684-S688 WeakPolarHBondContact O-CB 3.48Å; K684-S688 PolarHBondContact O-N 3.39Å |
| 685 | L | 87.5 | Confident | 84.8 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.3 | -43.7 | 175.4 | -176.7 | 66.9 | 0 | 0 | 0 | 111 | A593 L649 L653 Q681 L682 S688 F689 I708 | A593-L685 HydrophobicContact CB-CD1 3.96Å; A593-L685 WeakPolarHBondContact O-CD1 3.33Å; L649-L685 HydrophobicContact CD1-CD2 4.06Å; L649-L685 HydrophobicContact CD2-CD1 4.46Å; L649-L685 HydrophobicContact CD2-CD2 4.32Å; L653-L685 HydrophobicContact CD2-CD2 4.29Å; Q681-L685 VanDerWaalsContact O-CB 3.26Å; Q681-L685 WeakPolarHBondContact O-CB 3.25Å; Q681-L685 PolarHBondContact O-N 3.23Å; L682-L685 PolarHBondContact O-N 3.42Å; L685-S688 WeakPolarHBondContact O-CB 3.4Å; L685-S688 PolarHBondContact O-N 3.09Å; L685-F689 HydrophobicContact CD1-CD2 4Å; L685-F689 HydrophobicContact CD1-CE2 3.72Å; L685-F689 HydrophobicContact CG-CD2 4.27Å; L685-F689 HydrophobicContact CG-CE2 4.28Å; L685-F689 WeakPolarHBondContact O-CD2 3.44Å; L685-F689 PolarHBondContact O-N 3.38Å; L685-I708 HydrophobicContact CD2-CD1 3.85Å; L685-I708 HydrophobicContact CD2-CG1 4.05Å; L685-I708 HydrophobicContact CG-CD1 3.85Å |
| 686 | M | 90 | Very high | 84.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 176.1 | -164.5 | -178.4 | -65.4 | 0 | 0 | 112 | L682 I683 K684 S688 F689 L690 L705 I708 I709 I712 F741 L744 L748 | L682-M686 WeakPolarHBondContact O-CB 3.32Å; L682-M686 PolarHBondContact O-N 2.95Å; I683-M686 WeakPolarHBondContact O-CB 3.47Å; I683-M686 PolarHBondContact O-N 3.48Å; K684-M686 VanDerWaalsContact C-N 3.34Å; M686-S688 VanDerWaalsContact C-N 3.29Å; M686-S688 PolarHBondContact O-N 3.41Å; M686-F689 PolarHBondContact O-N 2.93Å; M686-L690 HydrophobicContact CG-CD1 4.32Å; M686-L690 WeakPolarHBondContact O-CB 3.31Å; M686-L690 VanDerWaalsContact O-CG 3.28Å; M686-L690 WeakPolarHBondContact O-CG 3.44Å; M686-L690 PolarHBondContact O-N 3.32Å; M686-L705 HydrophobicContact CG-CD2 4.43Å; M686-I708 HydrophobicContact CB-CG2 4.08Å; M686-I708 HydrophobicContact CE-CB 4.25Å; M686-I708 HydrophobicContact CE-CG2 3.5Å; M686-I708 VanDerWaalsContact CE-CG2 3.5Å; M686-I708 HydrophobicContact CG-CG2 4.49Å; M686-I709 HydrophobicContact CE-CG1 3.88Å; M686-I712 HydrophobicContact CE-CG2 4.38Å; M686-F741 HydrophobicContact CE-CE2 4.33Å; M686-F741 HydrophobicContact SD-CD2 4.5Å; M686-F741 HydrophobicContact SD-CE2 4.42Å; M686-L744 HydrophobicContact CB-CD1 4.41Å; M686-L744 HydrophobicContact CG-CD1 4.36Å; M686-L744 HydrophobicContact SD-CD1 3.96Å; M686-L748 HydrophobicContact CG-CD2 4.11Å; M686-L748 HydrophobicContact SD-CD1 3.65Å; M686-L748 HydrophobicContact SD-CD2 3.85Å; M686-L748 HydrophobicContact SD-CG 4.28Å |
| 687 | Q | 88.5 | Confident | 84.3 | Confident | 65 Ų | 65 | 46.2 Ų | 46.2 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.2 | -42.9 | 174.8 | -76.1 | 174 | -11.8 | 0 | 0 | 111.7 | I683 K684 L690 N691 L744 | I683-Q687 WeakPolarHBondContact O-CG 3.25Å; I683-Q687 PolarHBondContact O-N 3.34Å; K684-Q687 PolarHBondContact O-N 2.98Å; Q687-L690 PolarHBondContact O-N 3.44Å; Q687-N691 WeakPolarHBondContact O-CB 3.29Å; Q687-N691 PolarHBondContact O-N 2.83Å; Q687-N691 PolarHBondContact O-ND2 3.35Å; Q687-L744 HydrophobicContact CG-CD1 3.81Å; Q687-L744 HydrophobicContact CG-CD2 3.61Å; Q687-L744 HydrophobicContact CG-CG 4.34Å |
| 688 | S | 81.6 | Confident | 84 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -48.4 | 179.1 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | I596 K684 L685 M686 L690 N691 F692 | I596-S688 WeakPolarHBondContact CD1-OG 3.44Å; I596-S688 VanDerWaalsContact CG1-OG 3.31Å; I596-S688 WeakPolarHBondContact CG1-OG 3.36Å; K684-S688 WeakPolarHBondContact O-CB 3.48Å; K684-S688 PolarHBondContact O-N 3.39Å; L685-S688 WeakPolarHBondContact O-CB 3.4Å; L685-S688 PolarHBondContact O-N 3.09Å; M686-S688 VanDerWaalsContact C-N 3.29Å; M686-S688 PolarHBondContact O-N 3.41Å; S688-L690 PolarHBondContact O-N 3.26Å; S688-N691 PolarHBondContact O-N 3.09Å; S688-F692 PolarHBondContact O-N 2.91Å |
| 689 | F | 86.1 | Confident | 83.5 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 174.4 | -89.8 | -112.8 | 0 | 0 | 0 | 112.5 | L612 L649 L685 M686 N691 L695 H696 W700 Y701 I704 L705 | L612-F689 HydrophobicContact CD1-CZ 4.19Å; L649-F689 HydrophobicContact CD2-CE2 3.92Å; L649-F689 HydrophobicContact CD2-CZ 3.65Å; L685-F689 HydrophobicContact CD1-CD2 4Å; L685-F689 HydrophobicContact CD1-CE2 3.72Å; L685-F689 HydrophobicContact CG-CD2 4.27Å; L685-F689 HydrophobicContact CG-CE2 4.28Å; L685-F689 WeakPolarHBondContact O-CD2 3.44Å; L685-F689 PolarHBondContact O-N 3.38Å; M686-F689 PolarHBondContact O-N 2.93Å; F689-N691 VanDerWaalsContact C-N 3.27Å; F689-N691 PolarHBondContact O-N 3.33Å; F689-L695 HydrophobicContact CD1-CD1 4.09Å; F689-L695 HydrophobicContact CD2-CD1 4.49Å; F689-L695 HydrophobicContact CE1-CD1 4.21Å; F689-L695 HydrophobicContact CG-CD1 4.23Å; F689-L695 HydrophobicContact CZ-CD1 4.46Å; F689-H696 PolarHBondContact O-NE2 3.33Å; F689-W700 HydrophobicContact CE1-CZ3 4.28Å; F689-Y701 HydrophobicContact CB-CE2 4.23Å; F689-Y701 AromaticContact CD1-CD2 3.96Å; F689-Y701 HydrophobicContact CD1-CD2 3.96Å; F689-Y701 HydrophobicContact CD1-CE2 4.07Å; F689-I704 HydrophobicContact CD1-CG2 4.1Å; F689-I704 HydrophobicContact CE1-CB 3.92Å; F689-I704 HydrophobicContact CE1-CD1 4.02Å; F689-I704 HydrophobicContact CE1-CG2 3.45Å; F689-I704 VanDerWaalsContact CE1-CG2 3.45Å; F689-I704 HydrophobicContact CE2-CG2 4.43Å; F689-I704 HydrophobicContact CZ-CD1 4.21Å; F689-I704 HydrophobicContact CZ-CG2 3.65Å; F689-L705 HydrophobicContact CB-CD2 3.77Å; F689-L705 HydrophobicContact CG-CD2 4.47Å |
| 690 | L | 86.8 | Confident | 83.1 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.8 | -25.7 | 178 | -70.4 | 173.4 | 0 | 0 | 0 | 113.2 | M686 Q687 S688 L705 R747 L748 Q751 | M686-L690 HydrophobicContact CG-CD1 4.32Å; M686-L690 WeakPolarHBondContact O-CB 3.31Å; M686-L690 VanDerWaalsContact O-CG 3.28Å; M686-L690 WeakPolarHBondContact O-CG 3.44Å; M686-L690 PolarHBondContact O-N 3.32Å; Q687-L690 PolarHBondContact O-N 3.44Å; S688-L690 PolarHBondContact O-N 3.26Å; L690-L705 HydrophobicContact CD2-CD1 4.32Å; L690-R747 VanDerWaalsContact C-NH2 3.28Å; L690-R747 HydrophobicContact CD1-CB 4.27Å; L690-R747 PolarHBondContact O-NH2 2.89Å; L690-L748 HydrophobicContact CD1-CD2 3.87Å; L690-L748 HydrophobicContact CD1-CG 4.23Å; L690-L748 HydrophobicContact CD2-CD2 4.12Å; L690-L748 HydrophobicContact CG-CD2 4.38Å; L690-Q751 HydrophobicContact CD2-CG 4.29Å |
| 691 | N | 83.7 | Confident | 83 | Confident | 99 Ų | 99 | 53.2 Ų | 53.2 | 53% | 0.529 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -88.5 | -31 | -179.2 | -70.9 | -17.4 | 0 | 0 | 0 | 113.1 | Q687 S688 F689 T693 R747 | Q687-N691 WeakPolarHBondContact O-CB 3.29Å; Q687-N691 PolarHBondContact O-N 2.83Å; Q687-N691 PolarHBondContact O-ND2 3.35Å; S688-N691 PolarHBondContact O-N 3.09Å; F689-N691 VanDerWaalsContact C-N 3.27Å; F689-N691 PolarHBondContact O-N 3.33Å; N691-T693 PolarHBondContact O-N 3.08Å; N691-R747 PolarHBondContact OD1-NH1 2.79Å; N691-R747 PolarHBondContact OD1-NH2 2.89Å |
| 692 | F | 78 | Confident | 83.1 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 16% | 0.162 | 26% | 0.264 | C | S | . | . | trans | -88 | 87.7 | -175 | -150.7 | -92.3 | 0 | 0 | 0 | 112 | I596 A613 S688 K694 L695 | I596-F692 HydrophobicContact CD1-CB 4.35Å; I596-F692 HydrophobicContact CD1-CD2 4.13Å; I596-F692 HydrophobicContact CD1-CG 4.35Å; I596-F692 HydrophobicContact CG2-CD2 3.81Å; I596-F692 HydrophobicContact CG2-CE2 3.77Å; A613-F692 HydrophobicContact CB-CE1 4.3Å; S688-F692 PolarHBondContact O-N 2.91Å; F692-K694 HydrophobicContact CD1-CB 3.94Å; F692-K694 HydrophobicContact CE1-CB 3.8Å; F692-K694 HydrophobicContact CE1-CD 4.1Å; F692-K694 HydrophobicContact CE1-CG 4.22Å; F692-K694 PolarHBondContact O-N 3.4Å; F692-K694 VanDerWaalsContact O-N 3.09Å; F692-L695 HydrophobicContact CB-CD1 4.01Å; F692-L695 HydrophobicContact CB-CG 4.33Å; F692-L695 HydrophobicContact CD1-CD1 4.36Å; F692-L695 HydrophobicContact CD1-CG 3.95Å; F692-L695 WeakPolarHBondContact O-CB 3.3Å; F692-L695 PolarHBondContact O-N 3.12Å | ||
| 693 | T | 75.4 | Confident | 82.9 | Confident | 99 Ų | 99 | 58.3 Ų | 58.3 | 61% | 0.607 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -57 | -28.5 | -172.7 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | N691 L695 H696 | N691-T693 PolarHBondContact O-N 3.08Å; T693-L695 PolarHBondContact O-N 3.35Å; T693-H696 VanDerWaalsContact O-CB 3.24Å; T693-H696 WeakPolarHBondContact O-CB 3.47Å; T693-H696 PolarHBondContact O-N 3.41Å |
| 694 | K | 73.5 | Confident | 82.8 | Confident | 128 Ų | 128 | 57.8 Ų | 57.8 | 56% | 0.557 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -62.8 | -22.4 | 176.5 | -64.4 | -171.9 | 176.9 | -171 | 0 | 113.7 | F692 H696 | F692-K694 HydrophobicContact CD1-CB 3.94Å; F692-K694 HydrophobicContact CE1-CB 3.8Å; F692-K694 HydrophobicContact CE1-CD 4.1Å; F692-K694 HydrophobicContact CE1-CG 4.22Å; F692-K694 PolarHBondContact O-N 3.4Å; F692-K694 VanDerWaalsContact O-N 3.09Å; K694-H696 VanDerWaalsContact C-N 3.31Å |
| 695 | L | 76 | Confident | 83 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -75.7 | -23.3 | 175.6 | -63.5 | 172.1 | 0 | 0 | 0 | 111.8 | L612 F689 F692 T693 E697 K698 W700 Y701 | L612-L695 HydrophobicContact CB-CD2 4.04Å; F689-L695 HydrophobicContact CD1-CD1 4.09Å; F689-L695 HydrophobicContact CD2-CD1 4.49Å; F689-L695 HydrophobicContact CE1-CD1 4.21Å; F689-L695 HydrophobicContact CG-CD1 4.23Å; F689-L695 HydrophobicContact CZ-CD1 4.46Å; F692-L695 HydrophobicContact CB-CD1 4.01Å; F692-L695 HydrophobicContact CB-CG 4.33Å; F692-L695 HydrophobicContact CD1-CD1 4.36Å; F692-L695 HydrophobicContact CD1-CG 3.95Å; F692-L695 WeakPolarHBondContact O-CB 3.3Å; F692-L695 PolarHBondContact O-N 3.12Å; T693-L695 PolarHBondContact O-N 3.35Å; L695-E697 PolarHBondContact O-N 3.42Å; L695-E697 VanDerWaalsContact O-N 3.11Å; L695-K698 WeakPolarHBondContact O-CB 3.3Å; L695-K698 PolarHBondContact O-N 3.15Å; L695-W700 HydrophobicContact CD2-CH2 3.69Å; L695-W700 HydrophobicContact CD2-CZ3 4.2Å; L695-Y701 HydrophobicContact CB-CD2 3.81Å; L695-Y701 HydrophobicContact CB-CE2 4.21Å; L695-Y701 WeakPolarHBondContact O-CB 3.32Å |
| 696 | H | 78.7 | Confident | 83.2 | Confident | 69 Ų | 69 | 53.7 Ų | 53.7 | 32% | 0.319 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.4 | -172.7 | -60.3 | -178.8 | 0 | 0 | 0 | 112.5 | F689 T693 K694 Y701 | F689-H696 PolarHBondContact O-NE2 3.33Å; T693-H696 VanDerWaalsContact O-CB 3.24Å; T693-H696 WeakPolarHBondContact O-CB 3.47Å; T693-H696 PolarHBondContact O-N 3.41Å; K694-H696 VanDerWaalsContact C-N 3.31Å; H696-Y701 AromaticContact CD2-CE1 3.86Å; H696-Y701 AromaticContact CD2-CE2 3.48Å; H696-Y701 VanDerWaalsContact CD2-CE2 3.48Å; H696-Y701 WeakPolarHBondContact CD2-CE2 3.39Å; H696-Y701 AromaticContact CD2-CZ 3.25Å; H696-Y701 PolarHBondContact CD2-OH 2.93Å; H696-Y701 VanDerWaalsContact CD2-OH 3.25Å; H696-Y701 AromaticContact NE2-CZ 3.64Å; H696-Y701 PolarHBondContact NE2-OH 2.97Å; H696-Y701 VanDerWaalsContact NE2-OH 3.1Å |
| 697 | E | 76.6 | Confident | 83.2 | Confident | 181 Ų | 181 | 54.9 Ų | 54.9 | 85% | 0.846 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -8.8 | 177.3 | -60.7 | -177.3 | 174.9 | 0 | 0 | 113.5 | L695 | L695-E697 PolarHBondContact O-N 3.42Å; L695-E697 VanDerWaalsContact O-N 3.11Å |
| 698 | K | 79.1 | Confident | 83.4 | Confident | 69 Ų | 69 | 51.8 Ų | 51.8 | 30% | 0.3 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -82.4 | 136.5 | -175.9 | -56.2 | -66.9 | -174.7 | 179.2 | 0 | 111 | L612 L695 W700 Y701 | L612-K698 WeakPolarHBondContact O-CE 3.48Å; L695-K698 WeakPolarHBondContact O-CB 3.3Å; L695-K698 PolarHBondContact O-N 3.15Å; K698-W700 HydrophobicContact CB-CD2 4.07Å; K698-W700 HydrophobicContact CB-CE3 4.33Å; K698-W700 HydrophobicContact CB-CH2 3.84Å; K698-W700 HydrophobicContact CB-CZ2 3.6Å; K698-W700 HydrophobicContact CB-CZ3 4.23Å; K698-W700 HydrophobicContact CD-CZ2 4.12Å; K698-W700 HydrophobicContact CG-CH2 3.82Å; K698-W700 HydrophobicContact CG-CZ2 3.64Å; K698-W700 PolarHBondContact O-N 3.33Å; K698-Y701 WeakPolarHBondContact O-CB 3.41Å; K698-Y701 PolarHBondContact O-N 2.86Å; K698-Y701 VanDerWaalsContact O-N 3.1Å |
| 699 | M | 78 | Confident | 83.9 | Confident | 199 Ų | 199 | 51.1 Ų | 51.1 | 98% | 0.98 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.8 | -174.9 | -61.9 | -171.6 | -95.5 | 0 | 0 | 115 | ||
| 700 | W | 80.9 | Confident | 84.2 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 11% | 0.114 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -1.3 | -178 | 42.8 | -104.8 | 0 | 0 | 0 | 113.7 | L612 A646 F689 L695 K698 Q703 I704 | L612-W700 HydrophobicContact CB-CH2 3.73Å; L612-W700 HydrophobicContact CB-CZ2 4.15Å; L612-W700 HydrophobicContact CD1-CH2 4.14Å; L612-W700 HydrophobicContact CD1-CZ3 4.33Å; L612-W700 HydrophobicContact CD2-CH2 3.58Å; L612-W700 HydrophobicContact CD2-CZ2 3.71Å; L612-W700 HydrophobicContact CD2-CZ3 4.1Å; L612-W700 HydrophobicContact CG-CH2 4.01Å; L612-W700 HydrophobicContact CG-CZ2 4.47Å; A646-W700 HydrophobicContact CB-CB 4.35Å; A646-W700 HydrophobicContact CB-CD2 3.54Å; A646-W700 HydrophobicContact CB-CE3 3.96Å; A646-W700 HydrophobicContact CB-CG 3.7Å; A646-W700 HydrophobicContact CB-CZ2 4.45Å; F689-W700 HydrophobicContact CE1-CZ3 4.28Å; L695-W700 HydrophobicContact CD2-CH2 3.69Å; L695-W700 HydrophobicContact CD2-CZ3 4.2Å; K698-W700 HydrophobicContact CB-CD2 4.07Å; K698-W700 HydrophobicContact CB-CE3 4.33Å; K698-W700 HydrophobicContact CB-CH2 3.84Å; K698-W700 HydrophobicContact CB-CZ2 3.6Å; K698-W700 HydrophobicContact CB-CZ3 4.23Å; K698-W700 HydrophobicContact CD-CZ2 4.12Å; K698-W700 HydrophobicContact CG-CH2 3.82Å; K698-W700 HydrophobicContact CG-CZ2 3.64Å; K698-W700 PolarHBondContact O-N 3.33Å; W700-Q703 PolarHBondContact O-N 3.32Å; W700-I704 HydrophobicContact CD2-CD1 4.27Å; W700-I704 HydrophobicContact CE3-CD1 3.35Å; W700-I704 HydrophobicContact CE3-CG1 4.2Å; W700-I704 HydrophobicContact CZ3-CD1 3.79Å; W700-I704 WeakPolarHBondContact O-CG1 3.4Å; W700-I704 PolarHBondContact O-N 3.5Å |
| 701 | Y | 87.2 | Confident | 84.4 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.3 | -51.3 | -176.4 | 171 | -103.7 | 0 | 0 | 0 | 113 | F689 L695 H696 K698 Q703 I704 L705 Q751 C753 | F689-Y701 HydrophobicContact CB-CE2 4.23Å; F689-Y701 AromaticContact CD1-CD2 3.96Å; F689-Y701 HydrophobicContact CD1-CD2 3.96Å; F689-Y701 HydrophobicContact CD1-CE2 4.07Å; L695-Y701 HydrophobicContact CB-CD2 3.81Å; L695-Y701 HydrophobicContact CB-CE2 4.21Å; L695-Y701 WeakPolarHBondContact O-CB 3.32Å; H696-Y701 AromaticContact CD2-CE1 3.86Å; H696-Y701 AromaticContact CD2-CE2 3.48Å; H696-Y701 VanDerWaalsContact CD2-CE2 3.48Å; H696-Y701 WeakPolarHBondContact CD2-CE2 3.39Å; H696-Y701 AromaticContact CD2-CZ 3.25Å; H696-Y701 PolarHBondContact CD2-OH 2.93Å; H696-Y701 VanDerWaalsContact CD2-OH 3.25Å; H696-Y701 AromaticContact NE2-CZ 3.64Å; H696-Y701 PolarHBondContact NE2-OH 2.97Å; H696-Y701 VanDerWaalsContact NE2-OH 3.1Å; K698-Y701 WeakPolarHBondContact O-CB 3.41Å; K698-Y701 PolarHBondContact O-N 2.86Å; K698-Y701 VanDerWaalsContact O-N 3.1Å; Y701-Q703 VanDerWaalsContact C-N 3.29Å; Y701-Q703 PolarHBondContact O-N 3.46Å; Y701-I704 PolarHBondContact O-N 3.33Å; Y701-L705 HydrophobicContact CD1-CD1 4.25Å; Y701-L705 HydrophobicContact CE1-CD1 3.56Å; Y701-L705 HydrophobicContact CE2-CD1 4.01Å; Y701-L705 HydrophobicContact CE2-CG 4.27Å; Y701-L705 VanDerWaalsContact CZ-CD1 3.42Å; Y701-L705 PolarHBondContact O-N 2.97Å; Y701-L705 VanDerWaalsContact O-N 3.07Å; Y701-L705 WeakPolarHBondContact OH-CD1 3.41Å; Y701-Q751 PolarHBondContact OH-OE1 2.86Å; Y701-C753 HydrophobicContact CD1-CB 4.35Å |
| 702 | E | 88 | Confident | 84.9 | Confident | 46 Ų | 46 | 49 Ų | 49 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.1 | -44.3 | 179 | -176.1 | -173.8 | 166.2 | 0 | 0 | 111.2 | L705 L706 | E702-L705 PolarHBondContact O-N 3.49Å; E702-L706 HydrophobicContact CG-CD1 4.23Å; E702-L706 WeakPolarHBondContact O-CG 3.36Å; E702-L706 PolarHBondContact O-N 2.93Å |
| 703 | Q | 87.8 | Confident | 85.6 | Confident | 71 Ų | 71 | 48.4 Ų | 48.4 | 33% | 0.332 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.8 | -34.9 | -177.6 | -173.3 | 61.9 | 59.9 | 0 | 0 | 113.1 | W700 Y701 L706 D707 | W700-Q703 PolarHBondContact O-N 3.32Å; Y701-Q703 VanDerWaalsContact C-N 3.29Å; Y701-Q703 PolarHBondContact O-N 3.46Å; Q703-L706 WeakPolarHBondContact O-CB 3.26Å; Q703-L706 PolarHBondContact O-N 3.46Å; Q703-D707 PolarHBondContact NE2-OD1 3.2Å; Q703-D707 WeakPolarHBondContact O-CB 3.41Å; Q703-D707 PolarHBondContact O-N 3.03Å |
| 704 | I | 88.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.7 | -43.4 | 173.6 | -66.1 | -178.4 | 0 | 0 | 0 | 110.3 | A646 L649 R650 L653 F689 W700 Y701 L706 D707 I708 | A646-I704 HydrophobicContact CB-CD1 3.97Å; L649-I704 HydrophobicContact CD2-CD1 4.33Å; L649-I704 HydrophobicContact CD2-CG2 3.73Å; L649-I704 HydrophobicContact CG-CG2 4.36Å; R650-I704 HydrophobicContact CG-CG1 3.91Å; L653-I704 HydrophobicContact CD1-CG2 4.35Å; F689-I704 HydrophobicContact CD1-CG2 4.1Å; F689-I704 HydrophobicContact CE1-CB 3.92Å; F689-I704 HydrophobicContact CE1-CD1 4.02Å; F689-I704 HydrophobicContact CE1-CG2 3.45Å; F689-I704 VanDerWaalsContact CE1-CG2 3.45Å; F689-I704 HydrophobicContact CE2-CG2 4.43Å; F689-I704 HydrophobicContact CZ-CD1 4.21Å; F689-I704 HydrophobicContact CZ-CG2 3.65Å; W700-I704 HydrophobicContact CD2-CD1 4.27Å; W700-I704 HydrophobicContact CE3-CD1 3.35Å; W700-I704 HydrophobicContact CE3-CG1 4.2Å; W700-I704 HydrophobicContact CZ3-CD1 3.79Å; W700-I704 WeakPolarHBondContact O-CG1 3.4Å; W700-I704 PolarHBondContact O-N 3.5Å; Y701-I704 PolarHBondContact O-N 3.33Å; I704-L706 VanDerWaalsContact C-N 3.29Å; I704-L706 PolarHBondContact O-N 3.02Å; I704-D707 PolarHBondContact O-N 3.19Å; I704-I708 HydrophobicContact CG2-CD1 3.96Å; I704-I708 HydrophobicContact CG2-CG1 4.34Å; I704-I708 VanDerWaalsContact O-CG1 3.27Å; I704-I708 WeakPolarHBondContact O-CG1 3.21Å; I704-I708 PolarHBondContact O-N 3.29Å |
| 705 | L | 90.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.4 | -42.5 | 174.7 | -76.4 | -179 | 0 | 0 | 0 | 112 | M686 F689 L690 Y701 E702 I708 I709 Q751 L759 | M686-L705 HydrophobicContact CG-CD2 4.43Å; F689-L705 HydrophobicContact CB-CD2 3.77Å; F689-L705 HydrophobicContact CG-CD2 4.47Å; L690-L705 HydrophobicContact CD2-CD1 4.32Å; Y701-L705 HydrophobicContact CD1-CD1 4.25Å; Y701-L705 HydrophobicContact CE1-CD1 3.56Å; Y701-L705 HydrophobicContact CE2-CD1 4.01Å; Y701-L705 HydrophobicContact CE2-CG 4.27Å; Y701-L705 VanDerWaalsContact CZ-CD1 3.42Å; Y701-L705 PolarHBondContact O-N 2.97Å; Y701-L705 VanDerWaalsContact O-N 3.07Å; Y701-L705 WeakPolarHBondContact OH-CD1 3.41Å; E702-L705 PolarHBondContact O-N 3.49Å; L705-I708 PolarHBondContact O-N 2.96Å; L705-I709 WeakPolarHBondContact O-CG1 3.45Å; L705-I709 PolarHBondContact O-N 3.35Å; L705-Q751 HydrophobicContact CD1-CG 4.47Å; L705-L759 HydrophobicContact CB-CD1 3.77Å; L705-L759 HydrophobicContact CD1-CD2 4.22Å |
| 706 | L | 91 | Very high | 87.8 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.3 | -48.3 | 173.2 | -75.6 | 168.3 | 0 | 0 | 0 | 111.9 | E702 Q703 I704 I708 I709 I710 H758 L759 Q762 | E702-L706 HydrophobicContact CG-CD1 4.23Å; E702-L706 WeakPolarHBondContact O-CG 3.36Å; E702-L706 PolarHBondContact O-N 2.93Å; Q703-L706 WeakPolarHBondContact O-CB 3.26Å; Q703-L706 PolarHBondContact O-N 3.46Å; I704-L706 VanDerWaalsContact C-N 3.29Å; I704-L706 PolarHBondContact O-N 3.02Å; L706-I708 VanDerWaalsContact C-N 3.28Å; L706-I708 PolarHBondContact O-N 2.98Å; L706-I709 PolarHBondContact O-N 3.49Å; L706-I709 VanDerWaalsContact O-N 3.17Å; L706-I710 VanDerWaalsContact O-CG1 3.3Å; L706-I710 WeakPolarHBondContact O-CG1 3.45Å; L706-I710 PolarHBondContact O-N 3.01Å; L706-H758 HydrophobicContact CD1-CB 3.81Å; L706-H758 HydrophobicContact CD2-CB 4.04Å; L706-L759 HydrophobicContact CD2-CB 4.38Å; L706-L759 HydrophobicContact CD2-CD1 3.97Å; L706-L759 HydrophobicContact CG-CD1 4.04Å; L706-Q762 HydrophobicContact CD2-CB 4.13Å; L706-Q762 HydrophobicContact CD2-CG 3.91Å |
| 707 | D | 90.8 | Very high | 88.2 | Confident | 24 Ų | 24 | 36.9 Ų | 36.9 | 13% | 0.128 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -34.9 | 179.8 | -66.2 | -13.3 | 0 | 0 | 0 | 111.3 | R650 L653 Q703 I704 A711 | R650-D707 VanDerWaalsContact CG-OD2 3.26Å; R650-D707 WeakPolarHBondContact CG-OD2 3.42Å; R650-D707 IonicContact CZ-OD2 2.85Å; R650-D707 IonicContact NE-OD2 3.26Å; R650-D707 PolarHBondContact NE-OD2 3.3Å; R650-D707 IonicContact NH2-OD2 2.8Å; L653-D707 HydrophobicContact CB-CB 4.28Å; L653-D707 HydrophobicContact CD1-CB 3.88Å; Q703-D707 PolarHBondContact NE2-OD1 3.2Å; Q703-D707 WeakPolarHBondContact O-CB 3.41Å; Q703-D707 PolarHBondContact O-N 3.03Å; I704-D707 PolarHBondContact O-N 3.19Å; D707-A711 WeakPolarHBondContact O-CB 3.13Å; D707-A711 PolarHBondContact O-N 3.06Å |
| 708 | I | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.4 | -42.7 | 173.8 | -58.3 | 164.6 | 0 | 0 | 0 | 111.2 | L653 L682 L685 M686 I704 L705 L706 I710 A711 I712 | L653-I708 HydrophobicContact CD1-CG1 3.54Å; L653-I708 HydrophobicContact CD2-CG1 4.06Å; L653-I708 HydrophobicContact CG-CG1 4.48Å; L682-I708 HydrophobicContact CB-CG2 4.49Å; L685-I708 HydrophobicContact CD2-CD1 3.85Å; L685-I708 HydrophobicContact CD2-CG1 4.05Å; L685-I708 HydrophobicContact CG-CD1 3.85Å; M686-I708 HydrophobicContact CB-CG2 4.08Å; M686-I708 HydrophobicContact CE-CB 4.25Å; M686-I708 HydrophobicContact CE-CG2 3.5Å; M686-I708 VanDerWaalsContact CE-CG2 3.5Å; M686-I708 HydrophobicContact CG-CG2 4.49Å; I704-I708 HydrophobicContact CG2-CD1 3.96Å; I704-I708 HydrophobicContact CG2-CG1 4.34Å; I704-I708 VanDerWaalsContact O-CG1 3.27Å; I704-I708 WeakPolarHBondContact O-CG1 3.21Å; I704-I708 PolarHBondContact O-N 3.29Å; L705-I708 PolarHBondContact O-N 2.96Å; L706-I708 VanDerWaalsContact C-N 3.28Å; L706-I708 PolarHBondContact O-N 2.98Å; I708-I710 VanDerWaalsContact C-N 3.32Å; I708-I710 PolarHBondContact O-N 3.28Å; I708-A711 PolarHBondContact O-N 3.19Å; I708-I712 PolarHBondContact O-N 3.37Å |
| 709 | I | 93.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65 | -37.4 | 176.6 | -67.1 | 160.5 | 0 | 0 | 0 | 111 | M686 L705 L706 A711 I712 N713 L748 L759 Q762 C766 | M686-I709 HydrophobicContact CE-CG1 3.88Å; L705-I709 WeakPolarHBondContact O-CG1 3.45Å; L705-I709 PolarHBondContact O-N 3.35Å; L706-I709 PolarHBondContact O-N 3.49Å; L706-I709 VanDerWaalsContact O-N 3.17Å; I709-A711 VanDerWaalsContact C-N 3.34Å; I709-I712 WeakPolarHBondContact O-CG2 3.17Å; I709-I712 PolarHBondContact O-N 2.91Å; I709-N713 WeakPolarHBondContact O-CB 3.22Å; I709-N713 PolarHBondContact O-N 3.49Å; I709-L748 HydrophobicContact CD1-CD2 4.28Å; I709-L759 HydrophobicContact CD1-CD1 3.35Å; I709-L759 HydrophobicContact CD1-CG 4.11Å; I709-Q762 HydrophobicContact CG2-CB 4.16Å; I709-C766 HydrophobicContact CG2-CB 4.3Å |
| 710 | I | 91.8 | Very high | 89.1 | Confident | 65 Ų | 65 | 17.3 Ų | 17.3 | 33% | 0.333 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -63.9 | -43.3 | 175.1 | -69.3 | 165.9 | 0 | 0 | 0 | 110.2 | T657 L706 I708 N713 A714 | T657-I710 HydrophobicContact CG2-CG2 3.91Å; L706-I710 VanDerWaalsContact O-CG1 3.3Å; L706-I710 WeakPolarHBondContact O-CG1 3.45Å; L706-I710 PolarHBondContact O-N 3.01Å; I708-I710 VanDerWaalsContact C-N 3.32Å; I708-I710 PolarHBondContact O-N 3.28Å; I710-N713 PolarHBondContact O-N 2.85Å; I710-A714 WeakPolarHBondContact O-CB 3.46Å; I710-A714 PolarHBondContact O-N 3Å |
| 711 | A | 91.6 | Very high | 89 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64 | -39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L653 V656 T657 L682 D707 I708 I709 A714 Y715 | L653-A711 HydrophobicContact CD2-CB 4.47Å; V656-A711 HydrophobicContact CG1-CB 4.24Å; T657-A711 WeakPolarHBondContact OG1-CA 3.32Å; L682-A711 HydrophobicContact CD1-CB 3.92Å; L682-A711 HydrophobicContact CD2-CB 4.21Å; D707-A711 WeakPolarHBondContact O-CB 3.13Å; D707-A711 PolarHBondContact O-N 3.06Å; I708-A711 PolarHBondContact O-N 3.19Å; I709-A711 VanDerWaalsContact C-N 3.34Å; A711-A714 WeakPolarHBondContact O-CB 3.15Å; A711-A714 PolarHBondContact O-N 3.02Å; A711-Y715 PolarHBondContact O-N 3.45Å |
| 712 | I | 93.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71.8 | -37 | 177.5 | -150.3 | 171.4 | 0 | 0 | 0 | 112.1 | I683 M686 I708 I709 A714 Y715 F716 F741 | I683-I712 HydrophobicContact CD1-CD1 4.04Å; I683-I712 HydrophobicContact CG1-CD1 3.48Å; I683-I712 VanDerWaalsContact CG1-CD1 3.48Å; M686-I712 HydrophobicContact CE-CG2 4.38Å; I708-I712 PolarHBondContact O-N 3.37Å; I709-I712 WeakPolarHBondContact O-CG2 3.17Å; I709-I712 PolarHBondContact O-N 2.91Å; I712-A714 VanDerWaalsContact C-N 3.32Å; I712-A714 PolarHBondContact O-N 3.33Å; I712-Y715 WeakPolarHBondContact O-CB 3.43Å; I712-Y715 PolarHBondContact O-N 3.46Å; I712-F716 HydrophobicContact CD1-CE2 4.21Å; I712-F716 HydrophobicContact CD1-CZ 4.48Å; I712-F716 HydrophobicContact CG1-CD2 4.44Å; I712-F716 HydrophobicContact CG1-CE2 3.88Å; I712-F716 HydrophobicContact CG1-CZ 4.35Å; I712-F716 HydrophobicContact CG2-CE2 4.46Å; I712-F716 WeakPolarHBondContact O-CD2 3.39Å; I712-F716 PolarHBondContact O-N 3.4Å; I712-F741 HydrophobicContact CD1-CB 4.12Å; I712-F741 HydrophobicContact CD1-CD2 3.76Å; I712-F741 HydrophobicContact CD1-CG 4.16Å; I712-F741 HydrophobicContact CG2-CD2 4.02Å; I712-F741 HydrophobicContact CG2-CE2 3.8Å; I712-F741 HydrophobicContact CG2-CZ 4.34Å |
| 713 | N | 91.9 | Very high | 87.7 | Confident | 24 Ų | 24 | 21.9 Ų | 21.9 | 13% | 0.128 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.6 | -39.9 | 173.7 | -172 | 38.4 | 0 | 0 | 0 | 111.2 | I709 I710 Y715 F716 V717 C766 | I709-N713 WeakPolarHBondContact O-CB 3.22Å; I709-N713 PolarHBondContact O-N 3.49Å; I710-N713 PolarHBondContact O-N 2.85Å; N713-Y715 VanDerWaalsContact C-N 3.29Å; N713-Y715 PolarHBondContact O-N 2.88Å; N713-F716 PolarHBondContact O-N 3.38Å; N713-V717 WeakPolarHBondContact O-CG2 3.38Å; N713-V717 PolarHBondContact O-N 2.66Å; N713-C766 HydrophobicContact CB-CB 4.1Å |
| 714 | A | 90.3 | Very high | 86.6 | Confident | 9 Ų | 9 | 21.3 Ų | 21.3 | 7% | 0.074 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.5 | -39.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T657 T661 I710 A711 I712 S718 | T657-A714 HydrophobicContact CG2-CB 3.9Å; T661-A714 HydrophobicContact CG2-CB 3.62Å; I710-A714 WeakPolarHBondContact O-CB 3.46Å; I710-A714 PolarHBondContact O-N 3Å; A711-A714 WeakPolarHBondContact O-CB 3.15Å; A711-A714 PolarHBondContact O-N 3.02Å; I712-A714 VanDerWaalsContact C-N 3.32Å; I712-A714 PolarHBondContact O-N 3.33Å; A714-S718 WeakPolarHBondContact O-CB 3.48Å; A714-S718 PolarHBondContact O-N 3.37Å |
| 715 | Y | 91.5 | Very high | 85.6 | Confident | 6 Ų | 6 | 26.4 Ų | 26.4 | 2% | 0.024 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.2 | -48.9 | 171.9 | 169.4 | -104.7 | 0 | 0 | 0 | 112.5 | P679 A711 I712 N713 V717 S718 I720 Y734 H737 | P679-Y715 HydrophobicContact CB-CD1 4.17Å; P679-Y715 HydrophobicContact CB-CE1 4Å; P679-Y715 HydrophobicContact CB-CE2 4.36Å; P679-Y715 HydrophobicContact CB-CG 4.42Å; P679-Y715 HydrophobicContact CG-CD1 4.12Å; P679-Y715 HydrophobicContact CG-CD2 3.64Å; P679-Y715 HydrophobicContact CG-CE1 3.91Å; P679-Y715 HydrophobicContact CG-CE2 3.39Å; P679-Y715 HydrophobicContact CG-CG 3.99Å; A711-Y715 PolarHBondContact O-N 3.45Å; I712-Y715 WeakPolarHBondContact O-CB 3.43Å; I712-Y715 PolarHBondContact O-N 3.46Å; N713-Y715 VanDerWaalsContact C-N 3.29Å; N713-Y715 PolarHBondContact O-N 2.88Å; Y715-V717 VanDerWaalsContact C-N 3.27Å; Y715-V717 PolarHBondContact O-N 3.08Å; Y715-S718 WeakPolarHBondContact O-CB 3.45Å; Y715-S718 PolarHBondContact O-N 3.05Å; Y715-S718 PolarHBondContact O-OG 2.93Å; Y715-I720 HydrophobicContact CE2-CD1 3.97Å; Y715-Y734 AromaticContact CE1-CD2 3.85Å; Y715-Y734 HydrophobicContact CE1-CD2 3.85Å; Y715-Y734 HydrophobicContact CE1-CE2 4.17Å; Y715-Y734 AromaticContact CZ-CD2 3.8Å; Y715-H737 HydrophobicContact CE1-CB 4.21Å; Y715-H737 AromaticContact CE1-ND1 3.97Å; Y715-H737 AromaticContact CZ-ND1 3.8Å; Y715-H737 PolarHBondContact OH-ND1 3.3Å; Y715-H737 VanDerWaalsContact OH-ND1 3.11Å |
| 716 | F | 90.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.1 | -29.4 | -178.8 | -68.1 | -49.6 | 0 | 0 | 0 | 113.4 | I712 N713 G721 Y734 H737 A738 F741 L770 | I712-F716 HydrophobicContact CD1-CE2 4.21Å; I712-F716 HydrophobicContact CD1-CZ 4.48Å; I712-F716 HydrophobicContact CG1-CD2 4.44Å; I712-F716 HydrophobicContact CG1-CE2 3.88Å; I712-F716 HydrophobicContact CG1-CZ 4.35Å; I712-F716 HydrophobicContact CG2-CE2 4.46Å; I712-F716 WeakPolarHBondContact O-CD2 3.39Å; I712-F716 PolarHBondContact O-N 3.4Å; N713-F716 PolarHBondContact O-N 3.38Å; F716-G721 WeakPolarHBondContact O-CA 3.27Å; F716-Y734 HydrophobicContact CD1-CE1 4.35Å; F716-Y734 AromaticContact CD1-CE2 3.84Å; F716-Y734 HydrophobicContact CD1-CE2 3.84Å; F716-Y734 AromaticContact CD1-CZ 3.73Å; F716-Y734 PolarHBondContact O-OH 2.97Å; F716-H737 HydrophobicContact CE1-CB 4.46Å; F716-A738 HydrophobicContact CE1-CB 4.07Å; F716-A738 HydrophobicContact CZ-CB 4.38Å; F716-F741 HydrophobicContact CE2-CB 4.12Å; F716-F741 AromaticContact CE2-CD1 3.96Å; F716-F741 HydrophobicContact CE2-CD1 3.96Å; F716-F741 HydrophobicContact CE2-CG 4.04Å; F716-F741 HydrophobicContact CZ-CB 4.07Å; F716-F741 HydrophobicContact CZ-CG 4.5Å; F716-L770 HydrophobicContact CB-CD1 4.43Å; F716-L770 HydrophobicContact CD1-CD1 3.59Å; F716-L770 HydrophobicContact CD2-CB 4.47Å; F716-L770 HydrophobicContact CD2-CD1 4.24Å; F716-L770 HydrophobicContact CE1-CD1 3.79Å; F716-L770 HydrophobicContact CE2-CD1 4.41Å; F716-L770 HydrophobicContact CE2-CD2 4.36Å; F716-L770 HydrophobicContact CG-CD1 3.84Å; F716-L770 HydrophobicContact CZ-CD1 4.21Å; F716-L770 HydrophobicContact CZ-CD2 4.44Å |
| 717 | V | 86.5 | Confident | 84.3 | Confident | 40 Ų | 40 | 31 Ų | 31 | 24% | 0.242 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -94.3 | -5.6 | -179.7 | -176.3 | 0 | 0 | 0 | 0 | 113.3 | N713 Y715 Q722 Y769 | N713-V717 WeakPolarHBondContact O-CG2 3.38Å; N713-V717 PolarHBondContact O-N 2.66Å; Y715-V717 VanDerWaalsContact C-N 3.27Å; Y715-V717 PolarHBondContact O-N 3.08Å; V717-Q722 PolarHBondContact O-NE2 3.36Å; V717-Y769 HydrophobicContact CG2-CD2 4.44Å; V717-Y769 HydrophobicContact CG2-CG 4.3Å |
| 718 | S | 87.4 | Confident | 83.7 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -59.2 | 175.9 | 177.3 | 72.7 | 0 | 0 | 0 | 0 | 113.7 | A714 Y715 I720 G721 Q722 | A714-S718 WeakPolarHBondContact O-CB 3.48Å; A714-S718 PolarHBondContact O-N 3.37Å; Y715-S718 WeakPolarHBondContact O-CB 3.45Å; Y715-S718 PolarHBondContact O-N 3.05Å; Y715-S718 PolarHBondContact O-OG 2.93Å; S718-I720 PolarHBondContact O-N 3.38Å; S718-I720 VanDerWaalsContact O-N 3.14Å; S718-I720 PolarHBondContact OG-N 2.76Å; S718-G721 VanDerWaalsContact O-CA 3.29Å; S718-G721 WeakPolarHBondContact O-CA 3.29Å; S718-G721 PolarHBondContact O-N 3.32Å; S718-Q722 PolarHBondContact O-N 2.82Å |
| 719 | E | 82.3 | Confident | 83.3 | Confident | 30 Ų | 30 | 39.5 Ų | 39.5 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57 | -27.5 | 174.4 | -68.3 | -75.9 | 151.3 | 0 | 0 | 112.6 | V666 I669 G721 Q722 R723 | V666-E719 HydrophobicContact CG2-CB 3.8Å; I669-E719 HydrophobicContact CD1-CB 3.94Å; I669-E719 HydrophobicContact CD1-CG 4.29Å; E719-G721 VanDerWaalsContact C-N 3.31Å; E719-G721 PolarHBondContact O-N 2.8Å; E719-Q722 PolarHBondContact O-N 2.72Å; E719-R723 PolarHBondContact O-N 2.9Å; E719-R723 VanDerWaalsContact O-N 3.08Å; E719-R723 IonicContact OE2-NE 3.44Å |
| 720 | I | 84.2 | Confident | 82.8 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 171.2 | -60.2 | 173.9 | 0 | 0 | 0 | 110 | V666 I669 V670 Y715 S718 Q722 I726 V730 Y734 R777 | V666-I720 HydrophobicContact CG1-CG1 4.14Å; I669-I720 HydrophobicContact CB-CD1 4.19Å; I669-I720 HydrophobicContact CB-CG1 4.32Å; I669-I720 HydrophobicContact CG2-CD1 3.65Å; I669-I720 HydrophobicContact CG2-CG1 4.11Å; V670-I720 HydrophobicContact CG2-CD1 4.03Å; V670-I720 HydrophobicContact CG2-CG1 4.12Å; Y715-I720 HydrophobicContact CE2-CD1 3.97Å; S718-I720 PolarHBondContact O-N 3.38Å; S718-I720 VanDerWaalsContact O-N 3.14Å; S718-I720 PolarHBondContact OG-N 2.76Å; I720-Q722 VanDerWaalsContact C-N 3.33Å; I720-Q722 PolarHBondContact O-N 3.11Å; I720-I726 HydrophobicContact CG2-CD1 4.27Å; I720-I726 WeakPolarHBondContact O-CD1 3.41Å; I720-V730 HydrophobicContact CG2-CG1 4.13Å; I720-Y734 HydrophobicContact CG2-CD2 3.69Å; I720-Y734 HydrophobicContact CG2-CE2 4.26Å; I720-Y734 HydrophobicContact CG2-CG 4.47Å; I720-R777 VanDerWaalsContact O-CZ 3.28Å; I720-R777 PolarHBondContact O-NH1 2.68Å; I720-R777 PolarHBondContact O-NH2 3.47Å |
| 721 | G | 77.3 | Confident | 82.5 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.7 | -34.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F716 S718 E719 R777 | F716-G721 WeakPolarHBondContact O-CA 3.27Å; S718-G721 VanDerWaalsContact O-CA 3.29Å; S718-G721 WeakPolarHBondContact O-CA 3.29Å; S718-G721 PolarHBondContact O-N 3.32Å; E719-G721 VanDerWaalsContact C-N 3.31Å; E719-G721 PolarHBondContact O-N 2.8Å; G721-R777 PolarHBondContact O-NH2 3.1Å |
| 722 | Q | 74.9 | Confident | 82.2 | Confident | 58 Ų | 58 | 41.5 Ų | 41.5 | 27% | 0.271 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -94.8 | -34.7 | -167.7 | -65.7 | -179.4 | 27.7 | 0 | 0 | 114.6 | V717 S718 E719 I720 N1052 | V717-Q722 PolarHBondContact O-NE2 3.36Å; S718-Q722 PolarHBondContact O-N 2.82Å; E719-Q722 PolarHBondContact O-N 2.72Å; I720-Q722 VanDerWaalsContact C-N 3.33Å; I720-Q722 PolarHBondContact O-N 3.11Å; Q722-N1052 PolarHBondContact OE1-ND2 3.03Å |
| 723 | R | 73 | Confident | 81.8 | Confident | 112 Ų | 112 | 43.4 Ų | 43.4 | 42% | 0.423 | 23% | 0.229 | S | C | . | . | trans | -79.8 | 138.1 | -174.7 | -67.4 | -143.8 | -173.5 | 179.2 | 2.5 | 113.2 | V666 E719 I726 R777 | V666-R723 HydrophobicContact CG2-CB 4.02Å; V666-R723 HydrophobicContact CG2-CG 3.58Å; E719-R723 PolarHBondContact O-N 2.9Å; E719-R723 VanDerWaalsContact O-N 3.08Å; E719-R723 IonicContact OE2-NE 3.44Å; R723-I726 HydrophobicContact CB-CD1 4.05Å; R723-I726 HydrophobicContact CB-CG1 3.93Å; R723-I726 VanDerWaalsContact O-CD1 3.3Å; R723-I726 WeakPolarHBondContact O-CD1 3.49Å; R723-I726 WeakPolarHBondContact O-CG1 3.31Å; R723-R777 PolarHBondContact O-NH1 3Å | ||
| 724 | Q | 66.7 | Low | 81.7 | Confident | 59 Ų | 59 | 42.2 Ų | 42.2 | 28% | 0.276 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -83.6 | -26.9 | 176.7 | -70.2 | -173.5 | -22.6 | 0 | 0 | 113.7 | E776 | Q724-E776 PolarHBondContact NE2-O 3.17Š|
| 725 | N | 67.4 | Low | 81.6 | Confident | 107 Ų | 107 | 42 Ų | 42 | 57% | 0.572 | 22% | 0.221 | S | C | * | . | trans | -101.6 | 76.5 | -177.7 | -69.6 | -12 | 0 | 0 | 0 | 110.3 | K848 | N725-K848 WeakPolarHBondContact OD1-CE 3.31Å; N725-K848 PolarHBondContact OD1-NZ 3.38Å; N725-K848 VanDerWaalsContact OD1-NZ 3.17Å | ||
| 726 | I | 73.3 | Confident | 81.5 | Confident | 21 Ų | 21 | 46.3 Ų | 46.3 | 11% | 0.108 | 24% | 0.241 | C | C | . | . | trans | -118.8 | 145.8 | 177.6 | -56.9 | 179.7 | 0 | 0 | 0 | 108.1 | V666 I720 R723 V730 | V666-I726 HydrophobicContact CG1-CD1 4.19Å; V666-I726 HydrophobicContact CG1-CG1 4.23Å; V666-I726 HydrophobicContact CG1-CG2 4.45Å; I720-I726 HydrophobicContact CG2-CD1 4.27Å; I720-I726 WeakPolarHBondContact O-CD1 3.41Å; R723-I726 HydrophobicContact CB-CD1 4.05Å; R723-I726 HydrophobicContact CB-CG1 3.93Å; R723-I726 VanDerWaalsContact O-CD1 3.3Å; R723-I726 WeakPolarHBondContact O-CD1 3.49Å; R723-I726 WeakPolarHBondContact O-CG1 3.31Å; I726-V730 HydrophobicContact CG2-CB 3.66Å; I726-V730 HydrophobicContact CG2-CG1 3.58Å; I726-V730 HydrophobicContact CG2-CG2 4.36Å | ||
| 727 | P | 80 | Confident | 81.6 | Confident | 82 Ų | 82 | 47.1 Ų | 47.1 | 53% | 0.532 | 25% | 0.245 | S | C | . | . | trans | -51.8 | 140.6 | 174.6 | -27 | 35 | 0 | 0 | 0 | 112.9 | S729 V730 L731 | P727-S729 VanDerWaalsContact C-N 3.25Å; P727-S729 PolarHBondContact O-N 3.04Å; P727-V730 HydrophobicContact CB-CG2 4.26Å; P727-V730 PolarHBondContact O-N 2.77Å; P727-V730 VanDerWaalsContact O-N 3.1Å; P727-L731 PolarHBondContact O-N 2.92Å | ||
| 728 | H | 79.2 | Confident | 81.8 | Confident | 126 Ų | 126 | 45.2 Ų | 45.2 | 58% | 0.583 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -56.3 | -36.7 | -176.6 | -171 | -67.2 | 0 | 0 | 0 | 113 | V730 L731 Q732 | H728-V730 PolarHBondContact O-N 3.28Å; H728-L731 PolarHBondContact O-N 2.95Å; H728-Q732 WeakPolarHBondContact O-CB 3.31Å; H728-Q732 PolarHBondContact O-N 3.28Å |
| 729 | S | 82.7 | Confident | 82 | Confident | 78 Ų | 78 | 46 Ų | 46 | 55% | 0.545 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 177.3 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | P727 S733 | P727-S729 VanDerWaalsContact C-N 3.25Å; P727-S729 PolarHBondContact O-N 3.04Å; S729-S733 WeakPolarHBondContact O-CB 3.2Å; S729-S733 PolarHBondContact O-N 3.31Å |
| 730 | V | 84.2 | Confident | 82.5 | Confident | 15 Ų | 15 | 47 Ų | 47 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.4 | -38.7 | 178.8 | 178 | 0 | 0 | 0 | 0 | 110.7 | V670 I720 I726 P727 H728 S733 Y734 | V670-V730 HydrophobicContact CG1-CG2 3.6Å; V670-V730 HydrophobicContact CG2-CG1 3.68Å; V670-V730 HydrophobicContact CG2-CG2 4.04Å; I720-V730 HydrophobicContact CG2-CG1 4.13Å; I726-V730 HydrophobicContact CG2-CB 3.66Å; I726-V730 HydrophobicContact CG2-CG1 3.58Å; I726-V730 HydrophobicContact CG2-CG2 4.36Å; P727-V730 HydrophobicContact CB-CG2 4.26Å; P727-V730 PolarHBondContact O-N 2.77Å; P727-V730 VanDerWaalsContact O-N 3.1Å; H728-V730 PolarHBondContact O-N 3.28Å; V730-S733 PolarHBondContact O-N 2.98Å; V730-Y734 WeakPolarHBondContact O-CB 3.34Å; V730-Y734 PolarHBondContact O-N 3.04Å |
| 731 | L | 83.9 | Confident | 83 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.3 | -38 | 179.1 | -174.7 | 58.9 | 0 | 0 | 0 | 111.9 | P727 H728 Y734 T735 R777 P778 V781 | P727-L731 PolarHBondContact O-N 2.92Å; H728-L731 PolarHBondContact O-N 2.95Å; L731-Y734 PolarHBondContact O-N 3.31Å; L731-T735 PolarHBondContact O-N 3.25Å; L731-T735 PolarHBondContact O-OG1 2.97Å; L731-R777 HydrophobicContact CD1-CG 4.26Å; L731-P778 HydrophobicContact CD2-CG 4.4Å; L731-V781 HydrophobicContact CD1-CG1 4.16Å; L731-V781 HydrophobicContact CD2-CB 4.1Å; L731-V781 HydrophobicContact CD2-CG1 4.18Å; L731-V781 HydrophobicContact CD2-CG2 3.4Å; L731-V781 HydrophobicContact CG-CB 4.35Å; L731-V781 HydrophobicContact CG-CG1 3.89Å; L731-V781 HydrophobicContact CG-CG2 3.85Å |
| 732 | Q | 85.3 | Confident | 83.7 | Confident | 78 Ų | 78 | 46.7 Ų | 46.7 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.6 | -50.1 | 171.4 | -175.7 | -178.8 | -14.1 | 0 | 0 | 110.5 | H728 Y734 T735 E736 | H728-Q732 WeakPolarHBondContact O-CB 3.31Å; H728-Q732 PolarHBondContact O-N 3.28Å; Q732-Y734 PolarHBondContact O-N 3.33Å; Q732-T735 WeakPolarHBondContact O-CA 3.33Å; Q732-T735 WeakPolarHBondContact O-CB 3.47Å; Q732-T735 PolarHBondContact O-N 3.24Å; Q732-E736 PolarHBondContact NE2-OE1 2.98Å; Q732-E736 VanDerWaalsContact NE2-OE1 3.14Å; Q732-E736 WeakPolarHBondContact O-CG 3.41Å; Q732-E736 PolarHBondContact O-N 3.26Å |
| 733 | S | 85.7 | Confident | 84.5 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 112.6 | S729 V730 T735 E736 H737 | S729-S733 WeakPolarHBondContact O-CB 3.2Å; S729-S733 PolarHBondContact O-N 3.31Å; V730-S733 PolarHBondContact O-N 2.98Å; S733-T735 VanDerWaalsContact C-N 3.27Å; S733-T735 PolarHBondContact O-N 3.16Å; S733-E736 PolarHBondContact O-N 3.19Å; S733-H737 PolarHBondContact O-N 3.29Å; S733-H737 PolarHBondContact O-ND1 3.48Å; S733-H737 PolarHBondContact OG-CE1 3.39Å |
| 734 | Y | 89.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.4 | -39.1 | 174.2 | -176.1 | -86.2 | 0 | 0 | 0 | 112.2 | Y715 F716 I720 V730 L731 Q732 A738 L770 M774 | Y715-Y734 AromaticContact CE1-CD2 3.85Å; Y715-Y734 HydrophobicContact CE1-CD2 3.85Å; Y715-Y734 HydrophobicContact CE1-CE2 4.17Å; Y715-Y734 AromaticContact CZ-CD2 3.8Å; F716-Y734 HydrophobicContact CD1-CE1 4.35Å; F716-Y734 AromaticContact CD1-CE2 3.84Å; F716-Y734 HydrophobicContact CD1-CE2 3.84Å; F716-Y734 AromaticContact CD1-CZ 3.73Å; F716-Y734 PolarHBondContact O-OH 2.97Å; I720-Y734 HydrophobicContact CG2-CD2 3.69Å; I720-Y734 HydrophobicContact CG2-CE2 4.26Å; I720-Y734 HydrophobicContact CG2-CG 4.47Å; V730-Y734 WeakPolarHBondContact O-CB 3.34Å; V730-Y734 PolarHBondContact O-N 3.04Å; L731-Y734 PolarHBondContact O-N 3.31Å; Q732-Y734 PolarHBondContact O-N 3.33Å; Y734-A738 WeakPolarHBondContact O-CB 3.22Å; Y734-A738 PolarHBondContact O-N 3.39Å; Y734-L770 HydrophobicContact CE1-CD1 4.41Å; Y734-M774 HydrophobicContact CD1-CE 4.19Å; Y734-M774 HydrophobicContact CE1-CE 4.18Å |
| 735 | T | 88.2 | Confident | 86.6 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.3 | -42.1 | 178 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | L731 Q732 S733 A738 L739 M774 V781 F785 | L731-T735 PolarHBondContact O-N 3.25Å; L731-T735 PolarHBondContact O-OG1 2.97Å; Q732-T735 WeakPolarHBondContact O-CA 3.33Å; Q732-T735 WeakPolarHBondContact O-CB 3.47Å; Q732-T735 PolarHBondContact O-N 3.24Å; S733-T735 VanDerWaalsContact C-N 3.27Å; S733-T735 PolarHBondContact O-N 3.16Å; T735-A738 WeakPolarHBondContact O-CB 3.32Å; T735-A738 PolarHBondContact O-N 3.47Å; T735-L739 HydrophobicContact CG2-CD1 4.48Å; T735-L739 WeakPolarHBondContact O-CG 3.4Å; T735-L739 PolarHBondContact O-N 3.24Å; T735-M774 HydrophobicContact CG2-CE 4.31Å; T735-V781 WeakPolarHBondContact OG1-CG1 3.43Å; T735-F785 HydrophobicContact CG2-CB 3.89Å; T735-F785 HydrophobicContact CG2-CD2 4.02Å; T735-F785 HydrophobicContact CG2-CG 4.44Å |
| 736 | E | 89.9 | Confident | 87.7 | Confident | 96 Ų | 96 | 37.6 Ų | 37.6 | 45% | 0.449 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 174.5 | -70.7 | 170.6 | -172 | 0 | 0 | 111.4 | Q732 S733 A738 L739 C740 | Q732-E736 PolarHBondContact NE2-OE1 2.98Å; Q732-E736 VanDerWaalsContact NE2-OE1 3.14Å; Q732-E736 WeakPolarHBondContact O-CG 3.41Å; Q732-E736 PolarHBondContact O-N 3.26Å; S733-E736 PolarHBondContact O-N 3.19Å; E736-A738 VanDerWaalsContact C-N 3.32Å; E736-A738 PolarHBondContact O-N 3.22Å; E736-L739 PolarHBondContact O-N 3.28Å; E736-C740 PolarHBondContact O-N 3.28Å; E736-C740 PolarHBondContact O-SG 2.83Å |
| 737 | H | 91.5 | Very high | 88.5 | Confident | 17 Ų | 17 | 41.4 Ų | 41.4 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.3 | -38.8 | 175.9 | -60.5 | 137.9 | 0 | 0 | 0 | 112.4 | P679 V680 I683 Y715 F716 S733 C740 F741 | P679-H737 HydrophobicContact CB-CB 4.47Å; V680-H737 WeakPolarHBondContact CG2-NE2 3.32Å; I683-H737 HydrophobicContact CD1-CB 4.26Å; Y715-H737 HydrophobicContact CE1-CB 4.21Å; Y715-H737 AromaticContact CE1-ND1 3.97Å; Y715-H737 AromaticContact CZ-ND1 3.8Å; Y715-H737 PolarHBondContact OH-ND1 3.3Å; Y715-H737 VanDerWaalsContact OH-ND1 3.11Å; F716-H737 HydrophobicContact CE1-CB 4.46Å; S733-H737 PolarHBondContact O-N 3.29Å; S733-H737 PolarHBondContact O-ND1 3.48Å; S733-H737 PolarHBondContact OG-CE1 3.39Å; H737-C740 PolarHBondContact O-N 3.29Å; H737-F741 PolarHBondContact O-N 3.2Å |
| 738 | A | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F716 Y734 T735 E736 F741 I742 L770 M774 F785 | F716-A738 HydrophobicContact CE1-CB 4.07Å; F716-A738 HydrophobicContact CZ-CB 4.38Å; Y734-A738 WeakPolarHBondContact O-CB 3.22Å; Y734-A738 PolarHBondContact O-N 3.39Å; T735-A738 WeakPolarHBondContact O-CB 3.32Å; T735-A738 PolarHBondContact O-N 3.47Å; E736-A738 VanDerWaalsContact C-N 3.32Å; E736-A738 PolarHBondContact O-N 3.22Å; A738-F741 PolarHBondContact O-N 3.44Å; A738-I742 VanDerWaalsContact O-CG1 3.29Å; A738-I742 WeakPolarHBondContact O-CG1 3.49Å; A738-I742 PolarHBondContact O-N 3.01Å; A738-L770 HydrophobicContact CB-CD1 3.63Å; A738-L770 HydrophobicContact CB-CD2 4.01Å; A738-L770 HydrophobicContact CB-CG 4.35Å; A738-M774 HydrophobicContact CB-CE 4.17Å; A738-F785 HydrophobicContact CB-CE2 3.98Å |
| 739 | L | 91.9 | Very high | 89.4 | Confident | 22 Ų | 22 | 31.6 Ų | 31.6 | 12% | 0.115 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 177.2 | -68.2 | 169.4 | 0 | 0 | 0 | 111.6 | T735 E736 F741 I742 E743 F785 E788 | T735-L739 HydrophobicContact CG2-CD1 4.48Å; T735-L739 WeakPolarHBondContact O-CG 3.4Å; T735-L739 PolarHBondContact O-N 3.24Å; E736-L739 PolarHBondContact O-N 3.28Å; L739-F741 VanDerWaalsContact C-N 3.33Å; L739-F741 PolarHBondContact O-N 2.9Å; L739-I742 PolarHBondContact O-N 3.43Å; L739-E743 PolarHBondContact O-N 2.83Å; L739-F785 HydrophobicContact CD2-CD2 3.77Å; L739-F785 HydrophobicContact CD2-CE2 3.78Å; L739-F785 HydrophobicContact CG-CD2 4Å; L739-F785 HydrophobicContact CG-CE2 4.16Å; L739-E788 HydrophobicContact CD1-CB 3.68Å; L739-E788 HydrophobicContact CD1-CG 4.19Å; L739-E788 HydrophobicContact CD2-CB 4.15Å |
| 740 | C | 92.3 | Very high | 89.5 | Confident | 49 Ų | 49 | 31.9 Ų | 31.9 | 33% | 0.331 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 174.7 | -68 | 0 | 0 | 0 | 0 | 112.4 | I683 E736 H737 | I683-C740 HydrophobicContact CD1-CB 3.86Å; I683-C740 HydrophobicContact CG2-CB 4.22Å; E736-C740 PolarHBondContact O-N 3.28Å; E736-C740 PolarHBondContact O-SG 2.83Å; H737-C740 PolarHBondContact O-N 3.29Å |
| 741 | F | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.3 | -43.8 | 175.6 | 175.2 | -108.7 | 0 | 0 | 0 | 111.9 | M686 I712 F716 H737 A738 L739 E743 L744 V745 L748 T763 C766 I767 L770 | M686-F741 HydrophobicContact CE-CE2 4.33Å; M686-F741 HydrophobicContact SD-CD2 4.5Å; M686-F741 HydrophobicContact SD-CE2 4.42Å; I712-F741 HydrophobicContact CD1-CB 4.12Å; I712-F741 HydrophobicContact CD1-CD2 3.76Å; I712-F741 HydrophobicContact CD1-CG 4.16Å; I712-F741 HydrophobicContact CG2-CD2 4.02Å; I712-F741 HydrophobicContact CG2-CE2 3.8Å; I712-F741 HydrophobicContact CG2-CZ 4.34Å; F716-F741 HydrophobicContact CE2-CB 4.12Å; F716-F741 AromaticContact CE2-CD1 3.96Å; F716-F741 HydrophobicContact CE2-CD1 3.96Å; F716-F741 HydrophobicContact CE2-CG 4.04Å; F716-F741 HydrophobicContact CZ-CB 4.07Å; F716-F741 HydrophobicContact CZ-CG 4.5Å; H737-F741 PolarHBondContact O-N 3.2Å; A738-F741 PolarHBondContact O-N 3.44Å; L739-F741 VanDerWaalsContact C-N 3.33Å; L739-F741 PolarHBondContact O-N 2.9Å; F741-E743 PolarHBondContact O-N 3.47Å; F741-L744 PolarHBondContact O-N 3.36Å; F741-V745 HydrophobicContact CE1-CG2 4.25Å; F741-V745 PolarHBondContact O-N 3.37Å; F741-L748 HydrophobicContact CE2-CD1 4.03Å; F741-T763 HydrophobicContact CZ-CG2 4.44Å; F741-C766 HydrophobicContact CE1-CB 4.09Å; F741-C766 VanDerWaalsContact CE1-SG 3.56Å; F741-C766 HydrophobicContact CZ-CB 3.92Å; F741-C766 VanDerWaalsContact CZ-SG 3.58Å; F741-I767 HydrophobicContact CE1-CG1 4.02Å; F741-L770 HydrophobicContact CD1-CD2 4.27Å |
| 742 | I | 91.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -33.4 | 178.6 | -74.6 | 172.2 | 0 | 0 | 0 | 112.3 | A738 L739 L744 V745 L770 I771 F785 L789 H793 T796 | A738-I742 VanDerWaalsContact O-CG1 3.29Å; A738-I742 WeakPolarHBondContact O-CG1 3.49Å; A738-I742 PolarHBondContact O-N 3.01Å; L739-I742 PolarHBondContact O-N 3.43Å; I742-L744 VanDerWaalsContact C-N 3.29Å; I742-L744 PolarHBondContact O-N 2.99Å; I742-V745 PolarHBondContact O-N 3.06Å; I742-L770 HydrophobicContact CD1-CD2 4.06Å; I742-L770 HydrophobicContact CG1-CD2 4.13Å; I742-I771 HydrophobicContact CD1-CD1 4.49Å; I742-F785 HydrophobicContact CD1-CE2 3.75Å; I742-F785 HydrophobicContact CD1-CZ 3.44Å; I742-F785 VanDerWaalsContact CD1-CZ 3.44Å; I742-L789 HydrophobicContact CD1-CD1 4Å; I742-L789 HydrophobicContact CG2-CD1 3.73Å; I742-H793 HydrophobicContact CG2-CB 3.96Å; I742-T796 HydrophobicContact CG2-CG2 3.95Å; I742-T796 WeakPolarHBondContact O-CG2 3.41Å; I742-T796 PolarHBondContact O-OG1 3.39Å |
| 743 | E | 91.9 | Very high | 89.4 | Confident | 112 Ų | 112 | 37 Ų | 37 | 52% | 0.523 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.9 | -32.3 | 175.1 | -166.6 | -176.5 | 160.8 | 0 | 0 | 112.9 | L739 F741 P746 | L739-E743 PolarHBondContact O-N 2.83Å; F741-E743 PolarHBondContact O-N 3.47Å; E743-P746 WeakPolarHBondContact O-CD 3.4Å |
| 744 | L | 92.4 | Very high | 89.2 | Confident | 8 Ų | 8 | 35.3 Ų | 35.3 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -82.1 | -20.4 | -178.9 | -58.1 | 178.3 | 0 | 0 | 0 | 113.4 | I683 M686 Q687 F741 I742 R747 L748 | I683-L744 HydrophobicContact CG2-CD1 4.09Å; M686-L744 HydrophobicContact CB-CD1 4.41Å; M686-L744 HydrophobicContact CG-CD1 4.36Å; M686-L744 HydrophobicContact SD-CD1 3.96Å; Q687-L744 HydrophobicContact CG-CD1 3.81Å; Q687-L744 HydrophobicContact CG-CD2 3.61Å; Q687-L744 HydrophobicContact CG-CG 4.34Å; F741-L744 PolarHBondContact O-N 3.36Å; I742-L744 VanDerWaalsContact C-N 3.29Å; I742-L744 PolarHBondContact O-N 2.99Å; L744-R747 WeakPolarHBondContact O-CB 3.27Å; L744-R747 PolarHBondContact O-N 3.31Å; L744-L748 HydrophobicContact CB-CD1 4.14Å; L744-L748 HydrophobicContact CB-CG 4.46Å; L744-L748 PolarHBondContact O-N 2.94Å |
| 745 | V | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -49.9 | -48.4 | -175.2 | 168.7 | 0 | 0 | 0 | 0 | 113.2 | F741 I742 R747 L748 V749 T763 I767 T796 | F741-V745 HydrophobicContact CE1-CG2 4.25Å; F741-V745 PolarHBondContact O-N 3.37Å; I742-V745 PolarHBondContact O-N 3.06Å; V745-R747 PolarHBondContact O-N 3.48Å; V745-L748 PolarHBondContact O-N 2.89Å; V745-L748 VanDerWaalsContact O-N 3.12Å; V745-V749 HydrophobicContact CG1-CG1 4.14Å; V745-V749 WeakPolarHBondContact O-CG2 3.29Å; V745-V749 PolarHBondContact O-N 2.95Å; V745-T763 HydrophobicContact CG1-CG2 4.25Å; V745-T763 HydrophobicContact CG2-CG2 4.22Å; V745-I767 HydrophobicContact CB-CD1 4.17Å; V745-I767 HydrophobicContact CG1-CD1 3.49Å; V745-I767 VanDerWaalsContact CG1-CD1 3.49Å; V745-I767 HydrophobicContact CG2-CD1 3.55Å; V745-I767 HydrophobicContact CG2-CG1 3.95Å; V745-T796 HydrophobicContact CB-CG2 3.7Å; V745-T796 HydrophobicContact CG1-CG2 3.7Å; V745-T796 HydrophobicContact CG2-CG2 4.34Å |
| 746 | P | 90.2 | Very high | 88 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.5 | -30.6 | 179.6 | -25.2 | 36.1 | 0 | 0 | 0 | 114 | E743 N750 T796 | E743-P746 WeakPolarHBondContact O-CD 3.4Å; P746-N750 WeakPolarHBondContact O-CB 3.47Å; P746-N750 PolarHBondContact O-ND2 2.87Å; P746-T796 WeakPolarHBondContact CG-OG1 3.37Å |
| 747 | R | 90 | Very high | 87.7 | Confident | 101 Ų | 101 | 44.1 Ų | 44.1 | 38% | 0.381 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -78.5 | -39 | 176.1 | -66.5 | 178.5 | 65.9 | -178.3 | 0.1 | 111.2 | L690 N691 L744 V745 N750 Q751 | L690-R747 VanDerWaalsContact C-NH2 3.28Å; L690-R747 HydrophobicContact CD1-CB 4.27Å; L690-R747 PolarHBondContact O-NH2 2.89Å; N691-R747 PolarHBondContact OD1-NH1 2.79Å; N691-R747 PolarHBondContact OD1-NH2 2.89Å; L744-R747 WeakPolarHBondContact O-CB 3.27Å; L744-R747 PolarHBondContact O-N 3.31Å; V745-R747 PolarHBondContact O-N 3.48Å; R747-N750 PolarHBondContact O-N 2.85Å; R747-Q751 PolarHBondContact O-NE2 2.8Å |
| 748 | L | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.1 | -47 | 179.4 | -68.5 | 168.6 | 0 | 0 | 0 | 112.4 | M686 L690 I709 F741 L744 V745 N750 Q751 L759 T763 | M686-L748 HydrophobicContact CG-CD2 4.11Å; M686-L748 HydrophobicContact SD-CD1 3.65Å; M686-L748 HydrophobicContact SD-CD2 3.85Å; M686-L748 HydrophobicContact SD-CG 4.28Å; L690-L748 HydrophobicContact CD1-CD2 3.87Å; L690-L748 HydrophobicContact CD1-CG 4.23Å; L690-L748 HydrophobicContact CD2-CD2 4.12Å; L690-L748 HydrophobicContact CG-CD2 4.38Å; I709-L748 HydrophobicContact CD1-CD2 4.28Å; F741-L748 HydrophobicContact CE2-CD1 4.03Å; L744-L748 HydrophobicContact CB-CD1 4.14Å; L744-L748 HydrophobicContact CB-CG 4.46Å; L744-L748 PolarHBondContact O-N 2.94Å; V745-L748 PolarHBondContact O-N 2.89Å; V745-L748 VanDerWaalsContact O-N 3.12Å; L748-N750 PolarHBondContact O-N 2.76Å; L748-Q751 WeakPolarHBondContact O-CG 3.32Å; L748-L759 VanDerWaalsContact O-CD2 3.28Å; L748-L759 WeakPolarHBondContact O-CD2 3.36Å; L748-T763 HydrophobicContact CB-CG2 4.21Å; L748-T763 HydrophobicContact CD1-CG2 4.26Å |
| 749 | V | 87.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -11.2 | -177.9 | -58.2 | 0 | 0 | 0 | 0 | 113.6 | V745 R760 T763 T799 M803 | V745-V749 HydrophobicContact CG1-CG1 4.14Å; V745-V749 WeakPolarHBondContact O-CG2 3.29Å; V745-V749 PolarHBondContact O-N 2.95Å; V749-R760 HydrophobicContact CB-CG 4.15Å; V749-R760 PolarHBondContact O-NE 2.74Å; V749-R760 PolarHBondContact O-NH2 3.36Å; V749-T763 HydrophobicContact CG1-CG2 3.87Å; V749-T799 HydrophobicContact CG2-CG2 3.6Å; V749-M803 HydrophobicContact CB-CE 3.96Å; V749-M803 HydrophobicContact CB-SD 4.26Å; V749-M803 HydrophobicContact CG2-CE 3.58Å; V749-M803 HydrophobicContact CG2-SD 4.43Å |
| 750 | N | 85.2 | Confident | 87 | Confident | 85 Ų | 85 | 47.2 Ų | 47.2 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 26.8 | -179.2 | -67.3 | -44.1 | 0 | 0 | 0 | 112.7 | P746 R747 L748 | P746-N750 WeakPolarHBondContact O-CB 3.47Å; P746-N750 PolarHBondContact O-ND2 2.87Å; R747-N750 PolarHBondContact O-N 2.85Å; L748-N750 PolarHBondContact O-N 2.76Å |
| 751 | Q | 86.4 | Confident | 86.8 | Confident | 25 Ų | 25 | 45.7 Ų | 45.7 | 12% | 0.117 | 22% | 0.218 | C | C | . | . | trans | -75.2 | 129 | 173.4 | -66.9 | -61.8 | -70.5 | 0 | 0 | 111.3 | L690 Y701 L705 R747 L748 C753 D754 L759 | L690-Q751 HydrophobicContact CD2-CG 4.29Å; Y701-Q751 PolarHBondContact OH-OE1 2.86Å; L705-Q751 HydrophobicContact CD1-CG 4.47Å; R747-Q751 PolarHBondContact O-NE2 2.8Å; L748-Q751 WeakPolarHBondContact O-CG 3.32Å; Q751-C753 PolarHBondContact O-N 2.88Å; Q751-D754 PolarHBondContact O-N 2.94Å; Q751-L759 HydrophobicContact CB-CD2 3.76Å; Q751-L759 HydrophobicContact CG-CD2 3.52Å | ||
| 752 | D | 81.9 | Confident | 86.6 | Confident | 158 Ų | 158 | 47.8 Ų | 47.8 | 85% | 0.845 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -21.1 | 179.4 | -66 | -37.6 | 0 | 0 | 0 | 113.3 | D754 | D752-D754 VanDerWaalsContact C-N 3.32Š|
| 753 | C | 82.6 | Confident | 86.6 | Confident | 31 Ų | 31 | 47.8 Ų | 47.8 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -23 | 177.5 | 65.1 | 0 | 0 | 0 | 0 | 113.2 | Y701 Q751 K755 | Y701-C753 HydrophobicContact CD1-CB 4.35Å; Q751-C753 PolarHBondContact O-N 2.88Å; C753-K755 PolarHBondContact O-N 3.11Å |
| 754 | D | 82.2 | Confident | 86.5 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | trans | -76.7 | 57.3 | -173.2 | -171.3 | 31.8 | 0 | 0 | 0 | 113 | Q751 D752 E756 L757 H758 L759 R760 | Q751-D754 PolarHBondContact O-N 2.94Å; D752-D754 VanDerWaalsContact C-N 3.32Å; D754-E756 VanDerWaalsContact C-N 3.34Å; D754-E756 PolarHBondContact O-N 2.93Å; D754-L757 VanDerWaalsContact CG-CA 3.48Å; D754-L757 PolarHBondContact O-N 3.37Å; D754-L757 WeakPolarHBondContact OD1-CA 3.19Å; D754-L757 PolarHBondContact OD1-N 2.82Å; D754-L757 WeakPolarHBondContact OD2-CA 3.46Å; D754-H758 PolarHBondContact OD1-N 3.48Å; D754-L759 HydrophobicContact CB-CB 3.92Å; D754-L759 WeakPolarHBondContact OD1-CB 3.45Å; D754-L759 PolarHBondContact OD1-N 3.07Å; D754-L759 WeakPolarHBondContact OD2-CB 3.16Å; D754-L759 PolarHBondContact OD2-N 3.1Å; D754-R760 WeakPolarHBondContact OD2-CB 3.35Å; D754-R760 WeakPolarHBondContact OD2-CG 3.48Å; D754-R760 PolarHBondContact OD2-N 3.26Å | ||
| 755 | K | 77.3 | Confident | 86.3 | Confident | 167 Ų | 167 | 43.2 Ų | 43.2 | 73% | 0.726 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -34.8 | -177 | -66.3 | -179.3 | -178.2 | 175.5 | 0 | 112.4 | C753 L757 | C753-K755 PolarHBondContact O-N 3.11Å; K755-L757 VanDerWaalsContact C-N 3.33Å |
| 756 | E | 75.1 | Confident | 86.3 | Confident | 117 Ų | 117 | 43.2 Ų | 43.2 | 55% | 0.547 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 4.3 | 177.6 | -64.4 | -168 | -175.4 | 0 | 0 | 113.2 | D754 H758 R818 | D754-E756 VanDerWaalsContact C-N 3.34Å; D754-E756 PolarHBondContact O-N 2.93Å; E756-H758 PolarHBondContact O-N 3.37Å; E756-H758 IonicContact OE2-CD2 3.66Å; E756-H758 IonicContact OE2-NE2 3.13Å; E756-H758 PolarHBondContact OE2-NE2 3.36Å; E756-R818 WeakPolarHBondContact O-CD 3.41Å; E756-R818 PolarHBondContact O-NH1 2.82Å; E756-R818 IonicContact OE2-NH1 3.86Å |
| 757 | L | 83.6 | Confident | 86.3 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 61.2 | 18.6 | 177.4 | -44.9 | 172.2 | 0 | 0 | 0 | 115.5 | D754 K755 D761 L811 L819 I822 | D754-L757 VanDerWaalsContact CG-CA 3.48Å; D754-L757 PolarHBondContact O-N 3.37Å; D754-L757 WeakPolarHBondContact OD1-CA 3.19Å; D754-L757 PolarHBondContact OD1-N 2.82Å; D754-L757 WeakPolarHBondContact OD2-CA 3.46Å; K755-L757 VanDerWaalsContact C-N 3.33Å; L757-D761 WeakPolarHBondContact O-CB 3.43Å; L757-D761 PolarHBondContact O-N 3.38Å; L757-L811 HydrophobicContact CD1-CD1 3.77Å; L757-L811 HydrophobicContact CD1-CD2 4.39Å; L757-L811 HydrophobicContact CD2-CD2 4.21Å; L757-L811 HydrophobicContact CG-CD2 4.36Å; L757-L819 HydrophobicContact CD1-CD1 4.33Å; L757-I822 HydrophobicContact CB-CD1 3.25Å; L757-I822 HydrophobicContact CD1-CD1 3.59Å; L757-I822 HydrophobicContact CG-CD1 4.01Å |
| 758 | H | 84.7 | Confident | 86.1 | Confident | 56 Ų | 56 | 39.6 Ų | 39.6 | 26% | 0.259 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62 | -43.5 | 177.2 | -84 | -68.1 | 0 | 0 | 0 | 111.9 | L706 D754 E756 D761 Q762 R818 | L706-H758 HydrophobicContact CD1-CB 3.81Å; L706-H758 HydrophobicContact CD2-CB 4.04Å; D754-H758 PolarHBondContact OD1-N 3.48Å; E756-H758 PolarHBondContact O-N 3.37Å; E756-H758 IonicContact OE2-CD2 3.66Å; E756-H758 IonicContact OE2-NE2 3.13Å; E756-H758 PolarHBondContact OE2-NE2 3.36Å; H758-D761 PolarHBondContact O-N 3.08Å; H758-Q762 WeakPolarHBondContact O-CG 3.47Å; H758-Q762 PolarHBondContact O-N 2.9Å; H758-R818 PolarHBondContact CD2-NH1 3.37Å; H758-R818 PolarHBondContact CE1-NH1 3.35Å; H758-R818 PolarHBondContact CE1-NH2 3.06Å; H758-R818 VanDerWaalsContact CG-NH1 3.32Å; H758-R818 PolarHBondContact ND1-NH1 2.92Å; H758-R818 PolarHBondContact NE2-NH1 3.37Å; H758-R818 PolarHBondContact NE2-NH2 3.37Å |
| 759 | L | 87.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | -175.9 | -164.8 | 72.2 | 0 | 0 | 0 | 110.5 | L705 L706 I709 L748 Q751 D754 T763 | L705-L759 HydrophobicContact CB-CD1 3.77Å; L705-L759 HydrophobicContact CD1-CD2 4.22Å; L706-L759 HydrophobicContact CD2-CB 4.38Å; L706-L759 HydrophobicContact CD2-CD1 3.97Å; L706-L759 HydrophobicContact CG-CD1 4.04Å; I709-L759 HydrophobicContact CD1-CD1 3.35Å; I709-L759 HydrophobicContact CD1-CG 4.11Å; L748-L759 VanDerWaalsContact O-CD2 3.28Å; L748-L759 WeakPolarHBondContact O-CD2 3.36Å; Q751-L759 HydrophobicContact CB-CD2 3.76Å; Q751-L759 HydrophobicContact CG-CD2 3.52Å; D754-L759 HydrophobicContact CB-CB 3.92Å; D754-L759 WeakPolarHBondContact OD1-CB 3.45Å; D754-L759 PolarHBondContact OD1-N 3.07Å; D754-L759 WeakPolarHBondContact OD2-CB 3.16Å; D754-L759 PolarHBondContact OD2-N 3.1Å; L759-T763 VanDerWaalsContact O-CB 3.26Å; L759-T763 WeakPolarHBondContact O-CB 3.16Å; L759-T763 PolarHBondContact O-N 3.06Å; L759-T763 PolarHBondContact O-OG1 3.41Å |
| 760 | R | 88.4 | Confident | 85.9 | Confident | 48 Ų | 48 | 42.7 Ų | 42.7 | 18% | 0.181 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57 | -50.2 | 172.1 | -79.6 | 166.3 | 178 | 160.3 | 7.1 | 112.1 | V749 D754 T763 L764 I822 | V749-R760 HydrophobicContact CB-CG 4.15Å; V749-R760 PolarHBondContact O-NE 2.74Å; V749-R760 PolarHBondContact O-NH2 3.36Å; D754-R760 WeakPolarHBondContact OD2-CB 3.35Å; D754-R760 WeakPolarHBondContact OD2-CG 3.48Å; D754-R760 PolarHBondContact OD2-N 3.26Å; R760-T763 PolarHBondContact O-N 2.95Å; R760-L764 WeakPolarHBondContact O-CB 3.27Å; R760-L764 VanDerWaalsContact O-CG 3.25Å; R760-L764 WeakPolarHBondContact O-CG 3.44Å; R760-L764 PolarHBondContact O-N 3.18Å; R760-I822 HydrophobicContact CB-CD1 4.31Å |
| 761 | D | 87.5 | Confident | 86 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.9 | -52.1 | -178.9 | 179.7 | 45.1 | 0 | 0 | 0 | 111.9 | L757 H758 T763 L764 L765 I822 H825 | L757-D761 WeakPolarHBondContact O-CB 3.43Å; L757-D761 PolarHBondContact O-N 3.38Å; H758-D761 PolarHBondContact O-N 3.08Å; D761-T763 PolarHBondContact O-N 3.33Å; D761-L764 PolarHBondContact O-N 3.17Å; D761-L765 WeakPolarHBondContact O-CB 3.47Å; D761-L765 PolarHBondContact O-N 3.35Å; D761-I822 HydrophobicContact CB-CD1 4.43Å; D761-I822 HydrophobicContact CB-CG1 3.97Å; D761-H825 IonicContact OD1-CE1 3.38Å; D761-H825 PolarHBondContact OD1-CE1 2.89Å; D761-H825 IonicContact OD1-CG 4Å; D761-H825 IonicContact OD1-ND1 2.78Å; D761-H825 PolarHBondContact OD1-ND1 2.86Å |
| 762 | Q | 89.9 | Confident | 85.5 | Confident | 45 Ų | 45 | 39.9 Ų | 39.9 | 21% | 0.21 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.9 | -34.6 | -179.5 | -64.9 | -55.2 | -60 | 0 | 0 | 113 | L706 I709 H758 L765 C766 | L706-Q762 HydrophobicContact CD2-CB 4.13Å; L706-Q762 HydrophobicContact CD2-CG 3.91Å; I709-Q762 HydrophobicContact CG2-CB 4.16Å; H758-Q762 WeakPolarHBondContact O-CG 3.47Å; H758-Q762 PolarHBondContact O-N 2.9Å; Q762-L765 PolarHBondContact O-N 2.97Å; Q762-C766 WeakPolarHBondContact O-CB 3.31Å; Q762-C766 PolarHBondContact O-N 3.31Å |
| 763 | T | 92.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -47 | 174.9 | -57.6 | 0 | 0 | 0 | 0 | 111 | F741 V745 L748 V749 L759 R760 D761 L765 C766 I767 | F741-T763 HydrophobicContact CZ-CG2 4.44Å; V745-T763 HydrophobicContact CG1-CG2 4.25Å; V745-T763 HydrophobicContact CG2-CG2 4.22Å; L748-T763 HydrophobicContact CB-CG2 4.21Å; L748-T763 HydrophobicContact CD1-CG2 4.26Å; V749-T763 HydrophobicContact CG1-CG2 3.87Å; L759-T763 VanDerWaalsContact O-CB 3.26Å; L759-T763 WeakPolarHBondContact O-CB 3.16Å; L759-T763 PolarHBondContact O-N 3.06Å; L759-T763 PolarHBondContact O-OG1 3.41Å; R760-T763 PolarHBondContact O-N 2.95Å; D761-T763 PolarHBondContact O-N 3.33Å; T763-L765 VanDerWaalsContact C-N 3.34Å; T763-L765 PolarHBondContact O-N 3.14Å; T763-C766 WeakPolarHBondContact O-CB 3.27Å; T763-C766 PolarHBondContact O-N 3.46Å; T763-I767 HydrophobicContact CG2-CD1 4.19Å; T763-I767 WeakPolarHBondContact O-CG1 3.41Å; T763-I767 PolarHBondContact O-N 3.39Å |
| 764 | L | 90.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 178.8 | -69.6 | 170.9 | 0 | 0 | 0 | 111.9 | R760 D761 I767 R768 L800 I822 H825 A826 | R760-L764 WeakPolarHBondContact O-CB 3.27Å; R760-L764 VanDerWaalsContact O-CG 3.25Å; R760-L764 WeakPolarHBondContact O-CG 3.44Å; R760-L764 PolarHBondContact O-N 3.18Å; D761-L764 PolarHBondContact O-N 3.17Å; L764-I767 PolarHBondContact O-N 3.27Å; L764-R768 WeakPolarHBondContact O-CB 3.43Å; L764-R768 PolarHBondContact O-N 2.93Å; L764-L800 HydrophobicContact CD2-CD2 3.35Å; L764-I822 HydrophobicContact CD1-CB 4.46Å; L764-I822 HydrophobicContact CD1-CG2 3.78Å; L764-H825 HydrophobicContact CB-CB 3.83Å; L764-H825 HydrophobicContact CD1-CB 4.49Å; L764-A826 HydrophobicContact CD1-CB 4.02Å; L764-A826 HydrophobicContact CD2-CB 4.24Å |
| 765 | L | 87.6 | Confident | 84.9 | Confident | 24 Ų | 24 | 32.3 Ų | 32.3 | 13% | 0.126 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 175.1 | -172 | 64.8 | 0 | 0 | 0 | 111.7 | D761 Q762 T763 R768 Y769 | D761-L765 WeakPolarHBondContact O-CB 3.47Å; D761-L765 PolarHBondContact O-N 3.35Å; Q762-L765 PolarHBondContact O-N 2.97Å; T763-L765 VanDerWaalsContact C-N 3.34Å; T763-L765 PolarHBondContact O-N 3.14Å; L765-R768 PolarHBondContact O-N 2.92Å; L765-Y769 HydrophobicContact CD1-CD2 4.1Å; L765-Y769 HydrophobicContact CD1-CE2 3.37Å; L765-Y769 HydrophobicContact CD2-CE2 3.95Å; L765-Y769 HydrophobicContact CG-CD2 3.89Å; L765-Y769 HydrophobicContact CG-CE2 3.39Å; L765-Y769 WeakPolarHBondContact O-CD2 3.48Å; L765-Y769 PolarHBondContact O-N 3.17Å |
| 766 | C | 91.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.3 | -172.4 | 0 | 0 | 0 | 0 | 112 | I709 N713 F741 Q762 T763 Y769 L770 | I709-C766 HydrophobicContact CG2-CB 4.3Å; N713-C766 HydrophobicContact CB-CB 4.1Å; F741-C766 HydrophobicContact CE1-CB 4.09Å; F741-C766 VanDerWaalsContact CE1-SG 3.56Å; F741-C766 HydrophobicContact CZ-CB 3.92Å; F741-C766 VanDerWaalsContact CZ-SG 3.58Å; Q762-C766 WeakPolarHBondContact O-CB 3.31Å; Q762-C766 PolarHBondContact O-N 3.31Å; T763-C766 WeakPolarHBondContact O-CB 3.27Å; T763-C766 PolarHBondContact O-N 3.46Å; C766-Y769 PolarHBondContact O-N 3.32Å; C766-L770 VanDerWaalsContact O-CB 3.24Å; C766-L770 WeakPolarHBondContact O-CB 3.49Å; C766-L770 PolarHBondContact O-N 2.97Å |
| 767 | I | 90.9 | Very high | 84.2 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63 | -47.3 | 176.9 | -66 | 165.1 | 0 | 0 | 0 | 110.6 | F741 V745 T763 L764 Y769 L770 I771 L800 A829 F833 | F741-I767 HydrophobicContact CE1-CG1 4.02Å; V745-I767 HydrophobicContact CB-CD1 4.17Å; V745-I767 HydrophobicContact CG1-CD1 3.49Å; V745-I767 VanDerWaalsContact CG1-CD1 3.49Å; V745-I767 HydrophobicContact CG2-CD1 3.55Å; V745-I767 HydrophobicContact CG2-CG1 3.95Å; T763-I767 HydrophobicContact CG2-CD1 4.19Å; T763-I767 WeakPolarHBondContact O-CG1 3.41Å; T763-I767 PolarHBondContact O-N 3.39Å; L764-I767 PolarHBondContact O-N 3.27Å; I767-Y769 PolarHBondContact O-N 2.92Å; I767-L770 PolarHBondContact O-N 3.1Å; I767-I771 HydrophobicContact CG2-CG1 4.27Å; I767-I771 WeakPolarHBondContact O-CG1 3.28Å; I767-I771 PolarHBondContact O-N 3.11Å; I767-L800 HydrophobicContact CD1-CD1 4.5Å; I767-L800 HydrophobicContact CD1-CD2 4.04Å; I767-L800 HydrophobicContact CG2-CD1 4.37Å; I767-A829 HydrophobicContact CG2-CB 4.22Å; I767-F833 HydrophobicContact CG2-CE2 3.61Å; I767-F833 HydrophobicContact CG2-CZ 3.92Å |
| 768 | R | 84.9 | Confident | 83.6 | Confident | 50 Ų | 50 | 23.9 Ų | 23.9 | 19% | 0.189 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54.1 | -52.8 | 178.4 | 176.2 | -173.1 | 170.7 | 171.8 | 2.8 | 110.8 | L764 L765 L770 I771 E772 A828 A829 | L764-R768 WeakPolarHBondContact O-CB 3.43Å; L764-R768 PolarHBondContact O-N 2.93Å; L765-R768 PolarHBondContact O-N 2.92Å; R768-L770 PolarHBondContact O-N 3.1Å; R768-I771 PolarHBondContact O-N 3.5Å; R768-E772 HydrophobicContact CG-CG 4.46Å; R768-E772 WeakPolarHBondContact CG-OE1 3.47Å; R768-E772 IonicContact CZ-OE1 3.53Å; R768-E772 IonicContact NE-OE1 3.66Å; R768-E772 PolarHBondContact NE-OE1 3.17Å; R768-E772 IonicContact NH2-OE1 2.78Å; R768-E772 PolarHBondContact NH2-OE1 3.15Å; R768-E772 WeakPolarHBondContact O-CB 3.22Å; R768-E772 VanDerWaalsContact O-CG 3.3Å; R768-E772 WeakPolarHBondContact O-CG 3.28Å; R768-E772 PolarHBondContact O-N 2.88Å; R768-A828 HydrophobicContact CG-CB 4.46Å; R768-A829 HydrophobicContact CB-CB 4.48Å |
| 769 | Y | 85.2 | Confident | 82.6 | Confident | 65 Ų | 65 | 23.1 Ų | 23.1 | 26% | 0.255 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -65.8 | -38.5 | -179.6 | -68.7 | -45.1 | 0 | 0 | 0 | 112.9 | V717 L765 C766 I767 I771 E772 R773 I1051 | V717-Y769 HydrophobicContact CG2-CD2 4.44Å; V717-Y769 HydrophobicContact CG2-CG 4.3Å; L765-Y769 HydrophobicContact CD1-CD2 4.1Å; L765-Y769 HydrophobicContact CD1-CE2 3.37Å; L765-Y769 HydrophobicContact CD2-CE2 3.95Å; L765-Y769 HydrophobicContact CG-CD2 3.89Å; L765-Y769 HydrophobicContact CG-CE2 3.39Å; L765-Y769 WeakPolarHBondContact O-CD2 3.48Å; L765-Y769 PolarHBondContact O-N 3.17Å; C766-Y769 PolarHBondContact O-N 3.32Å; I767-Y769 PolarHBondContact O-N 2.92Å; Y769-I771 PolarHBondContact O-N 2.95Å; Y769-E772 PolarHBondContact O-N 2.85Å; Y769-R773 WeakPolarHBondContact O-CB 3.44Å; Y769-R773 VanDerWaalsContact O-CG 3.29Å; Y769-R773 WeakPolarHBondContact O-CG 3.19Å; Y769-R773 PolarHBondContact O-N 3.08Å; Y769-I1051 HydrophobicContact CE1-CD1 4.34Å |
| 770 | L | 89.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.2 | -49.1 | 175 | 170.7 | 63.5 | 0 | 0 | 0 | 111.5 | F716 Y734 A738 F741 I742 C766 I767 R768 R773 M774 | F716-L770 HydrophobicContact CB-CD1 4.43Å; F716-L770 HydrophobicContact CD1-CD1 3.59Å; F716-L770 HydrophobicContact CD2-CB 4.47Å; F716-L770 HydrophobicContact CD2-CD1 4.24Å; F716-L770 HydrophobicContact CE1-CD1 3.79Å; F716-L770 HydrophobicContact CE2-CD1 4.41Å; F716-L770 HydrophobicContact CE2-CD2 4.36Å; F716-L770 HydrophobicContact CG-CD1 3.84Å; F716-L770 HydrophobicContact CZ-CD1 4.21Å; F716-L770 HydrophobicContact CZ-CD2 4.44Å; Y734-L770 HydrophobicContact CE1-CD1 4.41Å; A738-L770 HydrophobicContact CB-CD1 3.63Å; A738-L770 HydrophobicContact CB-CD2 4.01Å; A738-L770 HydrophobicContact CB-CG 4.35Å; F741-L770 HydrophobicContact CD1-CD2 4.27Å; I742-L770 HydrophobicContact CD1-CD2 4.06Å; I742-L770 HydrophobicContact CG1-CD2 4.13Å; C766-L770 VanDerWaalsContact O-CB 3.24Å; C766-L770 WeakPolarHBondContact O-CB 3.49Å; C766-L770 PolarHBondContact O-N 2.97Å; I767-L770 PolarHBondContact O-N 3.1Å; R768-L770 PolarHBondContact O-N 3.1Å; L770-R773 PolarHBondContact O-N 3.31Å; L770-M774 WeakPolarHBondContact O-CB 3.46Å; L770-M774 PolarHBondContact O-N 3.44Å |
| 771 | I | 86.4 | Confident | 81 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71.6 | -41.2 | -178.1 | -58 | -56.6 | 0 | 0 | 0 | 111.4 | I742 I767 R768 Y769 R773 M774 V775 F785 A832 F833 | I742-I771 HydrophobicContact CD1-CD1 4.49Å; I767-I771 HydrophobicContact CG2-CG1 4.27Å; I767-I771 WeakPolarHBondContact O-CG1 3.28Å; I767-I771 PolarHBondContact O-N 3.11Å; R768-I771 PolarHBondContact O-N 3.5Å; Y769-I771 PolarHBondContact O-N 2.95Å; I771-R773 PolarHBondContact O-N 3.48Å; I771-M774 PolarHBondContact O-N 2.96Å; I771-M774 VanDerWaalsContact O-N 3.15Å; I771-V775 HydrophobicContact CG2-CG2 4.19Å; I771-V775 WeakPolarHBondContact O-CG2 3.34Å; I771-V775 PolarHBondContact O-N 3.26Å; I771-F785 HydrophobicContact CD1-CE1 3.69Å; I771-F785 HydrophobicContact CD1-CZ 3.62Å; I771-A832 HydrophobicContact CB-CB 4.06Å; I771-A832 HydrophobicContact CG2-CB 3.7Å; I771-A832 WeakPolarHBondContact CG2-O 3.41Å; I771-F833 HydrophobicContact CD1-CD1 3.97Å; I771-F833 HydrophobicContact CD1-CE1 3.27Å; I771-F833 HydrophobicContact CD1-CE2 4.39Å; I771-F833 HydrophobicContact CD1-CZ 3.52Å; I771-F833 HydrophobicContact CG1-CD1 4.12Å; I771-F833 HydrophobicContact CG1-CD2 4.37Å; I771-F833 HydrophobicContact CG1-CE1 3.64Å; I771-F833 HydrophobicContact CG1-CE2 3.9Å; I771-F833 HydrophobicContact CG1-CG 4.46Å; I771-F833 HydrophobicContact CG1-CZ 3.52Å; I771-F833 HydrophobicContact CG2-CD1 4.41Å |
| 772 | E | 76.6 | Confident | 80.4 | Confident | 52 Ų | 52 | 23.3 Ų | 23.3 | 24% | 0.243 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.4 | -39.6 | 173.1 | -75.7 | 176.1 | -177.5 | 0 | 0 | 111.2 | R768 Y769 | R768-E772 HydrophobicContact CG-CG 4.46Å; R768-E772 WeakPolarHBondContact CG-OE1 3.47Å; R768-E772 IonicContact CZ-OE1 3.53Å; R768-E772 IonicContact NE-OE1 3.66Å; R768-E772 PolarHBondContact NE-OE1 3.17Å; R768-E772 IonicContact NH2-OE1 2.78Å; R768-E772 PolarHBondContact NH2-OE1 3.15Å; R768-E772 WeakPolarHBondContact O-CB 3.22Å; R768-E772 VanDerWaalsContact O-CG 3.3Å; R768-E772 WeakPolarHBondContact O-CG 3.28Å; R768-E772 PolarHBondContact O-N 2.88Å; Y769-E772 PolarHBondContact O-N 2.85Å |
| 773 | R | 78.5 | Confident | 79.7 | Confident | 17 Ų | 17 | 24 Ų | 24 | 6% | 0.064 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -76 | -36.2 | 174.8 | -68.5 | -65.2 | 97.8 | 121.4 | -5.3 | 113.8 | Y769 L770 I771 E776 | Y769-R773 WeakPolarHBondContact O-CB 3.44Å; Y769-R773 VanDerWaalsContact O-CG 3.29Å; Y769-R773 WeakPolarHBondContact O-CG 3.19Å; Y769-R773 PolarHBondContact O-N 3.08Å; L770-R773 PolarHBondContact O-N 3.31Å; I771-R773 PolarHBondContact O-N 3.48Å; R773-E776 IonicContact CZ-OE1 2.75Å; R773-E776 IonicContact NE-OE1 2.81Å; R773-E776 PolarHBondContact NE-OE1 3.22Å; R773-E776 IonicContact NH2-OE1 3.68Å; R773-E776 PolarHBondContact NH2-OE1 2.85Å; R773-E776 PolarHBondContact O-N 3.32Å |
| 774 | M | 82.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.9 | -40 | -178.6 | -174.5 | 58.3 | 75.4 | 0 | 0 | 112 | Y734 T735 A738 L770 I771 E776 R777 V781 V782 F785 | Y734-M774 HydrophobicContact CD1-CE 4.19Å; Y734-M774 HydrophobicContact CE1-CE 4.18Å; T735-M774 HydrophobicContact CG2-CE 4.31Å; A738-M774 HydrophobicContact CB-CE 4.17Å; L770-M774 WeakPolarHBondContact O-CB 3.46Å; L770-M774 PolarHBondContact O-N 3.44Å; I771-M774 PolarHBondContact O-N 2.96Å; I771-M774 VanDerWaalsContact O-N 3.15Å; M774-E776 PolarHBondContact O-N 2.82Å; M774-R777 VanDerWaalsContact O-CB 3.31Å; M774-R777 WeakPolarHBondContact O-CB 3.35Å; M774-R777 WeakPolarHBondContact O-CG 3.17Å; M774-R777 PolarHBondContact O-N 3.24Å; M774-R777 VanDerWaalsContact O-N 3.11Å; M774-R777 HydrophobicContact SD-CG 4.12Å; M774-V781 HydrophobicContact SD-CG1 4.38Å; M774-V782 VanDerWaalsContact O-CG2 3.32Å; M774-V782 WeakPolarHBondContact O-CG2 3.41Å; M774-F785 HydrophobicContact CE-CB 4.43Å; M774-F785 HydrophobicContact CE-CD2 3.76Å; M774-F785 HydrophobicContact CE-CE2 4.15Å; M774-F785 HydrophobicContact CE-CG 4.03Å; M774-F785 HydrophobicContact CG-CB 4.28Å; M774-F785 HydrophobicContact CG-CD1 3.61Å; M774-F785 HydrophobicContact CG-CD2 4.36Å; M774-F785 HydrophobicContact CG-CE1 3.97Å; M774-F785 HydrophobicContact CG-CG 3.82Å; M774-F785 HydrophobicContact CG-CZ 4.45Å; M774-F785 HydrophobicContact SD-CB 4.14Å; M774-F785 HydrophobicContact SD-CD1 4.5Å; M774-F785 HydrophobicContact SD-CD2 4.45Å; M774-F785 HydrophobicContact SD-CG 4.11Å |
| 775 | V | 72.2 | Confident | 79 | Confident | 17 Ų | 17 | 28 Ų | 28 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.7 | 179 | 172.3 | 0 | 0 | 0 | 0 | 112.4 | I771 F786 L837 V840 | I771-V775 HydrophobicContact CG2-CG2 4.19Å; I771-V775 WeakPolarHBondContact O-CG2 3.34Å; I771-V775 PolarHBondContact O-N 3.26Å; V775-F786 HydrophobicContact CG2-CE2 4.32Å; V775-F786 HydrophobicContact CG2-CZ 4.26Å; V775-L837 HydrophobicContact CB-CD2 4.3Å; V775-L837 HydrophobicContact CG1-CD2 3.73Å; V775-L837 HydrophobicContact CG2-CD2 4.06Å; V775-V840 HydrophobicContact CG1-CG2 3.76Å |
| 776 | E | 67.4 | Low | 78.8 | Confident | 39 Ų | 39 | 27 Ų | 27 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -2.8 | 175.5 | -64.3 | -173.9 | -133 | 0 | 0 | 114.5 | Q724 R773 M774 R1048 | Q724-E776 PolarHBondContact NE2-O 3.17Å; R773-E776 IonicContact CZ-OE1 2.75Å; R773-E776 IonicContact NE-OE1 2.81Å; R773-E776 PolarHBondContact NE-OE1 3.22Å; R773-E776 IonicContact NH2-OE1 3.68Å; R773-E776 PolarHBondContact NH2-OE1 2.85Å; R773-E776 PolarHBondContact O-N 3.32Å; M774-E776 PolarHBondContact O-N 2.82Å; E776-R1048 IonicContact OE2-CZ 3.33Å; E776-R1048 IonicContact OE2-NE 3.52Å; E776-R1048 PolarHBondContact OE2-NE 2.8Å; E776-R1048 IonicContact OE2-NH2 3.54Å; E776-R1048 PolarHBondContact OE2-NH2 3.26Å |
| 777 | R | 71.3 | Confident | 78.4 | Confident | 16 Ų | 16 | 30 Ų | 30 | 6% | 0.06 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -81.9 | 163.6 | -177.1 | -60.8 | -57.7 | -171.2 | 163.9 | 12 | 113.3 | I720 G721 R723 L731 M774 V782 | I720-R777 VanDerWaalsContact O-CZ 3.28Å; I720-R777 PolarHBondContact O-NH1 2.68Å; I720-R777 PolarHBondContact O-NH2 3.47Å; G721-R777 PolarHBondContact O-NH2 3.1Å; R723-R777 PolarHBondContact O-NH1 3Å; L731-R777 HydrophobicContact CD1-CG 4.26Å; M774-R777 VanDerWaalsContact O-CB 3.31Å; M774-R777 WeakPolarHBondContact O-CB 3.35Å; M774-R777 WeakPolarHBondContact O-CG 3.17Å; M774-R777 PolarHBondContact O-N 3.24Å; M774-R777 VanDerWaalsContact O-N 3.11Å; M774-R777 HydrophobicContact SD-CG 4.12Å; R777-V782 HydrophobicContact CB-CG2 3.97Å; R777-V782 WeakPolarHBondContact O-CG2 3.42Å |
| 778 | P | 69.4 | Low | 78.1 | Confident | 54 Ų | 54 | 32.4 Ų | 32.4 | 35% | 0.351 | 17% | 0.169 | S | C | . | . | trans | -52 | 141.5 | 173.2 | -26.1 | 35 | 0 | 0 | 0 | 112.3 | L731 A780 V781 V782 | L731-P778 HydrophobicContact CD2-CG 4.4Å; P778-A780 VanDerWaalsContact C-N 3.26Å; P778-A780 PolarHBondContact O-N 2.78Å; P778-A780 VanDerWaalsContact O-N 3.1Å; P778-V781 PolarHBondContact O-N 3.43Å; P778-V782 PolarHBondContact O-N 3.41Å | ||
| 779 | S | 63.8 | Low | 78.2 | Confident | 40 Ų | 40 | 30 Ų | 30 | 28% | 0.28 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -53.1 | -38.3 | -170 | 57 | 0 | 0 | 0 | 0 | 114.2 | V781 V782 E783 | S779-V781 VanDerWaalsContact C-N 3.34Å; S779-V781 PolarHBondContact O-N 2.88Å; S779-V782 PolarHBondContact O-N 3.07Å; S779-E783 WeakPolarHBondContact O-CG 3.32Å; S779-E783 PolarHBondContact O-N 2.82Å |
| 780 | A | 68.1 | Low | 78.1 | Confident | 61 Ų | 61 | 31.3 Ų | 31.3 | 50% | 0.504 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.3 | -36 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P778 E783 E784 | P778-A780 VanDerWaalsContact C-N 3.26Å; P778-A780 PolarHBondContact O-N 2.78Å; P778-A780 VanDerWaalsContact O-N 3.1Å; A780-E783 VanDerWaalsContact O-CB 3.25Å; A780-E783 WeakPolarHBondContact O-CB 3.45Å; A780-E783 PolarHBondContact O-N 3.1Å; A780-E784 PolarHBondContact O-N 2.82Å; A780-E784 VanDerWaalsContact O-N 3.12Å |
| 781 | V | 75.5 | Confident | 77.9 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -77.5 | -36.7 | 178.8 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | L731 T735 M774 P778 S779 E783 E784 F785 | L731-V781 HydrophobicContact CD1-CG1 4.16Å; L731-V781 HydrophobicContact CD2-CB 4.1Å; L731-V781 HydrophobicContact CD2-CG1 4.18Å; L731-V781 HydrophobicContact CD2-CG2 3.4Å; L731-V781 HydrophobicContact CG-CB 4.35Å; L731-V781 HydrophobicContact CG-CG1 3.89Å; L731-V781 HydrophobicContact CG-CG2 3.85Å; T735-V781 WeakPolarHBondContact OG1-CG1 3.43Å; M774-V781 HydrophobicContact SD-CG1 4.38Å; P778-V781 PolarHBondContact O-N 3.43Å; S779-V781 VanDerWaalsContact C-N 3.34Å; S779-V781 PolarHBondContact O-N 2.88Å; V781-E783 PolarHBondContact O-N 3.14Å; V781-E784 PolarHBondContact O-N 2.64Å; V781-F785 WeakPolarHBondContact O-CB 3.38Å; V781-F785 PolarHBondContact O-N 3.41Å |
| 782 | V | 75.5 | Confident | 77.8 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.2 | -31.7 | 171.4 | -168.3 | 0 | 0 | 0 | 0 | 110.6 | M774 R777 P778 S779 F786 L837 R866 | M774-V782 VanDerWaalsContact O-CG2 3.32Å; M774-V782 WeakPolarHBondContact O-CG2 3.41Å; R777-V782 HydrophobicContact CB-CG2 3.97Å; R777-V782 WeakPolarHBondContact O-CG2 3.42Å; P778-V782 PolarHBondContact O-N 3.41Å; S779-V782 PolarHBondContact O-N 3.07Å; V782-F786 HydrophobicContact CG1-CD2 3.52Å; V782-F786 HydrophobicContact CG1-CE2 3.6Å; V782-F786 WeakPolarHBondContact O-CB 3.49Å; V782-F786 VanDerWaalsContact O-CD2 3.3Å; V782-F786 WeakPolarHBondContact O-CD2 3.49Å; V782-F786 PolarHBondContact O-N 3.35Å; V782-F786 VanDerWaalsContact O-N 3.16Å; V782-L837 HydrophobicContact CB-CD1 4.31Å; V782-L837 HydrophobicContact CG1-CD1 3.48Å; V782-L837 VanDerWaalsContact CG1-CD1 3.48Å; V782-L837 HydrophobicContact CG1-CD2 3.52Å; V782-L837 HydrophobicContact CG1-CG 4.14Å; V782-R866 VanDerWaalsContact C-NH1 3.26Å; V782-R866 PolarHBondContact O-NH1 2.92Å |
| 783 | E | 74.4 | Confident | 78.2 | Confident | 61 Ų | 61 | 41.2 Ų | 41.2 | 29% | 0.285 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -55.4 | -58.6 | 168.7 | -80.1 | -179.6 | -174.3 | 0 | 0 | 112.2 | S779 A780 V781 N787 R866 | S779-E783 WeakPolarHBondContact O-CG 3.32Å; S779-E783 PolarHBondContact O-N 2.82Å; A780-E783 VanDerWaalsContact O-CB 3.25Å; A780-E783 WeakPolarHBondContact O-CB 3.45Å; A780-E783 PolarHBondContact O-N 3.1Å; V781-E783 PolarHBondContact O-N 3.14Å; E783-N787 WeakPolarHBondContact O-CB 3.29Å; E783-N787 PolarHBondContact O-N 2.82Å; E783-N787 PolarHBondContact O-ND2 3.37Å; E783-N787 VanDerWaalsContact O-ND2 3.09Å; E783-R866 VanDerWaalsContact CD-NH2 3.34Å; E783-R866 VanDerWaalsContact N-NH1 3.16Å; E783-R866 IonicContact OE1-CZ 3.94Å; E783-R866 IonicContact OE1-NE 3.89Å; E783-R866 PolarHBondContact OE1-NE 3.28Å; E783-R866 IonicContact OE1-NH2 3.58Å; E783-R866 PolarHBondContact OE1-NH2 2.65Å |
| 784 | E | 80.4 | Confident | 78.6 | Confident | 82 Ų | 82 | 42.7 Ų | 42.7 | 38% | 0.383 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.4 | -51.6 | -178.4 | -167.7 | 169.9 | -169.8 | 0 | 0 | 111.6 | A780 V781 F786 N787 E788 | A780-E784 PolarHBondContact O-N 2.82Å; A780-E784 VanDerWaalsContact O-N 3.12Å; V781-E784 PolarHBondContact O-N 2.64Å; E784-F786 PolarHBondContact O-N 3.32Å; E784-N787 PolarHBondContact O-N 2.99Å; E784-E788 WeakPolarHBondContact O-CG 3.14Å; E784-E788 PolarHBondContact O-N 3.06Å |
| 785 | F | 86.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.2 | -50.8 | -178.9 | 177.1 | -99.4 | 0 | 0 | 0 | 113.3 | T735 A738 L739 I742 I771 M774 V781 N787 E788 L789 | T735-F785 HydrophobicContact CG2-CB 3.89Å; T735-F785 HydrophobicContact CG2-CD2 4.02Å; T735-F785 HydrophobicContact CG2-CG 4.44Å; A738-F785 HydrophobicContact CB-CE2 3.98Å; L739-F785 HydrophobicContact CD2-CD2 3.77Å; L739-F785 HydrophobicContact CD2-CE2 3.78Å; L739-F785 HydrophobicContact CG-CD2 4Å; L739-F785 HydrophobicContact CG-CE2 4.16Å; I742-F785 HydrophobicContact CD1-CE2 3.75Å; I742-F785 HydrophobicContact CD1-CZ 3.44Å; I742-F785 VanDerWaalsContact CD1-CZ 3.44Å; I771-F785 HydrophobicContact CD1-CE1 3.69Å; I771-F785 HydrophobicContact CD1-CZ 3.62Å; M774-F785 HydrophobicContact CE-CB 4.43Å; M774-F785 HydrophobicContact CE-CD2 3.76Å; M774-F785 HydrophobicContact CE-CE2 4.15Å; M774-F785 HydrophobicContact CE-CG 4.03Å; M774-F785 HydrophobicContact CG-CB 4.28Å; M774-F785 HydrophobicContact CG-CD1 3.61Å; M774-F785 HydrophobicContact CG-CD2 4.36Å; M774-F785 HydrophobicContact CG-CE1 3.97Å; M774-F785 HydrophobicContact CG-CG 3.82Å; M774-F785 HydrophobicContact CG-CZ 4.45Å; M774-F785 HydrophobicContact SD-CB 4.14Å; M774-F785 HydrophobicContact SD-CD1 4.5Å; M774-F785 HydrophobicContact SD-CD2 4.45Å; M774-F785 HydrophobicContact SD-CG 4.11Å; V781-F785 WeakPolarHBondContact O-CB 3.38Å; V781-F785 PolarHBondContact O-N 3.41Å; F785-N787 VanDerWaalsContact C-N 3.34Å; F785-N787 PolarHBondContact O-N 3.44Å; F785-E788 PolarHBondContact O-N 2.82Å; F785-L789 WeakPolarHBondContact O-CB 3.42Å; F785-L789 PolarHBondContact O-N 3.38Å |
| 786 | F | 84.4 | Confident | 79.4 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.4 | -31 | -178.8 | -82.8 | -98.3 | 0 | 0 | 0 | 112.2 | V775 V782 E784 K790 T867 I870 | V775-F786 HydrophobicContact CG2-CE2 4.32Å; V775-F786 HydrophobicContact CG2-CZ 4.26Å; V782-F786 HydrophobicContact CG1-CD2 3.52Å; V782-F786 HydrophobicContact CG1-CE2 3.6Å; V782-F786 WeakPolarHBondContact O-CB 3.49Å; V782-F786 VanDerWaalsContact O-CD2 3.3Å; V782-F786 WeakPolarHBondContact O-CD2 3.49Å; V782-F786 PolarHBondContact O-N 3.35Å; V782-F786 VanDerWaalsContact O-N 3.16Å; E784-F786 PolarHBondContact O-N 3.32Å; F786-K790 WeakPolarHBondContact O-CB 3.45Å; F786-K790 PolarHBondContact O-N 2.92Å; F786-T867 HydrophobicContact CD1-CG2 4.09Å; F786-T867 HydrophobicContact CE1-CG2 3.6Å; F786-T867 HydrophobicContact CZ-CG2 3.9Å; F786-I870 HydrophobicContact CD1-CD1 3.32Å; F786-I870 HydrophobicContact CD1-CG1 4.46Å; F786-I870 HydrophobicContact CE1-CD1 3.52Å |
| 787 | N | 82.3 | Confident | 80.4 | Confident | 62 Ų | 62 | 45.8 Ų | 45.8 | 33% | 0.332 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.5 | -44.9 | 174.1 | -76.4 | -24.8 | 0 | 0 | 0 | 111.5 | E783 E784 F785 K790 K791 | E783-N787 WeakPolarHBondContact O-CB 3.29Å; E783-N787 PolarHBondContact O-N 2.82Å; E783-N787 PolarHBondContact O-ND2 3.37Å; E783-N787 VanDerWaalsContact O-ND2 3.09Å; E784-N787 PolarHBondContact O-N 2.99Å; F785-N787 VanDerWaalsContact C-N 3.34Å; F785-N787 PolarHBondContact O-N 3.44Å; N787-K790 PolarHBondContact O-N 3.43Å; N787-K791 WeakPolarHBondContact O-CG 3.49Å; N787-K791 PolarHBondContact O-N 3.49Å |
| 788 | E | 85.7 | Confident | 81.1 | Confident | 53 Ų | 53 | 48.9 Ų | 48.9 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.6 | -39.4 | 176.5 | -67.4 | -51.7 | 117.8 | 0 | 0 | 111.6 | L739 E784 F785 K790 K791 H792 | L739-E788 HydrophobicContact CD1-CB 3.68Å; L739-E788 HydrophobicContact CD1-CG 4.19Å; L739-E788 HydrophobicContact CD2-CB 4.15Å; E784-E788 WeakPolarHBondContact O-CG 3.14Å; E784-E788 PolarHBondContact O-N 3.06Å; F785-E788 PolarHBondContact O-N 2.82Å; E788-K790 VanDerWaalsContact C-N 3.32Å; E788-K790 PolarHBondContact O-N 3.47Å; E788-K791 PolarHBondContact O-N 3.43Å; E788-K791 IonicContact OE1-NZ 3.03Å; E788-K791 PolarHBondContact OE1-NZ 3.37Å; E788-H792 PolarHBondContact O-N 3.06Å; E788-H792 IonicContact OE2-CD2 3.41Å; E788-H792 PolarHBondContact OE2-CD2 3.44Å; E788-H792 VanDerWaalsContact OE2-CD2 3.23Å; E788-H792 IonicContact OE2-NE2 3.4Å |
| 789 | L | 86.3 | Confident | 82 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.9 | -44.6 | 172.6 | -167.4 | 81.6 | 0 | 0 | 0 | 111.8 | I742 F785 H793 L794 I797 F833 I870 | I742-L789 HydrophobicContact CD1-CD1 4Å; I742-L789 HydrophobicContact CG2-CD1 3.73Å; F785-L789 WeakPolarHBondContact O-CB 3.42Å; F785-L789 PolarHBondContact O-N 3.38Å; L789-H793 HydrophobicContact CD1-CB 3.81Å; L789-H793 HydrophobicContact CG-CB 4.42Å; L789-H793 CarbonylContact O-C 3.52Å; L789-H793 WeakPolarHBondContact O-CA 3.18Å; L789-H793 PolarHBondContact O-N 2.93Å; L789-L794 PolarHBondContact O-N 3.3Å; L789-I797 HydrophobicContact CD2-CD1 4.31Å; L789-F833 HydrophobicContact CD1-CE1 4.38Å; L789-F833 HydrophobicContact CD2-CD1 3.83Å; L789-F833 HydrophobicContact CD2-CE1 3.61Å; L789-I870 HydrophobicContact CD2-CD1 3.56Å |
| 790 | K | 83.7 | Confident | 83.1 | Confident | 91 Ų | 91 | 44.9 Ų | 44.9 | 40% | 0.396 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.5 | -37.5 | 177 | -175.2 | -177.7 | -175.3 | 177.2 | 0 | 112.7 | F786 N787 E788 L794 D869 | F786-K790 WeakPolarHBondContact O-CB 3.45Å; F786-K790 PolarHBondContact O-N 2.92Å; N787-K790 PolarHBondContact O-N 3.43Å; E788-K790 VanDerWaalsContact C-N 3.32Å; E788-K790 PolarHBondContact O-N 3.47Å; K790-L794 VanDerWaalsContact O-CD1 3.28Å; K790-L794 WeakPolarHBondContact O-CD1 3.47Å; K790-L794 WeakPolarHBondContact O-CG 3.27Å; K790-D869 HydrophobicContact CD-CB 4.15Å; K790-D869 IonicContact NZ-OD1 3.47Å; K790-D869 PolarHBondContact NZ-OD1 3Å; K790-D869 IonicContact NZ-OD2 3.44Å; K790-D869 PolarHBondContact NZ-OD2 3.3Å |
| 791 | K | 84.2 | Confident | 84 | Confident | 136 Ų | 136 | 42 Ų | 42 | 59% | 0.591 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -76.6 | -42.2 | -178.5 | -71.6 | 174.4 | -166 | 163.3 | 0 | 113.1 | N787 E788 | N787-K791 WeakPolarHBondContact O-CG 3.49Å; N787-K791 PolarHBondContact O-N 3.49Å; E788-K791 PolarHBondContact O-N 3.43Å; E788-K791 IonicContact OE1-NZ 3.03Å; E788-K791 PolarHBondContact OE1-NZ 3.37Å |
| 792 | H | 85.4 | Confident | 84.5 | Confident | 103 Ų | 103 | 45.2 Ų | 45.2 | 48% | 0.477 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -122.6 | -18.9 | -163.3 | -61.5 | -59.8 | 0 | 0 | 0 | 114.9 | E788 | E788-H792 PolarHBondContact O-N 3.06Å; E788-H792 IonicContact OE2-CD2 3.41Å; E788-H792 PolarHBondContact OE2-CD2 3.44Å; E788-H792 VanDerWaalsContact OE2-CD2 3.23Å; E788-H792 IonicContact OE2-NE2 3.4Å |
| 793 | H | 85.6 | Confident | 84.9 | Confident | 22 Ų | 22 | 45.6 Ų | 45.6 | 10% | 0.102 | 21% | 0.214 | C | C | . | . | trans | -126.1 | 17.9 | -166.9 | -54.4 | -74.9 | 0 | 0 | 0 | 115.2 | I742 L789 Q795 T796 | I742-H793 HydrophobicContact CG2-CB 3.96Å; L789-H793 HydrophobicContact CD1-CB 3.81Å; L789-H793 HydrophobicContact CG-CB 4.42Å; L789-H793 CarbonylContact O-C 3.52Å; L789-H793 WeakPolarHBondContact O-CA 3.18Å; L789-H793 PolarHBondContact O-N 2.93Å; H793-Q795 PolarHBondContact O-N 2.9Å; H793-Q795 VanDerWaalsContact O-N 3.17Å; H793-T796 WeakPolarHBondContact O-CB 3.24Å; H793-T796 PolarHBondContact O-N 2.63Å | ||
| 794 | L | 86.2 | Confident | 85.2 | Confident | 47 Ų | 47 | 42.7 Ų | 42.7 | 25% | 0.246 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.4 | -26.9 | 177.4 | -72.4 | 176.4 | 0 | 0 | 0 | 113.7 | L789 K790 T796 I797 K798 Y873 | L789-L794 PolarHBondContact O-N 3.3Å; K790-L794 VanDerWaalsContact O-CD1 3.28Å; K790-L794 WeakPolarHBondContact O-CD1 3.47Å; K790-L794 WeakPolarHBondContact O-CG 3.27Å; L794-T796 PolarHBondContact O-N 2.98Å; L794-I797 WeakPolarHBondContact O-CB 3.35Å; L794-I797 PolarHBondContact O-N 2.88Å; L794-I797 VanDerWaalsContact O-N 3.12Å; L794-K798 PolarHBondContact O-N 3.36Å; L794-Y873 HydrophobicContact CB-CE1 4.39Å; L794-Y873 HydrophobicContact CB-CE2 4.25Å; L794-Y873 HydrophobicContact CD1-CD2 4.12Å; L794-Y873 HydrophobicContact CD1-CE2 4.02Å; L794-Y873 HydrophobicContact CD2-CD1 4.11Å; L794-Y873 HydrophobicContact CD2-CD2 4.19Å; L794-Y873 HydrophobicContact CD2-CE1 4.31Å; L794-Y873 HydrophobicContact CD2-CE2 4.4Å; L794-Y873 HydrophobicContact CD2-CG 4.04Å; L794-Y873 HydrophobicContact CG-CE2 4.47Å |
| 795 | Q | 85.1 | Confident | 84.9 | Confident | 116 Ų | 116 | 39.6 Ų | 39.6 | 54% | 0.542 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.5 | -31.5 | 175.8 | -174.8 | 58.2 | 30.9 | 0 | 0 | 112.4 | H793 K798 T799 | H793-Q795 PolarHBondContact O-N 2.9Å; H793-Q795 VanDerWaalsContact O-N 3.17Å; Q795-K798 PolarHBondContact O-N 3.08Å; Q795-T799 PolarHBondContact O-N 2.66Å; Q795-T799 PolarHBondContact O-OG1 3.48Å |
| 796 | T | 86.8 | Confident | 84.3 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67 | -43.6 | 173.8 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | I742 V745 P746 H793 L794 K798 T799 L800 | I742-T796 HydrophobicContact CG2-CG2 3.95Å; I742-T796 WeakPolarHBondContact O-CG2 3.41Å; I742-T796 PolarHBondContact O-OG1 3.39Å; V745-T796 HydrophobicContact CB-CG2 3.7Å; V745-T796 HydrophobicContact CG1-CG2 3.7Å; V745-T796 HydrophobicContact CG2-CG2 4.34Å; P746-T796 WeakPolarHBondContact CG-OG1 3.37Å; H793-T796 WeakPolarHBondContact O-CB 3.24Å; H793-T796 PolarHBondContact O-N 2.63Å; L794-T796 PolarHBondContact O-N 2.98Å; T796-K798 PolarHBondContact O-N 3.33Å; T796-T799 WeakPolarHBondContact O-CB 3.29Å; T796-T799 PolarHBondContact O-N 2.8Å; T796-T799 VanDerWaalsContact O-N 3.14Å; T796-L800 HydrophobicContact CG2-CD1 4.45Å; T796-L800 WeakPolarHBondContact O-CG 3.49Å; T796-L800 PolarHBondContact O-N 3.13Å |
| 797 | I | 87 | Confident | 83.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 174.5 | -57.9 | -58.5 | 0 | 0 | 0 | 110.9 | L789 L794 T799 L800 V801 F833 I870 Y873 I874 | L789-I797 HydrophobicContact CD2-CD1 4.31Å; L794-I797 WeakPolarHBondContact O-CB 3.35Å; L794-I797 PolarHBondContact O-N 2.88Å; L794-I797 VanDerWaalsContact O-N 3.12Å; I797-T799 VanDerWaalsContact C-N 3.26Å; I797-T799 PolarHBondContact O-N 3.17Å; I797-L800 HydrophobicContact CD1-CD1 4.45Å; I797-L800 PolarHBondContact O-N 3.32Å; I797-L800 VanDerWaalsContact O-N 3.14Å; I797-V801 HydrophobicContact CG2-CG2 4.41Å; I797-V801 WeakPolarHBondContact O-CG2 3.29Å; I797-V801 PolarHBondContact O-N 2.92Å; I797-F833 HydrophobicContact CD1-CD1 3.79Å; I797-F833 HydrophobicContact CD1-CD2 3.82Å; I797-F833 HydrophobicContact CD1-CE1 3.79Å; I797-F833 HydrophobicContact CD1-CE2 3.85Å; I797-F833 HydrophobicContact CD1-CG 3.81Å; I797-F833 HydrophobicContact CD1-CZ 3.83Å; I797-I870 HydrophobicContact CG2-CG2 4.3Å; I797-Y873 HydrophobicContact CB-CD1 4.43Å; I797-Y873 HydrophobicContact CB-CE1 4.22Å; I797-Y873 HydrophobicContact CG2-CD1 3.93Å; I797-Y873 HydrophobicContact CG2-CE1 4.07Å; I797-I874 HydrophobicContact CG2-CD1 4.07Å; I797-I874 HydrophobicContact CG2-CG1 3.72Å |
| 798 | K | 87.6 | Confident | 82 | Confident | 82 Ų | 82 | 47.7 Ų | 47.7 | 36% | 0.357 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.6 | -39.6 | 175 | -171.9 | 176.2 | -178.1 | 177.9 | 0 | 112.4 | L794 Q795 T796 V801 L802 | L794-K798 PolarHBondContact O-N 3.36Å; Q795-K798 PolarHBondContact O-N 3.08Å; T796-K798 PolarHBondContact O-N 3.33Å; K798-V801 PolarHBondContact O-N 2.94Å; K798-L802 PolarHBondContact O-N 2.85Å |
| 799 | T | 87.2 | Confident | 80.4 | Confident | 9 Ų | 9 | 55.6 Ų | 55.6 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 176.4 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | V749 Q795 T796 I797 V801 L802 M803 | V749-T799 HydrophobicContact CG2-CG2 3.6Å; Q795-T799 PolarHBondContact O-N 2.66Å; Q795-T799 PolarHBondContact O-OG1 3.48Å; T796-T799 WeakPolarHBondContact O-CB 3.29Å; T796-T799 PolarHBondContact O-N 2.8Å; T796-T799 VanDerWaalsContact O-N 3.14Å; I797-T799 VanDerWaalsContact C-N 3.26Å; I797-T799 PolarHBondContact O-N 3.17Å; T799-V801 VanDerWaalsContact C-N 3.32Å; T799-V801 PolarHBondContact O-N 3.26Å; T799-L802 PolarHBondContact O-N 3.13Å; T799-L802 VanDerWaalsContact O-N 3.08Å; T799-M803 HydrophobicContact CG2-CE 4.01Å; T799-M803 WeakPolarHBondContact O-CG 3.3Å; T799-M803 PolarHBondContact O-N 3.07Å |
| 800 | L | 87 | Confident | 78.8 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -34.2 | 176.3 | -66.2 | 174.5 | 0 | 0 | 0 | 112.7 | L764 I767 T796 I797 L802 M803 P804 L830 F833 | L764-L800 HydrophobicContact CD2-CD2 3.35Å; I767-L800 HydrophobicContact CD1-CD1 4.5Å; I767-L800 HydrophobicContact CD1-CD2 4.04Å; I767-L800 HydrophobicContact CG2-CD1 4.37Å; T796-L800 HydrophobicContact CG2-CD1 4.45Å; T796-L800 WeakPolarHBondContact O-CG 3.49Å; T796-L800 PolarHBondContact O-N 3.13Å; I797-L800 HydrophobicContact CD1-CD1 4.45Å; I797-L800 PolarHBondContact O-N 3.32Å; I797-L800 VanDerWaalsContact O-N 3.14Å; L800-L802 PolarHBondContact O-N 3.04Å; L800-M803 PolarHBondContact O-N 3.2Å; L800-P804 WeakPolarHBondContact O-CD 3.38Å; L800-L830 HydrophobicContact CB-CD2 3.95Å; L800-L830 HydrophobicContact CB-CG 4.49Å; L800-F833 HydrophobicContact CD1-CD2 4.21Å; L800-F833 HydrophobicContact CD1-CE2 3.57Å; L800-F833 HydrophobicContact CD1-CZ 4.39Å |
| 801 | V | 87.7 | Confident | 77.6 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -14 | 173.7 | 173 | 0 | 0 | 0 | 0 | 112.8 | I797 K798 T799 L830 I874 Q877 L878 L883 Y890 | I797-V801 HydrophobicContact CG2-CG2 4.41Å; I797-V801 WeakPolarHBondContact O-CG2 3.29Å; I797-V801 PolarHBondContact O-N 2.92Å; K798-V801 PolarHBondContact O-N 2.94Å; T799-V801 VanDerWaalsContact C-N 3.32Å; T799-V801 PolarHBondContact O-N 3.26Å; V801-L830 HydrophobicContact CG2-CD2 3.83Å; V801-I874 HydrophobicContact CG2-CB 4.44Å; V801-I874 HydrophobicContact CG2-CG1 3.93Å; V801-I874 HydrophobicContact CG2-CG2 4.01Å; V801-Q877 HydrophobicContact CG1-CB 4.47Å; V801-L878 HydrophobicContact CG1-CD2 4.02Å; V801-L883 HydrophobicContact CG1-CD1 4.49Å; V801-Y890 PolarHBondContact O-OH 3.38Å |
| 802 | L | 86.2 | Confident | 76 | Confident | 72 Ų | 72 | 58 Ų | 58 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -29.1 | 174.9 | -70.1 | 166.4 | 0 | 0 | 0 | 112.4 | K798 T799 L800 S805 L883 | K798-L802 PolarHBondContact O-N 2.85Å; T799-L802 PolarHBondContact O-N 3.13Å; T799-L802 VanDerWaalsContact O-N 3.08Å; L800-L802 PolarHBondContact O-N 3.04Å; L802-S805 PolarHBondContact O-N 3.44Å; L802-S805 VanDerWaalsContact O-N 3.15Å; L802-L883 HydrophobicContact CD2-CD2 3.47Å; L802-L883 VanDerWaalsContact CD2-CD2 3.47Å |
| 803 | M | 83.4 | Confident | 74.6 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -59.3 | -42.8 | -170.9 | -72.7 | -71.9 | 138.9 | 0 | 0 | 114.7 | V749 T799 L800 S805 I806 A826 | V749-M803 HydrophobicContact CB-CE 3.96Å; V749-M803 HydrophobicContact CB-SD 4.26Å; V749-M803 HydrophobicContact CG2-CE 3.58Å; V749-M803 HydrophobicContact CG2-SD 4.43Å; T799-M803 HydrophobicContact CG2-CE 4.01Å; T799-M803 WeakPolarHBondContact O-CG 3.3Å; T799-M803 PolarHBondContact O-N 3.07Å; L800-M803 PolarHBondContact O-N 3.2Å; M803-S805 PolarHBondContact O-N 2.77Å; M803-S805 VanDerWaalsContact O-N 3.1Å; M803-I806 WeakPolarHBondContact O-CD1 3.22Å; M803-I806 VanDerWaalsContact O-CG1 3.22Å; M803-I806 WeakPolarHBondContact O-CG1 3.16Å; M803-I806 PolarHBondContact O-N 3.41Å; M803-I806 HydrophobicContact SD-CD1 3.76Å; M803-A826 HydrophobicContact CB-CB 4.02Å |
| 804 | P | 79.5 | Confident | 73.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -63.7 | -20.4 | -179.8 | -13 | 18.7 | 0 | 0 | 0 | 113.1 | L800 I806 R823 A826 M827 L830 Y890 Y893 | L800-P804 WeakPolarHBondContact O-CD 3.38Å; P804-I806 PolarHBondContact O-N 3.42Å; P804-R823 WeakPolarHBondContact O-CG 3.16Å; P804-A826 HydrophobicContact CG-CB 3.78Å; P804-M827 HydrophobicContact CB-CG 4Å; P804-M827 HydrophobicContact CB-SD 3.75Å; P804-M827 HydrophobicContact CG-CG 4.09Å; P804-M827 HydrophobicContact CG-SD 3.53Å; P804-M827 VanDerWaalsContact CG-SD 3.53Å; P804-L830 HydrophobicContact CG-CD1 4.13Å; P804-Y890 HydrophobicContact CB-CD1 4.4Å; P804-Y890 HydrophobicContact CB-CE1 3.55Å; P804-Y890 WeakPolarHBondContact CD-OH 3.44Å; P804-Y890 HydrophobicContact CG-CE1 4.11Å; P804-Y890 VanDerWaalsContact CG-OH 3.26Å; P804-Y890 WeakPolarHBondContact CG-OH 3.44Å; P804-Y893 HydrophobicContact CB-CE2 4.1Å; P804-Y893 PolarHBondContact O-OH 3.49Å |
| 805 | S | 75.2 | Confident | 72.1 | Confident | 18 Ų | 18 | 61 Ų | 61 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -88.6 | 6.2 | -177.6 | -47.2 | 0 | 0 | 0 | 0 | 114.9 | L802 M803 S807 H886 Y890 | L802-S805 PolarHBondContact O-N 3.44Å; L802-S805 VanDerWaalsContact O-N 3.15Å; M803-S805 PolarHBondContact O-N 2.77Å; M803-S805 VanDerWaalsContact O-N 3.1Å; S805-S807 PolarHBondContact O-N 2.84Å; S805-S807 VanDerWaalsContact O-N 3.14Å; S805-H886 WeakPolarHBondContact CB-ND1 3.19Å; S805-H886 WeakPolarHBondContact OG-CB 3.3Å; S805-H886 PolarHBondContact OG-ND1 2.98Å; S805-Y890 WeakPolarHBondContact OG-CE1 3.35Å; S805-Y890 PolarHBondContact OG-OH 3.18Å |
| 806 | I | 73.1 | Confident | 71.3 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 15% | 0.154 | 30% | 0.301 | C | S | . | . | trans | -54.3 | 123 | 178.9 | -67.3 | 165.4 | 0 | 0 | 0 | 109.5 | M803 P804 L819 R823 | M803-I806 WeakPolarHBondContact O-CD1 3.22Å; M803-I806 VanDerWaalsContact O-CG1 3.22Å; M803-I806 WeakPolarHBondContact O-CG1 3.16Å; M803-I806 PolarHBondContact O-N 3.41Å; M803-I806 HydrophobicContact SD-CD1 3.76Å; P804-I806 PolarHBondContact O-N 3.42Å; I806-L819 HydrophobicContact CB-CD1 4.15Å; I806-L819 HydrophobicContact CG2-CD1 3.84Å; I806-R823 PolarHBondContact O-NH2 3.07Å | ||
| 807 | S | 60.9 | Low | 70.6 | Confident | 46 Ų | 46 | 59.8 Ų | 59.8 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | trans | -75.5 | 151.4 | -171.2 | 88.8 | 0 | 0 | 0 | 0 | 111.8 | S805 Y809 T810 | S805-S807 PolarHBondContact O-N 2.84Å; S805-S807 VanDerWaalsContact O-N 3.14Å; S807-Y809 PolarHBondContact O-N 3.33Å; S807-Y809 PolarHBondContact OG-N 2.89Å; S807-T810 PolarHBondContact O-OG1 3.07Å; S807-T810 VanDerWaalsContact O-OG1 3.1Å; S807-T810 PolarHBondContact OG-N 3.27Å; S807-T810 PolarHBondContact OG-OG1 3.18Å | ||
| 808 | R | 58.2 | Low | 70 | Confident | 159 Ų | 159 | 62.3 Ų | 62.3 | 60% | 0.6 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -66.8 | -22.1 | 170.5 | -72.5 | -176.9 | 175.3 | 167.8 | 1.6 | 112.7 | T810 L819 | R808-T810 PolarHBondContact O-N 3.08Å; R808-L819 HydrophobicContact CG-CD2 3.87Å |
| 809 | Y | 51.2 | Low | 69.7 | Low | 219 Ų | 219 | 58.8 Ų | 58.8 | 86% | 0.859 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -81 | -14.2 | -170 | -67.7 | -77.3 | 0 | 0 | 0 | 114.1 | S807 | S807-Y809 PolarHBondContact O-N 3.33Å; S807-Y809 PolarHBondContact OG-N 2.89Å |
| 810 | T | 54.8 | Low | 69.5 | Low | 102 Ų | 102 | 59.8 Ų | 59.8 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -87.5 | -3.9 | -179.6 | 41.8 | 0 | 0 | 0 | 0 | 113.9 | S807 R808 | S807-T810 PolarHBondContact O-OG1 3.07Å; S807-T810 VanDerWaalsContact O-OG1 3.1Å; S807-T810 PolarHBondContact OG-N 3.27Å; S807-T810 PolarHBondContact OG-OG1 3.18Å; R808-T810 PolarHBondContact O-N 3.08Å |
| 811 | L | 56.8 | Low | 69.3 | Low | 42 Ų | 42 | 61.6 Ų | 61.6 | 22% | 0.22 | 31% | 0.314 | C | S | . | . | trans | -126.7 | 97.8 | -172 | -66.2 | 156.9 | 0 | 0 | 0 | 109.3 | L757 D813 A814 L819 | L757-L811 HydrophobicContact CD1-CD1 3.77Å; L757-L811 HydrophobicContact CD1-CD2 4.39Å; L757-L811 HydrophobicContact CD2-CD2 4.21Å; L757-L811 HydrophobicContact CG-CD2 4.36Å; L811-D813 VanDerWaalsContact C-N 3.29Å; L811-D813 PolarHBondContact O-N 3.27Å; L811-A814 HydrophobicContact CB-CB 3.8Å; L811-A814 HydrophobicContact CD1-CB 4.25Å; L811-A814 HydrophobicContact CD2-CB 3.97Å; L811-A814 HydrophobicContact CG-CB 4.22Å; L811-L819 HydrophobicContact CD1-CD1 4.24Å | ||
| 812 | V | 51.9 | Low | 69.2 | Low | 133 Ų | 133 | 61.5 Ų | 61.5 | 81% | 0.806 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -74.1 | -17.3 | -174.2 | 179.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 813 | D | 55.1 | Low | 69.3 | Low | 157 Ų | 157 | 59 Ų | 59 | 84% | 0.84 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -143.6 | 9.3 | -175.9 | -73.2 | -55.6 | 0 | 0 | 0 | 115.2 | L811 | L811-D813 VanDerWaalsContact C-N 3.29Å; L811-D813 PolarHBondContact O-N 3.27Å |
| 814 | A | 55.8 | Low | 69.5 | Low | 31 Ų | 31 | 60.4 Ų | 60.4 | 26% | 0.256 | 31% | 0.306 | S | S | . | . | trans | -78 | 141.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | L811 I816 | L811-A814 HydrophobicContact CB-CB 3.8Å; L811-A814 HydrophobicContact CD1-CB 4.25Å; L811-A814 HydrophobicContact CD2-CB 3.97Å; L811-A814 HydrophobicContact CG-CB 4.22Å; A814-I816 PolarHBondContact O-N 2.78Å; A814-I816 VanDerWaalsContact O-N 3.12Å | ||
| 815 | D | 63.9 | Low | 69.9 | Low | 47 Ų | 47 | 61.7 Ų | 61.7 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | trans | -60.8 | 112.5 | 176.8 | -166.6 | 12.2 | 0 | 0 | 0 | 110.2 | G306 D307 N817 R818 | G306-D815 VanDerWaalsContact CA-OD2 3.29Å; G306-D815 WeakPolarHBondContact CA-OD2 3.34Å; D307-D815 PolarHBondContact N-OD1 2.96Å; D307-D815 PolarHBondContact N-OD2 2.82Å; D815-N817 PolarHBondContact O-N 2.85Å; D815-R818 WeakPolarHBondContact O-CB 3.42Å; D815-R818 PolarHBondContact O-N 3.34Å | ||
| 816 | I | 68 | Low | 70.5 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -53.5 | -28.2 | -168.7 | -55.6 | 173.1 | 0 | 0 | 0 | 111.1 | D307 A814 R818 L819 D820 | D307-I816 HydrophobicContact CB-CB 3.65Å; D307-I816 VanDerWaalsContact CG-C 3.44Å; D307-I816 VanDerWaalsContact OD2-CA 3.3Å; D307-I816 WeakPolarHBondContact OD2-CA 3.37Å; D307-I816 WeakPolarHBondContact OD2-CB 3.49Å; D307-I816 WeakPolarHBondContact OD2-CG2 3.46Å; D307-I816 VanDerWaalsContact OD2-O 3.08Å; A814-I816 PolarHBondContact O-N 2.78Å; A814-I816 VanDerWaalsContact O-N 3.12Å; I816-R818 VanDerWaalsContact C-N 3.28Å; I816-R818 PolarHBondContact O-N 2.79Å; I816-L819 VanDerWaalsContact O-CB 3.3Å; I816-L819 WeakPolarHBondContact O-CB 3.49Å; I816-L819 PolarHBondContact O-N 2.92Å; I816-D820 PolarHBondContact O-N 3.46Å; I816-D820 VanDerWaalsContact O-N 3.14Å |
| 817 | N | 71.7 | Confident | 71.4 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -79.2 | -32.8 | -169.8 | -103.3 | -26.3 | 0 | 0 | 0 | 106.1 | G305 G306 D307 D815 L819 D820 D821 R898 | G305-N817 PolarHBondContact O-ND2 3.43Å; G306-N817 VanDerWaalsContact C-CB 3.42Å; G306-N817 VanDerWaalsContact C-CG 3.5Å; G306-N817 WeakPolarHBondContact CA-ND2 2.99Å; D307-N817 VanDerWaalsContact CA-CB 3.4Å; D307-N817 WeakPolarHBondContact CA-ND2 3.4Å; D307-N817 HydrophobicContact CB-CB 3.56Å; D307-N817 VanDerWaalsContact CB-CG 3.47Å; D307-N817 VanDerWaalsContact CG-CB 3.47Å; D307-N817 PolarHBondContact N-ND2 2.78Å; D307-N817 PolarHBondContact OD1-OD1 2.82Å; D307-N817 WeakPolarHBondContact OD2-CA 3.39Å; D307-N817 PolarHBondContact OD2-N 3.27Å; D307-N817 PolarHBondContact OD2-OD1 2.82Å; D815-N817 PolarHBondContact O-N 2.85Å; N817-L819 PolarHBondContact O-N 3.05Å; N817-D820 CarbonylContact O-C 3.57Å; N817-D820 WeakPolarHBondContact O-CA 3.36Å; N817-D820 PolarHBondContact O-N 2.81Å; N817-D821 WeakPolarHBondContact O-CB 3.31Å; N817-D821 PolarHBondContact O-N 3.16Å; N817-R898 PolarHBondContact OD1-NH1 2.94Å |
| 818 | R | 75.8 | Confident | 72.5 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 20% | 0.204 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -34.4 | 178.8 | -168.3 | 172 | -75.3 | 169.7 | -0 | 109.6 | E756 H758 D815 I816 D821 I822 | E756-R818 WeakPolarHBondContact O-CD 3.41Å; E756-R818 PolarHBondContact O-NH1 2.82Å; E756-R818 IonicContact OE2-NH1 3.86Å; H758-R818 PolarHBondContact CD2-NH1 3.37Å; H758-R818 PolarHBondContact CE1-NH1 3.35Å; H758-R818 PolarHBondContact CE1-NH2 3.06Å; H758-R818 VanDerWaalsContact CG-NH1 3.32Å; H758-R818 PolarHBondContact ND1-NH1 2.92Å; H758-R818 PolarHBondContact NE2-NH1 3.37Å; H758-R818 PolarHBondContact NE2-NH2 3.37Å; D815-R818 WeakPolarHBondContact O-CB 3.42Å; D815-R818 PolarHBondContact O-N 3.34Å; I816-R818 VanDerWaalsContact C-N 3.28Å; I816-R818 PolarHBondContact O-N 2.79Å; R818-D821 PolarHBondContact O-N 2.83Å; R818-I822 HydrophobicContact CG-CD1 4.17Å; R818-I822 WeakPolarHBondContact O-CB 3.46Å; R818-I822 VanDerWaalsContact O-CD1 3.3Å; R818-I822 WeakPolarHBondContact O-CD1 3.4Å; R818-I822 WeakPolarHBondContact O-CG1 3.25Å; R818-I822 PolarHBondContact O-N 3.11Å |
| 819 | L | 80.8 | Confident | 73.9 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 170 | -174.9 | 65.7 | 0 | 0 | 0 | 111.7 | L757 I806 R808 L811 I816 N817 R823 | L757-L819 HydrophobicContact CD1-CD1 4.33Å; I806-L819 HydrophobicContact CB-CD1 4.15Å; I806-L819 HydrophobicContact CG2-CD1 3.84Å; R808-L819 HydrophobicContact CG-CD2 3.87Å; L811-L819 HydrophobicContact CD1-CD1 4.24Å; I816-L819 VanDerWaalsContact O-CB 3.3Å; I816-L819 WeakPolarHBondContact O-CB 3.49Å; I816-L819 PolarHBondContact O-N 2.92Å; N817-L819 PolarHBondContact O-N 3.05Å; L819-R823 VanDerWaalsContact O-CG 3.26Å; L819-R823 WeakPolarHBondContact O-CG 3.31Å; L819-R823 PolarHBondContact O-N 3.45Å |
| 820 | D | 82.2 | Confident | 75.7 | Confident | 31 Ų | 31 | 39.4 Ų | 39.4 | 17% | 0.166 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.2 | -32.8 | 176.1 | -75.4 | -7.8 | 0 | 0 | 0 | 113 | I816 N817 R823 E824 | I816-D820 PolarHBondContact O-N 3.46Å; I816-D820 VanDerWaalsContact O-N 3.14Å; N817-D820 CarbonylContact O-C 3.57Å; N817-D820 WeakPolarHBondContact O-CA 3.36Å; N817-D820 PolarHBondContact O-N 2.81Å; D820-R823 PolarHBondContact O-N 3.29Å; D820-R823 IonicContact OD1-NH1 2.69Å; D820-R823 PolarHBondContact OD1-NH1 3.34Å; D820-E824 WeakPolarHBondContact O-CB 3.24Å; D820-E824 PolarHBondContact O-N 3.32Å |
| 821 | D | 83.4 | Confident | 77.1 | Confident | 37 Ų | 37 | 35 Ų | 35 | 20% | 0.198 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.9 | -43.9 | 173.7 | -64.3 | -23.7 | 0 | 0 | 0 | 110 | N817 R818 E824 H825 R898 | N817-D821 WeakPolarHBondContact O-CB 3.31Å; N817-D821 PolarHBondContact O-N 3.16Å; R818-D821 PolarHBondContact O-N 2.83Å; D821-E824 CarbonylContact O-C 3.56Å; D821-E824 PolarHBondContact O-N 3.44Å; D821-H825 WeakPolarHBondContact O-CB 3.31Å; D821-H825 PolarHBondContact O-N 2.88Å; D821-H825 PolarHBondContact O-ND1 3.25Å; D821-R898 IonicContact OD1-CZ 2.77Å; D821-R898 IonicContact OD1-NH1 3.98Å; D821-R898 PolarHBondContact OD1-NH1 3.1Å; D821-R898 VanDerWaalsContact OD1-NH1 3.16Å; D821-R898 IonicContact OD1-NH2 3.38Å; D821-R898 PolarHBondContact OD1-NH2 3.18Å |
| 822 | I | 85.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 174.5 | -74.7 | 162.6 | 0 | 0 | 0 | 111.2 | L757 R760 D761 L764 R818 E824 H825 A826 | L757-I822 HydrophobicContact CB-CD1 3.25Å; L757-I822 HydrophobicContact CD1-CD1 3.59Å; L757-I822 HydrophobicContact CG-CD1 4.01Å; R760-I822 HydrophobicContact CB-CD1 4.31Å; D761-I822 HydrophobicContact CB-CD1 4.43Å; D761-I822 HydrophobicContact CB-CG1 3.97Å; L764-I822 HydrophobicContact CD1-CB 4.46Å; L764-I822 HydrophobicContact CD1-CG2 3.78Å; R818-I822 HydrophobicContact CG-CD1 4.17Å; R818-I822 WeakPolarHBondContact O-CB 3.46Å; R818-I822 VanDerWaalsContact O-CD1 3.3Å; R818-I822 WeakPolarHBondContact O-CD1 3.4Å; R818-I822 WeakPolarHBondContact O-CG1 3.25Å; R818-I822 PolarHBondContact O-N 3.11Å; I822-E824 VanDerWaalsContact C-N 3.31Å; I822-E824 PolarHBondContact O-N 2.98Å; I822-H825 PolarHBondContact O-N 3.49Å; I822-A826 WeakPolarHBondContact O-CB 3.16Å; I822-A826 PolarHBondContact O-N 2.99Å |
| 823 | R | 88.4 | Confident | 79.8 | Confident | 20 Ų | 20 | 27.4 Ų | 27.4 | 8% | 0.075 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 174.5 | -74.3 | 169.3 | 175.3 | 153.8 | 2.2 | 111 | P804 I806 L819 D820 M827 Y893 L899 | P804-R823 WeakPolarHBondContact O-CG 3.16Å; I806-R823 PolarHBondContact O-NH2 3.07Å; L819-R823 VanDerWaalsContact O-CG 3.26Å; L819-R823 WeakPolarHBondContact O-CG 3.31Å; L819-R823 PolarHBondContact O-N 3.45Å; D820-R823 PolarHBondContact O-N 3.29Å; D820-R823 IonicContact OD1-NH1 2.69Å; D820-R823 PolarHBondContact OD1-NH1 3.34Å; R823-M827 WeakPolarHBondContact O-CB 3.22Å; R823-M827 VanDerWaalsContact O-CG 3.28Å; R823-M827 WeakPolarHBondContact O-CG 3.37Å; R823-M827 PolarHBondContact O-N 2.86Å; R823-Y893 WeakPolarHBondContact CD-OH 3.43Å; R823-Y893 PolarHBondContact NE-OH 3.01Å; R823-L899 HydrophobicContact CB-CD1 4.17Å; R823-L899 HydrophobicContact CB-CD2 4.03Å |
| 824 | E | 87.6 | Confident | 80.9 | Confident | 39 Ų | 39 | 20 Ų | 20 | 18% | 0.182 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.8 | -48.3 | 177.6 | -170.7 | 179.9 | 154.2 | 0 | 0 | 111.1 | D820 D821 I822 A826 M827 A828 R898 L899 | D820-E824 WeakPolarHBondContact O-CB 3.24Å; D820-E824 PolarHBondContact O-N 3.32Å; D821-E824 CarbonylContact O-C 3.56Å; D821-E824 PolarHBondContact O-N 3.44Å; I822-E824 VanDerWaalsContact C-N 3.31Å; I822-E824 PolarHBondContact O-N 2.98Å; E824-A826 PolarHBondContact O-N 3.17Å; E824-M827 PolarHBondContact O-N 3.11Å; E824-A828 WeakPolarHBondContact O-CB 3.3Å; E824-A828 PolarHBondContact O-N 3.16Å; E824-R898 IonicContact OE2-CZ 2.6Å; E824-R898 IonicContact OE2-NE 3.44Å; E824-R898 PolarHBondContact OE2-NE 3.22Å; E824-R898 IonicContact OE2-NH2 3.67Å; E824-R898 PolarHBondContact OE2-NH2 3.37Å; E824-L899 VanDerWaalsContact CA-CD2 3.4Å; E824-L899 HydrophobicContact CB-CD2 3.81Å; E824-L899 HydrophobicContact CG-CD2 4.4Å |
| 825 | H | 87.6 | Confident | 81.5 | Confident | 27 Ų | 27 | 20.5 Ų | 20.5 | 13% | 0.125 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 178.1 | -66.1 | 159.5 | 0 | 0 | 0 | 112.5 | D761 L764 D821 I822 A829 | D761-H825 IonicContact OD1-CE1 3.38Å; D761-H825 PolarHBondContact OD1-CE1 2.89Å; D761-H825 IonicContact OD1-CG 4Å; D761-H825 IonicContact OD1-ND1 2.78Å; D761-H825 PolarHBondContact OD1-ND1 2.86Å; L764-H825 HydrophobicContact CB-CB 3.83Å; L764-H825 HydrophobicContact CD1-CB 4.49Å; D821-H825 WeakPolarHBondContact O-CB 3.31Å; D821-H825 PolarHBondContact O-N 2.88Å; D821-H825 PolarHBondContact O-ND1 3.25Å; I822-H825 PolarHBondContact O-N 3.49Å; H825-A829 VanDerWaalsContact O-CB 3.27Å; H825-A829 WeakPolarHBondContact O-CB 3.13Å; H825-A829 PolarHBondContact O-N 2.93Å |
| 826 | A | 89 | Confident | 81.3 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.9 | -46.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L764 M803 P804 I822 E824 A828 A829 L830 | L764-A826 HydrophobicContact CD1-CB 4.02Å; L764-A826 HydrophobicContact CD2-CB 4.24Å; M803-A826 HydrophobicContact CB-CB 4.02Å; P804-A826 HydrophobicContact CG-CB 3.78Å; I822-A826 WeakPolarHBondContact O-CB 3.16Å; I822-A826 PolarHBondContact O-N 2.99Å; E824-A826 PolarHBondContact O-N 3.17Å; A826-A828 VanDerWaalsContact C-N 3.33Å; A826-A828 PolarHBondContact O-N 3.44Å; A826-A829 PolarHBondContact O-N 3.49Å; A826-L830 WeakPolarHBondContact O-CG 3.49Å; A826-L830 PolarHBondContact O-N 3.38Å |
| 827 | M | 90 | Very high | 80.4 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.9 | -36.1 | 176.4 | -70.5 | -55.7 | -62.8 | 0 | 0 | 112 | P804 R823 E824 L830 A831 H902 T903 V906 | P804-M827 HydrophobicContact CB-CG 4Å; P804-M827 HydrophobicContact CB-SD 3.75Å; P804-M827 HydrophobicContact CG-CG 4.09Å; P804-M827 HydrophobicContact CG-SD 3.53Å; P804-M827 VanDerWaalsContact CG-SD 3.53Å; R823-M827 WeakPolarHBondContact O-CB 3.22Å; R823-M827 VanDerWaalsContact O-CG 3.28Å; R823-M827 WeakPolarHBondContact O-CG 3.37Å; R823-M827 PolarHBondContact O-N 2.86Å; E824-M827 PolarHBondContact O-N 3.11Å; M827-L830 HydrophobicContact SD-CD1 4.19Å; M827-A831 WeakPolarHBondContact O-CB 3.46Å; M827-A831 PolarHBondContact O-N 3.44Å; M827-H902 HydrophobicContact CB-CB 3.77Å; M827-T903 HydrophobicContact CE-CG2 4.2Å; M827-V906 HydrophobicContact CE-CB 4.41Å; M827-V906 HydrophobicContact CE-CG2 4.25Å |
| 828 | A | 85.8 | Confident | 79 | Confident | 3 Ų | 3 | 17.5 Ų | 17.5 | 3% | 0.025 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.8 | -41.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | R768 E824 A826 A831 A832 | R768-A828 HydrophobicContact CG-CB 4.46Å; E824-A828 WeakPolarHBondContact O-CB 3.3Å; E824-A828 PolarHBondContact O-N 3.16Å; A826-A828 VanDerWaalsContact C-N 3.33Å; A826-A828 PolarHBondContact O-N 3.44Å; A828-A831 PolarHBondContact O-N 2.81Å; A828-A832 WeakPolarHBondContact O-CB 3.34Å; A828-A832 PolarHBondContact O-N 2.99Å |
| 829 | A | 86.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.1 | -46 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I767 R768 H825 A826 A831 A832 F833 | I767-A829 HydrophobicContact CG2-CB 4.22Å; R768-A829 HydrophobicContact CB-CB 4.48Å; H825-A829 VanDerWaalsContact O-CB 3.27Å; H825-A829 WeakPolarHBondContact O-CB 3.13Å; H825-A829 PolarHBondContact O-N 2.93Å; A826-A829 PolarHBondContact O-N 3.49Å; A829-A831 VanDerWaalsContact C-N 3.34Å; A829-A831 PolarHBondContact O-N 3.17Å; A829-A832 WeakPolarHBondContact O-CB 3.42Å; A829-A832 PolarHBondContact O-N 2.94Å; A829-A832 VanDerWaalsContact O-N 3.13Å; A829-F833 WeakPolarHBondContact O-CD2 3.47Å; A829-F833 PolarHBondContact O-N 2.71Å |
| 830 | L | 88.8 | Confident | 75.3 | Confident | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59 | -45 | 174.5 | -72 | 172.3 | 0 | 0 | 0 | 111.6 | L800 V801 P804 A826 M827 A832 F833 T834 I874 V906 | L800-L830 HydrophobicContact CB-CD2 3.95Å; L800-L830 HydrophobicContact CB-CG 4.49Å; V801-L830 HydrophobicContact CG2-CD2 3.83Å; P804-L830 HydrophobicContact CG-CD1 4.13Å; A826-L830 WeakPolarHBondContact O-CG 3.49Å; A826-L830 PolarHBondContact O-N 3.38Å; M827-L830 HydrophobicContact SD-CD1 4.19Å; L830-A832 VanDerWaalsContact C-N 3.27Å; L830-A832 PolarHBondContact O-N 3.17Å; L830-F833 PolarHBondContact O-N 2.73Å; L830-T834 PolarHBondContact O-N 3.26Å; L830-T834 VanDerWaalsContact O-N 3.08Å; L830-T834 PolarHBondContact O-OG1 2.74Å; L830-I874 HydrophobicContact CD2-CD1 4.05Å; L830-V906 HydrophobicContact CB-CG2 3.86Å |
| 831 | A | 84.8 | Confident | 72.9 | Confident | 10 Ų | 10 | 18.5 Ų | 18.5 | 8% | 0.083 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62 | -34.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M827 A828 A829 T834 C835 K905 V906 | M827-A831 WeakPolarHBondContact O-CB 3.46Å; M827-A831 PolarHBondContact O-N 3.44Å; A828-A831 PolarHBondContact O-N 2.81Å; A829-A831 VanDerWaalsContact C-N 3.34Å; A829-A831 PolarHBondContact O-N 3.17Å; A831-T834 PolarHBondContact O-OG1 2.82Å; A831-C835 WeakPolarHBondContact O-CB 3.18Å; A831-C835 PolarHBondContact O-N 3.41Å; A831-K905 HydrophobicContact CB-CB 4.31Å; A831-V906 HydrophobicContact CB-CG2 3.87Å |
| 832 | A | 80.5 | Confident | 70.7 | Confident | 13 Ų | 13 | 18.6 Ų | 18.6 | 11% | 0.107 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.2 | -36.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | I771 A828 A829 L830 | I771-A832 HydrophobicContact CB-CB 4.06Å; I771-A832 HydrophobicContact CG2-CB 3.7Å; I771-A832 WeakPolarHBondContact CG2-O 3.41Å; A828-A832 WeakPolarHBondContact O-CB 3.34Å; A828-A832 PolarHBondContact O-N 2.99Å; A829-A832 WeakPolarHBondContact O-CB 3.42Å; A829-A832 PolarHBondContact O-N 2.94Å; A829-A832 VanDerWaalsContact O-N 3.13Å; L830-A832 VanDerWaalsContact C-N 3.27Å; L830-A832 PolarHBondContact O-N 3.17Å |
| 833 | F | 84.2 | Confident | 68.4 | Low | 1 Ų | 1 | 19.4 Ų | 19.4 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70 | -33.3 | 175.4 | -81 | -70 | 0 | 0 | 0 | 113.6 | I767 I771 L789 I797 L800 A829 L830 I870 | I767-F833 HydrophobicContact CG2-CE2 3.61Å; I767-F833 HydrophobicContact CG2-CZ 3.92Å; I771-F833 HydrophobicContact CD1-CD1 3.97Å; I771-F833 HydrophobicContact CD1-CE1 3.27Å; I771-F833 HydrophobicContact CD1-CE2 4.39Å; I771-F833 HydrophobicContact CD1-CZ 3.52Å; I771-F833 HydrophobicContact CG1-CD1 4.12Å; I771-F833 HydrophobicContact CG1-CD2 4.37Å; I771-F833 HydrophobicContact CG1-CE1 3.64Å; I771-F833 HydrophobicContact CG1-CE2 3.9Å; I771-F833 HydrophobicContact CG1-CG 4.46Å; I771-F833 HydrophobicContact CG1-CZ 3.52Å; I771-F833 HydrophobicContact CG2-CD1 4.41Å; L789-F833 HydrophobicContact CD1-CE1 4.38Å; L789-F833 HydrophobicContact CD2-CD1 3.83Å; L789-F833 HydrophobicContact CD2-CE1 3.61Å; I797-F833 HydrophobicContact CD1-CD1 3.79Å; I797-F833 HydrophobicContact CD1-CD2 3.82Å; I797-F833 HydrophobicContact CD1-CE1 3.79Å; I797-F833 HydrophobicContact CD1-CE2 3.85Å; I797-F833 HydrophobicContact CD1-CG 3.81Å; I797-F833 HydrophobicContact CD1-CZ 3.83Å; L800-F833 HydrophobicContact CD1-CD2 4.21Å; L800-F833 HydrophobicContact CD1-CE2 3.57Å; L800-F833 HydrophobicContact CD1-CZ 4.39Å; A829-F833 WeakPolarHBondContact O-CD2 3.47Å; A829-F833 PolarHBondContact O-N 2.71Å; L830-F833 PolarHBondContact O-N 2.73Å; F833-I870 HydrophobicContact CB-CG2 4.27Å; F833-I870 HydrophobicContact CD1-CD1 4.49Å |
| 834 | T | 79.2 | Confident | 65.7 | Low | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -87.3 | -18.8 | 180 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | L830 A831 P836 T867 A871 I874 D909 | L830-T834 PolarHBondContact O-N 3.26Å; L830-T834 VanDerWaalsContact O-N 3.08Å; L830-T834 PolarHBondContact O-OG1 2.74Å; A831-T834 PolarHBondContact O-OG1 2.82Å; T834-P836 WeakPolarHBondContact O-CD 3.45Å; T834-T867 PolarHBondContact O-OG1 3.07Å; T834-A871 HydrophobicContact CG2-CB 3.95Å; T834-I874 HydrophobicContact CG2-CD1 3.59Å; T834-D909 WeakPolarHBondContact CB-OD2 3.2Å; T834-D909 PolarHBondContact OG1-OD2 3.47Å |
| 835 | C | 69 | Low | 63.4 | Low | 43 Ų | 43 | 26.6 Ų | 26.6 | 29% | 0.291 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -51.5 | 118.8 | -175.3 | -172.7 | 0 | 0 | 0 | 0 | 112.1 | A831 L837 T867 | A831-C835 WeakPolarHBondContact O-CB 3.18Å; A831-C835 PolarHBondContact O-N 3.41Å; C835-L837 PolarHBondContact O-N 3.4Å; C835-T867 VanDerWaalsContact O-CG2 3.26Å; C835-T867 WeakPolarHBondContact O-CG2 3.11Å; C835-T867 PolarHBondContact O-OG1 3.18Å |
| 836 | P | 58 | Low | 60.9 | Low | 22 Ų | 22 | 29.3 Ų | 29.3 | 14% | 0.143 | 16% | 0.164 | C | C | . | . | trans | -57.9 | 126.7 | 178.6 | -24.4 | 33.3 | 0 | 0 | 0 | 112 | T834 S838 T839 T867 L1076 | T834-P836 WeakPolarHBondContact O-CD 3.45Å; P836-S838 PolarHBondContact O-N 3.18Å; P836-T839 WeakPolarHBondContact O-CB 3.38Å; P836-T839 PolarHBondContact O-N 3.35Å; P836-T839 PolarHBondContact O-OG1 3.19Å; P836-T867 WeakPolarHBondContact CA-OG1 3.31Å; P836-L1076 HydrophobicContact CB-CB 4.41Å; P836-L1076 HydrophobicContact CB-CD2 4Å; P836-L1076 HydrophobicContact CG-CB 4.34Å; P836-L1076 HydrophobicContact CG-CD2 4.37Å | ||
| 837 | L | 50.5 | Low | 58 | Low | 21 Ų | 21 | 36.5 Ų | 36.5 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.4 | 177.8 | -60.7 | 177.3 | 0 | 0 | 0 | 113.1 | V775 V782 C835 T839 V840 T867 | V775-L837 HydrophobicContact CB-CD2 4.3Å; V775-L837 HydrophobicContact CG1-CD2 3.73Å; V775-L837 HydrophobicContact CG2-CD2 4.06Å; V782-L837 HydrophobicContact CB-CD1 4.31Å; V782-L837 HydrophobicContact CG1-CD1 3.48Å; V782-L837 VanDerWaalsContact CG1-CD1 3.48Å; V782-L837 HydrophobicContact CG1-CD2 3.52Å; V782-L837 HydrophobicContact CG1-CG 4.14Å; C835-L837 PolarHBondContact O-N 3.4Å; L837-T839 VanDerWaalsContact C-N 3.26Å; L837-T839 PolarHBondContact O-N 2.87Å; L837-V840 PolarHBondContact O-N 2.98Å; L837-T867 HydrophobicContact CD2-CG2 4.16Å; L837-T867 HydrophobicContact CG-CG2 3.92Å |
| 838 | S | 41.8 | Very low | 55.2 | Low | 37 Ų | 37 | 43 Ų | 43 | 26% | 0.259 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.1 | -24.2 | 175 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | P836 V840 C841 L1076 | P836-S838 PolarHBondContact O-N 3.18Å; S838-V840 PolarHBondContact O-N 2.86Å; S838-C841 PolarHBondContact O-N 2.83Å; S838-L1076 WeakPolarHBondContact OG-CD1 3.33Å; S838-L1076 WeakPolarHBondContact OG-CD2 3.25Å |
| 839 | T | 41.9 | Very low | 52.6 | Low | 41 Ų | 41 | 48.1 Ų | 48.1 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.5 | -24.8 | 176.4 | -21.2 | 0 | 0 | 0 | 0 | 111.8 | P836 L837 | P836-T839 WeakPolarHBondContact O-CB 3.38Å; P836-T839 PolarHBondContact O-N 3.35Å; P836-T839 PolarHBondContact O-OG1 3.19Å; L837-T839 VanDerWaalsContact C-N 3.26Å; L837-T839 PolarHBondContact O-N 2.87Å |
| 840 | V | 36.5 | Very low | 49.8 | Very low | 28 Ų | 28 | 56.9 Ų | 56.9 | 17% | 0.17 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -82.8 | -23.4 | 173.7 | -174.7 | 0 | 0 | 0 | 0 | 112 | V775 L837 S838 I842 S843 | V775-V840 HydrophobicContact CG1-CG2 3.76Å; L837-V840 PolarHBondContact O-N 2.98Å; S838-V840 PolarHBondContact O-N 2.86Å; V840-I842 PolarHBondContact O-N 2.75Å; V840-S843 PolarHBondContact O-N 3.44Å |
| 841 | C | 31.4 | Very low | 47 | Very low | 43 Ų | 43 | 61 Ų | 61 | 29% | 0.291 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -84.2 | -7.3 | -171.7 | -70.4 | 0 | 0 | 0 | 0 | 115.1 | S838 S843 | S838-C841 PolarHBondContact O-N 2.83Å; C841-S843 PolarHBondContact O-N 3.49Å |
| 842 | I | 38.5 | Very low | 44.2 | Very low | 40 Ų | 40 | 68 Ų | 68 | 21% | 0.205 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -16.7 | 167.1 | -63.4 | 177.6 | 0 | 0 | 0 | 111 | V840 L1040 V1142 | V840-I842 PolarHBondContact O-N 2.75Å; I842-L1040 HydrophobicContact CB-CD1 4.42Å; I842-L1040 HydrophobicContact CB-CD2 4.39Å; I842-L1040 HydrophobicContact CG2-CB 4.07Å; I842-L1040 HydrophobicContact CG2-CD1 2.97Å; I842-L1040 HydrophobicContact CG2-CD2 3.32Å; I842-L1040 HydrophobicContact CG2-CG 3.54Å; I842-V1142 HydrophobicContact CD1-CG1 3.83Å; I842-V1142 HydrophobicContact CG1-CG1 4.03Å; I842-V1142 HydrophobicContact CG1-CG2 4.39Å |
| 843 | S | 36.4 | Very low | 41.7 | Very low | 17 Ų | 17 | 74.8 Ų | 74.8 | 12% | 0.119 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -18.6 | -168.2 | -154.5 | 0 | 0 | 0 | 0 | 115.8 | V840 C841 N1044 | V840-S843 PolarHBondContact O-N 3.44Å; C841-S843 PolarHBondContact O-N 3.49Å; S843-N1044 WeakPolarHBondContact CB-ND2 3.43Å; S843-N1044 PolarHBondContact OG-ND2 3.2Å |
| 844 | N | 32.7 | Very low | 38.8 | Very low | 65 Ų | 65 | 80 Ų | 80 | 35% | 0.348 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -91.6 | -1.9 | -167.5 | -90.7 | -10.2 | 0 | 0 | 0 | 116.8 | H846 | N844-H846 VanDerWaalsContact C-N 3.3Å; N844-H846 PolarHBondContact O-N 2.57Å |
| 845 | K | 37.7 | Very low | 36.3 | Very low | 145 Ų | 145 | 86.9 Ų | 86.9 | 63% | 0.63 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -78.9 | -9.4 | 174.3 | -81.6 | -169.2 | 178.2 | -176.9 | 0 | 114.1 | ||
| 846 | H | 36.1 | Very low | 34.1 | Very low | 84 Ų | 84 | 88.4 Ų | 88.4 | 39% | 0.389 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -100.8 | 2 | -170.4 | -79.3 | -64.2 | 0 | 0 | 0 | 116.1 | N844 S1037 Y1137 | N844-H846 VanDerWaalsContact C-N 3.3Å; N844-H846 PolarHBondContact O-N 2.57Å; H846-S1037 PolarHBondContact CD2-OG 2.93Å; H846-S1037 PolarHBondContact NE2-OG 3.08Å; H846-Y1137 AromaticContact CE1-CE1 3.91Å |
| 847 | F | 28.3 | Very low | 32.5 | Very low | 151 Ų | 151 | 91.2 Ų | 91.2 | 66% | 0.662 | 53% | 0.531 | S | S | * | . | trans | -135.4 | 98.7 | 179.7 | -86.4 | -89.3 | 0 | 0 | 0 | 111.2 | ||||
| 848 | K | 31.7 | Very low | 31.3 | Very low | 137 Ų | 137 | 96.8 Ų | 96.8 | 60% | 0.596 | 57% | 0.566 | S | S | * | * | trans | 157.8 | 133 | 159.6 | -92.3 | 171.8 | -178.7 | -167.6 | 0 | 108 | N725 | N725-K848 WeakPolarHBondContact OD1-CE 3.31Å; N725-K848 PolarHBondContact OD1-NZ 3.38Å; N725-K848 VanDerWaalsContact OD1-NZ 3.17Å | ||
| 849 | D | 30.9 | Very low | 30.6 | Very low | 110 Ų | 110 | 103.2 Ų | 103.2 | 59% | 0.588 | 59% | 0.589 | S | S | * | * | cis | -159.5 | 120.9 | -14.4 | -98.9 | -29.8 | 0 | 0 | 0 | 104.1 | S851 | D849-S851 PolarHBondContact O-N 3.14Š| ||
| 850 | N | 26.4 | Very low | 30.1 | Very low | 183 Ų | 183 | 106.1 Ų | 106.1 | 98% | 0.979 | 61% | 0.609 | S | S | * | * | trans | -78.3 | 76.1 | 165.2 | -95.3 | -15.5 | 0 | 0 | 0 | 107.9 | ||||
| 851 | S | 30.4 | Very low | 29.9 | Very low | 90 Ų | 90 | 106.6 Ų | 106.6 | 63% | 0.629 | 62% | 0.62 | S | S | * | * | trans | -155.7 | 113.1 | 164.7 | 58.8 | 0 | 0 | 0 | 0 | 110.9 | D849 N853 | D849-S851 PolarHBondContact O-N 3.14Å; S851-N853 PolarHBondContact O-N 3.41Å | ||
| 852 | N | 25.4 | Very low | 30.1 | Very low | 155 Ų | 155 | 110.3 Ų | 110.3 | 83% | 0.829 | 64% | 0.636 | S | S | * | * | trans | -46.2 | 122.7 | 172.3 | -62.3 | -35.7 | 0 | 0 | 0 | 112.6 | ||||
| 853 | N | 28.3 | Very low | 30.1 | Very low | 156 Ų | 156 | 112.5 Ų | 112.5 | 83% | 0.834 | 64% | 0.643 | S | S | * | * | 175.5 | 134.4 | 124.7 | -87.5 | -22.6 | 0 | 0 | 0 | 112 | S851 V855 | S851-N853 PolarHBondContact O-N 3.41Å; N853-V855 PolarHBondContact O-N 3.05Å | |||
| 854 | S | 23.7 | Very low | 30.3 | Very low | 112 Ų | 112 | 115.6 Ų | 115.6 | 78% | 0.783 | 66% | 0.664 | S | S | * | * | trans | -51.7 | 115.7 | 178.2 | 50.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 855 | V | 26.1 | Very low | 31.2 | Very low | 145 Ų | 145 | 116.4 Ų | 116.4 | 88% | 0.879 | 67% | 0.668 | S | S | * | * | trans | -161.2 | 116 | 138.4 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | N853 | N853-V855 PolarHBondContact O-N 3.05Š| ||
| 856 | G | 23.8 | Very low | 32.2 | Very low | 74 Ų | 74 | 110.5 Ų | 110.5 | 76% | 0.763 | 64% | 0.642 | S | S | * | * | trans | 33.7 | 86.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | T858 | G856-T858 PolarHBondContact O-N 2.88Š| ||
| 857 | G | 23.3 | Very low | 33.8 | Very low | 81 Ų | 81 | 106.9 Ų | 106.9 | 84% | 0.835 | 63% | 0.625 | S | S | * | * | trans | -76.5 | 111.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 858 | T | 25.7 | Very low | 36 | Very low | 138 Ų | 138 | 102.6 Ų | 102.6 | 85% | 0.847 | 61% | 0.607 | S | S | * | * | trans | -72.8 | 120.1 | 165.6 | 42.1 | 0 | 0 | 0 | 0 | 110.2 | G856 | G856-T858 PolarHBondContact O-N 2.88Š| ||
| 859 | K | 28 | Very low | 38.2 | Very low | 173 Ų | 173 | 98.1 Ų | 98.1 | 75% | 0.752 | 59% | 0.59 | S | S | * | * | trans | -51.2 | 147.8 | 174.3 | -69.9 | -177.5 | 175.8 | -173.1 | 0 | 111.7 | G861 | K859-G861 PolarHBondContact O-N 3.14Š| ||
| 860 | P | 30.8 | Very low | 40.8 | Very low | 102 Ų | 102 | 93 Ų | 93 | 66% | 0.662 | 56% | 0.562 | S | S | * | * | trans | -60.7 | 113.4 | -177.7 | 24.6 | -32 | 0 | 0 | 0 | 110.1 | ||||
| 861 | G | 31.8 | Very low | 43.6 | Very low | 38 Ų | 38 | 84.3 Ų | 84.3 | 39% | 0.392 | 52% | 0.516 | S | S | . | . | trans | -59.6 | 141.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K859 Y863 | K859-G861 PolarHBondContact O-N 3.14Å; G861-Y863 PolarHBondContact O-N 3.49Å | ||
| 862 | N | 35.6 | Very low | 46.3 | Very low | 120 Ų | 120 | 83 Ų | 83 | 64% | 0.642 | 50% | 0.501 | S | S | * | . | trans | -46 | 109.4 | 170.8 | -73.4 | -23.5 | 0 | 0 | 0 | 111 | S864 | N862-S864 PolarHBondContact O-N 2.71Š| ||
| 863 | Y | 38.2 | Very low | 49.3 | Very low | 86 Ų | 86 | 77.9 Ų | 77.9 | 34% | 0.337 | 47% | 0.47 | S | S | . | . | trans | -71.3 | 81.7 | 170.1 | -64.7 | -84.3 | 0 | 0 | 0 | 109.8 | G861 I865 | G861-Y863 PolarHBondContact O-N 3.49Å; Y863-I865 PolarHBondContact O-N 3Å | ||
| 864 | S | 41.6 | Very low | 52.3 | Low | 82 Ų | 82 | 70.5 Ų | 70.5 | 57% | 0.573 | 43% | 0.431 | S | S | * | . | trans | -78.5 | 90.9 | 163.3 | 165.2 | 0 | 0 | 0 | 0 | 107.9 | N862 R866 | N862-S864 PolarHBondContact O-N 2.71Å; S864-R866 VanDerWaalsContact C-N 3.33Å; S864-R866 WeakPolarHBondContact O-CG 3.46Å; S864-R866 PolarHBondContact O-N 3.34Å | ||
| 865 | I | 50.7 | Low | 55.5 | Low | 82 Ų | 82 | 65.2 Ų | 65.2 | 42% | 0.421 | 39% | 0.394 | S | S | . | . | trans | 35.5 | 56.3 | 132 | -60.3 | -178.4 | 0 | 0 | 0 | 114.4 | Y863 H868 | Y863-I865 PolarHBondContact O-N 3Å; I865-H868 HydrophobicContact CB-CB 4.26Å; I865-H868 HydrophobicContact CG2-CB 3.06Å; I865-H868 VanDerWaalsContact CG2-CD2 3.49Å; I865-H868 WeakPolarHBondContact CG2-CD2 3.42Å | ||
| 866 | R | 58.4 | Low | 58.5 | Low | 22 Ų | 22 | 61.1 Ų | 61.1 | 8% | 0.083 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -90.8 | -31.7 | -178.1 | -87.6 | 167.4 | -60.2 | 107.7 | -6.7 | 113.9 | V782 E783 S864 H868 D869 | V782-R866 VanDerWaalsContact C-NH1 3.26Å; V782-R866 PolarHBondContact O-NH1 2.92Å; E783-R866 VanDerWaalsContact CD-NH2 3.34Å; E783-R866 VanDerWaalsContact N-NH1 3.16Å; E783-R866 IonicContact OE1-CZ 3.94Å; E783-R866 IonicContact OE1-NE 3.89Å; E783-R866 PolarHBondContact OE1-NE 3.28Å; E783-R866 IonicContact OE1-NH2 3.58Å; E783-R866 PolarHBondContact OE1-NH2 2.65Å; S864-R866 VanDerWaalsContact C-N 3.33Å; S864-R866 WeakPolarHBondContact O-CG 3.46Å; S864-R866 PolarHBondContact O-N 3.34Å; R866-H868 PolarHBondContact O-N 3.38Å; R866-D869 PolarHBondContact O-N 3.22Å |
| 867 | T | 69.8 | Low | 61.7 | Low | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.4 | -24.9 | 173.4 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | F786 T834 C835 P836 L837 D869 I870 A871 | F786-T867 HydrophobicContact CD1-CG2 4.09Å; F786-T867 HydrophobicContact CE1-CG2 3.6Å; F786-T867 HydrophobicContact CZ-CG2 3.9Å; T834-T867 PolarHBondContact O-OG1 3.07Å; C835-T867 VanDerWaalsContact O-CG2 3.26Å; C835-T867 WeakPolarHBondContact O-CG2 3.11Å; C835-T867 PolarHBondContact O-OG1 3.18Å; P836-T867 WeakPolarHBondContact CA-OG1 3.31Å; L837-T867 HydrophobicContact CD2-CG2 4.16Å; L837-T867 HydrophobicContact CG-CG2 3.92Å; T867-D869 VanDerWaalsContact C-N 3.32Å; T867-D869 PolarHBondContact O-N 3.29Å; T867-I870 WeakPolarHBondContact O-CB 3.43Å; T867-I870 PolarHBondContact O-N 2.83Å; T867-I870 VanDerWaalsContact O-N 3.11Å; T867-A871 PolarHBondContact O-N 2.95Å |
| 868 | H | 75.3 | Confident | 64.8 | Low | 60 Ų | 60 | 55.1 Ų | 55.1 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.9 | -33 | 171.9 | 173.5 | 106.6 | 0 | 0 | 0 | 113.3 | I865 R866 I870 A871 M872 A913 | I865-H868 HydrophobicContact CB-CB 4.26Å; I865-H868 HydrophobicContact CG2-CB 3.06Å; I865-H868 VanDerWaalsContact CG2-CD2 3.49Å; I865-H868 WeakPolarHBondContact CG2-CD2 3.42Å; R866-H868 PolarHBondContact O-N 3.38Å; H868-I870 PolarHBondContact O-N 3Å; H868-A871 PolarHBondContact O-N 3.07Å; H868-M872 WeakPolarHBondContact O-CB 3.33Å; H868-M872 PolarHBondContact O-N 2.95Å; H868-A913 WeakPolarHBondContact CE1-CA 3.28Å; H868-A913 PolarHBondContact CE1-O 3.33Å; H868-A913 WeakPolarHBondContact ND1-CA 3.29Å; H868-A913 PolarHBondContact NE2-O 3.46Å |
| 869 | D | 78.7 | Confident | 67.9 | Low | 43 Ų | 43 | 49.8 Ų | 49.8 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 172.3 | -76.9 | -49.7 | 0 | 0 | 0 | 111.3 | K790 R866 T867 Y873 | K790-D869 HydrophobicContact CD-CB 4.15Å; K790-D869 IonicContact NZ-OD1 3.47Å; K790-D869 PolarHBondContact NZ-OD1 3Å; K790-D869 IonicContact NZ-OD2 3.44Å; K790-D869 PolarHBondContact NZ-OD2 3.3Å; R866-D869 PolarHBondContact O-N 3.22Å; T867-D869 VanDerWaalsContact C-N 3.32Å; T867-D869 PolarHBondContact O-N 3.29Å; D869-Y873 WeakPolarHBondContact O-CB 3.41Å; D869-Y873 PolarHBondContact O-N 3.08Å |
| 870 | I | 84.5 | Confident | 70.8 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.1 | -43.1 | 176.2 | -61.9 | 177.2 | 0 | 0 | 0 | 110.7 | F786 L789 I797 F833 T867 H868 M872 Y873 I874 | F786-I870 HydrophobicContact CD1-CD1 3.32Å; F786-I870 HydrophobicContact CD1-CG1 4.46Å; F786-I870 HydrophobicContact CE1-CD1 3.52Å; L789-I870 HydrophobicContact CD2-CD1 3.56Å; I797-I870 HydrophobicContact CG2-CG2 4.3Å; F833-I870 HydrophobicContact CB-CG2 4.27Å; F833-I870 HydrophobicContact CD1-CD1 4.49Å; T867-I870 WeakPolarHBondContact O-CB 3.43Å; T867-I870 PolarHBondContact O-N 2.83Å; T867-I870 VanDerWaalsContact O-N 3.11Å; H868-I870 PolarHBondContact O-N 3Å; I870-M872 VanDerWaalsContact C-N 3.32Å; I870-M872 PolarHBondContact O-N 3Å; I870-Y873 WeakPolarHBondContact O-CB 3.27Å; I870-Y873 PolarHBondContact O-N 2.93Å; I870-Y873 VanDerWaalsContact O-N 3.15Å; I870-I874 HydrophobicContact CG2-CD1 3.84Å; I870-I874 HydrophobicContact CG2-CG1 4.34Å; I870-I874 VanDerWaalsContact O-CG1 3.32Å; I870-I874 WeakPolarHBondContact O-CG1 3.27Å; I870-I874 PolarHBondContact O-N 3Å |
| 871 | A | 85.7 | Confident | 73.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T834 T867 H868 I874 A875 D909 A913 | T834-A871 HydrophobicContact CG2-CB 3.95Å; T867-A871 PolarHBondContact O-N 2.95Å; H868-A871 PolarHBondContact O-N 3.07Å; A871-I874 PolarHBondContact O-N 3.33Å; A871-A875 WeakPolarHBondContact O-CB 3.48Å; A871-A875 PolarHBondContact O-N 3.22Å; A871-D909 HydrophobicContact CB-CB 4.14Å; A871-A913 HydrophobicContact CB-CB 3.64Å |
| 872 | M | 87 | Confident | 76 | Confident | 61 Ų | 61 | 49.9 Ų | 49.9 | 30% | 0.3 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 173.2 | 179.9 | 174.8 | 49.1 | 0 | 0 | 111.4 | H868 I870 N876 A913 D914 | H868-M872 WeakPolarHBondContact O-CB 3.33Å; H868-M872 PolarHBondContact O-N 2.95Å; I870-M872 VanDerWaalsContact C-N 3.32Å; I870-M872 PolarHBondContact O-N 3Å; M872-N876 WeakPolarHBondContact O-CB 3.29Å; M872-N876 PolarHBondContact O-N 3.39Å; M872-N876 PolarHBondContact O-ND2 3.25Å; M872-A913 HydrophobicContact CB-CB 4.1Å; M872-D914 HydrophobicContact CG-CB 4.35Å |
| 873 | Y | 89 | Confident | 78.4 | Confident | 48 Ų | 48 | 44.9 Ų | 44.9 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.5 | -48.5 | 173 | 177.5 | -96.8 | 0 | 0 | 0 | 111.6 | L794 I797 D869 I870 A875 N876 Q877 | L794-Y873 HydrophobicContact CB-CE1 4.39Å; L794-Y873 HydrophobicContact CB-CE2 4.25Å; L794-Y873 HydrophobicContact CD1-CD2 4.12Å; L794-Y873 HydrophobicContact CD1-CE2 4.02Å; L794-Y873 HydrophobicContact CD2-CD1 4.11Å; L794-Y873 HydrophobicContact CD2-CD2 4.19Å; L794-Y873 HydrophobicContact CD2-CE1 4.31Å; L794-Y873 HydrophobicContact CD2-CE2 4.4Å; L794-Y873 HydrophobicContact CD2-CG 4.04Å; L794-Y873 HydrophobicContact CG-CE2 4.47Å; I797-Y873 HydrophobicContact CB-CD1 4.43Å; I797-Y873 HydrophobicContact CB-CE1 4.22Å; I797-Y873 HydrophobicContact CG2-CD1 3.93Å; I797-Y873 HydrophobicContact CG2-CE1 4.07Å; D869-Y873 WeakPolarHBondContact O-CB 3.41Å; D869-Y873 PolarHBondContact O-N 3.08Å; I870-Y873 WeakPolarHBondContact O-CB 3.27Å; I870-Y873 PolarHBondContact O-N 2.93Å; I870-Y873 VanDerWaalsContact O-N 3.15Å; Y873-A875 VanDerWaalsContact C-N 3.35Å; Y873-A875 PolarHBondContact O-N 3.46Å; Y873-N876 PolarHBondContact O-N 2.59Å; Y873-Q877 HydrophobicContact CD1-CG 4.24Å; Y873-Q877 HydrophobicContact CE1-CG 3.83Å; Y873-Q877 HydrophobicContact CE2-CG 4.47Å; Y873-Q877 WeakPolarHBondContact O-CG 3.42Å; Y873-Q877 PolarHBondContact O-N 3.12Å |
| 874 | I | 89.8 | Confident | 80.7 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 177.2 | -67.8 | 166.6 | 0 | 0 | 0 | 110.3 | I797 V801 L830 T834 I870 A871 N876 Q877 L878 V906 | I797-I874 HydrophobicContact CG2-CD1 4.07Å; I797-I874 HydrophobicContact CG2-CG1 3.72Å; V801-I874 HydrophobicContact CG2-CB 4.44Å; V801-I874 HydrophobicContact CG2-CG1 3.93Å; V801-I874 HydrophobicContact CG2-CG2 4.01Å; L830-I874 HydrophobicContact CD2-CD1 4.05Å; T834-I874 HydrophobicContact CG2-CD1 3.59Å; I870-I874 HydrophobicContact CG2-CD1 3.84Å; I870-I874 HydrophobicContact CG2-CG1 4.34Å; I870-I874 VanDerWaalsContact O-CG1 3.32Å; I870-I874 WeakPolarHBondContact O-CG1 3.27Å; I870-I874 PolarHBondContact O-N 3Å; A871-I874 PolarHBondContact O-N 3.33Å; I874-N876 PolarHBondContact O-N 3.45Å; I874-Q877 WeakPolarHBondContact O-CB 3.08Å; I874-Q877 PolarHBondContact O-N 2.82Å; I874-Q877 VanDerWaalsContact O-N 3.15Å; I874-L878 HydrophobicContact CG2-CD1 3.94Å; I874-L878 HydrophobicContact CG2-CG 4.31Å; I874-L878 WeakPolarHBondContact O-CG 3.28Å; I874-L878 PolarHBondContact O-N 2.73Å; I874-V906 HydrophobicContact CG2-CG1 4.47Å |
| 875 | A | 90.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.1 | -49 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A871 Y873 Q877 L878 C879 C910 D914 F917 | A871-A875 WeakPolarHBondContact O-CB 3.48Å; A871-A875 PolarHBondContact O-N 3.22Å; Y873-A875 VanDerWaalsContact C-N 3.35Å; Y873-A875 PolarHBondContact O-N 3.46Å; A875-Q877 VanDerWaalsContact C-N 3.31Å; A875-Q877 PolarHBondContact O-N 2.7Å; A875-L878 PolarHBondContact O-N 2.73Å; A875-C879 PolarHBondContact O-N 2.81Å; A875-C910 HydrophobicContact CB-CB 3.9Å; A875-D914 HydrophobicContact CB-CB 3.86Å; A875-F917 HydrophobicContact CB-CB 3.83Å; A875-F917 HydrophobicContact CB-CD2 4.18Å; A875-F917 HydrophobicContact CB-CG 3.93Å |
| 876 | N | 90.3 | Very high | 84.5 | Confident | 59 Ų | 59 | 41.7 Ų | 41.7 | 32% | 0.316 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.6 | -34.1 | 175.9 | -80.1 | -54.5 | 0 | 0 | 0 | 113.2 | M872 Y873 I874 Q880 | M872-N876 WeakPolarHBondContact O-CB 3.29Å; M872-N876 PolarHBondContact O-N 3.39Å; M872-N876 PolarHBondContact O-ND2 3.25Å; Y873-N876 PolarHBondContact O-N 2.59Å; I874-N876 PolarHBondContact O-N 3.45Å; N876-Q880 PolarHBondContact O-NE2 3.32Å; N876-Q880 VanDerWaalsContact O-NE2 3.15Å |
| 877 | Q | 89.5 | Confident | 85.9 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 14% | 0.136 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.3 | -48.4 | 171.9 | -66.7 | -53.8 | -66.3 | 0 | 0 | 110.5 | V801 Y873 I874 A875 C879 Q880 L883 | V801-Q877 HydrophobicContact CG1-CB 4.47Å; Y873-Q877 HydrophobicContact CD1-CG 4.24Å; Y873-Q877 HydrophobicContact CE1-CG 3.83Å; Y873-Q877 HydrophobicContact CE2-CG 4.47Å; Y873-Q877 WeakPolarHBondContact O-CG 3.42Å; Y873-Q877 PolarHBondContact O-N 3.12Å; I874-Q877 WeakPolarHBondContact O-CB 3.08Å; I874-Q877 PolarHBondContact O-N 2.82Å; I874-Q877 VanDerWaalsContact O-N 3.15Å; A875-Q877 VanDerWaalsContact C-N 3.31Å; A875-Q877 PolarHBondContact O-N 2.7Å; Q877-C879 PolarHBondContact O-N 3.07Å; Q877-Q880 VanDerWaalsContact O-CB 3.25Å; Q877-Q880 WeakPolarHBondContact O-CB 3.25Å; Q877-Q880 VanDerWaalsContact O-CG 3.29Å; Q877-Q880 WeakPolarHBondContact O-CG 3.23Å; Q877-Q880 PolarHBondContact O-N 2.86Å; Q877-L883 HydrophobicContact CB-CD1 4.02Å; Q877-L883 WeakPolarHBondContact O-CD1 3.29Å |
| 878 | L | 89.4 | Confident | 86.8 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -22.9 | -179.5 | -68.5 | 174.4 | 0 | 0 | 0 | 113.6 | V801 I874 A875 Q880 L887 Y890 F917 | V801-L878 HydrophobicContact CG1-CD2 4.02Å; I874-L878 HydrophobicContact CG2-CD1 3.94Å; I874-L878 HydrophobicContact CG2-CG 4.31Å; I874-L878 WeakPolarHBondContact O-CG 3.28Å; I874-L878 PolarHBondContact O-N 2.73Å; A875-L878 PolarHBondContact O-N 2.73Å; L878-Q880 VanDerWaalsContact C-N 3.32Å; L878-L887 HydrophobicContact CB-CD1 4.47Å; L878-L887 HydrophobicContact CD1-CD1 4.45Å; L878-L887 HydrophobicContact CD2-CD1 4.48Å; L878-Y890 HydrophobicContact CD2-CD2 4.05Å; L878-Y890 HydrophobicContact CD2-CE2 3.92Å; L878-F917 HydrophobicContact CB-CD2 4.35Å; L878-F917 HydrophobicContact CB-CE2 3.74Å; L878-F917 HydrophobicContact CD1-CE2 4.01Å; L878-F917 HydrophobicContact CD1-CZ 4.16Å |
| 879 | C | 89.8 | Confident | 87.4 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 17% | 0.169 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -10.9 | 171.8 | -77.1 | 0 | 0 | 0 | 0 | 114.6 | A875 Q877 Y920 | A875-C879 PolarHBondContact O-N 2.81Å; Q877-C879 PolarHBondContact O-N 3.07Å; C879-Y920 HydrophobicContact CB-CD1 4.48Å |
| 880 | Q | 89.7 | Confident | 88 | Confident | 82 Ų | 82 | 44.5 Ų | 44.5 | 38% | 0.383 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -68.6 | 139.3 | 179.5 | -61.8 | -59.4 | -42.2 | 0 | 0 | 111.1 | N876 Q877 L878 E882 L883 | N876-Q880 PolarHBondContact O-NE2 3.32Å; N876-Q880 VanDerWaalsContact O-NE2 3.15Å; Q877-Q880 VanDerWaalsContact O-CB 3.25Å; Q877-Q880 WeakPolarHBondContact O-CB 3.25Å; Q877-Q880 VanDerWaalsContact O-CG 3.29Å; Q877-Q880 WeakPolarHBondContact O-CG 3.23Å; Q877-Q880 PolarHBondContact O-N 2.86Å; L878-Q880 VanDerWaalsContact C-N 3.32Å; Q880-E882 WeakPolarHBondContact CB-OE2 3.24Å; Q880-E882 PolarHBondContact O-N 3.3Å; Q880-L883 PolarHBondContact O-N 3.24Å |
| 881 | P | 86.2 | Confident | 88.3 | Confident | 92 Ų | 92 | 44.8 Ų | 44.8 | 60% | 0.597 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -56.1 | -34.1 | -179.2 | -25.1 | 34.3 | 0 | 0 | 0 | 113.8 | L883 E884 | P881-L883 PolarHBondContact O-N 2.94Å; P881-E884 WeakPolarHBondContact O-CB 3.23Å; P881-E884 PolarHBondContact O-N 3.4Å |
| 882 | E | 85.8 | Confident | 88.5 | Confident | 142 Ų | 142 | 47.2 Ų | 47.2 | 66% | 0.664 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -67.1 | -24.5 | 179.9 | -55.3 | 80.5 | -172.2 | 0 | 0 | 112.5 | Q880 | Q880-E882 WeakPolarHBondContact CB-OE2 3.24Å; Q880-E882 PolarHBondContact O-N 3.3Å |
| 883 | L | 85.5 | Confident | 88.8 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -96.6 | 4.5 | 179.7 | -73.7 | 170.5 | 0 | 0 | 0 | 113 | V801 L802 Q877 Q880 P881 T885 H886 L887 | V801-L883 HydrophobicContact CG1-CD1 4.49Å; L802-L883 HydrophobicContact CD2-CD2 3.47Å; L802-L883 VanDerWaalsContact CD2-CD2 3.47Å; Q877-L883 HydrophobicContact CB-CD1 4.02Å; Q877-L883 WeakPolarHBondContact O-CD1 3.29Å; Q880-L883 PolarHBondContact O-N 3.24Å; P881-L883 PolarHBondContact O-N 2.94Å; L883-T885 VanDerWaalsContact C-N 3.29Å; L883-T885 PolarHBondContact O-N 3.47Å; L883-H886 HydrophobicContact CB-CB 4.47Å; L883-H886 HydrophobicContact CD2-CB 3.89Å; L883-H886 WeakPolarHBondContact O-CB 3.42Å; L883-H886 PolarHBondContact O-N 3.1Å; L883-L887 PolarHBondContact O-N 3.46Å |
| 884 | E | 86.5 | Confident | 88.9 | Confident | 43 Ų | 43 | 42.6 Ų | 42.6 | 20% | 0.201 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.3 | -40.6 | -179 | -167.3 | -175.5 | 134.4 | 0 | 0 | 112 | P881 R888 K924 F925 | P881-E884 WeakPolarHBondContact O-CB 3.23Å; P881-E884 PolarHBondContact O-N 3.4Å; E884-R888 PolarHBondContact O-N 2.97Å; E884-R888 IonicContact OE1-CZ 2.64Å; E884-R888 IonicContact OE1-NE 2.82Å; E884-R888 IonicContact OE1-NH2 3.47Å; E884-R888 PolarHBondContact OE1-NH2 2.94Å; E884-K924 IonicContact OE2-NZ 2.88Å; E884-F925 HydrophobicContact CG-CE2 4.22Å; E884-F925 HydrophobicContact CG-CZ 3.56Å |
| 885 | T | 84.8 | Confident | 89 | Confident | 94 Ų | 94 | 47.1 Ų | 47.1 | 58% | 0.577 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -67.8 | -37.9 | 176.7 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | L883 R888 V889 | L883-T885 VanDerWaalsContact C-N 3.29Å; L883-T885 PolarHBondContact O-N 3.47Å; T885-R888 PolarHBondContact O-N 3.4Å; T885-V889 WeakPolarHBondContact O-CG2 3.49Å; T885-V889 PolarHBondContact O-N 2.97Å |
| 886 | H | 86.7 | Confident | 88.9 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 21% | 0.208 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 176.7 | -66.5 | -106.4 | 0 | 0 | 0 | 110.8 | S805 L883 R888 V889 Y890 | S805-H886 WeakPolarHBondContact CB-ND1 3.19Å; S805-H886 WeakPolarHBondContact OG-CB 3.3Å; S805-H886 PolarHBondContact OG-ND1 2.98Å; L883-H886 HydrophobicContact CB-CB 4.47Å; L883-H886 HydrophobicContact CD2-CB 3.89Å; L883-H886 WeakPolarHBondContact O-CB 3.42Å; L883-H886 PolarHBondContact O-N 3.1Å; H886-R888 VanDerWaalsContact C-N 3.34Å; H886-R888 PolarHBondContact O-N 3.2Å; H886-V889 WeakPolarHBondContact O-CB 3.48Å; H886-V889 PolarHBondContact O-N 3.36Å; H886-V889 VanDerWaalsContact O-N 3.12Å; H886-Y890 VanDerWaalsContact O-CD1 3.25Å; H886-Y890 WeakPolarHBondContact O-CD1 3.36Å; H886-Y890 PolarHBondContact O-N 3.37Å |
| 887 | L | 88.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | 177.7 | -175.6 | 59.1 | 0 | 0 | 0 | 112.4 | L878 L883 V889 Y890 I891 F907 F917 Y920 F925 | L878-L887 HydrophobicContact CB-CD1 4.47Å; L878-L887 HydrophobicContact CD1-CD1 4.45Å; L878-L887 HydrophobicContact CD2-CD1 4.48Å; L883-L887 PolarHBondContact O-N 3.46Å; L887-V889 VanDerWaalsContact C-N 3.32Å; L887-V889 PolarHBondContact O-N 3.47Å; L887-Y890 PolarHBondContact O-N 3.04Å; L887-Y890 VanDerWaalsContact O-N 3.17Å; L887-I891 HydrophobicContact CG-CD1 4.25Å; L887-I891 WeakPolarHBondContact O-CG1 3.18Å; L887-I891 PolarHBondContact O-N 3.23Å; L887-F907 HydrophobicContact CD1-CE2 3.85Å; L887-F907 HydrophobicContact CD1-CZ 3.61Å; L887-F917 HydrophobicContact CD1-CE2 4.4Å; L887-F917 HydrophobicContact CD1-CZ 4.44Å; L887-Y920 HydrophobicContact CD2-CD1 4.15Å; L887-Y920 HydrophobicContact CD2-CE1 3.82Å; L887-F925 HydrophobicContact CD2-CD2 3.84Å; L887-F925 HydrophobicContact CD2-CE2 3.62Å; L887-F925 HydrophobicContact CD2-CZ 4.46Å; L887-F925 HydrophobicContact CG-CD2 4.47Å; L887-F925 HydrophobicContact CG-CE2 4.29Å |
| 888 | R | 88.6 | Confident | 88.6 | Confident | 136 Ų | 136 | 52.9 Ų | 52.9 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | 173 | -72.6 | 176.9 | -169.1 | -93.8 | -3 | 112.1 | E884 T885 H886 Y890 I891 S892 F925 | E884-R888 PolarHBondContact O-N 2.97Å; E884-R888 IonicContact OE1-CZ 2.64Å; E884-R888 IonicContact OE1-NE 2.82Å; E884-R888 IonicContact OE1-NH2 3.47Å; E884-R888 PolarHBondContact OE1-NH2 2.94Å; T885-R888 PolarHBondContact O-N 3.4Å; H886-R888 VanDerWaalsContact C-N 3.34Å; H886-R888 PolarHBondContact O-N 3.2Å; R888-Y890 VanDerWaalsContact C-N 3.32Å; R888-I891 PolarHBondContact O-N 3.09Å; R888-S892 PolarHBondContact O-N 3.42Å; R888-S892 VanDerWaalsContact O-N 3.15Å; R888-F925 HydrophobicContact CG-CD1 4.2Å; R888-F925 HydrophobicContact CG-CE1 3.37Å; R888-F925 HydrophobicContact CG-CZ 4.02Å |
| 889 | V | 88.5 | Confident | 88.6 | Confident | 52 Ų | 52 | 53 Ų | 53 | 32% | 0.315 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 176.3 | 174.9 | 0 | 0 | 0 | 0 | 110.2 | T885 H886 L887 S892 Y893 | T885-V889 WeakPolarHBondContact O-CG2 3.49Å; T885-V889 PolarHBondContact O-N 2.97Å; H886-V889 WeakPolarHBondContact O-CB 3.48Å; H886-V889 PolarHBondContact O-N 3.36Å; H886-V889 VanDerWaalsContact O-N 3.12Å; L887-V889 VanDerWaalsContact C-N 3.32Å; L887-V889 PolarHBondContact O-N 3.47Å; V889-S892 WeakPolarHBondContact O-CB 3.35Å; V889-S892 PolarHBondContact O-N 3.37Å; V889-S892 VanDerWaalsContact O-N 3.13Å; V889-S892 PolarHBondContact O-OG 2.94Å; V889-Y893 HydrophobicContact CG1-CE1 3.79Å; V889-Y893 HydrophobicContact CG1-CE2 4.13Å; V889-Y893 VanDerWaalsContact CG1-CZ 3.48Å; V889-Y893 VanDerWaalsContact CG1-OH 3.24Å; V889-Y893 WeakPolarHBondContact CG1-OH 3.35Å; V889-Y893 PolarHBondContact O-N 3.18Å |
| 890 | Y | 90.5 | Very high | 88.7 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.8 | -41.3 | -179.3 | -68.2 | 5.5 | 0 | 0 | 0 | 111.9 | V801 P804 S805 L878 H886 L887 R888 S892 Y893 T903 F907 | V801-Y890 PolarHBondContact O-OH 3.38Å; P804-Y890 HydrophobicContact CB-CD1 4.4Å; P804-Y890 HydrophobicContact CB-CE1 3.55Å; P804-Y890 WeakPolarHBondContact CD-OH 3.44Å; P804-Y890 HydrophobicContact CG-CE1 4.11Å; P804-Y890 VanDerWaalsContact CG-OH 3.26Å; P804-Y890 WeakPolarHBondContact CG-OH 3.44Å; S805-Y890 WeakPolarHBondContact OG-CE1 3.35Å; S805-Y890 PolarHBondContact OG-OH 3.18Å; L878-Y890 HydrophobicContact CD2-CD2 4.05Å; L878-Y890 HydrophobicContact CD2-CE2 3.92Å; H886-Y890 VanDerWaalsContact O-CD1 3.25Å; H886-Y890 WeakPolarHBondContact O-CD1 3.36Å; H886-Y890 PolarHBondContact O-N 3.37Å; L887-Y890 PolarHBondContact O-N 3.04Å; L887-Y890 VanDerWaalsContact O-N 3.17Å; R888-Y890 VanDerWaalsContact C-N 3.32Å; Y890-S892 PolarHBondContact O-N 3.42Å; Y890-Y893 HydrophobicContact CD1-CD2 4.19Å; Y890-Y893 AromaticContact CD1-CE2 3.9Å; Y890-Y893 HydrophobicContact CD1-CE2 3.9Å; Y890-Y893 HydrophobicContact CE1-CE2 4.31Å; Y890-Y893 VanDerWaalsContact O-CB 3.29Å; Y890-Y893 WeakPolarHBondContact O-CB 3.3Å; Y890-Y893 PolarHBondContact O-N 3.23Å; Y890-T903 VanDerWaalsContact O-CG2 3.27Å; Y890-T903 WeakPolarHBondContact O-CG2 3.47Å; Y890-F907 VanDerWaalsContact CB-CZ 3.49Å; Y890-F907 HydrophobicContact CD2-CE1 4.12Å; Y890-F907 HydrophobicContact CD2-CZ 4.34Å; Y890-F907 HydrophobicContact CG-CE1 4.48Å; Y890-F907 HydrophobicContact CG-CZ 4.44Å |
| 891 | I | 91 | Very high | 88.5 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.046 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.3 | -38.1 | 173.1 | -66.2 | 165.7 | 0 | 0 | 0 | 110.3 | L887 R888 Y893 L894 W895 F907 F925 | L887-I891 HydrophobicContact CG-CD1 4.25Å; L887-I891 WeakPolarHBondContact O-CG1 3.18Å; L887-I891 PolarHBondContact O-N 3.23Å; R888-I891 PolarHBondContact O-N 3.09Å; I891-Y893 PolarHBondContact O-N 3.44Å; I891-L894 WeakPolarHBondContact O-CB 3.32Å; I891-L894 PolarHBondContact O-N 3.07Å; I891-W895 HydrophobicContact CG2-CH2 4.47Å; I891-W895 HydrophobicContact CG2-CZ3 4.08Å; I891-W895 VanDerWaalsContact O-CZ3 3.31Å; I891-W895 WeakPolarHBondContact O-CZ3 3.37Å; I891-F907 HydrophobicContact CG1-CE2 3.82Å; I891-F907 HydrophobicContact CG1-CZ 4.4Å; I891-F925 HydrophobicContact CD1-CB 3.66Å; I891-F925 HydrophobicContact CD1-CD1 4.01Å; I891-F925 HydrophobicContact CD1-CD2 4.41Å; I891-F925 HydrophobicContact CD1-CG 3.76Å |
| 892 | S | 90.4 | Very high | 88.7 | Confident | 53 Ų | 53 | 46 Ų | 46 | 37% | 0.371 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.8 | -25.1 | 176 | 84.7 | 0 | 0 | 0 | 0 | 113.9 | R888 V889 Y890 L894 W895 | R888-S892 PolarHBondContact O-N 3.42Å; R888-S892 VanDerWaalsContact O-N 3.15Å; V889-S892 WeakPolarHBondContact O-CB 3.35Å; V889-S892 PolarHBondContact O-N 3.37Å; V889-S892 VanDerWaalsContact O-N 3.13Å; V889-S892 PolarHBondContact O-OG 2.94Å; Y890-S892 PolarHBondContact O-N 3.42Å; S892-L894 PolarHBondContact O-N 3.2Å; S892-W895 PolarHBondContact O-N 3.03Å |
| 893 | Y | 92.3 | Very high | 89 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -70 | -15.4 | 177.9 | -64.1 | -19.1 | 0 | 0 | 0 | 114 | P804 R823 V889 Y890 I891 W895 V896 L899 C900 T903 | P804-Y893 HydrophobicContact CB-CE2 4.1Å; P804-Y893 PolarHBondContact O-OH 3.49Å; R823-Y893 WeakPolarHBondContact CD-OH 3.43Å; R823-Y893 PolarHBondContact NE-OH 3.01Å; V889-Y893 HydrophobicContact CG1-CE1 3.79Å; V889-Y893 HydrophobicContact CG1-CE2 4.13Å; V889-Y893 VanDerWaalsContact CG1-CZ 3.48Å; V889-Y893 VanDerWaalsContact CG1-OH 3.24Å; V889-Y893 WeakPolarHBondContact CG1-OH 3.35Å; V889-Y893 PolarHBondContact O-N 3.18Å; Y890-Y893 HydrophobicContact CD1-CD2 4.19Å; Y890-Y893 AromaticContact CD1-CE2 3.9Å; Y890-Y893 HydrophobicContact CD1-CE2 3.9Å; Y890-Y893 HydrophobicContact CE1-CE2 4.31Å; Y890-Y893 VanDerWaalsContact O-CB 3.29Å; Y890-Y893 WeakPolarHBondContact O-CB 3.3Å; Y890-Y893 PolarHBondContact O-N 3.23Å; I891-Y893 PolarHBondContact O-N 3.44Å; Y893-W895 PolarHBondContact O-N 3.25Å; Y893-V896 HydrophobicContact CD1-CG2 4.4Å; Y893-V896 PolarHBondContact O-N 3.34Å; Y893-L899 HydrophobicContact CD1-CD1 3.6Å; Y893-L899 HydrophobicContact CD2-CD1 3.95Å; Y893-L899 HydrophobicContact CE1-CD1 3.88Å; Y893-L899 HydrophobicContact CE2-CD1 4.2Å; Y893-L899 HydrophobicContact CG-CB 4.24Å; Y893-L899 HydrophobicContact CG-CD1 3.64Å; Y893-C900 WeakPolarHBondContact O-CA 3.33Å; Y893-C900 PolarHBondContact O-N 3.26Å; Y893-T903 WeakPolarHBondContact CB-OG1 3.27Å |
| 894 | L | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -64.2 | -25.4 | 172 | -63.8 | 167.5 | 0 | 0 | 0 | 112.3 | I891 S892 C900 T903 A904 Y928 A931 L935 | I891-L894 WeakPolarHBondContact O-CB 3.32Å; I891-L894 PolarHBondContact O-N 3.07Å; S892-L894 PolarHBondContact O-N 3.2Å; L894-C900 VanDerWaalsContact O-CB 3.24Å; L894-C900 WeakPolarHBondContact O-CB 3.42Å; L894-T903 HydrophobicContact CD2-CG2 3.89Å; L894-T903 HydrophobicContact CG-CG2 4.07Å; L894-A904 HydrophobicContact CD2-CB 3.97Å; L894-Y928 HydrophobicContact CD1-CD2 3.37Å; L894-Y928 HydrophobicContact CD1-CE2 3.36Å; L894-A931 HydrophobicContact CB-CB 4.07Å; L894-A931 HydrophobicContact CD1-CB 3.7Å; L894-L935 HydrophobicContact CB-CD1 4.2Å; L894-L935 HydrophobicContact CD2-CD1 4.08Å; L894-L935 WeakPolarHBondContact O-CD2 3.42Å |
| 895 | W | 92.1 | Very high | 89.2 | Confident | 97 Ų | 97 | 40 Ų | 40 | 37% | 0.367 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -90.6 | 3.1 | 173.4 | -65.2 | -87.3 | 0 | 0 | 0 | 113.8 | I891 S892 Y893 V927 A931 D934 | I891-W895 HydrophobicContact CG2-CH2 4.47Å; I891-W895 HydrophobicContact CG2-CZ3 4.08Å; I891-W895 VanDerWaalsContact O-CZ3 3.31Å; I891-W895 WeakPolarHBondContact O-CZ3 3.37Å; S892-W895 PolarHBondContact O-N 3.03Å; Y893-W895 PolarHBondContact O-N 3.25Å; W895-V927 HydrophobicContact CH2-CG1 3.8Å; W895-A931 HydrophobicContact CD2-CB 4.38Å; W895-A931 HydrophobicContact CE3-CB 4.28Å; W895-A931 HydrophobicContact CH2-CB 3.25Å; W895-A931 HydrophobicContact CZ2-CB 3.33Å; W895-A931 HydrophobicContact CZ3-CB 3.75Å; W895-D934 PolarHBondContact NE1-OD2 3.37Å |
| 896 | V | 89.7 | Confident | 89.4 | Confident | 55 Ų | 55 | 35.7 Ų | 35.7 | 33% | 0.333 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -103.7 | 114.9 | -178.9 | -179.4 | 0 | 0 | 0 | 0 | 110 | Y893 R898 L899 C900 | Y893-V896 HydrophobicContact CD1-CG2 4.4Å; Y893-V896 PolarHBondContact O-N 3.34Å; V896-R898 VanDerWaalsContact C-N 3.25Å; V896-R898 PolarHBondContact O-N 3.22Å; V896-R898 VanDerWaalsContact O-N 3.08Å; V896-L899 HydrophobicContact CB-CB 4.29Å; V896-L899 HydrophobicContact CB-CD1 4.41Å; V896-L899 HydrophobicContact CG1-CB 4.31Å; V896-L899 HydrophobicContact CG1-CD1 4.06Å; V896-L899 HydrophobicContact CG1-CG 4.1Å; V896-L899 PolarHBondContact O-N 3.22Å; V896-C900 WeakPolarHBondContact O-CB 3.41Å; V896-C900 PolarHBondContact O-N 2.96Å |
| 897 | S | 87.3 | Confident | 89.6 | Confident | 57 Ų | 57 | 33.6 Ų | 33.6 | 40% | 0.399 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -40.6 | -175.5 | 177 | 0 | 0 | 0 | 0 | 114.9 | S941 | S897-S941 VanDerWaalsContact CB-O 3.29Å; S897-S941 WeakPolarHBondContact CB-O 3.45Å; S897-S941 PolarHBondContact OG-O 2.79Å |
| 898 | R | 86 | Confident | 89.7 | Confident | 96 Ų | 96 | 33.6 Ų | 33.6 | 36% | 0.362 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -25.7 | -178.3 | -63.8 | -179.1 | 66.8 | 175.5 | 2.7 | 114 | N817 D821 E824 V896 | N817-R898 PolarHBondContact OD1-NH1 2.94Å; D821-R898 IonicContact OD1-CZ 2.77Å; D821-R898 IonicContact OD1-NH1 3.98Å; D821-R898 PolarHBondContact OD1-NH1 3.1Å; D821-R898 VanDerWaalsContact OD1-NH1 3.16Å; D821-R898 IonicContact OD1-NH2 3.38Å; D821-R898 PolarHBondContact OD1-NH2 3.18Å; E824-R898 IonicContact OE2-CZ 2.6Å; E824-R898 IonicContact OE2-NE 3.44Å; E824-R898 PolarHBondContact OE2-NE 3.22Å; E824-R898 IonicContact OE2-NH2 3.67Å; E824-R898 PolarHBondContact OE2-NH2 3.37Å; V896-R898 VanDerWaalsContact C-N 3.25Å; V896-R898 PolarHBondContact O-N 3.22Å; V896-R898 VanDerWaalsContact O-N 3.08Å |
| 899 | L | 89.4 | Confident | 89.4 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -20.6 | -169.8 | -60.7 | 174.6 | 0 | 0 | 0 | 113.3 | R823 E824 Y893 V896 I901 H902 T903 | R823-L899 HydrophobicContact CB-CD1 4.17Å; R823-L899 HydrophobicContact CB-CD2 4.03Å; E824-L899 VanDerWaalsContact CA-CD2 3.4Å; E824-L899 HydrophobicContact CB-CD2 3.81Å; E824-L899 HydrophobicContact CG-CD2 4.4Å; Y893-L899 HydrophobicContact CD1-CD1 3.6Å; Y893-L899 HydrophobicContact CD2-CD1 3.95Å; Y893-L899 HydrophobicContact CE1-CD1 3.88Å; Y893-L899 HydrophobicContact CE2-CD1 4.2Å; Y893-L899 HydrophobicContact CG-CB 4.24Å; Y893-L899 HydrophobicContact CG-CD1 3.64Å; V896-L899 HydrophobicContact CB-CB 4.29Å; V896-L899 HydrophobicContact CB-CD1 4.41Å; V896-L899 HydrophobicContact CG1-CB 4.31Å; V896-L899 HydrophobicContact CG1-CD1 4.06Å; V896-L899 HydrophobicContact CG1-CG 4.1Å; V896-L899 PolarHBondContact O-N 3.22Å; L899-I901 VanDerWaalsContact C-N 3.31Å; L899-I901 PolarHBondContact O-N 2.66Å; L899-H902 PolarHBondContact O-N 2.74Å; L899-T903 WeakPolarHBondContact O-CB 3.43Å; L899-T903 PolarHBondContact O-N 2.65Å; L899-T903 PolarHBondContact O-OG1 2.9Å |
| 900 | C | 90.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.5 | -38.6 | -169.2 | 62.5 | 0 | 0 | 0 | 0 | 113 | Y893 L894 V896 A904 L935 | Y893-C900 WeakPolarHBondContact O-CA 3.33Å; Y893-C900 PolarHBondContact O-N 3.26Å; L894-C900 VanDerWaalsContact O-CB 3.24Å; L894-C900 WeakPolarHBondContact O-CB 3.42Å; V896-C900 WeakPolarHBondContact O-CB 3.41Å; V896-C900 PolarHBondContact O-N 2.96Å; C900-A904 WeakPolarHBondContact O-CB 3.38Å; C900-A904 PolarHBondContact O-N 3.45Å; C900-L935 HydrophobicContact CB-CD2 4.2Å |
| 901 | I | 87.4 | Confident | 89.4 | Confident | 24 Ų | 24 | 25.1 Ų | 25.1 | 12% | 0.123 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.7 | -44.3 | -179.6 | -163.9 | 169.1 | 0 | 0 | 0 | 112.6 | L899 K905 D946 T949 L950 | L899-I901 VanDerWaalsContact C-N 3.31Å; L899-I901 PolarHBondContact O-N 2.66Å; I901-K905 WeakPolarHBondContact O-CB 3.35Å; I901-K905 VanDerWaalsContact O-CG 3.29Å; I901-K905 WeakPolarHBondContact O-CG 3.35Å; I901-K905 PolarHBondContact O-N 3.43Å; I901-D946 HydrophobicContact CD1-CB 4.32Å; I901-T949 HydrophobicContact CD1-CG2 4.08Å; I901-L950 HydrophobicContact CB-CD2 4.16Å; I901-L950 HydrophobicContact CB-CG 4.48Å; I901-L950 HydrophobicContact CG1-CD2 4.27Å; I901-L950 HydrophobicContact CG1-CG 4.42Å |
| 902 | H | 89.1 | Confident | 88.9 | Confident | 29 Ų | 29 | 26.4 Ų | 26.4 | 13% | 0.134 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.7 | -40.9 | 178.1 | -65.1 | -63.9 | 0 | 0 | 0 | 111.1 | M827 L899 K905 V906 | M827-H902 HydrophobicContact CB-CB 3.77Å; L899-H902 PolarHBondContact O-N 2.74Å; H902-K905 PolarHBondContact O-N 2.77Å; H902-V906 WeakPolarHBondContact O-CG2 3.1Å; H902-V906 PolarHBondContact O-N 3.38Å |
| 903 | T | 91.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.1 | -49 | 176.4 | -52 | 0 | 0 | 0 | 0 | 111.5 | M827 Y890 Y893 L894 L899 K905 V906 F907 | M827-T903 HydrophobicContact CE-CG2 4.2Å; Y890-T903 VanDerWaalsContact O-CG2 3.27Å; Y890-T903 WeakPolarHBondContact O-CG2 3.47Å; Y893-T903 WeakPolarHBondContact CB-OG1 3.27Å; L894-T903 HydrophobicContact CD2-CG2 3.89Å; L894-T903 HydrophobicContact CG-CG2 4.07Å; L899-T903 WeakPolarHBondContact O-CB 3.43Å; L899-T903 PolarHBondContact O-N 2.65Å; L899-T903 PolarHBondContact O-OG1 2.9Å; T903-K905 VanDerWaalsContact C-N 3.28Å; T903-K905 PolarHBondContact O-N 3.28Å; T903-V906 PolarHBondContact O-N 2.94Å; T903-F907 HydrophobicContact CG2-CD1 4.15Å; T903-F907 HydrophobicContact CG2-CE1 4.02Å; T903-F907 HydrophobicContact CG2-CZ 4.43Å; T903-F907 WeakPolarHBondContact O-CB 3.15Å; T903-F907 VanDerWaalsContact O-CD1 3.27Å; T903-F907 WeakPolarHBondContact O-CD1 3.28Å; T903-F907 PolarHBondContact O-N 3.49Å |
| 904 | A | 90.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.1 | -36.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | L894 C900 Y908 L950 L953 | L894-A904 HydrophobicContact CD2-CB 3.97Å; C900-A904 WeakPolarHBondContact O-CB 3.38Å; C900-A904 PolarHBondContact O-N 3.45Å; A904-Y908 WeakPolarHBondContact O-CB 3.19Å; A904-Y908 PolarHBondContact O-N 3.39Å; A904-L950 HydrophobicContact CB-CD2 4.43Å; A904-L953 HydrophobicContact CB-CD2 3.35Å; A904-L953 HydrophobicContact CB-CG 3.98Å |
| 905 | K | 87.3 | Confident | 87.9 | Confident | 74 Ų | 74 | 27.4 Ų | 27.4 | 32% | 0.322 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -64.9 | -52.4 | 176.8 | -78.7 | 178.5 | 176.5 | -172.6 | 0 | 111.9 | A831 I901 H902 T903 F907 Y908 D909 L953 | A831-K905 HydrophobicContact CB-CB 4.31Å; I901-K905 WeakPolarHBondContact O-CB 3.35Å; I901-K905 VanDerWaalsContact O-CG 3.29Å; I901-K905 WeakPolarHBondContact O-CG 3.35Å; I901-K905 PolarHBondContact O-N 3.43Å; H902-K905 PolarHBondContact O-N 2.77Å; T903-K905 VanDerWaalsContact C-N 3.28Å; T903-K905 PolarHBondContact O-N 3.28Å; K905-F907 VanDerWaalsContact C-N 3.3Å; K905-F907 PolarHBondContact O-N 3.34Å; K905-Y908 WeakPolarHBondContact O-CB 3.13Å; K905-Y908 PolarHBondContact O-N 3.32Å; K905-D909 PolarHBondContact O-N 2.93Å; K905-L953 HydrophobicContact CG-CD1 4.4Å; K905-L953 HydrophobicContact CG-CD2 3.8Å |
| 906 | V | 88.6 | Confident | 87.8 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.7 | -44.7 | 179.2 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | M827 L830 A831 I874 H902 T903 D909 C910 | M827-V906 HydrophobicContact CE-CB 4.41Å; M827-V906 HydrophobicContact CE-CG2 4.25Å; L830-V906 HydrophobicContact CB-CG2 3.86Å; A831-V906 HydrophobicContact CB-CG2 3.87Å; I874-V906 HydrophobicContact CG2-CG1 4.47Å; H902-V906 WeakPolarHBondContact O-CG2 3.1Å; H902-V906 PolarHBondContact O-N 3.38Å; T903-V906 PolarHBondContact O-N 2.94Å; V906-D909 PolarHBondContact O-N 3.49Å; V906-C910 WeakPolarHBondContact O-CB 3.11Å; V906-C910 PolarHBondContact O-N 3.42Å; V906-C910 PolarHBondContact O-SG 3.31Å |
| 907 | F | 91.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.6 | -37.7 | -177.2 | -80 | 41.8 | 0 | 0 | 0 | 111.8 | L887 Y890 I891 T903 K905 C910 V911 F917 Y928 | L887-F907 HydrophobicContact CD1-CE2 3.85Å; L887-F907 HydrophobicContact CD1-CZ 3.61Å; Y890-F907 VanDerWaalsContact CB-CZ 3.49Å; Y890-F907 HydrophobicContact CD2-CE1 4.12Å; Y890-F907 HydrophobicContact CD2-CZ 4.34Å; Y890-F907 HydrophobicContact CG-CE1 4.48Å; Y890-F907 HydrophobicContact CG-CZ 4.44Å; I891-F907 HydrophobicContact CG1-CE2 3.82Å; I891-F907 HydrophobicContact CG1-CZ 4.4Å; T903-F907 HydrophobicContact CG2-CD1 4.15Å; T903-F907 HydrophobicContact CG2-CE1 4.02Å; T903-F907 HydrophobicContact CG2-CZ 4.43Å; T903-F907 WeakPolarHBondContact O-CB 3.15Å; T903-F907 VanDerWaalsContact O-CD1 3.27Å; T903-F907 WeakPolarHBondContact O-CD1 3.28Å; T903-F907 PolarHBondContact O-N 3.49Å; K905-F907 VanDerWaalsContact C-N 3.3Å; K905-F907 PolarHBondContact O-N 3.34Å; F907-C910 PolarHBondContact O-N 3.04Å; F907-V911 WeakPolarHBondContact O-CB 3.48Å; F907-V911 VanDerWaalsContact O-CG2 3.3Å; F907-V911 WeakPolarHBondContact O-CG2 3.42Å; F907-V911 PolarHBondContact O-N 2.91Å; F907-F917 HydrophobicContact CD2-CZ 4.48Å; F907-Y928 HydrophobicContact CB-CE1 4.4Å; F907-Y928 WeakPolarHBondContact CB-OH 3.1Å; F907-Y928 HydrophobicContact CD2-CD1 4.31Å; F907-Y928 HydrophobicContact CD2-CD2 4.4Å; F907-Y928 AromaticContact CD2-CE1 3.71Å; F907-Y928 HydrophobicContact CD2-CE1 3.71Å; F907-Y928 AromaticContact CD2-CE2 3.87Å; F907-Y928 HydrophobicContact CD2-CE2 3.87Å; F907-Y928 AromaticContact CD2-CZ 3.51Å |
| 908 | Y | 89.3 | Confident | 88.1 | Confident | 1 Ų | 1 | 23 Ų | 23 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.2 | -49.6 | 172.2 | 175 | -115.8 | 0 | 0 | 0 | 111.6 | A904 K905 C910 V911 Q912 L953 H956 S957 A960 I1075 L1076 P1078 | A904-Y908 WeakPolarHBondContact O-CB 3.19Å; A904-Y908 PolarHBondContact O-N 3.39Å; K905-Y908 WeakPolarHBondContact O-CB 3.13Å; K905-Y908 PolarHBondContact O-N 3.32Å; Y908-C910 VanDerWaalsContact C-N 3.32Å; Y908-C910 PolarHBondContact O-N 3.41Å; Y908-V911 PolarHBondContact O-N 3.3Å; Y908-Q912 HydrophobicContact CD2-CG 4.49Å; Y908-Q912 HydrophobicContact CE2-CG 4.15Å; Y908-Q912 WeakPolarHBondContact O-CG 3.44Å; Y908-Q912 PolarHBondContact O-N 3.03Å; Y908-Q912 PolarHBondContact OH-NE2 2.95Å; Y908-L953 HydrophobicContact CD1-CD1 3.87Å; Y908-L953 HydrophobicContact CG-CD1 3.79Å; Y908-H956 HydrophobicContact CD2-CB 4.46Å; Y908-H956 VanDerWaalsContact CE2-C 3.47Å; Y908-H956 HydrophobicContact CE2-CB 3.59Å; Y908-H956 WeakPolarHBondContact CE2-O 3.29Å; Y908-H956 WeakPolarHBondContact OH-CB 3.38Å; Y908-S957 WeakPolarHBondContact CD2-OG 3.36Å; Y908-A960 HydrophobicContact CD2-CB 4.38Å; Y908-A960 HydrophobicContact CE2-CB 4.05Å; Y908-I1075 HydrophobicContact CD1-CG2 3.93Å; Y908-I1075 HydrophobicContact CE1-CG2 3.33Å; Y908-L1076 PolarHBondContact OH-O 3.37Å; Y908-P1078 HydrophobicContact CE2-CB 4.32Å; Y908-P1078 WeakPolarHBondContact OH-CD 3.45Å |
| 909 | D | 83.5 | Confident | 88.3 | Confident | 14 Ų | 14 | 22.4 Ų | 22.4 | 8% | 0.075 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 178 | -65.1 | -26.8 | 0 | 0 | 0 | 111.4 | T834 A871 K905 V906 Q912 A913 | T834-D909 WeakPolarHBondContact CB-OD2 3.2Å; T834-D909 PolarHBondContact OG1-OD2 3.47Å; A871-D909 HydrophobicContact CB-CB 4.14Å; K905-D909 PolarHBondContact O-N 2.93Å; V906-D909 PolarHBondContact O-N 3.49Å; D909-Q912 PolarHBondContact O-N 3.02Å; D909-A913 WeakPolarHBondContact O-CB 3.42Å; D909-A913 PolarHBondContact O-N 3.44Å |
| 910 | C | 88.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.8 | -43.7 | 175.9 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | A875 V906 F907 Y908 A913 D914 F917 | A875-C910 HydrophobicContact CB-CB 3.9Å; V906-C910 WeakPolarHBondContact O-CB 3.11Å; V906-C910 PolarHBondContact O-N 3.42Å; V906-C910 PolarHBondContact O-SG 3.31Å; F907-C910 PolarHBondContact O-N 3.04Å; Y908-C910 VanDerWaalsContact C-N 3.32Å; Y908-C910 PolarHBondContact O-N 3.41Å; C910-A913 PolarHBondContact O-N 3.01Å; C910-A913 VanDerWaalsContact O-N 3.16Å; C910-D914 PolarHBondContact O-N 2.91Å; C910-F917 HydrophobicContact CB-CD1 3.68Å; C910-F917 HydrophobicContact CB-CE1 3.57Å; C910-F917 HydrophobicContact CB-CG 4.39Å; C910-F917 HydrophobicContact CB-CZ 4.22Å |
| 911 | V | 89.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | F907 Y908 A913 F917 A918 A960 F961 Q964 | F907-V911 WeakPolarHBondContact O-CB 3.48Å; F907-V911 VanDerWaalsContact O-CG2 3.3Å; F907-V911 WeakPolarHBondContact O-CG2 3.42Å; F907-V911 PolarHBondContact O-N 2.91Å; Y908-V911 PolarHBondContact O-N 3.3Å; V911-A913 PolarHBondContact O-N 3.28Å; V911-F917 HydrophobicContact CG2-CD1 3.92Å; V911-F917 HydrophobicContact CG2-CE1 3.98Å; V911-A918 HydrophobicContact CG1-CB 4.2Å; V911-A960 HydrophobicContact CG1-CB 3.84Å; V911-F961 HydrophobicContact CG1-CD1 4.28Å; V911-F961 HydrophobicContact CG1-CD2 4.29Å; V911-F961 HydrophobicContact CG1-CE1 4.43Å; V911-F961 HydrophobicContact CG1-CE2 4.42Å; V911-F961 HydrophobicContact CG1-CG 4.21Å; V911-F961 HydrophobicContact CG1-CZ 4.49Å; V911-F961 HydrophobicContact CG2-CE1 4.09Å; V911-F961 HydrophobicContact CG2-CE2 3.87Å; V911-F961 HydrophobicContact CG2-CZ 3.61Å; V911-Q964 HydrophobicContact CG1-CG 4.44Å; V911-Q964 VanDerWaalsContact O-CG 3.29Å; V911-Q964 WeakPolarHBondContact O-CG 3.42Å |
| 912 | Q | 81 | Confident | 88.5 | Confident | 35 Ų | 35 | 25 Ų | 25 | 16% | 0.164 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.3 | -35.8 | 173.4 | -78.9 | -152.5 | 24.6 | 0 | 0 | 112.9 | Y908 D909 A960 Q964 | Y908-Q912 HydrophobicContact CD2-CG 4.49Å; Y908-Q912 HydrophobicContact CE2-CG 4.15Å; Y908-Q912 WeakPolarHBondContact O-CG 3.44Å; Y908-Q912 PolarHBondContact O-N 3.03Å; Y908-Q912 PolarHBondContact OH-NE2 2.95Å; D909-Q912 PolarHBondContact O-N 3.02Å; Q912-A960 HydrophobicContact CG-CB 4.21Å; Q912-Q964 PolarHBondContact O-NE2 3.35Å |
| 913 | A | 78.9 | Confident | 88.5 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 8% | 0.083 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -83.1 | -33.5 | -171 | 0 | 0 | 0 | 0 | 0 | 114.7 | H868 A871 M872 D909 C910 V911 | H868-A913 WeakPolarHBondContact CE1-CA 3.28Å; H868-A913 PolarHBondContact CE1-O 3.33Å; H868-A913 WeakPolarHBondContact ND1-CA 3.29Å; H868-A913 PolarHBondContact NE2-O 3.46Å; A871-A913 HydrophobicContact CB-CB 3.64Å; M872-A913 HydrophobicContact CB-CB 4.1Å; D909-A913 WeakPolarHBondContact O-CB 3.42Å; D909-A913 PolarHBondContact O-N 3.44Å; C910-A913 PolarHBondContact O-N 3.01Å; C910-A913 VanDerWaalsContact O-N 3.16Å; V911-A913 PolarHBondContact O-N 3.28Å |
| 914 | D | 86 | Confident | 88.4 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | trans | -137.1 | 116 | -174.8 | 179.8 | 24.5 | 0 | 0 | 0 | 112.6 | M872 A875 C910 L916 F917 A918 | M872-D914 HydrophobicContact CG-CB 4.35Å; A875-D914 HydrophobicContact CB-CB 3.86Å; C910-D914 PolarHBondContact O-N 2.91Å; D914-L916 PolarHBondContact O-N 2.68Å; D914-L916 WeakPolarHBondContact OD1-CB 3.36Å; D914-L916 PolarHBondContact OD1-N 3.33Å; D914-F917 HydrophobicContact CB-CB 4.18Å; D914-F917 PolarHBondContact O-N 2.91Å; D914-F917 PolarHBondContact OD2-N 2.92Å; D914-A918 PolarHBondContact O-N 3.1Å | ||
| 915 | T | 87.6 | Confident | 88.3 | Confident | 60 Ų | 60 | 37.4 Ų | 37.4 | 37% | 0.368 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.1 | -33.8 | 174.8 | -50.8 | 0 | 0 | 0 | 0 | 112.1 | A918 H919 Q964 | T915-A918 PolarHBondContact O-N 3.08Å; T915-H919 VanDerWaalsContact CG2-CE1 3.49Å; T915-H919 WeakPolarHBondContact CG2-CE1 3.49Å; T915-H919 PolarHBondContact O-N 3.43Å; T915-H919 VanDerWaalsContact O-N 3.17Å; T915-H919 PolarHBondContact O-ND1 3.3Å; T915-Q964 WeakPolarHBondContact CG2-O 3.31Å; T915-Q964 PolarHBondContact OG1-OE1 3.11Å |
| 916 | L | 90.6 | Very high | 88.2 | Confident | 116 Ų | 116 | 36.7 Ų | 36.7 | 61% | 0.607 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -67.6 | -39.7 | -179.5 | -65.3 | 174.9 | 0 | 0 | 0 | 111.5 | D914 A918 H919 Y920 | D914-L916 PolarHBondContact O-N 2.68Å; D914-L916 WeakPolarHBondContact OD1-CB 3.36Å; D914-L916 PolarHBondContact OD1-N 3.33Å; L916-A918 PolarHBondContact O-N 3.39Å; L916-H919 PolarHBondContact O-N 3.4Å; L916-Y920 VanDerWaalsContact O-CB 3.31Å; L916-Y920 WeakPolarHBondContact O-CB 3.46Å; L916-Y920 PolarHBondContact O-N 3.05Å |
| 917 | F | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 174.5 | -176.7 | -105.4 | 0 | 0 | 0 | 112.4 | A875 L878 L887 F907 C910 V911 D914 H919 Y920 C921 | A875-F917 HydrophobicContact CB-CB 3.83Å; A875-F917 HydrophobicContact CB-CD2 4.18Å; A875-F917 HydrophobicContact CB-CG 3.93Å; L878-F917 HydrophobicContact CB-CD2 4.35Å; L878-F917 HydrophobicContact CB-CE2 3.74Å; L878-F917 HydrophobicContact CD1-CE2 4.01Å; L878-F917 HydrophobicContact CD1-CZ 4.16Å; L887-F917 HydrophobicContact CD1-CE2 4.4Å; L887-F917 HydrophobicContact CD1-CZ 4.44Å; F907-F917 HydrophobicContact CD2-CZ 4.48Å; C910-F917 HydrophobicContact CB-CD1 3.68Å; C910-F917 HydrophobicContact CB-CE1 3.57Å; C910-F917 HydrophobicContact CB-CG 4.39Å; C910-F917 HydrophobicContact CB-CZ 4.22Å; V911-F917 HydrophobicContact CG2-CD1 3.92Å; V911-F917 HydrophobicContact CG2-CE1 3.98Å; D914-F917 HydrophobicContact CB-CB 4.18Å; D914-F917 PolarHBondContact O-N 2.91Å; D914-F917 PolarHBondContact OD2-N 2.92Å; F917-H919 PolarHBondContact O-N 3.45Å; F917-Y920 PolarHBondContact O-N 2.84Å; F917-C921 PolarHBondContact O-N 3.32Å; F917-C921 PolarHBondContact O-SG 3.49Å |
| 918 | A | 91 | Very high | 88.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.7 | -48.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V911 D914 T915 L916 Y920 C921 M922 F961 Q964 L965 | V911-A918 HydrophobicContact CG1-CB 4.2Å; D914-A918 PolarHBondContact O-N 3.1Å; T915-A918 PolarHBondContact O-N 3.08Å; L916-A918 PolarHBondContact O-N 3.39Å; A918-Y920 VanDerWaalsContact C-N 3.33Å; A918-Y920 PolarHBondContact O-N 2.99Å; A918-C921 PolarHBondContact O-N 3.5Å; A918-M922 WeakPolarHBondContact O-CG 3.47Å; A918-M922 PolarHBondContact O-N 3.5Å; A918-M922 VanDerWaalsContact O-N 3.13Å; A918-F961 HydrophobicContact CB-CD1 4.07Å; A918-F961 HydrophobicContact CB-CE1 4.08Å; A918-Q964 HydrophobicContact CB-CB 3.9Å; A918-L965 HydrophobicContact CB-CD2 4.37Å |
| 919 | H | 91 | Very high | 88.4 | Confident | 83 Ų | 83 | 39.9 Ų | 39.9 | 38% | 0.384 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 176 | -74.8 | 84.7 | 0 | 0 | 0 | 112.3 | T915 L916 F917 M922 K923 L965 | T915-H919 VanDerWaalsContact CG2-CE1 3.49Å; T915-H919 WeakPolarHBondContact CG2-CE1 3.49Å; T915-H919 PolarHBondContact O-N 3.43Å; T915-H919 VanDerWaalsContact O-N 3.17Å; T915-H919 PolarHBondContact O-ND1 3.3Å; L916-H919 PolarHBondContact O-N 3.4Å; F917-H919 PolarHBondContact O-N 3.45Å; H919-M922 PolarHBondContact O-N 2.9Å; H919-K923 WeakPolarHBondContact O-CB 3.17Å; H919-K923 PolarHBondContact O-N 3.15Å; H919-L965 HydrophobicContact CB-CD2 4.48Å |
| 920 | Y | 92 | Very high | 88.7 | Confident | 44 Ų | 44 | 43.7 Ų | 43.7 | 17% | 0.173 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -48.7 | 179.2 | -173.2 | -104.7 | 0 | 0 | 0 | 111.7 | C879 L887 L916 F917 A918 M922 K923 K924 F925 | C879-Y920 HydrophobicContact CB-CD1 4.48Å; L887-Y920 HydrophobicContact CD2-CD1 4.15Å; L887-Y920 HydrophobicContact CD2-CE1 3.82Å; L916-Y920 VanDerWaalsContact O-CB 3.31Å; L916-Y920 WeakPolarHBondContact O-CB 3.46Å; L916-Y920 PolarHBondContact O-N 3.05Å; F917-Y920 PolarHBondContact O-N 2.84Å; A918-Y920 VanDerWaalsContact C-N 3.33Å; A918-Y920 PolarHBondContact O-N 2.99Å; Y920-M922 VanDerWaalsContact C-N 3.3Å; Y920-M922 PolarHBondContact O-N 3.22Å; Y920-K923 PolarHBondContact O-N 3.31Å; Y920-K924 HydrophobicContact CD2-CG 4.34Å; Y920-K924 HydrophobicContact CE2-CG 3.97Å; Y920-K924 WeakPolarHBondContact O-CB 3.45Å; Y920-K924 PolarHBondContact O-N 3.1Å; Y920-F925 HydrophobicContact CE1-CD2 4.44Å; Y920-F925 AromaticContact CE1-CE2 3.9Å; Y920-F925 HydrophobicContact CE1-CE2 3.9Å |
| 921 | C | 90.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.1 | -43.2 | 174.3 | -73.7 | 0 | 0 | 0 | 0 | 111.8 | F917 A918 F925 Y928 F961 | F917-C921 PolarHBondContact O-N 3.32Å; F917-C921 PolarHBondContact O-SG 3.49Å; A918-C921 PolarHBondContact O-N 3.5Å; C921-F925 CarbonylContact O-C 3.55Å; C921-F925 WeakPolarHBondContact O-CA 3.4Å; C921-F925 WeakPolarHBondContact O-CB 3.45Å; C921-F925 PolarHBondContact O-N 2.9Å; C921-F925 VanDerWaalsContact O-O 3.14Å; C921-Y928 HydrophobicContact CB-CD1 4.2Å; C921-F961 HydrophobicContact CB-CE1 4.14Å; C921-F961 HydrophobicContact CB-CZ 4.15Å |
| 922 | M | 88.9 | Confident | 89 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 20% | 0.197 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.2 | -40.8 | -179.8 | -68.7 | -54.5 | 84 | 0 | 0 | 113.3 | A918 H919 Y920 L929 F961 L965 P969 | A918-M922 WeakPolarHBondContact O-CG 3.47Å; A918-M922 PolarHBondContact O-N 3.5Å; A918-M922 VanDerWaalsContact O-N 3.13Å; H919-M922 PolarHBondContact O-N 2.9Å; Y920-M922 VanDerWaalsContact C-N 3.3Å; Y920-M922 PolarHBondContact O-N 3.22Å; M922-L929 HydrophobicContact CE-CD1 3.85Å; M922-L929 HydrophobicContact CE-CD2 4Å; M922-L929 HydrophobicContact CE-CG 3.57Å; M922-L929 HydrophobicContact SD-CD1 3.42Å; M922-L929 WeakPolarHBondContact SD-CD1 3.42Å; M922-L929 HydrophobicContact SD-CD2 4.39Å; M922-L929 HydrophobicContact SD-CG 3.89Å; M922-F961 HydrophobicContact CE-CD1 4.14Å; M922-F961 HydrophobicContact CE-CE1 3.6Å; M922-F961 HydrophobicContact CE-CZ 3.92Å; M922-F961 HydrophobicContact CG-CD1 4.3Å; M922-F961 HydrophobicContact CG-CE1 4.28Å; M922-F961 HydrophobicContact SD-CD1 4.26Å; M922-F961 HydrophobicContact SD-CE1 4.27Å; M922-L965 HydrophobicContact CG-CD1 3.63Å; M922-L965 HydrophobicContact CG-CD2 4.15Å; M922-L965 HydrophobicContact SD-CD1 4.34Å; M922-P969 HydrophobicContact SD-CG 4.39Å |
| 923 | K | 88.6 | Confident | 89.6 | Confident | 179 Ų | 179 | 42.2 Ų | 42.2 | 78% | 0.778 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -73.6 | -38.2 | -177.3 | -174.3 | 176.5 | 179.7 | 178.7 | 0 | 112.8 | H919 Y920 | H919-K923 WeakPolarHBondContact O-CB 3.17Å; H919-K923 PolarHBondContact O-N 3.15Å; Y920-K923 PolarHBondContact O-N 3.31Å |
| 924 | K | 88.4 | Confident | 90.2 | Very high | 99 Ų | 99 | 43.7 Ų | 43.7 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -104.9 | -28.5 | -171.5 | -71.2 | -75.6 | -166 | 147.3 | 0 | 113.8 | E884 Y920 | E884-K924 IonicContact OE2-NZ 2.88Å; Y920-K924 HydrophobicContact CD2-CG 4.34Å; Y920-K924 HydrophobicContact CE2-CG 3.97Å; Y920-K924 WeakPolarHBondContact O-CB 3.45Å; Y920-K924 PolarHBondContact O-N 3.1Å |
| 925 | F | 88.1 | Confident | 90.4 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 4% | 0.044 | 22% | 0.217 | C | C | . | . | trans | -137.5 | 57.8 | -169.6 | -58.2 | -70.3 | 0 | 0 | 0 | 113.1 | E884 L887 R888 I891 Y920 C921 V927 Y928 | E884-F925 HydrophobicContact CG-CE2 4.22Å; E884-F925 HydrophobicContact CG-CZ 3.56Å; L887-F925 HydrophobicContact CD2-CD2 3.84Å; L887-F925 HydrophobicContact CD2-CE2 3.62Å; L887-F925 HydrophobicContact CD2-CZ 4.46Å; L887-F925 HydrophobicContact CG-CD2 4.47Å; L887-F925 HydrophobicContact CG-CE2 4.29Å; R888-F925 HydrophobicContact CG-CD1 4.2Å; R888-F925 HydrophobicContact CG-CE1 3.37Å; R888-F925 HydrophobicContact CG-CZ 4.02Å; I891-F925 HydrophobicContact CD1-CB 3.66Å; I891-F925 HydrophobicContact CD1-CD1 4.01Å; I891-F925 HydrophobicContact CD1-CD2 4.41Å; I891-F925 HydrophobicContact CD1-CG 3.76Å; Y920-F925 HydrophobicContact CE1-CD2 4.44Å; Y920-F925 AromaticContact CE1-CE2 3.9Å; Y920-F925 HydrophobicContact CE1-CE2 3.9Å; C921-F925 CarbonylContact O-C 3.55Å; C921-F925 WeakPolarHBondContact O-CA 3.4Å; C921-F925 WeakPolarHBondContact O-CB 3.45Å; C921-F925 PolarHBondContact O-N 2.9Å; C921-F925 VanDerWaalsContact O-O 3.14Å; F925-V927 PolarHBondContact O-N 3.38Å; F925-Y928 WeakPolarHBondContact O-CB 3.49Å; F925-Y928 PolarHBondContact O-N 2.87Å | ||
| 926 | P | 85.6 | Confident | 90.5 | Very high | 60 Ų | 60 | 41.3 Ų | 41.3 | 39% | 0.39 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27 | 178.9 | 24.7 | -34.6 | 0 | 0 | 0 | 112.9 | Y928 L929 I971 | P926-Y928 PolarHBondContact O-N 3.06Å; P926-Y928 VanDerWaalsContact O-N 3.07Å; P926-L929 PolarHBondContact O-N 2.59Å; P926-I971 HydrophobicContact CB-CD1 4.2Å |
| 927 | V | 89.9 | Confident | 90.5 | Very high | 69 Ų | 69 | 41.6 Ų | 41.6 | 42% | 0.418 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -53.9 | -24.2 | 173.2 | 176 | 0 | 0 | 0 | 0 | 113 | W895 F925 L929 E930 A931 | W895-V927 HydrophobicContact CH2-CG1 3.8Å; F925-V927 PolarHBondContact O-N 3.38Å; V927-L929 VanDerWaalsContact C-N 3.33Å; V927-L929 PolarHBondContact O-N 3.34Å; V927-E930 WeakPolarHBondContact O-CB 3.44Å; V927-E930 PolarHBondContact O-N 2.89Å; V927-A931 PolarHBondContact O-N 3.04Å |
| 928 | Y | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 175.2 | 178.2 | -149.5 | 0 | 0 | 0 | 112.1 | L894 F907 C921 F925 P926 E930 A931 L932 F961 | L894-Y928 HydrophobicContact CD1-CD2 3.37Å; L894-Y928 HydrophobicContact CD1-CE2 3.36Å; F907-Y928 HydrophobicContact CB-CE1 4.4Å; F907-Y928 WeakPolarHBondContact CB-OH 3.1Å; F907-Y928 HydrophobicContact CD2-CD1 4.31Å; F907-Y928 HydrophobicContact CD2-CD2 4.4Å; F907-Y928 AromaticContact CD2-CE1 3.71Å; F907-Y928 HydrophobicContact CD2-CE1 3.71Å; F907-Y928 AromaticContact CD2-CE2 3.87Å; F907-Y928 HydrophobicContact CD2-CE2 3.87Å; F907-Y928 AromaticContact CD2-CZ 3.51Å; C921-Y928 HydrophobicContact CB-CD1 4.2Å; F925-Y928 WeakPolarHBondContact O-CB 3.49Å; F925-Y928 PolarHBondContact O-N 2.87Å; P926-Y928 PolarHBondContact O-N 3.06Å; P926-Y928 VanDerWaalsContact O-N 3.07Å; Y928-E930 VanDerWaalsContact C-N 3.33Å; Y928-E930 PolarHBondContact O-N 3.4Å; Y928-A931 WeakPolarHBondContact O-CB 3.25Å; Y928-A931 PolarHBondContact O-N 3.26Å; Y928-L932 HydrophobicContact CD2-CD1 4.38Å; Y928-L932 HydrophobicContact CD2-CG 4.14Å; Y928-L932 HydrophobicContact CE2-CD1 3.81Å; Y928-L932 HydrophobicContact CE2-CD2 3.84Å; Y928-L932 HydrophobicContact CE2-CG 3.66Å; Y928-L932 WeakPolarHBondContact O-CG 2.98Å; Y928-L932 PolarHBondContact O-N 2.8Å; Y928-L932 VanDerWaalsContact O-N 3.13Å; Y928-F961 HydrophobicContact CD1-CE2 4.01Å; Y928-F961 AromaticContact CD1-CZ 3.68Å; Y928-F961 HydrophobicContact CD1-CZ 3.68Å; Y928-F961 AromaticContact CE1-CE2 3.52Å; Y928-F961 HydrophobicContact CE1-CE2 3.52Å; Y928-F961 AromaticContact CE1-CZ 3.46Å; Y928-F961 HydrophobicContact CE1-CZ 3.46Å; Y928-F961 VanDerWaalsContact CE1-CZ 3.46Å |
| 929 | L | 91.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.9 | -36.2 | 175.5 | -66.7 | -175.5 | 0 | 0 | 0 | 112 | M922 P926 V927 A931 L932 L933 L958 F961 P969 I971 I972 | M922-L929 HydrophobicContact CE-CD1 3.85Å; M922-L929 HydrophobicContact CE-CD2 4Å; M922-L929 HydrophobicContact CE-CG 3.57Å; M922-L929 HydrophobicContact SD-CD1 3.42Å; M922-L929 WeakPolarHBondContact SD-CD1 3.42Å; M922-L929 HydrophobicContact SD-CD2 4.39Å; M922-L929 HydrophobicContact SD-CG 3.89Å; P926-L929 PolarHBondContact O-N 2.59Å; V927-L929 VanDerWaalsContact C-N 3.33Å; V927-L929 PolarHBondContact O-N 3.34Å; L929-A931 VanDerWaalsContact C-N 3.35Å; L929-L932 HydrophobicContact CD2-CD1 4.34Å; L929-L932 PolarHBondContact O-N 2.78Å; L929-L933 WeakPolarHBondContact O-CG 3.35Å; L929-L933 PolarHBondContact O-N 3.18Å; L929-L958 HydrophobicContact CD2-CD2 3.93Å; L929-F961 HydrophobicContact CD2-CD2 3.77Å; L929-F961 HydrophobicContact CD2-CE2 3.9Å; L929-F961 HydrophobicContact CD2-CG 4.24Å; L929-F961 HydrophobicContact CD2-CZ 4.46Å; L929-P969 HydrophobicContact CD1-CB 3.94Å; L929-P969 HydrophobicContact CD1-CG 4.36Å; L929-I971 HydrophobicContact CB-CD1 4.34Å; L929-I971 HydrophobicContact CB-CG2 4.05Å; L929-I971 HydrophobicContact CD1-CB 4.23Å; L929-I971 HydrophobicContact CD1-CD1 4.38Å; L929-I972 HydrophobicContact CD1-CD1 4.48Å; L929-I972 HydrophobicContact CD1-CG1 4.21Å |
| 930 | E | 90.3 | Very high | 89.7 | Confident | 94 Ų | 94 | 43.5 Ų | 43.5 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 175.3 | -63.1 | 177 | 178.4 | 0 | 0 | 111.2 | V927 Y928 L932 L933 D934 | V927-E930 WeakPolarHBondContact O-CB 3.44Å; V927-E930 PolarHBondContact O-N 2.89Å; Y928-E930 VanDerWaalsContact C-N 3.33Å; Y928-E930 PolarHBondContact O-N 3.4Å; E930-L932 VanDerWaalsContact C-N 3.34Å; E930-L932 PolarHBondContact O-N 3.2Å; E930-L933 PolarHBondContact O-N 2.75Å; E930-D934 PolarHBondContact O-N 3.03Å |
| 931 | A | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L894 W895 V927 Y928 L929 D934 L935 | L894-A931 HydrophobicContact CB-CB 4.07Å; L894-A931 HydrophobicContact CD1-CB 3.7Å; W895-A931 HydrophobicContact CD2-CB 4.38Å; W895-A931 HydrophobicContact CE3-CB 4.28Å; W895-A931 HydrophobicContact CH2-CB 3.25Å; W895-A931 HydrophobicContact CZ2-CB 3.33Å; W895-A931 HydrophobicContact CZ3-CB 3.75Å; V927-A931 PolarHBondContact O-N 3.04Å; Y928-A931 WeakPolarHBondContact O-CB 3.25Å; Y928-A931 PolarHBondContact O-N 3.26Å; L929-A931 VanDerWaalsContact C-N 3.35Å; A931-D934 PolarHBondContact O-N 3.34Å; A931-L935 PolarHBondContact O-N 3.35Å; A931-L935 VanDerWaalsContact O-N 3.09Å |
| 932 | L | 93.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 175.3 | -72.5 | 179.4 | 0 | 0 | 0 | 111.2 | Y928 L929 E930 D934 L935 L936 V954 L958 F961 | Y928-L932 HydrophobicContact CD2-CD1 4.38Å; Y928-L932 HydrophobicContact CD2-CG 4.14Å; Y928-L932 HydrophobicContact CE2-CD1 3.81Å; Y928-L932 HydrophobicContact CE2-CD2 3.84Å; Y928-L932 HydrophobicContact CE2-CG 3.66Å; Y928-L932 WeakPolarHBondContact O-CG 2.98Å; Y928-L932 PolarHBondContact O-N 2.8Å; Y928-L932 VanDerWaalsContact O-N 3.13Å; L929-L932 HydrophobicContact CD2-CD1 4.34Å; L929-L932 PolarHBondContact O-N 2.78Å; E930-L932 VanDerWaalsContact C-N 3.34Å; E930-L932 PolarHBondContact O-N 3.2Å; L932-D934 VanDerWaalsContact C-N 3.32Å; L932-D934 PolarHBondContact O-N 2.89Å; L932-L935 WeakPolarHBondContact O-CB 3.24Å; L932-L935 PolarHBondContact O-N 2.86Å; L932-L936 PolarHBondContact O-N 3.36Å; L932-L936 VanDerWaalsContact O-N 3.14Å; L932-V954 HydrophobicContact CB-CG1 3.79Å; L932-V954 HydrophobicContact CD2-CG1 4.32Å; L932-V954 HydrophobicContact CD2-CG2 4.02Å; L932-V954 WeakPolarHBondContact O-CG1 3.43Å; L932-L958 HydrophobicContact CB-CD2 4.46Å; L932-L958 HydrophobicContact CD1-CD2 4.15Å; L932-F961 HydrophobicContact CD1-CE2 4.4Å |
| 933 | L | 92.8 | Very high | 88.7 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 177.2 | -69.9 | 171.7 | 0 | 0 | 0 | 112.8 | L929 E930 L936 R937 L958 I971 N975 F979 | L929-L933 WeakPolarHBondContact O-CG 3.35Å; L929-L933 PolarHBondContact O-N 3.18Å; E930-L933 PolarHBondContact O-N 2.75Å; L933-L936 HydrophobicContact CD2-CD1 4.33Å; L933-L936 WeakPolarHBondContact O-CB 3.38Å; L933-L936 PolarHBondContact O-N 3.43Å; L933-R937 VanDerWaalsContact O-CG 3.31Å; L933-R937 WeakPolarHBondContact O-CG 2.97Å; L933-R937 PolarHBondContact O-N 3Å; L933-L958 HydrophobicContact CD2-CD1 4.32Å; L933-I971 HydrophobicContact CD1-CG2 3.64Å; L933-N975 HydrophobicContact CD1-CB 4.43Å; L933-N975 WeakPolarHBondContact CD1-ND2 3.23Å; L933-N975 HydrophobicContact CD2-CB 4.1Å; L933-F979 HydrophobicContact CD2-CE1 3.94Å; L933-F979 HydrophobicContact CD2-CZ 3.77Å |
| 934 | D | 90.9 | Very high | 88 | Confident | 42 Ų | 42 | 48.4 Ų | 48.4 | 23% | 0.225 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.7 | -37.2 | 175 | -76.9 | -11 | 0 | 0 | 0 | 112.5 | W895 E930 A931 L932 L936 R937 G938 S939 | W895-D934 PolarHBondContact NE1-OD2 3.37Å; E930-D934 PolarHBondContact O-N 3.03Å; A931-D934 PolarHBondContact O-N 3.34Å; L932-D934 VanDerWaalsContact C-N 3.32Å; L932-D934 PolarHBondContact O-N 2.89Å; D934-L936 VanDerWaalsContact C-N 3.33Å; D934-L936 PolarHBondContact O-N 3.46Å; D934-R937 PolarHBondContact O-N 3.47Å; D934-R937 IonicContact OD1-NH1 3.49Å; D934-R937 PolarHBondContact OD1-NH1 3.44Å; D934-G938 PolarHBondContact O-N 3.28Å; D934-S939 WeakPolarHBondContact O-CB 3.17Å; D934-S939 PolarHBondContact O-N 2.96Å; D934-S939 PolarHBondContact O-OG 3.21Å |
| 935 | L | 90.9 | Very high | 87 | Confident | 16 Ų | 16 | 46.1 Ų | 46.1 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 170.8 | -76.5 | 172.7 | 0 | 0 | 0 | 111.6 | L894 C900 A931 L932 R937 G938 V940 V954 | L894-L935 HydrophobicContact CB-CD1 4.2Å; L894-L935 HydrophobicContact CD2-CD1 4.08Å; L894-L935 WeakPolarHBondContact O-CD2 3.42Å; C900-L935 HydrophobicContact CB-CD2 4.2Å; A931-L935 PolarHBondContact O-N 3.35Å; A931-L935 VanDerWaalsContact O-N 3.09Å; L932-L935 WeakPolarHBondContact O-CB 3.24Å; L932-L935 PolarHBondContact O-N 2.86Å; L935-R937 VanDerWaalsContact C-N 3.34Å; L935-R937 PolarHBondContact O-N 2.86Å; L935-G938 PolarHBondContact O-N 3.1Å; L935-G938 VanDerWaalsContact O-N 3.15Å; L935-V940 HydrophobicContact CD2-CB 3.95Å; L935-V940 HydrophobicContact CD2-CG2 3.7Å; L935-V954 HydrophobicContact CB-CG2 3.94Å; L935-V954 HydrophobicContact CD1-CG2 4.27Å |
| 936 | L | 90.1 | Very high | 86.6 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 174.9 | -76.1 | 170.7 | 0 | 0 | 0 | 112.9 | L932 L933 D934 G938 V951 V954 M955 L958 F979 M982 | L932-L936 PolarHBondContact O-N 3.36Å; L932-L936 VanDerWaalsContact O-N 3.14Å; L933-L936 HydrophobicContact CD2-CD1 4.33Å; L933-L936 WeakPolarHBondContact O-CB 3.38Å; L933-L936 PolarHBondContact O-N 3.43Å; D934-L936 VanDerWaalsContact C-N 3.33Å; D934-L936 PolarHBondContact O-N 3.46Å; L936-G938 PolarHBondContact O-N 2.89Å; L936-V951 HydrophobicContact CD2-CB 4.39Å; L936-V951 HydrophobicContact CD2-CG1 4.07Å; L936-V951 HydrophobicContact CD2-CG2 4.41Å; L936-V954 HydrophobicContact CD1-CB 4.29Å; L936-V954 HydrophobicContact CD1-CG1 3.47Å; L936-V954 VanDerWaalsContact CD1-CG1 3.47Å; L936-V954 HydrophobicContact CD2-CB 3.97Å; L936-V954 HydrophobicContact CD2-CG1 4.06Å; L936-V954 HydrophobicContact CG-CB 3.84Å; L936-V954 HydrophobicContact CG-CG1 3.46Å; L936-V954 VanDerWaalsContact CG-CG1 3.46Å; L936-V954 HydrophobicContact CG-CG2 4.45Å; L936-M955 HydrophobicContact CD1-SD 4.02Å; L936-M955 HydrophobicContact CD2-CG 4.11Å; L936-M955 HydrophobicContact CD2-SD 4.21Å; L936-L958 HydrophobicContact CD1-CD1 4.07Å; L936-F979 HydrophobicContact CD1-CE1 3.99Å; L936-M982 HydrophobicContact CD2-CE 4Å; L936-M982 HydrophobicContact CD2-SD 4.38Å |
| 937 | R | 89.5 | Confident | 86.5 | Confident | 121 Ų | 121 | 52.3 Ų | 52.3 | 46% | 0.457 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.3 | -10.3 | 177.4 | -67.9 | 167 | -170.8 | 154.2 | -3.2 | 112.9 | L933 D934 L935 N975 | L933-R937 VanDerWaalsContact O-CG 3.31Å; L933-R937 WeakPolarHBondContact O-CG 2.97Å; L933-R937 PolarHBondContact O-N 3Å; D934-R937 PolarHBondContact O-N 3.47Å; D934-R937 IonicContact OD1-NH1 3.49Å; D934-R937 PolarHBondContact OD1-NH1 3.44Å; L935-R937 VanDerWaalsContact C-N 3.34Å; L935-R937 PolarHBondContact O-N 2.86Å; R937-N975 PolarHBondContact NH2-OD1 2.78Å |
| 938 | G | 85.3 | Confident | 85.9 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 34% | 0.34 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 26.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D934 L935 L936 V940 | D934-G938 PolarHBondContact O-N 3.28Å; L935-G938 PolarHBondContact O-N 3.1Å; L935-G938 VanDerWaalsContact O-N 3.15Å; L936-G938 PolarHBondContact O-N 2.89Å; G938-V940 PolarHBondContact O-N 2.74Å |
| 939 | S | 85.5 | Confident | 85.3 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 53% | 0.531 | 27% | 0.273 | S | S | . | . | trans | -65.3 | -17.5 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 113.6 | D934 | D934-S939 WeakPolarHBondContact O-CB 3.17Å; D934-S939 PolarHBondContact O-N 2.96Å; D934-S939 PolarHBondContact O-OG 3.21Å | ||
| 940 | V | 86.5 | Confident | 85 | Confident | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -111.9 | 126.1 | 178.8 | -175 | 0 | 0 | 0 | 0 | 109.8 | L935 G938 V942 | L935-V940 HydrophobicContact CD2-CB 3.95Å; L935-V940 HydrophobicContact CD2-CG2 3.7Å; G938-V940 PolarHBondContact O-N 2.74Å; V940-V942 HydrophobicContact CG1-CG1 4.13Å; V940-V942 PolarHBondContact O-N 3.03Å |
| 941 | S | 86.3 | Confident | 84.9 | Confident | 101 Ų | 101 | 47 Ų | 47 | 71% | 0.706 | 26% | 0.257 | S | S | * | . | trans | -75.2 | 113 | 177.2 | 61.1 | 0 | 0 | 0 | 0 | 110.9 | S897 | S897-S941 VanDerWaalsContact CB-O 3.29Å; S897-S941 WeakPolarHBondContact CB-O 3.45Å; S897-S941 PolarHBondContact OG-O 2.79Å | ||
| 942 | V | 84.3 | Confident | 84.5 | Confident | 38 Ų | 38 | 47 Ų | 47 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | trans | -129.4 | 167.8 | 177.7 | -65.7 | 0 | 0 | 0 | 0 | 110.3 | V940 D946 R947 L950 | V940-V942 HydrophobicContact CG1-CG1 4.13Å; V940-V942 PolarHBondContact O-N 3.03Å; V942-D946 HydrophobicContact CB-CB 4.06Å; V942-D946 HydrophobicContact CG2-CB 4.37Å; V942-R947 HydrophobicContact CG2-CB 3.83Å; V942-R947 HydrophobicContact CG2-CG 4.43Å; V942-L950 HydrophobicContact CB-CD1 4.28Å; V942-L950 HydrophobicContact CG1-CD1 3.83Å; V942-L950 HydrophobicContact CG2-CD1 3.96Å | ||
| 943 | S | 80 | Confident | 84.1 | Confident | 57 Ų | 57 | 47.1 Ų | 47.1 | 40% | 0.399 | 26% | 0.257 | S | S | . | . | trans | -62.5 | 156.8 | 174.6 | 83.2 | 0 | 0 | 0 | 0 | 111 | S945 D946 R947 | S943-S945 PolarHBondContact O-N 3.34Å; S943-D946 WeakPolarHBondContact CB-OD2 3.44Å; S943-D946 PolarHBondContact O-N 3.44Å; S943-D946 PolarHBondContact OG-N 3.37Å; S943-D946 VanDerWaalsContact OG-N 3.12Å; S943-D946 PolarHBondContact OG-OD2 3.4Å; S943-R947 PolarHBondContact O-N 3.1Å | ||
| 944 | K | 74.3 | Confident | 84.1 | Confident | 169 Ų | 169 | 46.9 Ų | 46.9 | 74% | 0.735 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -56.4 | -39.5 | 177.3 | -71.2 | -175.4 | -179.7 | 180 | 0 | 111.8 | R947 V948 M1068 | K944-R947 PolarHBondContact O-N 3.16Å; K944-V948 PolarHBondContact O-N 3.3Å; K944-M1068 HydrophobicContact CB-CE 4.24Å; K944-M1068 HydrophobicContact CB-SD 4Å |
| 945 | S | 68.6 | Low | 84.1 | Confident | 51 Ų | 51 | 44.9 Ų | 44.9 | 36% | 0.357 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 176.8 | -173.4 | 0 | 0 | 0 | 0 | 112 | S943 R947 V948 T949 | S943-S945 PolarHBondContact O-N 3.34Å; S945-R947 VanDerWaalsContact C-N 3.31Å; S945-R947 PolarHBondContact O-N 3.28Å; S945-V948 PolarHBondContact O-N 3.33Å; S945-T949 PolarHBondContact O-N 2.89Å; S945-T949 PolarHBondContact O-OG1 3.35Å |
| 946 | D | 77.7 | Confident | 84 | Confident | 59 Ų | 59 | 44.1 Ų | 44.1 | 32% | 0.316 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.2 | -33.6 | 179.2 | -59 | -37.3 | 0 | 0 | 0 | 111.3 | I901 V942 S943 V948 T949 L950 | I901-D946 HydrophobicContact CD1-CB 4.32Å; V942-D946 HydrophobicContact CB-CB 4.06Å; V942-D946 HydrophobicContact CG2-CB 4.37Å; S943-D946 WeakPolarHBondContact CB-OD2 3.44Å; S943-D946 PolarHBondContact O-N 3.44Å; S943-D946 PolarHBondContact OG-N 3.37Å; S943-D946 VanDerWaalsContact OG-N 3.12Å; S943-D946 PolarHBondContact OG-OD2 3.4Å; D946-V948 VanDerWaalsContact C-N 3.33Å; D946-V948 PolarHBondContact O-N 3.19Å; D946-T949 PolarHBondContact O-N 3.19Å; D946-L950 VanDerWaalsContact O-CB 3.32Å; D946-L950 WeakPolarHBondContact O-CB 3.31Å; D946-L950 WeakPolarHBondContact O-CG 3.32Å; D946-L950 PolarHBondContact O-N 3.27Å |
| 947 | R | 84.2 | Confident | 84 | Confident | 142 Ų | 142 | 43.6 Ų | 43.6 | 54% | 0.536 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 176 | -168.5 | 174.6 | -179.2 | 177.3 | 1.5 | 111.9 | V942 S943 K944 S945 T949 V951 | V942-R947 HydrophobicContact CG2-CB 3.83Å; V942-R947 HydrophobicContact CG2-CG 4.43Å; S943-R947 PolarHBondContact O-N 3.1Å; K944-R947 PolarHBondContact O-N 3.16Å; S945-R947 VanDerWaalsContact C-N 3.31Å; S945-R947 PolarHBondContact O-N 3.28Å; R947-T949 VanDerWaalsContact C-N 3.35Å; R947-V951 VanDerWaalsContact O-CG2 3.27Å; R947-V951 WeakPolarHBondContact O-CG2 3.38Å; R947-V951 PolarHBondContact O-N 3.43Å |
| 948 | V | 78.7 | Confident | 84.2 | Confident | 22 Ų | 22 | 37.9 Ų | 37.9 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 177.3 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | K944 S945 D946 V951 E952 H991 M1068 | K944-V948 PolarHBondContact O-N 3.3Å; S945-V948 PolarHBondContact O-N 3.33Å; D946-V948 VanDerWaalsContact C-N 3.33Å; D946-V948 PolarHBondContact O-N 3.19Å; V948-V951 PolarHBondContact O-N 3.48Å; V948-E952 PolarHBondContact O-N 3.24Å; V948-H991 PolarHBondContact O-NE2 3.26Å; V948-M1068 HydrophobicContact CG2-CG 4.32Å; V948-M1068 HydrophobicContact CG2-SD 4.16Å |
| 949 | T | 78.4 | Confident | 84.5 | Confident | 13 Ų | 13 | 36.3 Ų | 36.3 | 8% | 0.08 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 179.8 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | I901 S945 D946 R947 E952 L953 Q1074 I1075 | I901-T949 HydrophobicContact CD1-CG2 4.08Å; S945-T949 PolarHBondContact O-N 2.89Å; S945-T949 PolarHBondContact O-OG1 3.35Å; D946-T949 PolarHBondContact O-N 3.19Å; R947-T949 VanDerWaalsContact C-N 3.35Å; T949-E952 PolarHBondContact O-N 3.34Å; T949-L953 VanDerWaalsContact O-CB 3.3Å; T949-L953 WeakPolarHBondContact O-CB 3.17Å; T949-L953 PolarHBondContact O-N 2.91Å; T949-Q1074 HydrophobicContact CG2-CB 4.09Å; T949-I1075 HydrophobicContact CG2-CD1 4.23Å |
| 950 | L | 85.9 | Confident | 84.6 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.9 | -39.6 | 179.4 | -80.5 | 167.3 | 0 | 0 | 0 | 112.4 | I901 A904 V942 D946 L953 V954 | I901-L950 HydrophobicContact CB-CD2 4.16Å; I901-L950 HydrophobicContact CB-CG 4.48Å; I901-L950 HydrophobicContact CG1-CD2 4.27Å; I901-L950 HydrophobicContact CG1-CG 4.42Å; A904-L950 HydrophobicContact CB-CD2 4.43Å; V942-L950 HydrophobicContact CB-CD1 4.28Å; V942-L950 HydrophobicContact CG1-CD1 3.83Å; V942-L950 HydrophobicContact CG2-CD1 3.96Å; D946-L950 VanDerWaalsContact O-CB 3.32Å; D946-L950 WeakPolarHBondContact O-CB 3.31Å; D946-L950 WeakPolarHBondContact O-CG 3.32Å; D946-L950 PolarHBondContact O-N 3.27Å; L950-L953 PolarHBondContact O-N 3.27Å; L950-V954 WeakPolarHBondContact O-CB 3.22Å; L950-V954 VanDerWaalsContact O-CG2 3.23Å; L950-V954 WeakPolarHBondContact O-CG2 3.33Å; L950-V954 PolarHBondContact O-N 3.39Å |
| 951 | V | 88 | Confident | 84.8 | Confident | 10 Ų | 10 | 32 Ų | 32 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.7 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | L936 R947 V948 M955 M982 H991 | L936-V951 HydrophobicContact CD2-CB 4.39Å; L936-V951 HydrophobicContact CD2-CG1 4.07Å; L936-V951 HydrophobicContact CD2-CG2 4.41Å; R947-V951 VanDerWaalsContact O-CG2 3.27Å; R947-V951 WeakPolarHBondContact O-CG2 3.38Å; R947-V951 PolarHBondContact O-N 3.43Å; V948-V951 PolarHBondContact O-N 3.48Å; V951-M955 VanDerWaalsContact O-CG 3.28Å; V951-M955 WeakPolarHBondContact O-CG 3.3Å; V951-M955 PolarHBondContact O-N 2.92Å; V951-M955 VanDerWaalsContact O-N 3.15Å; V951-M982 HydrophobicContact CG1-CE 3.6Å; V951-H991 HydrophobicContact CG1-CB 4.33Å |
| 952 | E | 82.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.1 | -48.8 | 175.7 | -172.8 | 178.8 | 165.5 | 0 | 0 | 111.3 | V948 T949 V954 M955 H956 P1073 Q1074 I1075 | V948-E952 PolarHBondContact O-N 3.24Å; T949-E952 PolarHBondContact O-N 3.34Å; E952-V954 VanDerWaalsContact C-N 3.35Å; E952-V954 PolarHBondContact O-N 2.77Å; E952-M955 PolarHBondContact O-N 3.16Å; E952-H956 WeakPolarHBondContact O-CB 3Å; E952-H956 PolarHBondContact O-CD2 3.06Å; E952-H956 PolarHBondContact O-N 3.39Å; E952-H956 IonicContact OE1-CE1 3.08Å; E952-P1073 WeakPolarHBondContact OE1-CA 3.27Å; E952-Q1074 PolarHBondContact OE1-N 3.35Å; E952-Q1074 VanDerWaalsContact OE1-N 3.1Å; E952-Q1074 PolarHBondContact OE2-N 3.18Å; E952-Q1074 VanDerWaalsContact OE2-N 3.16Å; E952-I1075 HydrophobicContact CB-CD1 4.46Å; E952-I1075 HydrophobicContact CG-CD1 4.45Å |
| 953 | L | 86.2 | Confident | 85.2 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.9 | -43.9 | 179.8 | -172.1 | 54.9 | 0 | 0 | 0 | 113 | A904 K905 Y908 T949 L950 S957 I1075 | A904-L953 HydrophobicContact CB-CD2 3.35Å; A904-L953 HydrophobicContact CB-CG 3.98Å; K905-L953 HydrophobicContact CG-CD1 4.4Å; K905-L953 HydrophobicContact CG-CD2 3.8Å; Y908-L953 HydrophobicContact CD1-CD1 3.87Å; Y908-L953 HydrophobicContact CG-CD1 3.79Å; T949-L953 VanDerWaalsContact O-CB 3.3Å; T949-L953 WeakPolarHBondContact O-CB 3.17Å; T949-L953 PolarHBondContact O-N 2.91Å; L950-L953 PolarHBondContact O-N 3.27Å; L953-S957 WeakPolarHBondContact O-CB 3.31Å; L953-S957 PolarHBondContact O-N 2.99Å; L953-S957 PolarHBondContact O-OG 3.31Å; L953-I1075 VanDerWaalsContact CA-CD1 3.46Å; L953-I1075 HydrophobicContact CB-CD1 3.39Å; L953-I1075 HydrophobicContact CD1-CD1 3.63Å; L953-I1075 HydrophobicContact CD1-CG1 4.4Å; L953-I1075 HydrophobicContact CD1-CG2 4.34Å; L953-I1075 HydrophobicContact CD2-CD1 4.48Å; L953-I1075 HydrophobicContact CG-CD1 3.99Å |
| 954 | V | 91.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.6 | -49.1 | 178.8 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | L932 L935 L936 L950 E952 H956 S957 L958 | L932-V954 HydrophobicContact CB-CG1 3.79Å; L932-V954 HydrophobicContact CD2-CG1 4.32Å; L932-V954 HydrophobicContact CD2-CG2 4.02Å; L932-V954 WeakPolarHBondContact O-CG1 3.43Å; L935-V954 HydrophobicContact CB-CG2 3.94Å; L935-V954 HydrophobicContact CD1-CG2 4.27Å; L936-V954 HydrophobicContact CD1-CB 4.29Å; L936-V954 HydrophobicContact CD1-CG1 3.47Å; L936-V954 VanDerWaalsContact CD1-CG1 3.47Å; L936-V954 HydrophobicContact CD2-CB 3.97Å; L936-V954 HydrophobicContact CD2-CG1 4.06Å; L936-V954 HydrophobicContact CG-CB 3.84Å; L936-V954 HydrophobicContact CG-CG1 3.46Å; L936-V954 VanDerWaalsContact CG-CG1 3.46Å; L936-V954 HydrophobicContact CG-CG2 4.45Å; L950-V954 WeakPolarHBondContact O-CB 3.22Å; L950-V954 VanDerWaalsContact O-CG2 3.23Å; L950-V954 WeakPolarHBondContact O-CG2 3.33Å; L950-V954 PolarHBondContact O-N 3.39Å; E952-V954 VanDerWaalsContact C-N 3.35Å; E952-V954 PolarHBondContact O-N 2.77Å; V954-H956 PolarHBondContact O-N 2.89Å; V954-S957 WeakPolarHBondContact O-CB 3.42Å; V954-S957 PolarHBondContact O-N 3Å; V954-L958 HydrophobicContact CG1-CD1 4.16Å; V954-L958 HydrophobicContact CG1-CG 4.23Å; V954-L958 WeakPolarHBondContact O-CG 3.5Å; V954-L958 PolarHBondContact O-N 3.37Å |
| 955 | M | 90.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.2 | -43.1 | 179.2 | -69.5 | -62.7 | -130 | 0 | 0 | 111 | L936 V951 E952 L958 T959 F979 M982 A994 L998 | L936-M955 HydrophobicContact CD1-SD 4.02Å; L936-M955 HydrophobicContact CD2-CG 4.11Å; L936-M955 HydrophobicContact CD2-SD 4.21Å; V951-M955 VanDerWaalsContact O-CG 3.28Å; V951-M955 WeakPolarHBondContact O-CG 3.3Å; V951-M955 PolarHBondContact O-N 2.92Å; V951-M955 VanDerWaalsContact O-N 3.15Å; E952-M955 PolarHBondContact O-N 3.16Å; M955-L958 PolarHBondContact O-N 3.39Å; M955-T959 PolarHBondContact O-N 3.35Å; M955-T959 PolarHBondContact O-OG1 3.05Å; M955-F979 HydrophobicContact CE-CB 4.36Å; M955-F979 HydrophobicContact CE-CD1 3.91Å; M955-F979 HydrophobicContact SD-CD1 3.85Å; M955-F979 HydrophobicContact SD-CE1 4.24Å; M955-M982 HydrophobicContact CE-CB 4.14Å; M955-M982 HydrophobicContact CE-CE 3.93Å; M955-M982 HydrophobicContact CE-SD 3.73Å; M955-A994 HydrophobicContact CB-CB 3.87Å; M955-A994 HydrophobicContact CG-CB 4.42Å; M955-L998 HydrophobicContact SD-CD2 3.68Å |
| 956 | H | 88.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.1 | -38.6 | 176.6 | -74.6 | -153.7 | 0 | 0 | 0 | 112.5 | Y908 E952 V954 T959 A960 W1077 P1078 | Y908-H956 HydrophobicContact CD2-CB 4.46Å; Y908-H956 VanDerWaalsContact CE2-C 3.47Å; Y908-H956 HydrophobicContact CE2-CB 3.59Å; Y908-H956 WeakPolarHBondContact CE2-O 3.29Å; Y908-H956 WeakPolarHBondContact OH-CB 3.38Å; E952-H956 WeakPolarHBondContact O-CB 3Å; E952-H956 PolarHBondContact O-CD2 3.06Å; E952-H956 PolarHBondContact O-N 3.39Å; E952-H956 IonicContact OE1-CE1 3.08Å; V954-H956 PolarHBondContact O-N 2.89Å; H956-T959 PolarHBondContact O-N 3.5Å; H956-A960 WeakPolarHBondContact O-CB 3.27Å; H956-A960 PolarHBondContact O-N 3.4Å; H956-W1077 AromaticContact CE1-CD1 3.57Å; H956-W1077 AromaticContact CE1-CD2 3.54Å; H956-W1077 AromaticContact CE1-CE2 3.31Å; H956-W1077 AromaticContact CE1-CG 3.63Å; H956-W1077 AromaticContact CE1-CZ2 3.84Å; H956-W1077 AromaticContact CE1-NE1 3.34Å; H956-W1077 PolarHBondContact CE1-NE1 2.8Å; H956-W1077 VanDerWaalsContact CE1-NE1 3.34Å; H956-W1077 AromaticContact NE2-CD2 3.8Å; H956-W1077 AromaticContact NE2-CE2 3.46Å; H956-W1077 AromaticContact NE2-CH2 3.95Å; H956-W1077 AromaticContact NE2-CZ2 3.51Å; H956-W1077 AromaticContact NE2-NE1 3.94Å; H956-P1078 HydrophobicContact CB-CG 4.4Å |
| 957 | S | 90.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 176 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | Y908 L953 V954 T959 A960 F961 | Y908-S957 WeakPolarHBondContact CD2-OG 3.36Å; L953-S957 WeakPolarHBondContact O-CB 3.31Å; L953-S957 PolarHBondContact O-N 2.99Å; L953-S957 PolarHBondContact O-OG 3.31Å; V954-S957 WeakPolarHBondContact O-CB 3.42Å; V954-S957 PolarHBondContact O-N 3Å; S957-T959 VanDerWaalsContact C-N 3.33Å; S957-T959 PolarHBondContact O-N 3Å; S957-A960 PolarHBondContact O-N 3.15Å; S957-F961 VanDerWaalsContact O-CD2 3.27Å; S957-F961 WeakPolarHBondContact O-CD2 3.28Å; S957-F961 PolarHBondContact O-N 2.92Å |
| 958 | L | 93.6 | Very high | 88 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 174.8 | -64.6 | 178.8 | 0 | 0 | 0 | 111.2 | L929 L932 L933 L936 V954 M955 F961 I962 I972 F979 L998 | L929-L958 HydrophobicContact CD2-CD2 3.93Å; L932-L958 HydrophobicContact CB-CD2 4.46Å; L932-L958 HydrophobicContact CD1-CD2 4.15Å; L933-L958 HydrophobicContact CD2-CD1 4.32Å; L936-L958 HydrophobicContact CD1-CD1 4.07Å; V954-L958 HydrophobicContact CG1-CD1 4.16Å; V954-L958 HydrophobicContact CG1-CG 4.23Å; V954-L958 WeakPolarHBondContact O-CG 3.5Å; V954-L958 PolarHBondContact O-N 3.37Å; M955-L958 PolarHBondContact O-N 3.39Å; L958-F961 WeakPolarHBondContact O-CB 3.35Å; L958-F961 PolarHBondContact O-N 3.31Å; L958-I962 WeakPolarHBondContact O-CG1 3.36Å; L958-I962 PolarHBondContact O-N 3.14Å; L958-I972 HydrophobicContact CB-CD1 4.15Å; L958-I972 HydrophobicContact CD2-CD1 3.87Å; L958-I972 HydrophobicContact CD2-CG1 4.14Å; L958-F979 HydrophobicContact CD1-CE1 3.83Å; L958-F979 HydrophobicContact CD1-CZ 3.72Å; L958-L998 HydrophobicContact CB-CD1 3.81Å; L958-L998 HydrophobicContact CB-CD2 4.09Å; L958-L998 HydrophobicContact CD1-CD2 3.97Å |
| 959 | T | 91.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.2 | -42.9 | 174.9 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | M955 H956 S957 F961 I962 I963 L997 L998 Q1001 P1078 | M955-T959 PolarHBondContact O-N 3.35Å; M955-T959 PolarHBondContact O-OG1 3.05Å; H956-T959 PolarHBondContact O-N 3.5Å; S957-T959 VanDerWaalsContact C-N 3.33Å; S957-T959 PolarHBondContact O-N 3Å; T959-F961 VanDerWaalsContact C-N 3.28Å; T959-F961 PolarHBondContact O-N 3.26Å; T959-I962 PolarHBondContact O-N 3.48Å; T959-I962 VanDerWaalsContact O-N 3.1Å; T959-I963 HydrophobicContact CG2-CD1 3.88Å; T959-I963 HydrophobicContact CG2-CG1 4.39Å; T959-I963 WeakPolarHBondContact O-CG1 3.48Å; T959-I963 PolarHBondContact O-N 3.15Å; T959-L997 HydrophobicContact CG2-CD2 3.99Å; T959-L997 HydrophobicContact CG2-CG 3.88Å; T959-L998 WeakPolarHBondContact OG1-CA 3.23Å; T959-L998 WeakPolarHBondContact OG1-CB 3.47Å; T959-Q1001 HydrophobicContact CG2-CB 4.5Å; T959-Q1001 HydrophobicContact CG2-CG 3.75Å; T959-P1078 HydrophobicContact CG2-CG 3.77Å |
| 960 | A | 88.2 | Confident | 89.1 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 2% | 0.017 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.5 | -39.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y908 V911 Q912 H956 S957 I963 Q964 P1078 | Y908-A960 HydrophobicContact CD2-CB 4.38Å; Y908-A960 HydrophobicContact CE2-CB 4.05Å; V911-A960 HydrophobicContact CG1-CB 3.84Å; Q912-A960 HydrophobicContact CG-CB 4.21Å; H956-A960 WeakPolarHBondContact O-CB 3.27Å; H956-A960 PolarHBondContact O-N 3.4Å; S957-A960 PolarHBondContact O-N 3.15Å; A960-I963 PolarHBondContact O-N 3.18Å; A960-Q964 WeakPolarHBondContact O-CB 3.45Å; A960-Q964 WeakPolarHBondContact O-CG 3.45Å; A960-Q964 PolarHBondContact O-N 3.37Å; A960-P1078 HydrophobicContact CB-CB 3.89Å |
| 961 | F | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 172.1 | -89.8 | -70.5 | 0 | 0 | 0 | 112.5 | V911 A918 C921 M922 Y928 L929 L932 S957 L958 T959 I963 Q964 L965 | V911-F961 HydrophobicContact CG1-CD1 4.28Å; V911-F961 HydrophobicContact CG1-CD2 4.29Å; V911-F961 HydrophobicContact CG1-CE1 4.43Å; V911-F961 HydrophobicContact CG1-CE2 4.42Å; V911-F961 HydrophobicContact CG1-CG 4.21Å; V911-F961 HydrophobicContact CG1-CZ 4.49Å; V911-F961 HydrophobicContact CG2-CE1 4.09Å; V911-F961 HydrophobicContact CG2-CE2 3.87Å; V911-F961 HydrophobicContact CG2-CZ 3.61Å; A918-F961 HydrophobicContact CB-CD1 4.07Å; A918-F961 HydrophobicContact CB-CE1 4.08Å; C921-F961 HydrophobicContact CB-CE1 4.14Å; C921-F961 HydrophobicContact CB-CZ 4.15Å; M922-F961 HydrophobicContact CE-CD1 4.14Å; M922-F961 HydrophobicContact CE-CE1 3.6Å; M922-F961 HydrophobicContact CE-CZ 3.92Å; M922-F961 HydrophobicContact CG-CD1 4.3Å; M922-F961 HydrophobicContact CG-CE1 4.28Å; M922-F961 HydrophobicContact SD-CD1 4.26Å; M922-F961 HydrophobicContact SD-CE1 4.27Å; Y928-F961 HydrophobicContact CD1-CE2 4.01Å; Y928-F961 AromaticContact CD1-CZ 3.68Å; Y928-F961 HydrophobicContact CD1-CZ 3.68Å; Y928-F961 AromaticContact CE1-CE2 3.52Å; Y928-F961 HydrophobicContact CE1-CE2 3.52Å; Y928-F961 AromaticContact CE1-CZ 3.46Å; Y928-F961 HydrophobicContact CE1-CZ 3.46Å; Y928-F961 VanDerWaalsContact CE1-CZ 3.46Å; L929-F961 HydrophobicContact CD2-CD2 3.77Å; L929-F961 HydrophobicContact CD2-CE2 3.9Å; L929-F961 HydrophobicContact CD2-CG 4.24Å; L929-F961 HydrophobicContact CD2-CZ 4.46Å; L932-F961 HydrophobicContact CD1-CE2 4.4Å; S957-F961 VanDerWaalsContact O-CD2 3.27Å; S957-F961 WeakPolarHBondContact O-CD2 3.28Å; S957-F961 PolarHBondContact O-N 2.92Å; L958-F961 WeakPolarHBondContact O-CB 3.35Å; L958-F961 PolarHBondContact O-N 3.31Å; T959-F961 VanDerWaalsContact C-N 3.28Å; T959-F961 PolarHBondContact O-N 3.26Å; F961-I963 VanDerWaalsContact C-N 3.35Å; F961-I963 PolarHBondContact O-N 3.02Å; F961-Q964 PolarHBondContact O-N 2.98Å; F961-L965 HydrophobicContact CB-CD1 4.43Å; F961-L965 HydrophobicContact CD1-CD1 4.17Å; F961-L965 VanDerWaalsContact O-CB 3.28Å; F961-L965 WeakPolarHBondContact O-CB 3.39Å; F961-L965 WeakPolarHBondContact O-CD1 3.36Å; F961-L965 WeakPolarHBondContact O-CG 3.48Å; F961-L965 PolarHBondContact O-N 3.41Å |
| 962 | I | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 178.8 | -62.9 | 171.9 | 0 | 0 | 0 | 110.7 | L958 T959 Q964 G966 V968 I972 L998 Q1001 I1002 L1005 | L958-I962 WeakPolarHBondContact O-CG1 3.36Å; L958-I962 PolarHBondContact O-N 3.14Å; T959-I962 PolarHBondContact O-N 3.48Å; T959-I962 VanDerWaalsContact O-N 3.1Å; I962-Q964 PolarHBondContact O-N 2.84Å; I962-G966 PolarHBondContact O-N 3.46Å; I962-V968 HydrophobicContact CG2-CG2 4.36Å; I962-I972 HydrophobicContact CD1-CG2 4.35Å; I962-I972 HydrophobicContact CG1-CD1 4.26Å; I962-L998 HydrophobicContact CD1-CD1 3.63Å; I962-Q1001 HydrophobicContact CD1-CB 4.34Å; I962-Q1001 HydrophobicContact CG2-CB 4.01Å; I962-I1002 HydrophobicContact CD1-CG1 3.69Å; I962-L1005 HydrophobicContact CG2-CD1 3.47Å; I962-L1005 VanDerWaalsContact CG2-CD1 3.47Å |
| 963 | I | 86.1 | Confident | 89.8 | Confident | 50 Ų | 50 | 21.4 Ų | 21.4 | 26% | 0.256 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -61.2 | -45.2 | -179.5 | -67.9 | 168.6 | 0 | 0 | 0 | 111 | T959 A960 F961 P1078 | T959-I963 HydrophobicContact CG2-CD1 3.88Å; T959-I963 HydrophobicContact CG2-CG1 4.39Å; T959-I963 WeakPolarHBondContact O-CG1 3.48Å; T959-I963 PolarHBondContact O-N 3.15Å; A960-I963 PolarHBondContact O-N 3.18Å; F961-I963 VanDerWaalsContact C-N 3.35Å; F961-I963 PolarHBondContact O-N 3.02Å; I963-P1078 HydrophobicContact CD1-CB 4.2Å; I963-P1078 HydrophobicContact CD1-CG 4.46Å |
| 964 | Q | 86.3 | Confident | 90 | Very high | 41 Ų | 41 | 27.6 Ų | 27.6 | 19% | 0.192 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -75.4 | -34.7 | -175.7 | -66.8 | -71.6 | -7.2 | 0 | 0 | 113 | V911 Q912 T915 A918 A960 F961 I962 | V911-Q964 HydrophobicContact CG1-CG 4.44Å; V911-Q964 VanDerWaalsContact O-CG 3.29Å; V911-Q964 WeakPolarHBondContact O-CG 3.42Å; Q912-Q964 PolarHBondContact O-NE2 3.35Å; T915-Q964 WeakPolarHBondContact CG2-O 3.31Å; T915-Q964 PolarHBondContact OG1-OE1 3.11Å; A918-Q964 HydrophobicContact CB-CB 3.9Å; A960-Q964 WeakPolarHBondContact O-CB 3.45Å; A960-Q964 WeakPolarHBondContact O-CG 3.45Å; A960-Q964 PolarHBondContact O-N 3.37Å; F961-Q964 PolarHBondContact O-N 2.98Å; I962-Q964 PolarHBondContact O-N 2.84Å |
| 965 | L | 89.4 | Confident | 90 | Very high | 16 Ų | 16 | 28.8 Ų | 28.8 | 8% | 0.084 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -81.1 | -24 | 178.4 | -63.3 | 169.6 | 0 | 0 | 0 | 112.6 | A918 H919 M922 F961 H967 P969 | A918-L965 HydrophobicContact CB-CD2 4.37Å; H919-L965 HydrophobicContact CB-CD2 4.48Å; M922-L965 HydrophobicContact CG-CD1 3.63Å; M922-L965 HydrophobicContact CG-CD2 4.15Å; M922-L965 HydrophobicContact SD-CD1 4.34Å; F961-L965 HydrophobicContact CB-CD1 4.43Å; F961-L965 HydrophobicContact CD1-CD1 4.17Å; F961-L965 VanDerWaalsContact O-CB 3.28Å; F961-L965 WeakPolarHBondContact O-CB 3.39Å; F961-L965 WeakPolarHBondContact O-CD1 3.36Å; F961-L965 WeakPolarHBondContact O-CG 3.48Å; F961-L965 PolarHBondContact O-N 3.41Å; L965-H967 PolarHBondContact O-CD2 2.86Å; L965-H967 PolarHBondContact O-N 3.17Å; L965-P969 HydrophobicContact CD1-CG 3.69Å |
| 966 | G | 87.1 | Confident | 90 | Very high | 50 Ų | 50 | 31.2 Ų | 31.2 | 52% | 0.515 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 70.2 | 6.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | I962 | I962-G966 PolarHBondContact O-N 3.46Š|
| 967 | H | 90.4 | Very high | 90 | Very high | 103 Ų | 103 | 34 Ų | 34 | 48% | 0.477 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -144.8 | 161.1 | 175.1 | 69.6 | 78.9 | 0 | 0 | 0 | 110.1 | L965 P969 | L965-H967 PolarHBondContact O-CD2 2.86Å; L965-H967 PolarHBondContact O-N 3.17Å; H967-P969 WeakPolarHBondContact O-CD 3.37Å |
| 968 | V | 90.5 | Very high | 90.1 | Very high | 10 Ų | 10 | 36 Ų | 36 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | trans | -87 | 119.5 | 179.2 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | I962 I972 L973 I1002 L1005 Q1006 | I962-V968 HydrophobicContact CG2-CG2 4.36Å; V968-I972 HydrophobicContact CG1-CB 4.37Å; V968-I972 HydrophobicContact CG1-CG2 4.4Å; V968-L973 HydrophobicContact CG1-CB 4.26Å; V968-I1002 HydrophobicContact CG1-CG1 4.23Å; V968-L1005 HydrophobicContact CG2-CB 4.09Å; V968-L1005 HydrophobicContact CG2-CD1 4.09Å; V968-Q1006 HydrophobicContact CG2-CG 4.4Å | ||
| 969 | P | 91.2 | Very high | 90 | Very high | 12 Ų | 12 | 36 Ų | 36 | 8% | 0.078 | 20% | 0.197 | C | C | . | . | trans | -62.3 | 140.2 | 172.1 | -22.6 | 33.4 | 0 | 0 | 0 | 112.5 | M922 L929 L965 H967 I971 I972 L973 | M922-P969 HydrophobicContact SD-CG 4.39Å; L929-P969 HydrophobicContact CD1-CB 3.94Å; L929-P969 HydrophobicContact CD1-CG 4.36Å; L965-P969 HydrophobicContact CD1-CG 3.69Å; H967-P969 WeakPolarHBondContact O-CD 3.37Å; P969-I971 VanDerWaalsContact C-N 3.27Å; P969-I971 PolarHBondContact O-N 3.14Å; P969-I972 HydrophobicContact CB-CD1 4.4Å; P969-I972 HydrophobicContact CB-CG1 4.25Å; P969-I972 HydrophobicContact CG-CD1 4.01Å; P969-I972 HydrophobicContact CG-CG1 4.4Å; P969-I972 WeakPolarHBondContact O-CB 3.48Å; P969-I972 PolarHBondContact O-N 3.08Å; P969-L973 PolarHBondContact O-N 3.44Å; P969-L973 VanDerWaalsContact O-N 3.08Å | ||
| 970 | E | 89.5 | Confident | 90 | Very high | 114 Ų | 114 | 36.3 Ų | 36.3 | 53% | 0.533 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -55.6 | -38.4 | -177.2 | -177.4 | 58.3 | -153.6 | 0 | 0 | 113 | I972 L973 Q974 | E970-I972 VanDerWaalsContact C-N 3.31Å; E970-I972 PolarHBondContact O-N 3.25Å; E970-L973 WeakPolarHBondContact O-CB 3.06Å; E970-L973 PolarHBondContact O-N 3.07Å; E970-L973 VanDerWaalsContact O-N 3.17Å; E970-Q974 VanDerWaalsContact O-CG 3.32Å; E970-Q974 WeakPolarHBondContact O-CG 3.47Å; E970-Q974 PolarHBondContact O-N 3.08Å; E970-Q974 PolarHBondContact OE1-NE2 2.92Å; E970-Q974 VanDerWaalsContact OE1-NE2 3.14Å |
| 971 | I | 90.7 | Very high | 90 | Very high | 35 Ų | 35 | 41.9 Ų | 41.9 | 18% | 0.179 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 177.5 | -61.7 | 172.4 | 0 | 0 | 0 | 111.4 | P926 L929 L933 P969 N975 | P926-I971 HydrophobicContact CB-CD1 4.2Å; L929-I971 HydrophobicContact CB-CD1 4.34Å; L929-I971 HydrophobicContact CB-CG2 4.05Å; L929-I971 HydrophobicContact CD1-CB 4.23Å; L929-I971 HydrophobicContact CD1-CD1 4.38Å; L933-I971 HydrophobicContact CD1-CG2 3.64Å; P969-I971 VanDerWaalsContact C-N 3.27Å; P969-I971 PolarHBondContact O-N 3.14Å; I971-N975 PolarHBondContact O-ND2 3.38Å |
| 972 | I | 91.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.8 | -43.2 | 176.8 | -58.7 | -173.2 | 0 | 0 | 0 | 109.4 | L929 L958 I962 V968 P969 E970 Q974 N975 K976 F979 L998 I1002 | L929-I972 HydrophobicContact CD1-CD1 4.48Å; L929-I972 HydrophobicContact CD1-CG1 4.21Å; L958-I972 HydrophobicContact CB-CD1 4.15Å; L958-I972 HydrophobicContact CD2-CD1 3.87Å; L958-I972 HydrophobicContact CD2-CG1 4.14Å; I962-I972 HydrophobicContact CD1-CG2 4.35Å; I962-I972 HydrophobicContact CG1-CD1 4.26Å; V968-I972 HydrophobicContact CG1-CB 4.37Å; V968-I972 HydrophobicContact CG1-CG2 4.4Å; P969-I972 HydrophobicContact CB-CD1 4.4Å; P969-I972 HydrophobicContact CB-CG1 4.25Å; P969-I972 HydrophobicContact CG-CD1 4.01Å; P969-I972 HydrophobicContact CG-CG1 4.4Å; P969-I972 WeakPolarHBondContact O-CB 3.48Å; P969-I972 PolarHBondContact O-N 3.08Å; E970-I972 VanDerWaalsContact C-N 3.31Å; E970-I972 PolarHBondContact O-N 3.25Å; I972-Q974 PolarHBondContact O-N 2.86Å; I972-N975 PolarHBondContact O-N 3.4Å; I972-N975 VanDerWaalsContact O-N 3.11Å; I972-K976 PolarHBondContact O-N 3.34Å; I972-F979 HydrophobicContact CG2-CE2 3.78Å; I972-F979 HydrophobicContact CG2-CZ 4.36Å; I972-F979 WeakPolarHBondContact O-CE2 3.32Å; I972-L998 HydrophobicContact CG2-CD1 4.44Å; I972-I1002 HydrophobicContact CG2-CD1 3.92Å; I972-I1002 HydrophobicContact CG2-CG1 4.39Å |
| 973 | L | 89.3 | Confident | 89.9 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.8 | -41.6 | -180 | -173.5 | 63 | 0 | 0 | 0 | 112.6 | V968 P969 E970 N975 K976 I1002 Q1006 Y1008 | V968-L973 HydrophobicContact CG1-CB 4.26Å; P969-L973 PolarHBondContact O-N 3.44Å; P969-L973 VanDerWaalsContact O-N 3.08Å; E970-L973 WeakPolarHBondContact O-CB 3.06Å; E970-L973 PolarHBondContact O-N 3.07Å; E970-L973 VanDerWaalsContact O-N 3.17Å; L973-N975 PolarHBondContact O-N 3.18Å; L973-K976 HydrophobicContact CD1-CD 4.04Å; L973-K976 WeakPolarHBondContact O-CB 3.3Å; L973-K976 VanDerWaalsContact O-CG 3.27Å; L973-K976 WeakPolarHBondContact O-CG 3.46Å; L973-K976 PolarHBondContact O-N 3.02Å; L973-I1002 HydrophobicContact CD1-CG2 4.4Å; L973-Q1006 VanDerWaalsContact CD1-OE1 3.32Å; L973-Y1008 HydrophobicContact CD1-CD2 4.09Å; L973-Y1008 HydrophobicContact CD1-CE2 3.82Å; L973-Y1008 HydrophobicContact CD2-CE2 4.13Å |
| 974 | Q | 90.1 | Very high | 90 | Very high | 130 Ų | 130 | 43.7 Ų | 43.7 | 61% | 0.607 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -61.6 | -26.7 | 176.9 | -72.8 | 173.6 | 6 | 0 | 0 | 113.1 | E970 I972 | E970-Q974 VanDerWaalsContact O-CG 3.32Å; E970-Q974 WeakPolarHBondContact O-CG 3.47Å; E970-Q974 PolarHBondContact O-N 3.08Å; E970-Q974 PolarHBondContact OE1-NE2 2.92Å; E970-Q974 VanDerWaalsContact OE1-NE2 3.14Å; I972-Q974 PolarHBondContact O-N 2.86Å |
| 975 | N | 92 | Very high | 90.1 | Very high | 26 Ų | 26 | 47.4 Ų | 47.4 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 8.8 | -178.3 | -69.6 | -89.4 | 0 | 0 | 0 | 113.5 | L933 R937 I971 I972 L973 A977 Q978 F979 | L933-N975 HydrophobicContact CD1-CB 4.43Å; L933-N975 WeakPolarHBondContact CD1-ND2 3.23Å; L933-N975 HydrophobicContact CD2-CB 4.1Å; R937-N975 PolarHBondContact NH2-OD1 2.78Å; I971-N975 PolarHBondContact O-ND2 3.38Å; I972-N975 PolarHBondContact O-N 3.4Å; I972-N975 VanDerWaalsContact O-N 3.11Å; L973-N975 PolarHBondContact O-N 3.18Å; N975-A977 PolarHBondContact O-N 3.45Å; N975-A977 VanDerWaalsContact O-N 3.09Å; N975-Q978 VanDerWaalsContact O-CB 3.29Å; N975-Q978 WeakPolarHBondContact O-CB 3.43Å; N975-Q978 PolarHBondContact O-N 3.47Å; N975-F979 HydrophobicContact CB-CE2 4.15Å; N975-F979 HydrophobicContact CB-CZ 3.94Å; N975-F979 PolarHBondContact O-N 2.77Å |
| 976 | K | 90.2 | Very high | 89.8 | Confident | 50 Ų | 50 | 47.9 Ų | 47.9 | 22% | 0.217 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.6 | -35.2 | -177.9 | 69.1 | -174.5 | 170.5 | -173.4 | 0 | 114.8 | I972 L973 Q978 F979 C980 | I972-K976 PolarHBondContact O-N 3.34Å; L973-K976 HydrophobicContact CD1-CD 4.04Å; L973-K976 WeakPolarHBondContact O-CB 3.3Å; L973-K976 VanDerWaalsContact O-CG 3.27Å; L973-K976 WeakPolarHBondContact O-CG 3.46Å; L973-K976 PolarHBondContact O-N 3.02Å; K976-Q978 VanDerWaalsContact C-N 3.31Å; K976-Q978 PolarHBondContact O-N 3.19Å; K976-F979 PolarHBondContact O-N 3.02Å; K976-C980 PolarHBondContact O-N 3.06Å; K976-C980 PolarHBondContact O-SG 3.02Å |
| 977 | A | 89.1 | Confident | 89.5 | Confident | 59 Ų | 59 | 54 Ų | 54 | 49% | 0.488 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.7 | -34.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N975 K981 | N975-A977 PolarHBondContact O-N 3.45Å; N975-A977 VanDerWaalsContact O-N 3.09Å; A977-K981 WeakPolarHBondContact O-CB 3.49Å; A977-K981 PolarHBondContact O-N 3.1Å |
| 978 | Q | 91.3 | Very high | 88.9 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 20% | 0.201 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 175.5 | -176.3 | -179.8 | -7.3 | 0 | 0 | 110.7 | N975 K976 K981 M982 | N975-Q978 VanDerWaalsContact O-CB 3.29Å; N975-Q978 WeakPolarHBondContact O-CB 3.43Å; N975-Q978 PolarHBondContact O-N 3.47Å; K976-Q978 VanDerWaalsContact C-N 3.31Å; K976-Q978 PolarHBondContact O-N 3.19Å; Q978-K981 WeakPolarHBondContact O-CB 3.45Å; Q978-K981 PolarHBondContact O-N 3.23Å; Q978-M982 WeakPolarHBondContact O-CG 3.26Å; Q978-M982 PolarHBondContact O-N 2.94Å |
| 979 | F | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 178.6 | -48.1 | -43.8 | 0 | 0 | 0 | 111.5 | L933 L936 M955 L958 I972 N975 K976 K981 M982 L983 S995 L998 L999 I1002 | L933-F979 HydrophobicContact CD2-CE1 3.94Å; L933-F979 HydrophobicContact CD2-CZ 3.77Å; L936-F979 HydrophobicContact CD1-CE1 3.99Å; M955-F979 HydrophobicContact CE-CB 4.36Å; M955-F979 HydrophobicContact CE-CD1 3.91Å; M955-F979 HydrophobicContact SD-CD1 3.85Å; M955-F979 HydrophobicContact SD-CE1 4.24Å; L958-F979 HydrophobicContact CD1-CE1 3.83Å; L958-F979 HydrophobicContact CD1-CZ 3.72Å; I972-F979 HydrophobicContact CG2-CE2 3.78Å; I972-F979 HydrophobicContact CG2-CZ 4.36Å; I972-F979 WeakPolarHBondContact O-CE2 3.32Å; N975-F979 HydrophobicContact CB-CE2 4.15Å; N975-F979 HydrophobicContact CB-CZ 3.94Å; N975-F979 PolarHBondContact O-N 2.77Å; K976-F979 PolarHBondContact O-N 3.02Å; F979-K981 VanDerWaalsContact C-N 3.31Å; F979-K981 PolarHBondContact O-N 3.19Å; F979-M982 PolarHBondContact O-N 3.36Å; F979-M982 VanDerWaalsContact O-N 3.13Å; F979-L983 PolarHBondContact O-N 2.77Å; F979-S995 PolarHBondContact O-OG 3.32Å; F979-L998 HydrophobicContact CB-CD2 4.39Å; F979-L998 HydrophobicContact CD1-CD2 3.82Å; F979-L998 HydrophobicContact CD2-CD2 3.71Å; F979-L998 HydrophobicContact CD2-CG 4.36Å; F979-L998 HydrophobicContact CE1-CD2 3.96Å; F979-L998 HydrophobicContact CE2-CD2 3.88Å; F979-L998 HydrophobicContact CG-CD2 3.71Å; F979-L998 HydrophobicContact CZ-CD2 3.99Å; F979-L999 HydrophobicContact CB-CD2 3.91Å; F979-L999 HydrophobicContact CB-CG 4.2Å; F979-I1002 HydrophobicContact CD2-CD1 4.06Å; F979-I1002 HydrophobicContact CE2-CD1 4.36Å |
| 980 | C | 90.5 | Very high | 87.9 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.034 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.4 | -43.4 | 172.4 | -72.1 | 0 | 0 | 0 | 0 | 112.2 | K976 M982 L983 V984 L999 P1011 | K976-C980 PolarHBondContact O-N 3.06Å; K976-C980 PolarHBondContact O-SG 3.02Å; C980-M982 VanDerWaalsContact C-N 3.35Å; C980-M982 PolarHBondContact O-N 3.2Å; C980-L983 WeakPolarHBondContact O-CB 3.41Å; C980-L983 PolarHBondContact O-N 3.29Å; C980-V984 PolarHBondContact O-N 3.37Å; C980-L999 WeakPolarHBondContact SG-CD2 3.27Å; C980-P1011 HydrophobicContact CB-CG 4.23Å |
| 981 | K | 89.8 | Confident | 87.8 | Confident | 119 Ų | 119 | 46.1 Ų | 46.1 | 52% | 0.517 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 175.2 | -172.6 | 178.3 | 177.1 | 178 | 0 | 111.5 | A977 Q978 F979 L983 V984 E985 | A977-K981 WeakPolarHBondContact O-CB 3.49Å; A977-K981 PolarHBondContact O-N 3.1Å; Q978-K981 WeakPolarHBondContact O-CB 3.45Å; Q978-K981 PolarHBondContact O-N 3.23Å; F979-K981 VanDerWaalsContact C-N 3.31Å; F979-K981 PolarHBondContact O-N 3.19Å; K981-L983 VanDerWaalsContact C-N 3.34Å; K981-L983 PolarHBondContact O-N 3.05Å; K981-V984 PolarHBondContact O-N 2.9Å; K981-E985 WeakPolarHBondContact CE-OE1 3.3Å; K981-E985 WeakPolarHBondContact CE-OE2 3.34Å; K981-E985 HydrophobicContact CG-CG 4.08Å; K981-E985 WeakPolarHBondContact CG-OE1 3.42Å; K981-E985 WeakPolarHBondContact CG-OE2 3.25Å; K981-E985 IonicContact NZ-OE2 3Å; K981-E985 VanDerWaalsContact O-CB 3.29Å; K981-E985 WeakPolarHBondContact O-CB 3.46Å; K981-E985 WeakPolarHBondContact O-CG 3.48Å; K981-E985 PolarHBondContact O-N 3.36Å |
| 982 | M | 89.4 | Confident | 87.6 | Confident | 37 Ų | 37 | 44.6 Ų | 44.6 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -33.5 | 176.9 | -69.6 | -178.9 | 71.1 | 0 | 0 | 113.3 | L936 V951 M955 Q978 F979 C980 S986 | L936-M982 HydrophobicContact CD2-CE 4Å; L936-M982 HydrophobicContact CD2-SD 4.38Å; V951-M982 HydrophobicContact CG1-CE 3.6Å; M955-M982 HydrophobicContact CE-CB 4.14Å; M955-M982 HydrophobicContact CE-CE 3.93Å; M955-M982 HydrophobicContact CE-SD 3.73Å; Q978-M982 WeakPolarHBondContact O-CG 3.26Å; Q978-M982 PolarHBondContact O-N 2.94Å; F979-M982 PolarHBondContact O-N 3.36Å; F979-M982 VanDerWaalsContact O-N 3.13Å; C980-M982 VanDerWaalsContact C-N 3.35Å; C980-M982 PolarHBondContact O-N 3.2Å; M982-S986 WeakPolarHBondContact O-CB 3.33Å; M982-S986 PolarHBondContact O-N 3.05Å |
| 983 | L | 90.4 | Very high | 87.4 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 173.9 | 174.4 | 63.7 | 0 | 0 | 0 | 111.3 | F979 C980 K981 A992 A996 L999 I1017 A1020 I1024 L1090 | F979-L983 PolarHBondContact O-N 2.77Å; C980-L983 WeakPolarHBondContact O-CB 3.41Å; C980-L983 PolarHBondContact O-N 3.29Å; K981-L983 VanDerWaalsContact C-N 3.34Å; K981-L983 PolarHBondContact O-N 3.05Å; L983-A992 HydrophobicContact CD1-CB 4.3Å; L983-A992 WeakPolarHBondContact CD1-O 3.4Å; L983-A996 HydrophobicContact CD1-CB 3.93Å; L983-L999 HydrophobicContact CB-CD1 4Å; L983-L999 HydrophobicContact CD2-CD1 3.72Å; L983-L999 HydrophobicContact CG-CD1 4.48Å; L983-I1017 HydrophobicContact CD2-CG2 4.03Å; L983-A1020 HydrophobicContact CD1-CB 4.38Å; L983-A1020 HydrophobicContact CG-CB 4.3Å; L983-A1020 WeakPolarHBondContact O-CB 3.21Å; L983-I1024 HydrophobicContact CD1-CD1 4.44Å; L983-L1090 HydrophobicContact CD2-CD2 3.6Å |
| 984 | V | 89.4 | Confident | 87.4 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 29% | 0.285 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -81.9 | -38.1 | -173.6 | 173.4 | 0 | 0 | 0 | 0 | 112.7 | C980 K981 A1012 D1016 | C980-V984 PolarHBondContact O-N 3.37Å; K981-V984 PolarHBondContact O-N 2.9Å; V984-A1012 HydrophobicContact CG2-CB 4.46Å; V984-D1016 HydrophobicContact CG1-CB 3.77Å; V984-D1016 HydrophobicContact CG2-CB 4.05Å |
| 985 | E | 87.3 | Confident | 87.5 | Confident | 119 Ų | 119 | 37.7 Ų | 37.7 | 56% | 0.556 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -95.7 | -13.2 | -172 | -62.6 | -177.4 | -176.7 | 0 | 0 | 114.1 | K981 H987 | K981-E985 WeakPolarHBondContact CE-OE1 3.3Å; K981-E985 WeakPolarHBondContact CE-OE2 3.34Å; K981-E985 HydrophobicContact CG-CG 4.08Å; K981-E985 WeakPolarHBondContact CG-OE1 3.42Å; K981-E985 WeakPolarHBondContact CG-OE2 3.25Å; K981-E985 IonicContact NZ-OE2 3Å; K981-E985 VanDerWaalsContact O-CB 3.29Å; K981-E985 WeakPolarHBondContact O-CB 3.46Å; K981-E985 WeakPolarHBondContact O-CG 3.48Å; K981-E985 PolarHBondContact O-N 3.36Å; E985-H987 PolarHBondContact O-N 2.87Å |
| 986 | S | 83.8 | Confident | 87.5 | Confident | 26 Ų | 26 | 36.5 Ų | 36.5 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | trans | -72.5 | 125 | -179.8 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | M982 V988 H991 | M982-S986 WeakPolarHBondContact O-CB 3.33Å; M982-S986 PolarHBondContact O-N 3.05Å; S986-V988 VanDerWaalsContact C-N 3.27Å; S986-V988 PolarHBondContact OG-N 3.44Å; S986-V988 VanDerWaalsContact OG-N 3.08Å; S986-V988 PolarHBondContact OG-O 3.41Å; S986-H991 WeakPolarHBondContact OG-CB 3.44Å | ||
| 987 | H | 79.9 | Confident | 87.5 | Confident | 178 Ų | 178 | 34.1 Ų | 34.1 | 82% | 0.824 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -81.7 | -4.2 | 169.7 | -62 | -58.6 | 0 | 0 | 0 | 113.5 | E985 | E985-H987 PolarHBondContact O-N 2.87Š|
| 988 | V | 79.5 | Confident | 87.7 | Confident | 31 Ų | 31 | 31.3 Ų | 31.3 | 19% | 0.188 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -99.4 | 113.9 | -180 | -174 | 0 | 0 | 0 | 0 | 109 | S986 S990 H991 A992 | S986-V988 VanDerWaalsContact C-N 3.27Å; S986-V988 PolarHBondContact OG-N 3.44Å; S986-V988 VanDerWaalsContact OG-N 3.08Å; S986-V988 PolarHBondContact OG-O 3.41Å; V988-S990 VanDerWaalsContact C-N 3.33Å; V988-S990 WeakPolarHBondContact CG1-OG 3.4Å; V988-S990 PolarHBondContact O-N 3.17Å; V988-H991 HydrophobicContact CB-CB 4.27Å; V988-H991 PolarHBondContact O-N 2.99Å; V988-H991 VanDerWaalsContact O-N 3.13Å; V988-A992 PolarHBondContact O-N 3.34Å |
| 989 | P | 80.8 | Confident | 87.7 | Confident | 22 Ų | 22 | 29.3 Ų | 29.3 | 14% | 0.143 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.4 | -38.6 | -176.3 | -28.8 | 36.1 | 0 | 0 | 0 | 114.5 | H991 A992 A993 W1083 | P989-H991 PolarHBondContact O-N 3.47Å; P989-A992 PolarHBondContact O-N 3.5Å; P989-A993 WeakPolarHBondContact O-CB 3.2Å; P989-A993 PolarHBondContact O-N 2.85Å; P989-W1083 HydrophobicContact CB-CH2 4.08Å; P989-W1083 HydrophobicContact CB-CZ2 4.18Å |
| 990 | S | 78.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.8 | -39.3 | 177 | 49.5 | 0 | 0 | 0 | 0 | 113.2 | V988 A993 A994 G1071 | V988-S990 VanDerWaalsContact C-N 3.33Å; V988-S990 WeakPolarHBondContact CG1-OG 3.4Å; V988-S990 PolarHBondContact O-N 3.17Å; S990-A993 PolarHBondContact O-N 2.79Å; S990-A994 VanDerWaalsContact O-CB 3.27Å; S990-A994 WeakPolarHBondContact O-CB 3.44Å; S990-A994 PolarHBondContact O-N 2.81Å; S990-G1071 WeakPolarHBondContact CB-O 3.13Å; S990-G1071 PolarHBondContact OG-O 2.94Å |
| 991 | H | 86.9 | Confident | 87.7 | Confident | 20 Ų | 20 | 30 Ų | 30 | 9% | 0.093 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.4 | -40.9 | 177.3 | -65.4 | 174 | 0 | 0 | 0 | 111.5 | V948 V951 S986 V988 P989 S995 | V948-H991 PolarHBondContact O-NE2 3.26Å; V951-H991 HydrophobicContact CG1-CB 4.33Å; S986-H991 WeakPolarHBondContact OG-CB 3.44Å; V988-H991 HydrophobicContact CB-CB 4.27Å; V988-H991 PolarHBondContact O-N 2.99Å; V988-H991 VanDerWaalsContact O-N 3.13Å; P989-H991 PolarHBondContact O-N 3.47Å; H991-S995 WeakPolarHBondContact O-CB 3.22Å; H991-S995 PolarHBondContact O-N 3.24Å |
| 992 | A | 88.1 | Confident | 87.7 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 3% | 0.033 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.7 | -42.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L983 V988 P989 S995 A996 I1024 | L983-A992 HydrophobicContact CD1-CB 4.3Å; L983-A992 WeakPolarHBondContact CD1-O 3.4Å; V988-A992 PolarHBondContact O-N 3.34Å; P989-A992 PolarHBondContact O-N 3.5Å; A992-S995 PolarHBondContact O-N 2.9Å; A992-A996 WeakPolarHBondContact O-CB 3.46Å; A992-A996 PolarHBondContact O-N 2.88Å; A992-I1024 HydrophobicContact CB-CD1 3.65Å; A992-I1024 HydrophobicContact CB-CG1 3.85Å |
| 993 | A | 87.6 | Confident | 87.7 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | P989 S990 S995 A996 L997 I1024 W1077 W1083 | P989-A993 WeakPolarHBondContact O-CB 3.2Å; P989-A993 PolarHBondContact O-N 2.85Å; S990-A993 PolarHBondContact O-N 2.79Å; A993-S995 VanDerWaalsContact C-N 3.3Å; A993-S995 PolarHBondContact O-N 3.49Å; A993-A996 WeakPolarHBondContact O-CB 3.27Å; A993-A996 PolarHBondContact O-N 3.15Å; A993-A996 VanDerWaalsContact O-N 3.14Å; A993-L997 PolarHBondContact O-N 3.41Å; A993-I1024 HydrophobicContact CB-CG2 4.39Å; A993-W1077 VanDerWaalsContact C-CH2 3.44Å; A993-W1077 HydrophobicContact CB-CH2 3.69Å; A993-W1077 HydrophobicContact CB-CZ2 4.29Å; A993-W1083 HydrophobicContact CB-CZ2 4.43Å |
| 994 | A | 88.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -39 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M955 S990 L997 L998 W1077 | M955-A994 HydrophobicContact CB-CB 3.87Å; M955-A994 HydrophobicContact CG-CB 4.42Å; S990-A994 VanDerWaalsContact O-CB 3.27Å; S990-A994 WeakPolarHBondContact O-CB 3.44Å; S990-A994 PolarHBondContact O-N 2.81Å; A994-L997 PolarHBondContact O-N 2.84Å; A994-L998 PolarHBondContact O-N 3.44Å; A994-L998 VanDerWaalsContact O-N 3.12Å; A994-W1077 HydrophobicContact CB-CH2 4.35Å |
| 995 | S | 92.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65 | -42.4 | 172.5 | -165.2 | 0 | 0 | 0 | 0 | 112.2 | F979 H991 A992 A993 L997 L998 L999 | F979-S995 PolarHBondContact O-OG 3.32Å; H991-S995 WeakPolarHBondContact O-CB 3.22Å; H991-S995 PolarHBondContact O-N 3.24Å; A992-S995 PolarHBondContact O-N 2.9Å; A993-S995 VanDerWaalsContact C-N 3.3Å; A993-S995 PolarHBondContact O-N 3.49Å; S995-L997 VanDerWaalsContact C-N 3.29Å; S995-L997 PolarHBondContact O-N 2.92Å; S995-L998 PolarHBondContact O-N 2.94Å; S995-L999 WeakPolarHBondContact O-CB 3.18Å; S995-L999 WeakPolarHBondContact O-CD1 3.37Å; S995-L999 VanDerWaalsContact O-CG 3.23Å; S995-L999 WeakPolarHBondContact O-CG 3.36Å; S995-L999 PolarHBondContact O-N 3.25Å |
| 996 | A | 91.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.6 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L983 A992 A993 S1000 L1087 L1090 | L983-A996 HydrophobicContact CD1-CB 3.93Å; A992-A996 WeakPolarHBondContact O-CB 3.46Å; A992-A996 PolarHBondContact O-N 2.88Å; A993-A996 WeakPolarHBondContact O-CB 3.27Å; A993-A996 PolarHBondContact O-N 3.15Å; A993-A996 VanDerWaalsContact O-N 3.14Å; A996-S1000 WeakPolarHBondContact O-CB 3.31Å; A996-S1000 PolarHBondContact O-N 3.3Å; A996-L1087 HydrophobicContact CB-CD1 4.05Å; A996-L1090 HydrophobicContact CB-CD2 4.26Å |
| 997 | L | 90.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -50.2 | 175 | -178.1 | 67.7 | 0 | 0 | 0 | 112.6 | T959 A993 A994 S995 L999 S1000 Q1001 W1077 P1078 H1081 | T959-L997 HydrophobicContact CG2-CD2 3.99Å; T959-L997 HydrophobicContact CG2-CG 3.88Å; A993-L997 PolarHBondContact O-N 3.41Å; A994-L997 PolarHBondContact O-N 2.84Å; S995-L997 VanDerWaalsContact C-N 3.29Å; S995-L997 PolarHBondContact O-N 2.92Å; L997-L999 VanDerWaalsContact C-N 3.32Å; L997-L999 PolarHBondContact O-N 3.27Å; L997-S1000 PolarHBondContact O-N 2.85Å; L997-S1000 PolarHBondContact O-OG 3.18Å; L997-Q1001 WeakPolarHBondContact O-CG 3.26Å; L997-Q1001 PolarHBondContact O-N 3.49Å; L997-Q1001 VanDerWaalsContact O-N 3.14Å; L997-W1077 HydrophobicContact CB-CE3 4.33Å; L997-W1077 HydrophobicContact CB-CZ3 3.75Å; L997-W1077 HydrophobicContact CD2-CD2 4.36Å; L997-W1077 HydrophobicContact CD2-CE3 3.3Å; L997-W1077 HydrophobicContact CD2-CZ3 3.61Å; L997-W1077 HydrophobicContact CG-CE3 4.3Å; L997-W1077 HydrophobicContact CG-CZ3 4.22Å; L997-P1078 HydrophobicContact CD2-CG 3.81Å; L997-H1081 HydrophobicContact CD1-CB 3.99Å; L997-H1081 HydrophobicContact CD2-CB 4.26Å |
| 998 | L | 92.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.8 | -47.4 | 177.2 | 177.5 | 59.3 | 0 | 0 | 0 | 111.5 | M955 L958 T959 I962 I972 F979 A994 S995 S1000 Q1001 I1002 | M955-L998 HydrophobicContact SD-CD2 3.68Å; L958-L998 HydrophobicContact CB-CD1 3.81Å; L958-L998 HydrophobicContact CB-CD2 4.09Å; L958-L998 HydrophobicContact CD1-CD2 3.97Å; T959-L998 WeakPolarHBondContact OG1-CA 3.23Å; T959-L998 WeakPolarHBondContact OG1-CB 3.47Å; I962-L998 HydrophobicContact CD1-CD1 3.63Å; I972-L998 HydrophobicContact CG2-CD1 4.44Å; F979-L998 HydrophobicContact CB-CD2 4.39Å; F979-L998 HydrophobicContact CD1-CD2 3.82Å; F979-L998 HydrophobicContact CD2-CD2 3.71Å; F979-L998 HydrophobicContact CD2-CG 4.36Å; F979-L998 HydrophobicContact CE1-CD2 3.96Å; F979-L998 HydrophobicContact CE2-CD2 3.88Å; F979-L998 HydrophobicContact CG-CD2 3.71Å; F979-L998 HydrophobicContact CZ-CD2 3.99Å; A994-L998 PolarHBondContact O-N 3.44Å; A994-L998 VanDerWaalsContact O-N 3.12Å; S995-L998 PolarHBondContact O-N 2.94Å; L998-S1000 PolarHBondContact O-N 3.32Å; L998-Q1001 PolarHBondContact O-N 3.25Å; L998-I1002 HydrophobicContact CD1-CD1 4.19Å; L998-I1002 HydrophobicContact CG-CD1 4.02Å; L998-I1002 WeakPolarHBondContact O-CG1 3.26Å; L998-I1002 PolarHBondContact O-N 3.47Å; L998-I1002 VanDerWaalsContact O-N 3.09Å |
| 999 | L | 92.5 | Very high | 85.1 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.4 | -41.5 | 178.5 | -69.7 | 166.1 | 0 | 0 | 0 | 111.7 | F979 C980 L983 S995 L997 Q1001 I1002 Y1003 L1090 | F979-L999 HydrophobicContact CB-CD2 3.91Å; F979-L999 HydrophobicContact CB-CG 4.2Å; C980-L999 WeakPolarHBondContact SG-CD2 3.27Å; L983-L999 HydrophobicContact CB-CD1 4Å; L983-L999 HydrophobicContact CD2-CD1 3.72Å; L983-L999 HydrophobicContact CG-CD1 4.48Å; S995-L999 WeakPolarHBondContact O-CB 3.18Å; S995-L999 WeakPolarHBondContact O-CD1 3.37Å; S995-L999 VanDerWaalsContact O-CG 3.23Å; S995-L999 WeakPolarHBondContact O-CG 3.36Å; S995-L999 PolarHBondContact O-N 3.25Å; L997-L999 VanDerWaalsContact C-N 3.32Å; L997-L999 PolarHBondContact O-N 3.27Å; L999-Q1001 VanDerWaalsContact C-N 3.28Å; L999-Q1001 PolarHBondContact O-N 3.34Å; L999-I1002 PolarHBondContact O-N 2.82Å; L999-Y1003 HydrophobicContact CB-CD2 4.4Å; L999-Y1003 HydrophobicContact CB-CE2 4.37Å; L999-Y1003 HydrophobicContact CD2-CE2 3.86Å; L999-Y1003 WeakPolarHBondContact O-CD2 3.43Å; L999-Y1003 PolarHBondContact O-N 3.07Å; L999-L1090 HydrophobicContact CB-CD1 4.11Å; L999-L1090 HydrophobicContact CB-CD2 4.15Å; L999-L1090 HydrophobicContact CD1-CD2 4.41Å |
| 1000 | S | 91 | Very high | 85 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.8 | -44 | 177.4 | 75.8 | 0 | 0 | 0 | 0 | 111.5 | A996 L997 L998 Y1003 E1004 | A996-S1000 WeakPolarHBondContact O-CB 3.31Å; A996-S1000 PolarHBondContact O-N 3.3Å; L997-S1000 PolarHBondContact O-N 2.85Å; L997-S1000 PolarHBondContact O-OG 3.18Å; L998-S1000 PolarHBondContact O-N 3.32Å; S1000-Y1003 PolarHBondContact O-N 3.37Å; S1000-E1004 WeakPolarHBondContact O-CB 3.3Å; S1000-E1004 PolarHBondContact O-N 2.96Å |
| 1001 | Q | 90.3 | Very high | 84.9 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 9% | 0.089 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.5 | -34.9 | 179.1 | -64 | -56.7 | -74.8 | 0 | 0 | 112.7 | T959 I962 L997 L998 L999 E1004 | T959-Q1001 HydrophobicContact CG2-CB 4.5Å; T959-Q1001 HydrophobicContact CG2-CG 3.75Å; I962-Q1001 HydrophobicContact CD1-CB 4.34Å; I962-Q1001 HydrophobicContact CG2-CB 4.01Å; L997-Q1001 WeakPolarHBondContact O-CG 3.26Å; L997-Q1001 PolarHBondContact O-N 3.49Å; L997-Q1001 VanDerWaalsContact O-N 3.14Å; L998-Q1001 PolarHBondContact O-N 3.25Å; L999-Q1001 VanDerWaalsContact C-N 3.28Å; L999-Q1001 PolarHBondContact O-N 3.34Å; Q1001-E1004 PolarHBondContact NE2-OE2 2.91Å; Q1001-E1004 VanDerWaalsContact NE2-OE2 3.09Å |
| 1002 | I | 91.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.1 | -49.2 | 175.6 | -67.9 | 166.9 | 0 | 0 | 0 | 110.9 | I962 V968 I972 L973 F979 L998 L999 Q1006 | I962-I1002 HydrophobicContact CD1-CG1 3.69Å; V968-I1002 HydrophobicContact CG1-CG1 4.23Å; I972-I1002 HydrophobicContact CG2-CD1 3.92Å; I972-I1002 HydrophobicContact CG2-CG1 4.39Å; L973-I1002 HydrophobicContact CD1-CG2 4.4Å; F979-I1002 HydrophobicContact CD2-CD1 4.06Å; F979-I1002 HydrophobicContact CE2-CD1 4.36Å; L998-I1002 HydrophobicContact CD1-CD1 4.19Å; L998-I1002 HydrophobicContact CG-CD1 4.02Å; L998-I1002 WeakPolarHBondContact O-CG1 3.26Å; L998-I1002 PolarHBondContact O-N 3.47Å; L998-I1002 VanDerWaalsContact O-N 3.09Å; L999-I1002 PolarHBondContact O-N 2.82Å; I1002-Q1006 PolarHBondContact O-N 3.05Å |
| 1003 | Y | 89.5 | Confident | 84.3 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -82.7 | -17.5 | -174.7 | -67.4 | -73.6 | 0 | 0 | 0 | 114 | L999 S1000 Y1008 I1010 P1011 L1090 | L999-Y1003 HydrophobicContact CB-CD2 4.4Å; L999-Y1003 HydrophobicContact CB-CE2 4.37Å; L999-Y1003 HydrophobicContact CD2-CE2 3.86Å; L999-Y1003 WeakPolarHBondContact O-CD2 3.43Å; L999-Y1003 PolarHBondContact O-N 3.07Å; S1000-Y1003 PolarHBondContact O-N 3.37Å; Y1003-Y1008 VanDerWaalsContact CD1-O 3.3Å; Y1003-Y1008 WeakPolarHBondContact CD1-O 3.42Å; Y1003-Y1008 WeakPolarHBondContact CE1-O 3.44Å; Y1003-I1010 HydrophobicContact CD1-CG1 4.01Å; Y1003-I1010 HydrophobicContact CD2-CD1 4.39Å; Y1003-I1010 HydrophobicContact CD2-CG1 3.91Å; Y1003-I1010 HydrophobicContact CE1-CG1 3.76Å; Y1003-I1010 HydrophobicContact CE2-CG1 3.71Å; Y1003-I1010 HydrophobicContact CE2-CG2 4.46Å; Y1003-I1010 HydrophobicContact CG-CG1 4.1Å; Y1003-P1011 WeakPolarHBondContact OH-CD 3.35Å; Y1003-L1090 HydrophobicContact CD2-CD1 4.3Å |
| 1004 | E | 84.4 | Confident | 84 | Confident | 118 Ų | 118 | 48.3 Ų | 48.3 | 55% | 0.551 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -68.4 | -37.5 | 170.6 | -175.2 | 173.1 | -173.7 | 0 | 0 | 111.4 | S1000 Q1001 I1093 | S1000-E1004 WeakPolarHBondContact O-CB 3.3Å; S1000-E1004 PolarHBondContact O-N 2.96Å; Q1001-E1004 PolarHBondContact NE2-OE2 2.91Å; Q1001-E1004 VanDerWaalsContact NE2-OE2 3.09Å; E1004-I1093 HydrophobicContact CB-CD1 4.28Å |
| 1005 | L | 83.8 | Confident | 83.8 | Confident | 82 Ų | 82 | 51.4 Ų | 51.4 | 43% | 0.429 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -89.1 | -19.6 | -178.5 | -66.6 | 172.8 | 0 | 0 | 0 | 114.1 | I962 V968 | I962-L1005 HydrophobicContact CG2-CD1 3.47Å; I962-L1005 VanDerWaalsContact CG2-CD1 3.47Å; V968-L1005 HydrophobicContact CG2-CB 4.09Å; V968-L1005 HydrophobicContact CG2-CD1 4.09Å |
| 1006 | Q | 74.3 | Confident | 83.6 | Confident | 56 Ų | 56 | 54.1 Ų | 54.1 | 26% | 0.262 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -139.9 | 124.4 | -176.3 | -63.9 | -173.9 | -33.1 | 0 | 0 | 112.4 | V968 L973 I1002 Y1008 | V968-Q1006 HydrophobicContact CG2-CG 4.4Å; L973-Q1006 VanDerWaalsContact CD1-OE1 3.32Å; I1002-Q1006 PolarHBondContact O-N 3.05Å; Q1006-Y1008 VanDerWaalsContact C-N 3.32Å; Q1006-Y1008 HydrophobicContact CB-CD2 3.64Å; Q1006-Y1008 HydrophobicContact CB-CE2 3.56Å; Q1006-Y1008 HydrophobicContact CG-CE2 4.23Å; Q1006-Y1008 PolarHBondContact O-N 3.2Å; Q1006-Y1008 VanDerWaalsContact OE1-CE2 3.3Å |
| 1007 | E | 68.4 | Low | 83.4 | Confident | 199 Ų | 199 | 54.3 Ų | 54.3 | 93% | 0.93 | 28% | 0.277 | S | S | * | . | trans | -73.7 | 76.3 | 179.8 | -67.9 | -174 | 167.8 | 0 | 0 | 112.5 | ||||
| 1008 | Y | 70.4 | Confident | 83.2 | Confident | 98 Ų | 98 | 54.3 Ų | 54.3 | 38% | 0.384 | 28% | 0.277 | S | S | . | . | trans | -112.7 | 151.1 | 171.8 | -66.9 | -63.6 | 0 | 0 | 0 | 112.1 | L973 Y1003 Q1006 Q1097 | L973-Y1008 HydrophobicContact CD1-CD2 4.09Å; L973-Y1008 HydrophobicContact CD1-CE2 3.82Å; L973-Y1008 HydrophobicContact CD2-CE2 4.13Å; Y1003-Y1008 VanDerWaalsContact CD1-O 3.3Å; Y1003-Y1008 WeakPolarHBondContact CD1-O 3.42Å; Y1003-Y1008 WeakPolarHBondContact CE1-O 3.44Å; Q1006-Y1008 VanDerWaalsContact C-N 3.32Å; Q1006-Y1008 HydrophobicContact CB-CD2 3.64Å; Q1006-Y1008 HydrophobicContact CB-CE2 3.56Å; Q1006-Y1008 HydrophobicContact CG-CE2 4.23Å; Q1006-Y1008 PolarHBondContact O-N 3.2Å; Q1006-Y1008 VanDerWaalsContact OE1-CE2 3.3Å; Y1008-Q1097 PolarHBondContact O-NE2 3.4Å; Y1008-Q1097 PolarHBondContact O-OE1 3.25Å | ||
| 1009 | T | 74 | Confident | 83 | Confident | 121 Ų | 121 | 58.8 Ų | 58.8 | 74% | 0.742 | 30% | 0.298 | S | S | * | . | trans | -72.4 | 135.8 | 167.9 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1010 | I | 79 | Confident | 82.7 | Confident | 24 Ų | 24 | 59 Ų | 59 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | trans | -72.8 | 126.4 | 179.2 | -61.1 | 163.4 | 0 | 0 | 0 | 109.4 | Y1003 A1012 I1017 L1090 I1094 | Y1003-I1010 HydrophobicContact CD1-CG1 4.01Å; Y1003-I1010 HydrophobicContact CD2-CD1 4.39Å; Y1003-I1010 HydrophobicContact CD2-CG1 3.91Å; Y1003-I1010 HydrophobicContact CE1-CG1 3.76Å; Y1003-I1010 HydrophobicContact CE2-CG1 3.71Å; Y1003-I1010 HydrophobicContact CE2-CG2 4.46Å; Y1003-I1010 HydrophobicContact CG-CG1 4.1Å; I1010-A1012 HydrophobicContact CG2-CB 4.33Å; I1010-A1012 PolarHBondContact O-N 3.48Å; I1010-I1017 HydrophobicContact CB-CD1 4.48Å; I1010-I1017 HydrophobicContact CG2-CD1 3.65Å; I1010-L1090 HydrophobicContact CD1-CD1 4.12Å; I1010-I1094 HydrophobicContact CD1-CB 4.4Å; I1010-I1094 HydrophobicContact CD1-CD1 4.37Å; I1010-I1094 HydrophobicContact CD1-CG1 3.37Å | ||
| 1011 | P | 76.4 | Confident | 82.6 | Confident | 74 Ų | 74 | 59.1 Ų | 59.1 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -79.6 | 35.6 | -175.1 | 35.1 | -38.3 | 0 | 0 | 0 | 113.1 | C980 Y1003 | C980-P1011 HydrophobicContact CB-CG 4.23Å; Y1003-P1011 WeakPolarHBondContact OH-CD 3.35Å |
| 1012 | A | 79.2 | Confident | 82.4 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 21% | 0.207 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -137 | 150.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V984 I1010 I1017 | V984-A1012 HydrophobicContact CG2-CB 4.46Å; I1010-A1012 HydrophobicContact CG2-CB 4.33Å; I1010-A1012 PolarHBondContact O-N 3.48Å; A1012-I1017 HydrophobicContact CB-CD1 4.1Å; A1012-I1017 HydrophobicContact CB-CG1 3.97Å |
| 1013 | K | 82.2 | Confident | 82.1 | Confident | 146 Ų | 146 | 63.4 Ų | 63.4 | 64% | 0.635 | 32% | 0.324 | S | S | * | . | trans | -67.7 | 137.2 | 177.9 | -61.6 | 175.8 | -179.4 | 172.2 | 0 | 108.8 | N1015 D1016 I1017 | K1013-N1015 PolarHBondContact O-N 3.33Å; K1013-N1015 VanDerWaalsContact O-N 3.12Å; K1013-D1016 WeakPolarHBondContact CB-OD2 3.48Å; K1013-D1016 WeakPolarHBondContact O-CB 3.34Å; K1013-D1016 PolarHBondContact O-N 2.96Å; K1013-I1017 PolarHBondContact O-N 2.99Å | ||
| 1014 | P | 81.2 | Confident | 82 | Confident | 41 Ų | 41 | 63 Ų | 63 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -51.2 | -38.4 | 177.6 | -30.7 | 36.1 | 0 | 0 | 0 | 113.8 | D1016 I1017 V1018 A1098 I1102 | P1014-D1016 PolarHBondContact O-N 3.39Å; P1014-I1017 PolarHBondContact O-N 2.95Å; P1014-V1018 VanDerWaalsContact O-CG2 3.32Å; P1014-V1018 WeakPolarHBondContact O-CG2 3.42Å; P1014-V1018 PolarHBondContact O-N 3.02Å; P1014-A1098 HydrophobicContact CB-CB 4.45Å; P1014-A1098 HydrophobicContact CG-CB 3.99Å; P1014-I1102 HydrophobicContact CB-CB 4.32Å; P1014-I1102 HydrophobicContact CB-CD1 4.16Å; P1014-I1102 HydrophobicContact CB-CG1 4.12Å |
| 1015 | N | 84.8 | Confident | 82.1 | Confident | 66 Ų | 66 | 57.4 Ų | 57.4 | 35% | 0.353 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 175.9 | -107.7 | 36.5 | 0 | 0 | 0 | 112.9 | K1013 I1017 V1018 Q1019 S1105 | K1013-N1015 PolarHBondContact O-N 3.33Å; K1013-N1015 VanDerWaalsContact O-N 3.12Å; N1015-I1017 VanDerWaalsContact C-N 3.32Å; N1015-I1017 PolarHBondContact O-N 3.47Å; N1015-V1018 PolarHBondContact O-N 3.14Å; N1015-Q1019 WeakPolarHBondContact O-CB 3.42Å; N1015-Q1019 PolarHBondContact O-N 3.19Å; N1015-S1105 WeakPolarHBondContact OD1-CB 3.34Å; N1015-S1105 PolarHBondContact OD1-OG 3.27Å |
| 1016 | D | 87.6 | Confident | 82.1 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.8 | -37.6 | -175.5 | -58.1 | -18.2 | 0 | 0 | 0 | 110.4 | V984 K1013 P1014 Q1019 A1020 | V984-D1016 HydrophobicContact CG1-CB 3.77Å; V984-D1016 HydrophobicContact CG2-CB 4.05Å; K1013-D1016 WeakPolarHBondContact CB-OD2 3.48Å; K1013-D1016 WeakPolarHBondContact O-CB 3.34Å; K1013-D1016 PolarHBondContact O-N 2.96Å; P1014-D1016 PolarHBondContact O-N 3.39Å; D1016-Q1019 PolarHBondContact O-N 3.13Å; D1016-A1020 PolarHBondContact O-N 2.6Å |
| 1017 | I | 86.5 | Confident | 82.4 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.3 | -46.3 | 175.7 | -54.1 | 167.8 | 0 | 0 | 0 | 110.7 | L983 I1010 A1012 K1013 P1014 N1015 Q1019 A1020 M1021 L1090 I1094 | L983-I1017 HydrophobicContact CD2-CG2 4.03Å; I1010-I1017 HydrophobicContact CB-CD1 4.48Å; I1010-I1017 HydrophobicContact CG2-CD1 3.65Å; A1012-I1017 HydrophobicContact CB-CD1 4.1Å; A1012-I1017 HydrophobicContact CB-CG1 3.97Å; K1013-I1017 PolarHBondContact O-N 2.99Å; P1014-I1017 PolarHBondContact O-N 2.95Å; N1015-I1017 VanDerWaalsContact C-N 3.32Å; N1015-I1017 PolarHBondContact O-N 3.47Å; I1017-Q1019 VanDerWaalsContact C-N 3.26Å; I1017-Q1019 PolarHBondContact O-N 3.23Å; I1017-A1020 WeakPolarHBondContact O-CB 3.48Å; I1017-A1020 PolarHBondContact O-N 3.35Å; I1017-A1020 VanDerWaalsContact O-N 3.15Å; I1017-M1021 HydrophobicContact CG2-CG 4.37Å; I1017-M1021 HydrophobicContact CG2-SD 4.32Å; I1017-M1021 VanDerWaalsContact O-CG 3.28Å; I1017-M1021 WeakPolarHBondContact O-CG 3.29Å; I1017-M1021 PolarHBondContact O-N 3.42Å; I1017-L1090 HydrophobicContact CG2-CD2 4.46Å; I1017-I1094 HydrophobicContact CB-CD1 4.07Å; I1017-I1094 HydrophobicContact CD1-CD1 3.8Å; I1017-I1094 HydrophobicContact CD1-CG1 4.26Å; I1017-I1094 HydrophobicContact CG2-CD1 3.39Å |
| 1018 | V | 87.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -36 | 178 | 176.2 | 0 | 0 | 0 | 0 | 111 | P1014 N1015 M1021 S1022 I1102 F1106 F1109 I1111 | P1014-V1018 VanDerWaalsContact O-CG2 3.32Å; P1014-V1018 WeakPolarHBondContact O-CG2 3.42Å; P1014-V1018 PolarHBondContact O-N 3.02Å; N1015-V1018 PolarHBondContact O-N 3.14Å; V1018-M1021 PolarHBondContact O-N 3.01Å; V1018-S1022 VanDerWaalsContact O-CB 3.27Å; V1018-S1022 WeakPolarHBondContact O-CB 3.15Å; V1018-S1022 PolarHBondContact O-N 2.92Å; V1018-I1102 HydrophobicContact CG2-CD1 4.11Å; V1018-I1102 HydrophobicContact CG2-CG1 3.94Å; V1018-F1106 HydrophobicContact CG1-CD1 4.26Å; V1018-F1106 HydrophobicContact CG2-CD1 4.39Å; V1018-F1106 HydrophobicContact CG2-CE1 4.13Å; V1018-F1106 HydrophobicContact CG2-CZ 4.2Å; V1018-F1109 HydrophobicContact CB-CD2 4.4Å; V1018-F1109 HydrophobicContact CG1-CB 4.03Å; V1018-F1109 HydrophobicContact CG1-CD2 3.69Å; V1018-F1109 HydrophobicContact CG1-CG 4.17Å; V1018-I1111 HydrophobicContact CG1-CD1 4.3Å; V1018-I1111 HydrophobicContact CG1-CG1 3.92Å |
| 1019 | Q | 87.4 | Confident | 82.7 | Confident | 95 Ų | 95 | 43.3 Ų | 43.3 | 44% | 0.444 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -45.5 | 173.2 | -176.5 | 176.7 | -5.6 | 0 | 0 | 111.8 | N1015 D1016 I1017 S1022 L1023 F1109 | N1015-Q1019 WeakPolarHBondContact O-CB 3.42Å; N1015-Q1019 PolarHBondContact O-N 3.19Å; D1016-Q1019 PolarHBondContact O-N 3.13Å; I1017-Q1019 VanDerWaalsContact C-N 3.26Å; I1017-Q1019 PolarHBondContact O-N 3.23Å; Q1019-S1022 VanDerWaalsContact O-CB 3.25Å; Q1019-S1022 WeakPolarHBondContact O-CB 3.42Å; Q1019-S1022 PolarHBondContact O-N 3.04Å; Q1019-L1023 WeakPolarHBondContact O-CG 3.48Å; Q1019-L1023 PolarHBondContact O-N 2.78Å; Q1019-F1109 HydrophobicContact CB-CE1 4.07Å; Q1019-F1109 HydrophobicContact CB-CE2 4.28Å; Q1019-F1109 HydrophobicContact CB-CZ 3.81Å; Q1019-F1109 HydrophobicContact CG-CE1 3.97Å; Q1019-F1109 HydrophobicContact CG-CZ 4.06Å |
| 1020 | A | 87.2 | Confident | 82.9 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 5% | 0.05 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L983 D1016 I1017 S1022 L1023 I1024 | L983-A1020 HydrophobicContact CD1-CB 4.38Å; L983-A1020 HydrophobicContact CG-CB 4.3Å; L983-A1020 WeakPolarHBondContact O-CB 3.21Å; D1016-A1020 PolarHBondContact O-N 2.6Å; I1017-A1020 WeakPolarHBondContact O-CB 3.48Å; I1017-A1020 PolarHBondContact O-N 3.35Å; I1017-A1020 VanDerWaalsContact O-N 3.15Å; A1020-S1022 VanDerWaalsContact C-N 3.29Å; A1020-S1022 PolarHBondContact O-N 3.38Å; A1020-L1023 WeakPolarHBondContact O-CB 3.34Å; A1020-L1023 PolarHBondContact O-N 3.4Å; A1020-L1023 VanDerWaalsContact O-N 3.16Å; A1020-I1024 WeakPolarHBondContact O-CG1 3.15Å; A1020-I1024 PolarHBondContact O-N 2.94Å; A1020-I1024 VanDerWaalsContact O-N 3.07Å |
| 1021 | M | 88.7 | Confident | 82.7 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 173.7 | -64.6 | 170.3 | 56.1 | 0 | 0 | 112.1 | I1017 V1018 L1023 I1024 L1025 L1087 A1091 F1106 | I1017-M1021 HydrophobicContact CG2-CG 4.37Å; I1017-M1021 HydrophobicContact CG2-SD 4.32Å; I1017-M1021 VanDerWaalsContact O-CG 3.28Å; I1017-M1021 WeakPolarHBondContact O-CG 3.29Å; I1017-M1021 PolarHBondContact O-N 3.42Å; V1018-M1021 PolarHBondContact O-N 3.01Å; M1021-L1023 VanDerWaalsContact C-N 3.3Å; M1021-L1023 PolarHBondContact O-N 3.15Å; M1021-I1024 PolarHBondContact O-N 3.05Å; M1021-L1025 WeakPolarHBondContact O-CB 3.43Å; M1021-L1025 WeakPolarHBondContact O-CG 3.4Å; M1021-L1025 PolarHBondContact O-N 3.3Å; M1021-L1087 HydrophobicContact CB-CD1 4.01Å; M1021-L1087 HydrophobicContact CB-CG 4.42Å; M1021-L1087 HydrophobicContact CG-CD1 3.57Å; M1021-L1087 HydrophobicContact CG-CG 4.15Å; M1021-A1091 HydrophobicContact CE-CB 3.3Å; M1021-A1091 HydrophobicContact SD-CB 3.89Å; M1021-F1106 HydrophobicContact CE-CE1 4.06Å |
| 1022 | S | 87 | Confident | 82.4 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 7% | 0.07 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.1 | -43.2 | 175.5 | 143 | 0 | 0 | 0 | 0 | 111.6 | V1018 Q1019 A1020 V1026 R1114 | V1018-S1022 VanDerWaalsContact O-CB 3.27Å; V1018-S1022 WeakPolarHBondContact O-CB 3.15Å; V1018-S1022 PolarHBondContact O-N 2.92Å; Q1019-S1022 VanDerWaalsContact O-CB 3.25Å; Q1019-S1022 WeakPolarHBondContact O-CB 3.42Å; Q1019-S1022 PolarHBondContact O-N 3.04Å; A1020-S1022 VanDerWaalsContact C-N 3.29Å; A1020-S1022 PolarHBondContact O-N 3.38Å; S1022-V1026 WeakPolarHBondContact O-CG2 3.43Å; S1022-V1026 PolarHBondContact O-N 2.89Å; S1022-V1026 VanDerWaalsContact O-N 3.14Å; S1022-R1114 PolarHBondContact O-NH1 3.15Å; S1022-R1114 PolarHBondContact OG-NH1 3.43Å |
| 1023 | L | 84.4 | Confident | 81.9 | Confident | 99 Ų | 99 | 36.7 Ų | 36.7 | 52% | 0.518 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.7 | -43.2 | 177.5 | -69.8 | 169.7 | 0 | 0 | 0 | 112.5 | Q1019 A1020 M1021 V1026 S1027 | Q1019-L1023 WeakPolarHBondContact O-CG 3.48Å; Q1019-L1023 PolarHBondContact O-N 2.78Å; A1020-L1023 WeakPolarHBondContact O-CB 3.34Å; A1020-L1023 PolarHBondContact O-N 3.4Å; A1020-L1023 VanDerWaalsContact O-N 3.16Å; M1021-L1023 VanDerWaalsContact C-N 3.3Å; M1021-L1023 PolarHBondContact O-N 3.15Å; L1023-V1026 PolarHBondContact O-N 2.87Å; L1023-S1027 PolarHBondContact O-N 2.91Å |
| 1024 | I | 86.9 | Confident | 81.1 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -48.5 | 177.5 | -63.5 | 162.6 | 0 | 0 | 0 | 110.4 | L983 A992 A993 A1020 M1021 V1026 S1027 W1083 L1084 L1087 | L983-I1024 HydrophobicContact CD1-CD1 4.44Å; A992-I1024 HydrophobicContact CB-CD1 3.65Å; A992-I1024 HydrophobicContact CB-CG1 3.85Å; A993-I1024 HydrophobicContact CB-CG2 4.39Å; A1020-I1024 WeakPolarHBondContact O-CG1 3.15Å; A1020-I1024 PolarHBondContact O-N 2.94Å; A1020-I1024 VanDerWaalsContact O-N 3.07Å; M1021-I1024 PolarHBondContact O-N 3.05Å; I1024-V1026 PolarHBondContact O-N 3.34Å; I1024-S1027 VanDerWaalsContact O-CB 3.25Å; I1024-S1027 WeakPolarHBondContact O-CB 3.43Å; I1024-S1027 PolarHBondContact O-N 3.37Å; I1024-S1027 VanDerWaalsContact O-N 3.11Å; I1024-S1027 PolarHBondContact O-OG 2.8Å; I1024-W1083 HydrophobicContact CG2-CH2 4.28Å; I1024-W1083 HydrophobicContact CG2-CZ3 4.25Å; I1024-L1084 HydrophobicContact CG2-CD2 3.62Å; I1024-L1087 HydrophobicContact CB-CD2 4.13Å; I1024-L1087 HydrophobicContact CD1-CD1 3.53Å; I1024-L1087 HydrophobicContact CD1-CD2 4.5Å; I1024-L1087 HydrophobicContact CG2-CD2 3.93Å |
| 1025 | L | 87 | Confident | 80.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -25.8 | -178.6 | -72.1 | 173.8 | 0 | 0 | 0 | 112.8 | M1021 A1030 Q1031 L1087 F1088 I1111 R1114 C1118 | M1021-L1025 WeakPolarHBondContact O-CB 3.43Å; M1021-L1025 WeakPolarHBondContact O-CG 3.4Å; M1021-L1025 PolarHBondContact O-N 3.3Å; L1025-A1030 WeakPolarHBondContact O-CB 3.45Å; L1025-Q1031 WeakPolarHBondContact O-CG 3.17Å; L1025-Q1031 PolarHBondContact O-NE2 3.13Å; L1025-L1087 HydrophobicContact CD1-CD2 4.48Å; L1025-L1087 HydrophobicContact CD2-CD2 3.95Å; L1025-L1087 HydrophobicContact CG-CD2 3.85Å; L1025-F1088 HydrophobicContact CD2-CE1 4.32Å; L1025-F1088 HydrophobicContact CD2-CZ 3.85Å; L1025-I1111 HydrophobicContact CD1-CD1 4.34Å; L1025-I1111 HydrophobicContact CD1-CG2 4.47Å; L1025-R1114 HydrophobicContact CB-CB 4.22Å; L1025-R1114 HydrophobicContact CD1-CB 4.05Å; L1025-C1118 HydrophobicContact CD2-CB 4.34Å |
| 1026 | V | 84.2 | Confident | 79.6 | Confident | 82 Ų | 82 | 29.8 Ų | 29.8 | 50% | 0.497 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -89.7 | -4.5 | 178.1 | 174 | 0 | 0 | 0 | 0 | 112.6 | S1022 L1023 I1024 | S1022-V1026 WeakPolarHBondContact O-CG2 3.43Å; S1022-V1026 PolarHBondContact O-N 2.89Å; S1022-V1026 VanDerWaalsContact O-N 3.14Å; L1023-V1026 PolarHBondContact O-N 2.87Å; I1024-V1026 PolarHBondContact O-N 3.34Å |
| 1027 | S | 81 | Confident | 78.4 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -58.4 | 145.6 | 177.7 | 69.7 | 0 | 0 | 0 | 0 | 111.5 | L1023 I1024 I1029 A1030 Q1031 | L1023-S1027 PolarHBondContact O-N 2.91Å; I1024-S1027 VanDerWaalsContact O-CB 3.25Å; I1024-S1027 WeakPolarHBondContact O-CB 3.43Å; I1024-S1027 PolarHBondContact O-N 3.37Å; I1024-S1027 VanDerWaalsContact O-N 3.11Å; I1024-S1027 PolarHBondContact O-OG 2.8Å; S1027-I1029 PolarHBondContact O-N 3.45Å; S1027-A1030 PolarHBondContact O-N 3.43Å; S1027-A1030 PolarHBondContact OG-N 3.18Å; S1027-Q1031 PolarHBondContact O-N 2.88Å |
| 1028 | P | 72.6 | Confident | 77.1 | Confident | 51 Ų | 51 | 36.6 Ų | 36.6 | 33% | 0.331 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.1 | -26 | 176.6 | -28.3 | 37.1 | 0 | 0 | 0 | 113.6 | S1032 A1035 F1070 | P1028-S1032 PolarHBondContact O-N 2.95Å; P1028-S1032 VanDerWaalsContact O-N 3.12Å; P1028-A1035 HydrophobicContact CB-CB 4.29Å; P1028-F1070 HydrophobicContact CB-CD1 4.37Å; P1028-F1070 HydrophobicContact CG-CD1 3.78Å; P1028-F1070 HydrophobicContact CG-CE1 3.89Å |
| 1029 | I | 72 | Confident | 75.8 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.9 | -46.1 | 176.8 | -62.7 | 170.6 | 0 | 0 | 0 | 111.1 | S1027 R1036 L1039 F1070 G1071 L1072 W1083 M1143 | S1027-I1029 PolarHBondContact O-N 3.45Å; I1029-R1036 PolarHBondContact O-NE 3.13Å; I1029-L1039 HydrophobicContact CG1-CD1 4.45Å; I1029-F1070 WeakPolarHBondContact CD1-O 3.18Å; I1029-G1071 VanDerWaalsContact CD1-O 3.25Å; I1029-G1071 WeakPolarHBondContact CD1-O 3.44Å; I1029-L1072 HydrophobicContact CD1-CB 4.45Å; I1029-L1072 HydrophobicContact CD1-CD2 3.61Å; I1029-L1072 HydrophobicContact CD1-CG 4.08Å; I1029-L1072 HydrophobicContact CG1-CD2 3.71Å; I1029-W1083 HydrophobicContact CB-CH2 3.93Å; I1029-W1083 HydrophobicContact CB-CZ3 4.12Å; I1029-W1083 HydrophobicContact CD1-CH2 4.26Å; I1029-W1083 HydrophobicContact CD1-CZ2 4.24Å; I1029-W1083 HydrophobicContact CG2-CE3 4.09Å; I1029-W1083 HydrophobicContact CG2-CH2 3.8Å; I1029-W1083 HydrophobicContact CG2-CZ2 4.24Å; I1029-W1083 HydrophobicContact CG2-CZ3 3.72Å; I1029-M1143 HydrophobicContact CG2-CE 3.5Å; I1029-M1143 VanDerWaalsContact CG2-CE 3.5Å |
| 1030 | A | 77.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -74.5 | -36.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1025 S1027 W1083 | L1025-A1030 WeakPolarHBondContact O-CB 3.45Å; S1027-A1030 PolarHBondContact O-N 3.43Å; S1027-A1030 PolarHBondContact OG-N 3.18Å; A1030-W1083 HydrophobicContact CB-CZ3 4.23Å |
| 1031 | Q | 75.2 | Confident | 72.8 | Confident | 46 Ų | 46 | 34.6 Ų | 34.6 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -94.8 | -10.2 | -168.3 | -69.3 | -63.7 | -41 | 0 | 0 | 115.5 | L1025 S1027 Q1121 | L1025-Q1031 WeakPolarHBondContact O-CG 3.17Å; L1025-Q1031 PolarHBondContact O-NE2 3.13Å; S1027-Q1031 PolarHBondContact O-N 2.88Å; Q1031-Q1121 VanDerWaalsContact O-CD 3.25Å; Q1031-Q1121 WeakPolarHBondContact O-CG 3.27Å; Q1031-Q1121 PolarHBondContact O-OE1 3.38Å |
| 1032 | S | 69.9 | Low | 70.8 | Confident | 37 Ų | 37 | 36 Ų | 36 | 26% | 0.259 | 20% | 0.201 | S | C | . | . | trans | -146 | 113 | 179.5 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | P1028 T1034 A1035 R1036 | P1028-S1032 PolarHBondContact O-N 2.95Å; P1028-S1032 VanDerWaalsContact O-N 3.12Å; S1032-T1034 PolarHBondContact O-N 2.51Å; S1032-T1034 PolarHBondContact OG-N 2.85Å; S1032-A1035 PolarHBondContact O-N 3.18Å; S1032-A1035 PolarHBondContact OG-N 2.92Å; S1032-R1036 VanDerWaalsContact O-CB 3.23Å; S1032-R1036 WeakPolarHBondContact O-CB 3.27Å; S1032-R1036 PolarHBondContact O-N 3.17Å | ||
| 1033 | Q | 68.8 | Low | 69.1 | Low | 22 Ų | 22 | 36.6 Ų | 36.6 | 10% | 0.103 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.5 | -35.7 | 170.7 | -174.5 | -178 | -13.1 | 0 | 0 | 111.8 | S1037 Q1121 D1124 | Q1033-S1037 VanDerWaalsContact O-CB 3.3Å; Q1033-S1037 WeakPolarHBondContact O-CB 3.47Å; Q1033-S1037 PolarHBondContact O-N 3.15Å; Q1033-S1037 PolarHBondContact O-OG 3.1Å; Q1033-Q1121 VanDerWaalsContact N-OE1 3.14Å; Q1033-D1124 PolarHBondContact NE2-OD2 3.42Å; Q1033-D1124 PolarHBondContact OE1-OD1 3.15Å; Q1033-D1124 PolarHBondContact OE1-OD2 2.91Å |
| 1034 | T | 64.9 | Low | 67.2 | Low | 75 Ų | 75 | 33.7 Ų | 33.7 | 46% | 0.46 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.2 | -44.8 | 177 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | S1032 S1037 R1038 | S1032-T1034 PolarHBondContact O-N 2.51Å; S1032-T1034 PolarHBondContact OG-N 2.85Å; T1034-S1037 PolarHBondContact O-N 2.97Å; T1034-R1038 VanDerWaalsContact CG2-CZ 3.41Å; T1034-R1038 WeakPolarHBondContact O-CB 3.23Å; T1034-R1038 VanDerWaalsContact O-CG 3.28Å; T1034-R1038 WeakPolarHBondContact O-CG 3.36Å; T1034-R1038 PolarHBondContact O-N 2.88Å |
| 1035 | A | 64.5 | Low | 65 | Low | 25 Ų | 25 | 39.8 Ų | 39.8 | 21% | 0.207 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -45.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1028 S1032 S1037 R1038 L1039 | P1028-A1035 HydrophobicContact CB-CB 4.29Å; S1032-A1035 PolarHBondContact O-N 3.18Å; S1032-A1035 PolarHBondContact OG-N 2.92Å; A1035-S1037 PolarHBondContact O-N 3.18Å; A1035-R1038 PolarHBondContact O-N 3.47Å; A1035-L1039 WeakPolarHBondContact O-CB 3.39Å; A1035-L1039 WeakPolarHBondContact O-CG 3.5Å; A1035-L1039 PolarHBondContact O-N 3.46Å |
| 1036 | R | 70.6 | Confident | 62.6 | Low | 8 Ų | 8 | 42 Ų | 42 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -51.4 | -57.1 | 172.2 | 171.1 | 166.2 | 19.9 | 117.5 | 3.8 | 110.6 | I1029 S1032 R1038 L1039 L1040 Q1121 D1140 | I1029-R1036 PolarHBondContact O-NE 3.13Å; S1032-R1036 VanDerWaalsContact O-CB 3.23Å; S1032-R1036 WeakPolarHBondContact O-CB 3.27Å; S1032-R1036 PolarHBondContact O-N 3.17Å; R1036-R1038 VanDerWaalsContact C-N 3.35Å; R1036-R1038 PolarHBondContact O-N 3.13Å; R1036-L1039 PolarHBondContact O-N 3.14Å; R1036-L1039 VanDerWaalsContact O-N 3.15Å; R1036-L1040 HydrophobicContact CB-CD1 4.43Å; R1036-L1040 HydrophobicContact CG-CD1 3.35Å; R1036-L1040 HydrophobicContact CG-CG 4.44Å; R1036-L1040 WeakPolarHBondContact O-CB 3.42Å; R1036-L1040 VanDerWaalsContact O-CD1 3.22Å; R1036-L1040 WeakPolarHBondContact O-CD1 3.44Å; R1036-L1040 WeakPolarHBondContact O-CG 3.36Å; R1036-L1040 PolarHBondContact O-N 3.32Å; R1036-Q1121 PolarHBondContact NH2-O 2.99Å; R1036-D1140 IonicContact CZ-OD2 3.09Å; R1036-D1140 IonicContact NH1-OD2 2.71Å; R1036-D1140 PolarHBondContact NH1-OD2 3.35Å |
| 1037 | S | 62.1 | Low | 60.5 | Low | 22 Ų | 22 | 42.2 Ų | 42.2 | 15% | 0.154 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.7 | -42.4 | -179.2 | -55.1 | 0 | 0 | 0 | 0 | 113 | H846 Q1033 T1034 A1035 A1041 | H846-S1037 PolarHBondContact CD2-OG 2.93Å; H846-S1037 PolarHBondContact NE2-OG 3.08Å; Q1033-S1037 VanDerWaalsContact O-CB 3.3Å; Q1033-S1037 WeakPolarHBondContact O-CB 3.47Å; Q1033-S1037 PolarHBondContact O-N 3.15Å; Q1033-S1037 PolarHBondContact O-OG 3.1Å; T1034-S1037 PolarHBondContact O-N 2.97Å; A1035-S1037 PolarHBondContact O-N 3.18Å; S1037-A1041 VanDerWaalsContact O-CB 3.26Å; S1037-A1041 WeakPolarHBondContact O-CB 3.2Å; S1037-A1041 PolarHBondContact O-N 3.27Å |
| 1038 | R | 58.9 | Low | 58.3 | Low | 180 Ų | 180 | 46.1 Ų | 46.1 | 68% | 0.679 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -65.2 | -43.7 | 175.5 | -74.4 | 175.5 | -178.2 | 153.3 | 2 | 112.4 | T1034 A1035 R1036 A1041 A1042 | T1034-R1038 VanDerWaalsContact CG2-CZ 3.41Å; T1034-R1038 WeakPolarHBondContact O-CB 3.23Å; T1034-R1038 VanDerWaalsContact O-CG 3.28Å; T1034-R1038 WeakPolarHBondContact O-CG 3.36Å; T1034-R1038 PolarHBondContact O-N 2.88Å; A1035-R1038 PolarHBondContact O-N 3.47Å; R1036-R1038 VanDerWaalsContact C-N 3.35Å; R1036-R1038 PolarHBondContact O-N 3.13Å; R1038-A1041 PolarHBondContact O-N 2.68Å; R1038-A1042 WeakPolarHBondContact O-CB 3.33Å; R1038-A1042 PolarHBondContact O-N 3.39Å |
| 1039 | L | 60.6 | Low | 56.3 | Low | 18 Ų | 18 | 44.2 Ų | 44.2 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.8 | -39.2 | 179.9 | -75.2 | 173.1 | 0 | 0 | 0 | 111.7 | I1029 A1035 R1036 A1042 L1043 L1066 F1070 L1072 | I1029-L1039 HydrophobicContact CG1-CD1 4.45Å; A1035-L1039 WeakPolarHBondContact O-CB 3.39Å; A1035-L1039 WeakPolarHBondContact O-CG 3.5Å; A1035-L1039 PolarHBondContact O-N 3.46Å; R1036-L1039 PolarHBondContact O-N 3.14Å; R1036-L1039 VanDerWaalsContact O-N 3.15Å; L1039-A1042 PolarHBondContact O-N 3.39Å; L1039-L1043 PolarHBondContact O-N 3Å; L1039-L1066 HydrophobicContact CD2-CB 4.47Å; L1039-F1070 HydrophobicContact CD1-CB 3.97Å; L1039-F1070 HydrophobicContact CD1-CD2 4.01Å; L1039-F1070 HydrophobicContact CD1-CG 3.93Å; L1039-F1070 HydrophobicContact CD2-CB 4.49Å; L1039-F1070 HydrophobicContact CD2-CD2 3.34Å; L1039-F1070 HydrophobicContact CD2-CE2 3.77Å; L1039-F1070 HydrophobicContact CD2-CG 4.11Å; L1039-F1070 HydrophobicContact CG-CD2 4.34Å; L1039-L1072 HydrophobicContact CB-CD1 3.69Å; L1039-L1072 HydrophobicContact CB-CD2 3.57Å; L1039-L1072 HydrophobicContact CB-CG 4.2Å; L1039-L1072 HydrophobicContact CD1-CD2 4.09Å; L1039-L1072 HydrophobicContact CD2-CD1 4.39Å; L1039-L1072 HydrophobicContact CG-CD1 4.49Å; L1039-L1072 HydrophobicContact CG-CD2 4.42Å |
| 1040 | L | 59.4 | Low | 54.4 | Low | 14 Ų | 14 | 47.8 Ų | 47.8 | 7% | 0.073 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71 | -33.9 | 174.9 | -67.5 | 157.1 | 0 | 0 | 0 | 112.2 | I842 R1036 L1043 N1044 L1072 | I842-L1040 HydrophobicContact CB-CD1 4.42Å; I842-L1040 HydrophobicContact CB-CD2 4.39Å; I842-L1040 HydrophobicContact CG2-CB 4.07Å; I842-L1040 HydrophobicContact CG2-CD1 2.97Å; I842-L1040 HydrophobicContact CG2-CD2 3.32Å; I842-L1040 HydrophobicContact CG2-CG 3.54Å; R1036-L1040 HydrophobicContact CB-CD1 4.43Å; R1036-L1040 HydrophobicContact CG-CD1 3.35Å; R1036-L1040 HydrophobicContact CG-CG 4.44Å; R1036-L1040 WeakPolarHBondContact O-CB 3.42Å; R1036-L1040 VanDerWaalsContact O-CD1 3.22Å; R1036-L1040 WeakPolarHBondContact O-CD1 3.44Å; R1036-L1040 WeakPolarHBondContact O-CG 3.36Å; R1036-L1040 PolarHBondContact O-N 3.32Å; L1040-L1043 HydrophobicContact CD2-CD1 4.36Å; L1040-N1044 PolarHBondContact O-N 3.31Å; L1040-L1072 HydrophobicContact CD2-CD2 4.43Å |
| 1041 | A | 51.9 | Low | 52.3 | Low | 27 Ų | 27 | 51.1 Ų | 51.1 | 22% | 0.223 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1037 R1038 L1043 N1044 E1045 | S1037-A1041 VanDerWaalsContact O-CB 3.26Å; S1037-A1041 WeakPolarHBondContact O-CB 3.2Å; S1037-A1041 PolarHBondContact O-N 3.27Å; R1038-A1041 PolarHBondContact O-N 2.68Å; A1041-L1043 VanDerWaalsContact C-N 3.31Å; A1041-L1043 PolarHBondContact O-N 3.2Å; A1041-N1044 CarbonylContact O-C 3.58Å; A1041-N1044 WeakPolarHBondContact O-CA 3.14Å; A1041-N1044 WeakPolarHBondContact O-CB 3.44Å; A1041-N1044 PolarHBondContact O-N 3.14Å; A1041-E1045 PolarHBondContact O-N 3.41Å |
| 1042 | A | 48.5 | Very low | 50.2 | Low | 31 Ų | 31 | 52.1 Ų | 52.1 | 26% | 0.256 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1038 L1039 N1044 E1045 S1046 | R1038-A1042 WeakPolarHBondContact O-CB 3.33Å; R1038-A1042 PolarHBondContact O-N 3.39Å; L1039-A1042 PolarHBondContact O-N 3.39Å; A1042-N1044 VanDerWaalsContact C-N 3.35Å; A1042-E1045 PolarHBondContact O-N 3.38Å; A1042-S1046 WeakPolarHBondContact O-CB 3.35Å; A1042-S1046 PolarHBondContact O-N 3.47Å |
| 1043 | L | 50.7 | Low | 48.2 | Very low | 22 Ų | 22 | 55.9 Ų | 55.9 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 170.6 | -85.7 | 175.7 | 0 | 0 | 0 | 112.3 | L1039 L1040 A1041 S1046 T1047 S1067 L1072 | L1039-L1043 PolarHBondContact O-N 3Å; L1040-L1043 HydrophobicContact CD2-CD1 4.36Å; A1041-L1043 VanDerWaalsContact C-N 3.31Å; A1041-L1043 PolarHBondContact O-N 3.2Å; L1043-S1046 PolarHBondContact O-N 2.96Å; L1043-S1046 PolarHBondContact O-OG 3.31Å; L1043-T1047 PolarHBondContact O-N 3.14Å; L1043-T1047 PolarHBondContact O-OG1 2.96Å; L1043-S1067 VanDerWaalsContact CD2-CB 3.47Å; L1043-L1072 HydrophobicContact CD1-CB 3.5Å; L1043-L1072 HydrophobicContact CD1-CD1 3.41Å; L1043-L1072 VanDerWaalsContact CD1-CD1 3.41Å; L1043-L1072 HydrophobicContact CD1-CG 4.01Å; L1043-L1072 HydrophobicContact CD2-CD1 4.4Å; L1043-L1072 HydrophobicContact CG-CD1 3.65Å |
| 1044 | N | 44.8 | Very low | 46.4 | Very low | 39 Ų | 39 | 60.7 Ų | 60.7 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.8 | -36.2 | 177.4 | -88 | 5.8 | 0 | 0 | 0 | 112.8 | S843 L1040 A1041 A1042 S1046 T1047 R1048 | S843-N1044 WeakPolarHBondContact CB-ND2 3.43Å; S843-N1044 PolarHBondContact OG-ND2 3.2Å; L1040-N1044 PolarHBondContact O-N 3.31Å; A1041-N1044 CarbonylContact O-C 3.58Å; A1041-N1044 WeakPolarHBondContact O-CA 3.14Å; A1041-N1044 WeakPolarHBondContact O-CB 3.44Å; A1041-N1044 PolarHBondContact O-N 3.14Å; A1042-N1044 VanDerWaalsContact C-N 3.35Å; N1044-S1046 VanDerWaalsContact C-N 3.34Å; N1044-T1047 VanDerWaalsContact CA-OG1 3.3Å; N1044-T1047 WeakPolarHBondContact CA-OG1 3.29Å; N1044-T1047 PolarHBondContact O-N 3.12Å; N1044-T1047 PolarHBondContact O-OG1 2.9Å; N1044-R1048 VanDerWaalsContact O-CB 3.23Å; N1044-R1048 WeakPolarHBondContact O-CB 3.27Å; N1044-R1048 VanDerWaalsContact O-CG 3.25Å; N1044-R1048 WeakPolarHBondContact O-CG 3.33Å; N1044-R1048 PolarHBondContact O-N 3.09Å |
| 1045 | E | 38.9 | Very low | 44.6 | Very low | 129 Ų | 129 | 63.9 Ų | 63.9 | 60% | 0.603 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.4 | -32.6 | 172.3 | -73.8 | -176 | 173.2 | 0 | 0 | 111.9 | A1041 A1042 G1049 | A1041-E1045 PolarHBondContact O-N 3.41Å; A1042-E1045 PolarHBondContact O-N 3.38Å; E1045-G1049 VanDerWaalsContact O-CA 3.29Å; E1045-G1049 WeakPolarHBondContact O-CA 3.49Å; E1045-G1049 PolarHBondContact O-N 3.35Å |
| 1046 | S | 38 | Very low | 42.9 | Very low | 46 Ų | 46 | 66.5 Ų | 66.5 | 32% | 0.322 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.4 | -35.8 | 174.7 | 83.7 | 0 | 0 | 0 | 0 | 112.7 | A1042 L1043 N1044 A1050 | A1042-S1046 WeakPolarHBondContact O-CB 3.35Å; A1042-S1046 PolarHBondContact O-N 3.47Å; L1043-S1046 PolarHBondContact O-N 2.96Å; L1043-S1046 PolarHBondContact O-OG 3.31Å; N1044-S1046 VanDerWaalsContact C-N 3.34Å; S1046-A1050 WeakPolarHBondContact O-CB 3.04Å; S1046-A1050 PolarHBondContact O-N 3.32Å |
| 1047 | T | 39.4 | Very low | 41.1 | Very low | 87 Ų | 87 | 70.9 Ų | 70.9 | 53% | 0.534 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -75.6 | -38.1 | 175.1 | 31.8 | 0 | 0 | 0 | 0 | 111.7 | L1043 N1044 | L1043-T1047 PolarHBondContact O-N 3.14Å; L1043-T1047 PolarHBondContact O-OG1 2.96Å; N1044-T1047 VanDerWaalsContact CA-OG1 3.3Å; N1044-T1047 WeakPolarHBondContact CA-OG1 3.29Å; N1044-T1047 PolarHBondContact O-N 3.12Å; N1044-T1047 PolarHBondContact O-OG1 2.9Å |
| 1048 | R | 35.1 | Very low | 39.6 | Very low | 89 Ų | 89 | 76.1 Ų | 76.1 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70 | -31.7 | 171.4 | -74.2 | 176.3 | 165.7 | 172.9 | -2 | 112.8 | E776 N1044 | E776-R1048 IonicContact OE2-CZ 3.33Å; E776-R1048 IonicContact OE2-NE 3.52Å; E776-R1048 PolarHBondContact OE2-NE 2.8Å; E776-R1048 IonicContact OE2-NH2 3.54Å; E776-R1048 PolarHBondContact OE2-NH2 3.26Å; N1044-R1048 VanDerWaalsContact O-CB 3.23Å; N1044-R1048 WeakPolarHBondContact O-CB 3.27Å; N1044-R1048 VanDerWaalsContact O-CG 3.25Å; N1044-R1048 WeakPolarHBondContact O-CG 3.33Å; N1044-R1048 PolarHBondContact O-N 3.09Å |
| 1049 | G | 30.6 | Very low | 38.2 | Very low | 10 Ų | 10 | 74.6 Ų | 74.6 | 10% | 0.103 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -79 | -24.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1045 I1051 N1052 L1053 | E1045-G1049 VanDerWaalsContact O-CA 3.29Å; E1045-G1049 WeakPolarHBondContact O-CA 3.49Å; E1045-G1049 PolarHBondContact O-N 3.35Å; G1049-I1051 PolarHBondContact O-N 3.48Å; G1049-I1051 VanDerWaalsContact O-N 3.15Å; G1049-N1052 PolarHBondContact O-N 2.94Å; G1049-L1053 WeakPolarHBondContact O-CA 3.47Å; G1049-L1053 WeakPolarHBondContact O-CB 3.28Å; G1049-L1053 PolarHBondContact O-N 3.02Å |
| 1050 | A | 32.8 | Very low | 36.8 | Very low | 76 Ų | 76 | 77.1 Ų | 77.1 | 63% | 0.628 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.1 | -17.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1046 | S1046-A1050 WeakPolarHBondContact O-CB 3.04Å; S1046-A1050 PolarHBondContact O-N 3.32Å |
| 1051 | I | 33.7 | Very low | 35.6 | Very low | 70 Ų | 70 | 84.8 Ų | 84.8 | 36% | 0.359 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -100.5 | -19.5 | 176 | -59.7 | 176 | 0 | 0 | 0 | 112.1 | Y769 G1049 | Y769-I1051 HydrophobicContact CE1-CD1 4.34Å; G1049-I1051 PolarHBondContact O-N 3.48Å; G1049-I1051 VanDerWaalsContact O-N 3.15Å |
| 1052 | N | 29.9 | Very low | 35.2 | Very low | 68 Ų | 68 | 86.6 Ų | 86.6 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -127.8 | -2.8 | -173 | -85.8 | -32.4 | 0 | 0 | 0 | 116.5 | Q722 G1049 | Q722-N1052 PolarHBondContact OE1-ND2 3.03Å; G1049-N1052 PolarHBondContact O-N 2.94Å |
| 1053 | L | 28.1 | Very low | 34.7 | Very low | 116 Ų | 116 | 90.7 Ų | 90.7 | 61% | 0.607 | 48% | 0.482 | S | S | * | . | trans | -126.4 | 72.5 | -179.2 | -71.6 | 161.1 | 0 | 0 | 0 | 110.6 | G1049 | G1049-L1053 WeakPolarHBondContact O-CA 3.47Å; G1049-L1053 WeakPolarHBondContact O-CB 3.28Å; G1049-L1053 PolarHBondContact O-N 3.02Å | ||
| 1054 | K | 30.7 | Very low | 34.4 | Very low | 123 Ų | 123 | 94.4 Ų | 94.4 | 54% | 0.535 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -103.4 | 7.9 | 154.1 | -86.1 | -175.3 | -173.8 | 173.5 | 0 | 112.5 | ||
| 1055 | E | 28.3 | Very low | 34.5 | Very low | 141 Ų | 141 | 96.5 Ų | 96.5 | 66% | 0.659 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -136.8 | 113.4 | -175.6 | -61.7 | -169.9 | 154.7 | 0 | 0 | 110.6 | ||
| 1056 | N | 28.5 | Very low | 34.9 | Very low | 81 Ų | 81 | 93.3 Ų | 93.3 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | S | Bend | trans | 97.5 | 137.1 | 177.5 | -57.3 | -40.7 | 0 | 0 | 0 | 117 | ||
| 1057 | I | 33.2 | Very low | 35.4 | Very low | 100 Ų | 100 | 91.9 Ų | 91.9 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | trans | 95 | 80.5 | 173.6 | -46.8 | 172.2 | 0 | 0 | 0 | 114.9 | D1059 | I1057-D1059 VanDerWaalsContact C-N 3.29Å; I1057-D1059 HydrophobicContact CG2-CB 4.01Å; I1057-D1059 PolarHBondContact O-N 3.18Å; I1057-D1059 VanDerWaalsContact O-N 3.1Å | ||
| 1058 | N | 29.5 | Very low | 35.9 | Very low | 131 Ų | 131 | 89.9 Ų | 89.9 | 70% | 0.701 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 99.4 | 138.6 | -72.2 | -36.6 | 0 | 0 | 0 | 107.5 | ||
| 1059 | D | 29.6 | Very low | 36.6 | Very low | 149 Ų | 149 | 90.2 Ų | 90.2 | 80% | 0.797 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 168.8 | -3.5 | 157.8 | -89.7 | -14.7 | 0 | 0 | 0 | 111.9 | I1057 H1061 | I1057-D1059 VanDerWaalsContact C-N 3.29Å; I1057-D1059 HydrophobicContact CG2-CB 4.01Å; I1057-D1059 PolarHBondContact O-N 3.18Å; I1057-D1059 VanDerWaalsContact O-N 3.1Å; D1059-H1061 PolarHBondContact O-N 3.49Å |
| 1060 | S | 31.8 | Very low | 37.6 | Very low | 71 Ų | 71 | 92.4 Ų | 92.4 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 33.4 | -168.2 | 71.9 | 0 | 0 | 0 | 0 | 116.3 | S1062 | S1060-S1062 PolarHBondContact O-N 3.09Š|
| 1061 | H | 34.3 | Very low | 38.6 | Very low | 175 Ų | 175 | 88.8 Ų | 88.8 | 81% | 0.81 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -0.9 | 167.3 | -93.5 | -67 | 0 | 0 | 0 | 112.9 | D1059 | D1059-H1061 PolarHBondContact O-N 3.49Š|
| 1062 | S | 42.7 | Very low | 39.6 | Very low | 64 Ų | 64 | 85.6 Ų | 85.6 | 45% | 0.448 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -85.5 | -46.9 | 178 | 49.6 | 0 | 0 | 0 | 0 | 112.9 | S1060 D1065 L1066 | S1060-S1062 PolarHBondContact O-N 3.09Å; S1062-D1065 CarbonylContact O-C 3.56Å; S1062-D1065 WeakPolarHBondContact O-CB 3.23Å; S1062-D1065 PolarHBondContact O-N 3.45Å; S1062-L1066 VanDerWaalsContact O-CG 3.31Å; S1062-L1066 WeakPolarHBondContact O-CG 3.4Å; S1062-L1066 PolarHBondContact O-N 3.28Å |
| 1063 | E | 39.3 | Very low | 40.8 | Very low | 117 Ų | 117 | 83.2 Ų | 83.2 | 55% | 0.547 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -75.7 | -35.4 | -158 | -74.1 | 174.5 | 169.9 | 0 | 0 | 117 | D1065 L1066 S1067 | E1063-D1065 VanDerWaalsContact C-N 3.34Å; E1063-L1066 HydrophobicContact CB-CD1 4.43Å; E1063-L1066 HydrophobicContact CG-CD1 4.05Å; E1063-L1066 WeakPolarHBondContact O-CB 3.37Å; E1063-L1066 PolarHBondContact O-N 3.24Å; E1063-S1067 PolarHBondContact O-N 3.3Å |
| 1064 | I | 42.7 | Very low | 42.2 | Very low | 101 Ų | 101 | 80.8 Ų | 80.8 | 52% | 0.518 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -77.3 | -26.7 | 173.3 | -62.7 | 169.8 | 0 | 0 | 0 | 110.7 | L1066 S1067 M1068 | I1064-L1066 VanDerWaalsContact C-N 3.3Å; I1064-S1067 PolarHBondContact O-OG 3.43Å; I1064-M1068 PolarHBondContact O-N 3.09Å |
| 1065 | D | 47.2 | Very low | 43.6 | Very low | 82 Ų | 82 | 75.8 Ų | 75.8 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.4 | -29.7 | 167.7 | -87.2 | -16.6 | 0 | 0 | 0 | 110.6 | S1062 E1063 M1068 T1069 | S1062-D1065 CarbonylContact O-C 3.56Å; S1062-D1065 WeakPolarHBondContact O-CB 3.23Å; S1062-D1065 PolarHBondContact O-N 3.45Å; E1063-D1065 VanDerWaalsContact C-N 3.34Å; D1065-M1068 PolarHBondContact O-N 3.24Å; D1065-T1069 WeakPolarHBondContact O-CA 3.47Å; D1065-T1069 WeakPolarHBondContact O-CB 3.37Å; D1065-T1069 PolarHBondContact O-N 3.32Å; D1065-T1069 PolarHBondContact O-OG1 2.95Å |
| 1066 | L | 48.2 | Very low | 45.1 | Very low | 62 Ų | 62 | 70.2 Ų | 70.2 | 33% | 0.325 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 174.5 | -61.1 | 167 | 0 | 0 | 0 | 110.9 | L1039 S1062 E1063 I1064 M1068 T1069 F1070 | L1039-L1066 HydrophobicContact CD2-CB 4.47Å; S1062-L1066 VanDerWaalsContact O-CG 3.31Å; S1062-L1066 WeakPolarHBondContact O-CG 3.4Å; S1062-L1066 PolarHBondContact O-N 3.28Å; E1063-L1066 HydrophobicContact CB-CD1 4.43Å; E1063-L1066 HydrophobicContact CG-CD1 4.05Å; E1063-L1066 WeakPolarHBondContact O-CB 3.37Å; E1063-L1066 PolarHBondContact O-N 3.24Å; I1064-L1066 VanDerWaalsContact C-N 3.3Å; L1066-M1068 VanDerWaalsContact C-N 3.33Å; L1066-M1068 PolarHBondContact O-N 3.25Å; L1066-T1069 PolarHBondContact O-N 2.96Å; L1066-F1070 HydrophobicContact CB-CD2 3.9Å; L1066-F1070 HydrophobicContact CB-CE2 3.88Å; L1066-F1070 HydrophobicContact CD2-CD2 4.33Å; L1066-F1070 HydrophobicContact CD2-CE2 3.44Å; L1066-F1070 VanDerWaalsContact CD2-CE2 3.44Å; L1066-F1070 HydrophobicContact CD2-CZ 4.2Å; L1066-F1070 HydrophobicContact CG-CE2 4.18Å; L1066-F1070 WeakPolarHBondContact O-CB 3.25Å; L1066-F1070 WeakPolarHBondContact O-CD2 3.23Å; L1066-F1070 WeakPolarHBondContact O-CG 3.38Å; L1066-F1070 PolarHBondContact O-N 2.97Å |
| 1067 | S | 47.2 | Very low | 47 | Very low | 16 Ų | 16 | 66.7 Ų | 66.7 | 11% | 0.112 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 179.9 | 60.7 | 0 | 0 | 0 | 0 | 113 | L1043 E1063 I1064 G1071 | L1043-S1067 VanDerWaalsContact CD2-CB 3.47Å; E1063-S1067 PolarHBondContact O-N 3.3Å; I1064-S1067 PolarHBondContact O-OG 3.43Å; S1067-G1071 PolarHBondContact O-N 2.91Å; S1067-G1071 VanDerWaalsContact O-N 3.15Å |
| 1068 | M | 51.5 | Low | 48.7 | Very low | 45 Ų | 45 | 61.9 Ų | 61.9 | 22% | 0.222 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74.3 | -35 | 174.9 | -69.1 | -154.5 | -63.6 | 0 | 0 | 113 | K944 V948 I1064 D1065 L1066 | K944-M1068 HydrophobicContact CB-CE 4.24Å; K944-M1068 HydrophobicContact CB-SD 4Å; V948-M1068 HydrophobicContact CG2-CG 4.32Å; V948-M1068 HydrophobicContact CG2-SD 4.16Å; I1064-M1068 PolarHBondContact O-N 3.09Å; D1065-M1068 PolarHBondContact O-N 3.24Å; L1066-M1068 VanDerWaalsContact C-N 3.33Å; L1066-M1068 PolarHBondContact O-N 3.25Å |
| 1069 | T | 49.3 | Very low | 50.2 | Low | 96 Ų | 96 | 57.4 Ų | 57.4 | 59% | 0.589 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -74.1 | -34.3 | -179.2 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | D1065 L1066 | D1065-T1069 WeakPolarHBondContact O-CA 3.47Å; D1065-T1069 WeakPolarHBondContact O-CB 3.37Å; D1065-T1069 PolarHBondContact O-N 3.32Å; D1065-T1069 PolarHBondContact O-OG1 2.95Å; L1066-T1069 PolarHBondContact O-N 2.96Å |
| 1070 | F | 52.1 | Low | 51.9 | Low | 56 Ų | 56 | 52.7 Ų | 52.7 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -94.2 | -13.8 | -179.1 | -63.4 | -60.8 | 0 | 0 | 0 | 114.1 | P1028 I1029 L1039 L1066 | P1028-F1070 HydrophobicContact CB-CD1 4.37Å; P1028-F1070 HydrophobicContact CG-CD1 3.78Å; P1028-F1070 HydrophobicContact CG-CE1 3.89Å; I1029-F1070 WeakPolarHBondContact CD1-O 3.18Å; L1039-F1070 HydrophobicContact CD1-CB 3.97Å; L1039-F1070 HydrophobicContact CD1-CD2 4.01Å; L1039-F1070 HydrophobicContact CD1-CG 3.93Å; L1039-F1070 HydrophobicContact CD2-CB 4.49Å; L1039-F1070 HydrophobicContact CD2-CD2 3.34Å; L1039-F1070 HydrophobicContact CD2-CE2 3.77Å; L1039-F1070 HydrophobicContact CD2-CG 4.11Å; L1039-F1070 HydrophobicContact CG-CD2 4.34Å; L1066-F1070 HydrophobicContact CB-CD2 3.9Å; L1066-F1070 HydrophobicContact CB-CE2 3.88Å; L1066-F1070 HydrophobicContact CD2-CD2 4.33Å; L1066-F1070 HydrophobicContact CD2-CE2 3.44Å; L1066-F1070 VanDerWaalsContact CD2-CE2 3.44Å; L1066-F1070 HydrophobicContact CD2-CZ 4.2Å; L1066-F1070 HydrophobicContact CG-CE2 4.18Å; L1066-F1070 WeakPolarHBondContact O-CB 3.25Å; L1066-F1070 WeakPolarHBondContact O-CD2 3.23Å; L1066-F1070 WeakPolarHBondContact O-CG 3.38Å; L1066-F1070 PolarHBondContact O-N 2.97Å |
| 1071 | G | 52.8 | Low | 54 | Low | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 51.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S990 I1029 S1067 | S990-G1071 WeakPolarHBondContact CB-O 3.13Å; S990-G1071 PolarHBondContact OG-O 2.94Å; I1029-G1071 VanDerWaalsContact CD1-O 3.25Å; I1029-G1071 WeakPolarHBondContact CD1-O 3.44Å; S1067-G1071 PolarHBondContact O-N 2.91Å; S1067-G1071 VanDerWaalsContact O-N 3.15Å |
| 1072 | L | 54.6 | Low | 55.9 | Low | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | trans | -70.3 | 140.1 | -179.1 | -68.7 | 159.4 | 0 | 0 | 0 | 111.3 | I1029 L1039 L1040 L1043 Q1074 | I1029-L1072 HydrophobicContact CD1-CB 4.45Å; I1029-L1072 HydrophobicContact CD1-CD2 3.61Å; I1029-L1072 HydrophobicContact CD1-CG 4.08Å; I1029-L1072 HydrophobicContact CG1-CD2 3.71Å; L1039-L1072 HydrophobicContact CB-CD1 3.69Å; L1039-L1072 HydrophobicContact CB-CD2 3.57Å; L1039-L1072 HydrophobicContact CB-CG 4.2Å; L1039-L1072 HydrophobicContact CD1-CD2 4.09Å; L1039-L1072 HydrophobicContact CD2-CD1 4.39Å; L1039-L1072 HydrophobicContact CG-CD1 4.49Å; L1039-L1072 HydrophobicContact CG-CD2 4.42Å; L1040-L1072 HydrophobicContact CD2-CD2 4.43Å; L1043-L1072 HydrophobicContact CD1-CB 3.5Å; L1043-L1072 HydrophobicContact CD1-CD1 3.41Å; L1043-L1072 VanDerWaalsContact CD1-CD1 3.41Å; L1043-L1072 HydrophobicContact CD1-CG 4.01Å; L1043-L1072 HydrophobicContact CD2-CD1 4.4Å; L1043-L1072 HydrophobicContact CG-CD1 3.65Å; L1072-Q1074 PolarHBondContact O-N 3.49Å | ||
| 1073 | P | 55.4 | Low | 57.7 | Low | 19 Ų | 19 | 38.8 Ų | 38.8 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | trans | -60.7 | 129.2 | 176.9 | -8.8 | 19 | 0 | 0 | 0 | 110.3 | E952 W1083 | E952-P1073 WeakPolarHBondContact OE1-CA 3.27Å; P1073-W1083 HydrophobicContact CG-CG 4.24Å | ||
| 1074 | Q | 56.8 | Low | 59.9 | Low | 64 Ų | 64 | 33.2 Ų | 33.2 | 30% | 0.299 | 18% | 0.184 | S | C | . | . | trans | -101.8 | -14.8 | -179.6 | -64.1 | -68.5 | -30.1 | 0 | 0 | 112.6 | T949 E952 L1072 | T949-Q1074 HydrophobicContact CG2-CB 4.09Å; E952-Q1074 PolarHBondContact OE1-N 3.35Å; E952-Q1074 VanDerWaalsContact OE1-N 3.1Å; E952-Q1074 PolarHBondContact OE2-N 3.18Å; E952-Q1074 VanDerWaalsContact OE2-N 3.16Å; L1072-Q1074 PolarHBondContact O-N 3.49Å | ||
| 1075 | I | 61.7 | Low | 62.1 | Low | 18 Ų | 18 | 28.4 Ų | 28.4 | 9% | 0.092 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -140 | 144.1 | -167.5 | -60.2 | 153.1 | 0 | 0 | 0 | 109.8 | Y908 T949 E952 L953 | Y908-I1075 HydrophobicContact CD1-CG2 3.93Å; Y908-I1075 HydrophobicContact CE1-CG2 3.33Å; T949-I1075 HydrophobicContact CG2-CD1 4.23Å; E952-I1075 HydrophobicContact CB-CD1 4.46Å; E952-I1075 HydrophobicContact CG-CD1 4.45Å; L953-I1075 VanDerWaalsContact CA-CD1 3.46Å; L953-I1075 HydrophobicContact CB-CD1 3.39Å; L953-I1075 HydrophobicContact CD1-CD1 3.63Å; L953-I1075 HydrophobicContact CD1-CG1 4.4Å; L953-I1075 HydrophobicContact CD1-CG2 4.34Å; L953-I1075 HydrophobicContact CD2-CD1 4.48Å; L953-I1075 HydrophobicContact CG-CD1 3.99Å |
| 1076 | L | 59.7 | Low | 64 | Low | 24 Ų | 24 | 24.5 Ų | 24.5 | 13% | 0.126 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 138.9 | 173.3 | -160.8 | 76.8 | 0 | 0 | 0 | 110 | P836 S838 Y908 | P836-L1076 HydrophobicContact CB-CB 4.41Å; P836-L1076 HydrophobicContact CB-CD2 4Å; P836-L1076 HydrophobicContact CG-CB 4.34Å; P836-L1076 HydrophobicContact CG-CD2 4.37Å; S838-L1076 WeakPolarHBondContact OG-CD1 3.33Å; S838-L1076 WeakPolarHBondContact OG-CD2 3.25Å; Y908-L1076 PolarHBondContact OH-O 3.37Å |
| 1077 | W | 68.3 | Low | 66 | Low | 7 Ų | 7 | 21.6 Ų | 21.6 | 3% | 0.027 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -78.7 | 147 | -173.3 | -76.2 | 57.6 | 0 | 0 | 0 | 111.8 | H956 A993 A994 L997 H1081 W1083 | H956-W1077 AromaticContact CE1-CD1 3.57Å; H956-W1077 AromaticContact CE1-CD2 3.54Å; H956-W1077 AromaticContact CE1-CE2 3.31Å; H956-W1077 AromaticContact CE1-CG 3.63Å; H956-W1077 AromaticContact CE1-CZ2 3.84Å; H956-W1077 AromaticContact CE1-NE1 3.34Å; H956-W1077 PolarHBondContact CE1-NE1 2.8Å; H956-W1077 VanDerWaalsContact CE1-NE1 3.34Å; H956-W1077 AromaticContact NE2-CD2 3.8Å; H956-W1077 AromaticContact NE2-CE2 3.46Å; H956-W1077 AromaticContact NE2-CH2 3.95Å; H956-W1077 AromaticContact NE2-CZ2 3.51Å; H956-W1077 AromaticContact NE2-NE1 3.94Å; A993-W1077 VanDerWaalsContact C-CH2 3.44Å; A993-W1077 HydrophobicContact CB-CH2 3.69Å; A993-W1077 HydrophobicContact CB-CZ2 4.29Å; A994-W1077 HydrophobicContact CB-CH2 4.35Å; L997-W1077 HydrophobicContact CB-CE3 4.33Å; L997-W1077 HydrophobicContact CB-CZ3 3.75Å; L997-W1077 HydrophobicContact CD2-CD2 4.36Å; L997-W1077 HydrophobicContact CD2-CE3 3.3Å; L997-W1077 HydrophobicContact CD2-CZ3 3.61Å; L997-W1077 HydrophobicContact CG-CE3 4.3Å; L997-W1077 HydrophobicContact CG-CZ3 4.22Å; W1077-H1081 WeakPolarHBondContact CB-O 3Å; W1077-W1083 AromaticContact CE2-CD1 3.43Å; W1077-W1083 VanDerWaalsContact CE2-CD1 3.43Å; W1077-W1083 AromaticContact CH2-CD1 3.93Å; W1077-W1083 HydrophobicContact CH2-CG 4.48Å; W1077-W1083 WeakPolarHBondContact CH2-O 3.44Å; W1077-W1083 HydrophobicContact CZ2-CB 4.43Å; W1077-W1083 AromaticContact CZ2-CD1 3.09Å; W1077-W1083 AromaticContact CZ2-CG 3.95Å; W1077-W1083 HydrophobicContact CZ2-CG 3.95Å; W1077-W1083 AromaticContact CZ2-NE1 3.63Å; W1077-W1083 VanDerWaalsContact CZ3-O 3.27Å; W1077-W1083 WeakPolarHBondContact CZ3-O 3.45Å; W1077-W1083 AromaticContact NE1-CD1 3.53Å |
| 1078 | P | 67.6 | Low | 68.1 | Low | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -70.3 | 141.9 | -169.8 | 27.9 | -32.9 | 0 | 0 | 0 | 112.6 | Y908 H956 T959 A960 I963 L997 N1080 H1081 | Y908-P1078 HydrophobicContact CE2-CB 4.32Å; Y908-P1078 WeakPolarHBondContact OH-CD 3.45Å; H956-P1078 HydrophobicContact CB-CG 4.4Å; T959-P1078 HydrophobicContact CG2-CG 3.77Å; A960-P1078 HydrophobicContact CB-CB 3.89Å; I963-P1078 HydrophobicContact CD1-CB 4.2Å; I963-P1078 HydrophobicContact CD1-CG 4.46Å; L997-P1078 HydrophobicContact CD2-CG 3.81Å; P1078-N1080 VanDerWaalsContact C-N 3.34Å; P1078-N1080 PolarHBondContact O-N 2.83Å; P1078-H1081 PolarHBondContact O-N 3.43Å; P1078-H1081 PolarHBondContact O-ND1 2.91Å |
| 1079 | G | 61.3 | Low | 69.9 | Low | 36 Ų | 36 | 19.8 Ų | 19.8 | 37% | 0.371 | 11% | 0.113 | S | C | . | . | G | 310 helix | trans | 64.1 | 32.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1080 | N | 66.3 | Low | 71.8 | Confident | 50 Ų | 50 | 15.3 Ų | 15.3 | 27% | 0.267 | 9% | 0.085 | S | C | . | . | G | 310 helix | trans | 56.6 | 49.1 | -174 | -60.5 | -24.8 | 0 | 0 | 0 | 111.8 | P1078 W1199 | P1078-N1080 VanDerWaalsContact C-N 3.34Å; P1078-N1080 PolarHBondContact O-N 2.83Å; N1080-W1199 HydrophobicContact CB-CD2 4.05Å; N1080-W1199 HydrophobicContact CB-CE3 3.4Å; N1080-W1199 HydrophobicContact CB-CZ3 3.79Å; N1080-W1199 WeakPolarHBondContact O-CZ3 3.34Å |
| 1081 | H | 74.7 | Confident | 73.5 | Confident | 16 Ų | 16 | 12.7 Ų | 12.7 | 7% | 0.074 | 7% | 0.074 | C | C | . | . | trans | -97.1 | 142.6 | 162 | -68.4 | 88 | 0 | 0 | 0 | 112.5 | L997 W1077 P1078 D1085 W1199 | L997-H1081 HydrophobicContact CD1-CB 3.99Å; L997-H1081 HydrophobicContact CD2-CB 4.26Å; W1077-H1081 WeakPolarHBondContact CB-O 3Å; P1078-H1081 PolarHBondContact O-N 3.43Å; P1078-H1081 PolarHBondContact O-ND1 2.91Å; H1081-D1085 VanDerWaalsContact CA-OD2 3.31Å; H1081-D1085 WeakPolarHBondContact CA-OD2 3.2Å; H1081-D1085 HydrophobicContact CB-CB 4.15Å; H1081-D1085 IonicContact CD2-OD2 3.08Å; H1081-W1199 WeakPolarHBondContact O-CH2 3.46Å; H1081-W1199 VanDerWaalsContact O-CZ3 3.27Å; H1081-W1199 WeakPolarHBondContact O-CZ3 3.43Å | ||
| 1082 | G | 75.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -78.2 | 165.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1084 D1085 V1142 M1143 | G1082-L1084 PolarHBondContact O-N 2.87Å; G1082-L1084 VanDerWaalsContact O-N 3.1Å; G1082-D1085 WeakPolarHBondContact CA-OD1 3.33Å; G1082-D1085 PolarHBondContact N-OD1 3.49Å; G1082-D1085 VanDerWaalsContact N-OD1 3.13Å; G1082-D1085 PolarHBondContact N-OD2 2.69Å; G1082-D1085 PolarHBondContact O-N 3.1Å; G1082-V1142 CarbonylContact C-O 2.99Å; G1082-V1142 VanDerWaalsContact CA-O 3.29Å; G1082-V1142 WeakPolarHBondContact CA-O 3.35Å; G1082-M1143 CarbonylContact C-O 3.58Å | ||
| 1083 | W | 78.8 | Confident | 76.6 | Confident | 3 Ų | 3 | 16.5 Ų | 16.5 | 1% | 0.011 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -34.4 | 179.3 | -168.6 | 67.1 | 0 | 0 | 0 | 113.9 | P989 A993 I1024 I1029 A1030 P1073 W1077 V1142 M1143 | P989-W1083 HydrophobicContact CB-CH2 4.08Å; P989-W1083 HydrophobicContact CB-CZ2 4.18Å; A993-W1083 HydrophobicContact CB-CZ2 4.43Å; I1024-W1083 HydrophobicContact CG2-CH2 4.28Å; I1024-W1083 HydrophobicContact CG2-CZ3 4.25Å; I1029-W1083 HydrophobicContact CB-CH2 3.93Å; I1029-W1083 HydrophobicContact CB-CZ3 4.12Å; I1029-W1083 HydrophobicContact CD1-CH2 4.26Å; I1029-W1083 HydrophobicContact CD1-CZ2 4.24Å; I1029-W1083 HydrophobicContact CG2-CE3 4.09Å; I1029-W1083 HydrophobicContact CG2-CH2 3.8Å; I1029-W1083 HydrophobicContact CG2-CZ2 4.24Å; I1029-W1083 HydrophobicContact CG2-CZ3 3.72Å; A1030-W1083 HydrophobicContact CB-CZ3 4.23Å; P1073-W1083 HydrophobicContact CG-CG 4.24Å; W1077-W1083 AromaticContact CE2-CD1 3.43Å; W1077-W1083 VanDerWaalsContact CE2-CD1 3.43Å; W1077-W1083 AromaticContact CH2-CD1 3.93Å; W1077-W1083 HydrophobicContact CH2-CG 4.48Å; W1077-W1083 WeakPolarHBondContact CH2-O 3.44Å; W1077-W1083 HydrophobicContact CZ2-CB 4.43Å; W1077-W1083 AromaticContact CZ2-CD1 3.09Å; W1077-W1083 AromaticContact CZ2-CG 3.95Å; W1077-W1083 HydrophobicContact CZ2-CG 3.95Å; W1077-W1083 AromaticContact CZ2-NE1 3.63Å; W1077-W1083 VanDerWaalsContact CZ3-O 3.27Å; W1077-W1083 WeakPolarHBondContact CZ3-O 3.45Å; W1077-W1083 AromaticContact NE1-CD1 3.53Å; W1083-V1142 PolarHBondContact N-O 2.86Å; W1083-M1143 HydrophobicContact CB-SD 3.85Å; W1083-M1143 HydrophobicContact CD2-SD 3.97Å; W1083-M1143 HydrophobicContact CE3-CE 4.09Å; W1083-M1143 HydrophobicContact CE3-SD 3.28Å; W1083-M1143 HydrophobicContact CG-SD 4.22Å; W1083-M1143 HydrophobicContact CZ3-SD 4.11Å; W1083-M1143 PolarHBondContact N-O 2.95Å |
| 1084 | L | 86.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -1.9 | -175.7 | -63.8 | 176.8 | 0 | 0 | 0 | 114.5 | I1024 G1082 G1086 L1087 F1088 C1118 M1143 L1144 | I1024-L1084 HydrophobicContact CG2-CD2 3.62Å; G1082-L1084 PolarHBondContact O-N 2.87Å; G1082-L1084 VanDerWaalsContact O-N 3.1Å; L1084-G1086 VanDerWaalsContact C-N 3.33Å; L1084-G1086 PolarHBondContact O-N 3.28Å; L1084-L1087 HydrophobicContact CD2-CD2 4.14Å; L1084-L1087 VanDerWaalsContact O-CB 3.22Å; L1084-L1087 WeakPolarHBondContact O-CB 3.27Å; L1084-L1087 PolarHBondContact O-N 3.06Å; L1084-F1088 HydrophobicContact CB-CD2 4.18Å; L1084-F1088 HydrophobicContact CB-CE2 3.83Å; L1084-F1088 HydrophobicContact CD1-CE2 4.39Å; L1084-F1088 VanDerWaalsContact O-CD2 3.31Å; L1084-F1088 WeakPolarHBondContact O-CD2 3.5Å; L1084-F1088 PolarHBondContact O-N 3.12Å; L1084-C1118 WeakPolarHBondContact CD1-SG 3.39Å; L1084-M1143 HydrophobicContact CD1-CG 4.09Å; L1084-M1143 HydrophobicContact CD1-SD 3.94Å; L1084-M1143 HydrophobicContact CG-SD 4.01Å; L1084-M1143 PolarHBondContact N-O 2.55Å; L1084-L1144 HydrophobicContact CB-CD1 3.85Å |
| 1085 | D | 88 | Confident | 79.1 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57 | -48.6 | -175.8 | -74.4 | 22.4 | 0 | 0 | 0 | 111.7 | H1081 G1082 L1087 F1088 N1089 L1144 S1145 G1148 | H1081-D1085 VanDerWaalsContact CA-OD2 3.31Å; H1081-D1085 WeakPolarHBondContact CA-OD2 3.2Å; H1081-D1085 HydrophobicContact CB-CB 4.15Å; H1081-D1085 IonicContact CD2-OD2 3.08Å; G1082-D1085 WeakPolarHBondContact CA-OD1 3.33Å; G1082-D1085 PolarHBondContact N-OD1 3.49Å; G1082-D1085 VanDerWaalsContact N-OD1 3.13Å; G1082-D1085 PolarHBondContact N-OD2 2.69Å; G1082-D1085 PolarHBondContact O-N 3.1Å; D1085-L1087 PolarHBondContact O-N 2.89Å; D1085-F1088 PolarHBondContact O-N 3.43Å; D1085-N1089 WeakPolarHBondContact O-CB 3.47Å; D1085-N1089 VanDerWaalsContact O-CG 3.31Å; D1085-N1089 PolarHBondContact O-N 3.33Å; D1085-L1144 WeakPolarHBondContact OD1-CD1 3.19Å; D1085-S1145 PolarHBondContact OD1-N 2.96Å; D1085-S1145 WeakPolarHBondContact OD2-CB 3.37Å; D1085-S1145 PolarHBondContact OD2-OG 2.97Å; D1085-G1148 WeakPolarHBondContact OD1-CA 3.44Å |
| 1086 | G | 88 | Confident | 79.9 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.1 | -33.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1084 L1090 | L1084-G1086 VanDerWaalsContact C-N 3.33Å; L1084-G1086 PolarHBondContact O-N 3.28Å; G1086-L1090 WeakPolarHBondContact O-CB 3.49Å; G1086-L1090 PolarHBondContact O-N 2.69Å |
| 1087 | L | 90.7 | Very high | 80.7 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.6 | -49.7 | 179.9 | -166.1 | 68.7 | 0 | 0 | 0 | 111.6 | A996 M1021 I1024 L1025 L1084 D1085 A1091 | A996-L1087 HydrophobicContact CB-CD1 4.05Å; M1021-L1087 HydrophobicContact CB-CD1 4.01Å; M1021-L1087 HydrophobicContact CB-CG 4.42Å; M1021-L1087 HydrophobicContact CG-CD1 3.57Å; M1021-L1087 HydrophobicContact CG-CG 4.15Å; I1024-L1087 HydrophobicContact CB-CD2 4.13Å; I1024-L1087 HydrophobicContact CD1-CD1 3.53Å; I1024-L1087 HydrophobicContact CD1-CD2 4.5Å; I1024-L1087 HydrophobicContact CG2-CD2 3.93Å; L1025-L1087 HydrophobicContact CD1-CD2 4.48Å; L1025-L1087 HydrophobicContact CD2-CD2 3.95Å; L1025-L1087 HydrophobicContact CG-CD2 3.85Å; L1084-L1087 HydrophobicContact CD2-CD2 4.14Å; L1084-L1087 VanDerWaalsContact O-CB 3.22Å; L1084-L1087 WeakPolarHBondContact O-CB 3.27Å; L1084-L1087 PolarHBondContact O-N 3.06Å; D1085-L1087 PolarHBondContact O-N 2.89Å; L1087-A1091 WeakPolarHBondContact O-CB 3.29Å; L1087-A1091 PolarHBondContact O-N 2.71Å |
| 1088 | F | 91.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -72.3 | -37.9 | -178.8 | -65.2 | -63.3 | 0 | 0 | 0 | 111.9 | L1025 L1084 D1085 A1091 Q1092 I1115 L1144 A1152 L1155 | L1025-F1088 HydrophobicContact CD2-CE1 4.32Å; L1025-F1088 HydrophobicContact CD2-CZ 3.85Å; L1084-F1088 HydrophobicContact CB-CD2 4.18Å; L1084-F1088 HydrophobicContact CB-CE2 3.83Å; L1084-F1088 HydrophobicContact CD1-CE2 4.39Å; L1084-F1088 VanDerWaalsContact O-CD2 3.31Å; L1084-F1088 WeakPolarHBondContact O-CD2 3.5Å; L1084-F1088 PolarHBondContact O-N 3.12Å; D1085-F1088 PolarHBondContact O-N 3.43Å; F1088-A1091 WeakPolarHBondContact O-CB 3.25Å; F1088-A1091 PolarHBondContact O-N 2.95Å; F1088-Q1092 PolarHBondContact O-N 3.31Å; F1088-I1115 HydrophobicContact CE1-CG1 3.89Å; F1088-L1144 HydrophobicContact CD2-CD1 3.51Å; F1088-L1144 HydrophobicContact CD2-CD2 4.45Å; F1088-L1144 HydrophobicContact CE2-CD1 3.68Å; F1088-L1144 HydrophobicContact CE2-CD2 4.12Å; F1088-A1152 HydrophobicContact CB-CB 4.42Å; F1088-A1152 HydrophobicContact CD1-CB 3.91Å; F1088-A1152 HydrophobicContact CD2-CB 3.99Å; F1088-A1152 HydrophobicContact CE1-CB 4.15Å; F1088-A1152 HydrophobicContact CE2-CB 4.17Å; F1088-A1152 HydrophobicContact CG-CB 3.84Å; F1088-A1152 HydrophobicContact CZ-CB 4.25Å; F1088-L1155 HydrophobicContact CD1-CD2 3.93Å |
| 1089 | N | 88.6 | Confident | 80.7 | Confident | 22 Ų | 22 | 23.1 Ų | 23.1 | 12% | 0.118 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.2 | -50.2 | 173.3 | -72.3 | -7.3 | 0 | 0 | 0 | 111.3 | D1085 A1091 Q1092 I1093 S1151 | D1085-N1089 WeakPolarHBondContact O-CB 3.47Å; D1085-N1089 VanDerWaalsContact O-CG 3.31Å; D1085-N1089 PolarHBondContact O-N 3.33Å; N1089-A1091 VanDerWaalsContact C-N 3.32Å; N1089-A1091 PolarHBondContact O-N 3.33Å; N1089-Q1092 PolarHBondContact O-N 3.46Å; N1089-I1093 WeakPolarHBondContact O-CG1 3.05Å; N1089-I1093 PolarHBondContact O-N 2.82Å; N1089-S1151 WeakPolarHBondContact OD1-CB 3.09Å; N1089-S1151 PolarHBondContact OD1-OG 3.49Å |
| 1090 | L | 89.5 | Confident | 81 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 179 | -175.5 | 64 | 0 | 0 | 0 | 111.5 | L983 A996 L999 Y1003 I1010 I1017 G1086 Q1092 I1093 I1094 | L983-L1090 HydrophobicContact CD2-CD2 3.6Å; A996-L1090 HydrophobicContact CB-CD2 4.26Å; L999-L1090 HydrophobicContact CB-CD1 4.11Å; L999-L1090 HydrophobicContact CB-CD2 4.15Å; L999-L1090 HydrophobicContact CD1-CD2 4.41Å; Y1003-L1090 HydrophobicContact CD2-CD1 4.3Å; I1010-L1090 HydrophobicContact CD1-CD1 4.12Å; I1017-L1090 HydrophobicContact CG2-CD2 4.46Å; G1086-L1090 WeakPolarHBondContact O-CB 3.49Å; G1086-L1090 PolarHBondContact O-N 2.69Å; L1090-Q1092 VanDerWaalsContact C-N 3.34Å; L1090-Q1092 PolarHBondContact O-N 3.26Å; L1090-I1093 PolarHBondContact O-N 3.41Å; L1090-I1094 HydrophobicContact CG-CD1 4.02Å; L1090-I1094 HydrophobicContact CG-CG1 4.45Å; L1090-I1094 WeakPolarHBondContact O-CD1 3.38Å; L1090-I1094 WeakPolarHBondContact O-CG1 3.5Å; L1090-I1094 PolarHBondContact O-N 3.22Å |
| 1091 | A | 88.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.2 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1021 L1087 F1088 N1089 I1094 C1095 L1155 | M1021-A1091 HydrophobicContact CE-CB 3.3Å; M1021-A1091 HydrophobicContact SD-CB 3.89Å; L1087-A1091 WeakPolarHBondContact O-CB 3.29Å; L1087-A1091 PolarHBondContact O-N 2.71Å; F1088-A1091 WeakPolarHBondContact O-CB 3.25Å; F1088-A1091 PolarHBondContact O-N 2.95Å; N1089-A1091 VanDerWaalsContact C-N 3.32Å; N1089-A1091 PolarHBondContact O-N 3.33Å; A1091-I1094 PolarHBondContact O-N 3.36Å; A1091-C1095 PolarHBondContact O-N 2.8Å; A1091-C1095 PolarHBondContact O-SG 2.86Å; A1091-C1095 VanDerWaalsContact O-SG 3.32Å; A1091-L1155 HydrophobicContact CB-CD1 3.9Å; A1091-L1155 HydrophobicContact CB-CD2 3.61Å; A1091-L1155 HydrophobicContact CB-CG 4.39Å |
| 1092 | Q | 85.2 | Confident | 81.5 | Confident | 58 Ų | 58 | 30 Ų | 30 | 27% | 0.271 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 177.2 | -172.3 | 175.7 | -6.7 | 0 | 0 | 111.1 | F1088 N1089 L1090 I1094 C1095 T1096 | F1088-Q1092 PolarHBondContact O-N 3.31Å; N1089-Q1092 PolarHBondContact O-N 3.46Å; L1090-Q1092 VanDerWaalsContact C-N 3.34Å; L1090-Q1092 PolarHBondContact O-N 3.26Å; Q1092-I1094 PolarHBondContact O-N 2.96Å; Q1092-C1095 WeakPolarHBondContact O-CB 3.25Å; Q1092-C1095 PolarHBondContact O-N 3.09Å; Q1092-T1096 PolarHBondContact O-N 3.26Å |
| 1093 | I | 85.3 | Confident | 81.6 | Confident | 25 Ų | 25 | 31.2 Ų | 31.2 | 13% | 0.128 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 174.5 | -66.2 | 165.9 | 0 | 0 | 0 | 110.5 | E1004 N1089 L1090 C1095 T1096 Q1097 | E1004-I1093 HydrophobicContact CB-CD1 4.28Å; N1089-I1093 WeakPolarHBondContact O-CG1 3.05Å; N1089-I1093 PolarHBondContact O-N 2.82Å; L1090-I1093 PolarHBondContact O-N 3.41Å; I1093-C1095 VanDerWaalsContact C-N 3.3Å; I1093-C1095 PolarHBondContact O-N 3.46Å; I1093-T1096 PolarHBondContact O-N 3.38Å; I1093-T1096 PolarHBondContact O-OG1 2.94Å; I1093-Q1097 PolarHBondContact O-N 3Å |
| 1094 | I | 84.6 | Confident | 81.7 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.1 | -37.1 | -179.7 | -52.8 | 152.7 | 0 | 0 | 0 | 111.1 | I1010 I1017 L1090 A1091 Q1092 T1096 Q1097 A1098 I1102 | I1010-I1094 HydrophobicContact CD1-CB 4.4Å; I1010-I1094 HydrophobicContact CD1-CD1 4.37Å; I1010-I1094 HydrophobicContact CD1-CG1 3.37Å; I1017-I1094 HydrophobicContact CB-CD1 4.07Å; I1017-I1094 HydrophobicContact CD1-CD1 3.8Å; I1017-I1094 HydrophobicContact CD1-CG1 4.26Å; I1017-I1094 HydrophobicContact CG2-CD1 3.39Å; L1090-I1094 HydrophobicContact CG-CD1 4.02Å; L1090-I1094 HydrophobicContact CG-CG1 4.45Å; L1090-I1094 WeakPolarHBondContact O-CD1 3.38Å; L1090-I1094 WeakPolarHBondContact O-CG1 3.5Å; L1090-I1094 PolarHBondContact O-N 3.22Å; A1091-I1094 PolarHBondContact O-N 3.36Å; Q1092-I1094 PolarHBondContact O-N 2.96Å; I1094-T1096 PolarHBondContact O-N 2.97Å; I1094-Q1097 PolarHBondContact O-N 2.96Å; I1094-Q1097 VanDerWaalsContact O-N 3.12Å; I1094-A1098 HydrophobicContact CG2-CB 3.95Å; I1094-A1098 WeakPolarHBondContact O-CB 3.12Å; I1094-A1098 PolarHBondContact O-N 3.29Å; I1094-I1102 HydrophobicContact CB-CD1 3.81Å; I1094-I1102 HydrophobicContact CG2-CD1 3.18Å |
| 1095 | C | 80.7 | Confident | 81.5 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 9% | 0.088 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.3 | -35 | 173.6 | -75.4 | 0 | 0 | 0 | 0 | 112.8 | A1091 Q1092 I1093 W1103 F1106 T1158 | A1091-C1095 PolarHBondContact O-N 2.8Å; A1091-C1095 PolarHBondContact O-SG 2.86Å; A1091-C1095 VanDerWaalsContact O-SG 3.32Å; Q1092-C1095 WeakPolarHBondContact O-CB 3.25Å; Q1092-C1095 PolarHBondContact O-N 3.09Å; I1093-C1095 VanDerWaalsContact C-N 3.3Å; I1093-C1095 PolarHBondContact O-N 3.46Å; C1095-W1103 HydrophobicContact CB-CH2 3.77Å; C1095-W1103 HydrophobicContact CB-CZ2 4.23Å; C1095-W1103 WeakPolarHBondContact SG-CH2 3.03Å; C1095-F1106 WeakPolarHBondContact SG-CE2 3.44Å; C1095-T1158 HydrophobicContact CB-CG2 4.41Å |
| 1096 | T | 78.1 | Confident | 81.4 | Confident | 113 Ų | 113 | 38.3 Ų | 38.3 | 69% | 0.693 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -74.7 | -30.7 | 176.6 | 65.5 | 0 | 0 | 0 | 0 | 113 | Q1092 I1093 I1094 | Q1092-T1096 PolarHBondContact O-N 3.26Å; I1093-T1096 PolarHBondContact O-N 3.38Å; I1093-T1096 PolarHBondContact O-OG1 2.94Å; I1094-T1096 PolarHBondContact O-N 2.97Å |
| 1097 | Q | 76.7 | Confident | 81.2 | Confident | 72 Ų | 72 | 41.7 Ų | 41.7 | 34% | 0.336 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -91.6 | -39 | -175.2 | -63.8 | -174.6 | -5.5 | 0 | 0 | 114.7 | Y1008 I1093 I1094 G1099 | Y1008-Q1097 PolarHBondContact O-NE2 3.4Å; Y1008-Q1097 PolarHBondContact O-OE1 3.25Å; I1093-Q1097 PolarHBondContact O-N 3Å; I1094-Q1097 PolarHBondContact O-N 2.96Å; I1094-Q1097 VanDerWaalsContact O-N 3.12Å; Q1097-G1099 PolarHBondContact O-N 3.41Å |
| 1098 | A | 67.7 | Low | 81 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 22% | 0.223 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -89 | 3.3 | -163.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | P1014 I1094 I1102 | P1014-A1098 HydrophobicContact CB-CB 4.45Å; P1014-A1098 HydrophobicContact CG-CB 3.99Å; I1094-A1098 HydrophobicContact CG2-CB 3.95Å; I1094-A1098 WeakPolarHBondContact O-CB 3.12Å; I1094-A1098 PolarHBondContact O-N 3.29Å; A1098-I1102 HydrophobicContact CB-CB 4.05Å; A1098-I1102 HydrophobicContact CB-CD1 4.36Å; A1098-I1102 HydrophobicContact CB-CG2 4.22Å |
| 1099 | G | 68.1 | Low | 80.7 | Confident | 42 Ų | 42 | 49.9 Ų | 49.9 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -139.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1097 W1103 | Q1097-G1099 PolarHBondContact O-N 3.41Å; G1099-W1103 PolarHBondContact O-NE1 3.43Å; G1099-W1103 VanDerWaalsContact O-NE1 3.09Å |
| 1100 | N | 68.6 | Low | 80.7 | Confident | 122 Ų | 122 | 55.7 Ų | 55.7 | 65% | 0.652 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -15.9 | -172.1 | -76.3 | -25.7 | 0 | 0 | 0 | 115.2 | ||
| 1101 | I | 70.6 | Confident | 80.6 | Confident | 124 Ų | 124 | 55.5 Ų | 55.5 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -72.3 | -37.1 | -169.5 | -62.4 | 170.3 | 0 | 0 | 0 | 111.3 | W1103 Q1104 | I1101-W1103 VanDerWaalsContact C-N 3.25Å; I1101-W1103 PolarHBondContact O-N 3.34Å; I1101-Q1104 PolarHBondContact O-N 2.99Å |
| 1102 | I | 80.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66 | -24.7 | -176.1 | -163.9 | 167 | 0 | 0 | 0 | 114.1 | P1014 V1018 I1094 A1098 Q1104 S1105 F1106 | P1014-I1102 HydrophobicContact CB-CB 4.32Å; P1014-I1102 HydrophobicContact CB-CD1 4.16Å; P1014-I1102 HydrophobicContact CB-CG1 4.12Å; V1018-I1102 HydrophobicContact CG2-CD1 4.11Å; V1018-I1102 HydrophobicContact CG2-CG1 3.94Å; I1094-I1102 HydrophobicContact CB-CD1 3.81Å; I1094-I1102 HydrophobicContact CG2-CD1 3.18Å; A1098-I1102 HydrophobicContact CB-CB 4.05Å; A1098-I1102 HydrophobicContact CB-CD1 4.36Å; A1098-I1102 HydrophobicContact CB-CG2 4.22Å; I1102-Q1104 VanDerWaalsContact C-N 3.27Å; I1102-Q1104 PolarHBondContact O-N 2.69Å; I1102-S1105 VanDerWaalsContact O-CB 3.32Å; I1102-S1105 WeakPolarHBondContact O-CB 3.23Å; I1102-S1105 PolarHBondContact O-N 2.85Å; I1102-S1105 VanDerWaalsContact O-N 3.15Å; I1102-S1105 PolarHBondContact O-OG 3.04Å; I1102-F1106 HydrophobicContact CB-CD2 4.5Å; I1102-F1106 HydrophobicContact CB-CE2 4.35Å; I1102-F1106 HydrophobicContact CD1-CD2 4.4Å; I1102-F1106 HydrophobicContact CD1-CE2 3.57Å; I1102-F1106 HydrophobicContact CD1-CZ 4.02Å; I1102-F1106 HydrophobicContact CG1-CD2 3.79Å; I1102-F1106 HydrophobicContact CG1-CE2 3.45Å; I1102-F1106 VanDerWaalsContact CG1-CE2 3.45Å; I1102-F1106 HydrophobicContact CG1-CZ 4.24Å; I1102-F1106 HydrophobicContact CG2-CD2 4.32Å; I1102-F1106 HydrophobicContact CG2-CE2 4.12Å; I1102-F1106 VanDerWaalsContact O-CD2 3.29Å; I1102-F1106 WeakPolarHBondContact O-CD2 3.11Å; I1102-F1106 PolarHBondContact O-N 3.49Å |
| 1103 | W | 78 | Confident | 80.4 | Confident | 25 Ų | 25 | 56.9 Ų | 56.9 | 10% | 0.095 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66 | -31.9 | -178.8 | -55.3 | 114.7 | 0 | 0 | 0 | 112.4 | C1095 G1099 I1101 S1105 F1106 L1107 T1158 I1159 K1162 | C1095-W1103 HydrophobicContact CB-CH2 3.77Å; C1095-W1103 HydrophobicContact CB-CZ2 4.23Å; C1095-W1103 WeakPolarHBondContact SG-CH2 3.03Å; G1099-W1103 PolarHBondContact O-NE1 3.43Å; G1099-W1103 VanDerWaalsContact O-NE1 3.09Å; I1101-W1103 VanDerWaalsContact C-N 3.25Å; I1101-W1103 PolarHBondContact O-N 3.34Å; W1103-S1105 VanDerWaalsContact C-N 3.33Å; W1103-F1106 AromaticContact CE3-CD2 3.92Å; W1103-F1106 HydrophobicContact CE3-CD2 3.92Å; W1103-F1106 HydrophobicContact CZ3-CD2 4.12Å; W1103-F1106 HydrophobicContact CZ3-CE2 4.35Å; W1103-F1106 PolarHBondContact O-N 3Å; W1103-L1107 VanDerWaalsContact O-CG 3.31Å; W1103-L1107 WeakPolarHBondContact O-CG 3.17Å; W1103-L1107 PolarHBondContact O-N 2.75Å; W1103-T1158 HydrophobicContact CH2-CG2 3.5Å; W1103-T1158 VanDerWaalsContact CH2-CG2 3.5Å; W1103-T1158 HydrophobicContact CZ2-CG2 4.18Å; W1103-T1158 HydrophobicContact CZ3-CG2 4.41Å; W1103-I1159 HydrophobicContact CE3-CG1 4.45Å; W1103-I1159 HydrophobicContact CZ3-CB 4.44Å; W1103-I1159 HydrophobicContact CZ3-CG1 3.88Å; W1103-K1162 HydrophobicContact CD2-CB 4.32Å; W1103-K1162 HydrophobicContact CD2-CG 3.88Å; W1103-K1162 HydrophobicContact CE3-CG 4.29Å; W1103-K1162 HydrophobicContact CG-CG 4.35Å; W1103-K1162 HydrophobicContact CH2-CG 4.34Å; W1103-K1162 HydrophobicContact CZ2-CG 3.91Å |
| 1104 | Q | 80.1 | Confident | 80.4 | Confident | 148 Ų | 148 | 57.7 Ų | 57.7 | 69% | 0.692 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.5 | -42.3 | 174.4 | -70.7 | -174.5 | -17.1 | 0 | 0 | 110.6 | I1101 I1102 L1107 E1108 | I1101-Q1104 PolarHBondContact O-N 2.99Å; I1102-Q1104 VanDerWaalsContact C-N 3.27Å; I1102-Q1104 PolarHBondContact O-N 2.69Å; Q1104-L1107 PolarHBondContact O-N 2.91Å; Q1104-E1108 WeakPolarHBondContact O-CB 3.46Å; Q1104-E1108 PolarHBondContact O-N 3.01Å |
| 1105 | S | 84.4 | Confident | 80.6 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 175.8 | -32.6 | 0 | 0 | 0 | 0 | 111.7 | N1015 I1102 W1103 L1107 E1108 F1109 | N1015-S1105 WeakPolarHBondContact OD1-CB 3.34Å; N1015-S1105 PolarHBondContact OD1-OG 3.27Å; I1102-S1105 VanDerWaalsContact O-CB 3.32Å; I1102-S1105 WeakPolarHBondContact O-CB 3.23Å; I1102-S1105 PolarHBondContact O-N 2.85Å; I1102-S1105 VanDerWaalsContact O-N 3.15Å; I1102-S1105 PolarHBondContact O-OG 3.04Å; W1103-S1105 VanDerWaalsContact C-N 3.33Å; S1105-L1107 VanDerWaalsContact C-N 3.25Å; S1105-L1107 PolarHBondContact O-N 3.43Å; S1105-E1108 PolarHBondContact O-N 2.85Å; S1105-F1109 VanDerWaalsContact O-CD2 3.26Å; S1105-F1109 WeakPolarHBondContact O-CD2 3.44Å; S1105-F1109 PolarHBondContact O-N 3.25Å |
| 1106 | F | 85.8 | Confident | 81.1 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.4 | -38.2 | 178.3 | -80.2 | -61.7 | 0 | 0 | 0 | 112.6 | V1018 M1021 C1095 I1102 W1103 R1110 I1111 L1155 I1159 | V1018-F1106 HydrophobicContact CG1-CD1 4.26Å; V1018-F1106 HydrophobicContact CG2-CD1 4.39Å; V1018-F1106 HydrophobicContact CG2-CE1 4.13Å; V1018-F1106 HydrophobicContact CG2-CZ 4.2Å; M1021-F1106 HydrophobicContact CE-CE1 4.06Å; C1095-F1106 WeakPolarHBondContact SG-CE2 3.44Å; I1102-F1106 HydrophobicContact CB-CD2 4.5Å; I1102-F1106 HydrophobicContact CB-CE2 4.35Å; I1102-F1106 HydrophobicContact CD1-CD2 4.4Å; I1102-F1106 HydrophobicContact CD1-CE2 3.57Å; I1102-F1106 HydrophobicContact CD1-CZ 4.02Å; I1102-F1106 HydrophobicContact CG1-CD2 3.79Å; I1102-F1106 HydrophobicContact CG1-CE2 3.45Å; I1102-F1106 VanDerWaalsContact CG1-CE2 3.45Å; I1102-F1106 HydrophobicContact CG1-CZ 4.24Å; I1102-F1106 HydrophobicContact CG2-CD2 4.32Å; I1102-F1106 HydrophobicContact CG2-CE2 4.12Å; I1102-F1106 VanDerWaalsContact O-CD2 3.29Å; I1102-F1106 WeakPolarHBondContact O-CD2 3.11Å; I1102-F1106 PolarHBondContact O-N 3.49Å; W1103-F1106 AromaticContact CE3-CD2 3.92Å; W1103-F1106 HydrophobicContact CE3-CD2 3.92Å; W1103-F1106 HydrophobicContact CZ3-CD2 4.12Å; W1103-F1106 HydrophobicContact CZ3-CE2 4.35Å; W1103-F1106 PolarHBondContact O-N 3Å; F1106-R1110 PolarHBondContact O-N 3.27Å; F1106-R1110 VanDerWaalsContact O-N 3.16Å; F1106-I1111 HydrophobicContact CD1-CB 3.67Å; F1106-I1111 HydrophobicContact CD1-CG1 3.66Å; F1106-I1111 HydrophobicContact CD1-CG2 3.78Å; F1106-I1111 HydrophobicContact CE1-CB 4.39Å; F1106-I1111 HydrophobicContact CE1-CG1 4.3Å; F1106-I1111 HydrophobicContact CE1-CG2 4.03Å; F1106-I1111 PolarHBondContact O-N 3.48Å; F1106-L1155 HydrophobicContact CZ-CD1 4.35Å; F1106-I1159 HydrophobicContact CD1-CD1 4.49Å |
| 1107 | L | 83.8 | Confident | 81.5 | Confident | 70 Ų | 70 | 54.3 Ų | 54.3 | 37% | 0.366 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -72.2 | -46.4 | 175.7 | -68.1 | 170.1 | 0 | 0 | 0 | 111.9 | W1103 Q1104 S1105 F1109 R1110 K1163 L1166 | W1103-L1107 VanDerWaalsContact O-CG 3.31Å; W1103-L1107 WeakPolarHBondContact O-CG 3.17Å; W1103-L1107 PolarHBondContact O-N 2.75Å; Q1104-L1107 PolarHBondContact O-N 2.91Å; S1105-L1107 VanDerWaalsContact C-N 3.25Å; S1105-L1107 PolarHBondContact O-N 3.43Å; L1107-F1109 VanDerWaalsContact C-N 3.3Å; L1107-F1109 PolarHBondContact O-N 3.03Å; L1107-R1110 PolarHBondContact O-N 3.26Å; L1107-R1110 VanDerWaalsContact O-N 3.09Å; L1107-K1163 HydrophobicContact CD1-CG 4.3Å; L1107-L1166 HydrophobicContact CD2-CD2 3.9Å |
| 1108 | E | 85.1 | Confident | 81.9 | Confident | 136 Ų | 136 | 50.9 Ų | 50.9 | 64% | 0.636 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -57.9 | -42.9 | 179.2 | -175.8 | 176.8 | -172.7 | 0 | 0 | 111.5 | Q1104 S1105 | Q1104-E1108 WeakPolarHBondContact O-CB 3.46Å; Q1104-E1108 PolarHBondContact O-N 3.01Å; S1105-E1108 PolarHBondContact O-N 2.85Å |
| 1109 | F | 85.7 | Confident | 82.9 | Confident | 37 Ų | 37 | 49.6 Ų | 49.6 | 16% | 0.162 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 5.8 | 178.3 | -67.7 | -74.7 | 0 | 0 | 0 | 114.1 | V1018 Q1019 S1105 L1107 I1111 R1114 | V1018-F1109 HydrophobicContact CB-CD2 4.4Å; V1018-F1109 HydrophobicContact CG1-CB 4.03Å; V1018-F1109 HydrophobicContact CG1-CD2 3.69Å; V1018-F1109 HydrophobicContact CG1-CG 4.17Å; Q1019-F1109 HydrophobicContact CB-CE1 4.07Å; Q1019-F1109 HydrophobicContact CB-CE2 4.28Å; Q1019-F1109 HydrophobicContact CB-CZ 3.81Å; Q1019-F1109 HydrophobicContact CG-CE1 3.97Å; Q1019-F1109 HydrophobicContact CG-CZ 4.06Å; S1105-F1109 VanDerWaalsContact O-CD2 3.26Å; S1105-F1109 WeakPolarHBondContact O-CD2 3.44Å; S1105-F1109 PolarHBondContact O-N 3.25Å; L1107-F1109 VanDerWaalsContact C-N 3.3Å; L1107-F1109 PolarHBondContact O-N 3.03Å; F1109-I1111 VanDerWaalsContact C-N 3.29Å; F1109-I1111 HydrophobicContact CB-CD1 4.18Å; F1109-I1111 HydrophobicContact CB-CG1 4.21Å; F1109-I1111 PolarHBondContact O-N 3.01Å; F1109-R1114 PolarHBondContact O-NE 3.28Å; F1109-R1114 PolarHBondContact O-NH2 3.01Å |
| 1110 | R | 87.7 | Confident | 83.7 | Confident | 144 Ų | 144 | 48.3 Ų | 48.3 | 54% | 0.543 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 41.8 | 177.4 | -57.3 | -175.4 | 174.2 | -148.4 | 3.2 | 114.5 | F1106 L1107 S1112 E1113 R1114 | F1106-R1110 PolarHBondContact O-N 3.27Å; F1106-R1110 VanDerWaalsContact O-N 3.16Å; L1107-R1110 PolarHBondContact O-N 3.26Å; L1107-R1110 VanDerWaalsContact O-N 3.09Å; R1110-S1112 VanDerWaalsContact C-N 3.25Å; R1110-S1112 PolarHBondContact O-N 3.45Å; R1110-E1113 WeakPolarHBondContact CD-OE2 3.31Å; R1110-E1113 IonicContact NH1-OE1 3.09Å; R1110-E1113 IonicContact NH1-OE2 3.57Å; R1110-E1113 PolarHBondContact NH1-OE2 3.18Å; R1110-E1113 VanDerWaalsContact NH1-OE2 3.08Å; R1110-E1113 PolarHBondContact O-N 3.34Å; R1110-R1114 WeakPolarHBondContact O-CG 3.45Å; R1110-R1114 PolarHBondContact O-N 3.02Å |
| 1111 | I | 87.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -33.3 | -175.5 | -62.5 | -60.6 | 0 | 0 | 0 | 111.9 | V1018 L1025 F1106 F1109 E1113 R1114 I1115 | V1018-I1111 HydrophobicContact CG1-CD1 4.3Å; V1018-I1111 HydrophobicContact CG1-CG1 3.92Å; L1025-I1111 HydrophobicContact CD1-CD1 4.34Å; L1025-I1111 HydrophobicContact CD1-CG2 4.47Å; F1106-I1111 HydrophobicContact CD1-CB 3.67Å; F1106-I1111 HydrophobicContact CD1-CG1 3.66Å; F1106-I1111 HydrophobicContact CD1-CG2 3.78Å; F1106-I1111 HydrophobicContact CE1-CB 4.39Å; F1106-I1111 HydrophobicContact CE1-CG1 4.3Å; F1106-I1111 HydrophobicContact CE1-CG2 4.03Å; F1106-I1111 PolarHBondContact O-N 3.48Å; F1109-I1111 VanDerWaalsContact C-N 3.29Å; F1109-I1111 HydrophobicContact CB-CD1 4.18Å; F1109-I1111 HydrophobicContact CB-CG1 4.21Å; F1109-I1111 PolarHBondContact O-N 3.01Å; I1111-E1113 PolarHBondContact O-N 2.93Å; I1111-R1114 PolarHBondContact O-N 3.49Å; I1111-I1115 HydrophobicContact CG2-CD1 4.14Å; I1111-I1115 HydrophobicContact CG2-CG1 4.34Å; I1111-I1115 WeakPolarHBondContact O-CG1 3.5Å; I1111-I1115 PolarHBondContact O-N 3.05Å |
| 1112 | S | 83.7 | Confident | 84.8 | Confident | 10 Ų | 10 | 38 Ų | 38 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 177 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | R1110 R1114 W1116 | R1110-S1112 VanDerWaalsContact C-N 3.25Å; R1110-S1112 PolarHBondContact O-N 3.45Å; S1112-R1114 VanDerWaalsContact C-N 3.3Å; S1112-R1114 PolarHBondContact O-N 3.39Å; S1112-W1116 PolarHBondContact O-NE1 2.86Å |
| 1113 | E | 85.2 | Confident | 84.8 | Confident | 76 Ų | 76 | 38.7 Ų | 38.7 | 36% | 0.355 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.3 | -40.2 | 176.5 | -68.4 | 173.4 | -156.4 | 0 | 0 | 110.6 | R1110 I1111 W1116 Q1117 | R1110-E1113 WeakPolarHBondContact CD-OE2 3.31Å; R1110-E1113 IonicContact NH1-OE1 3.09Å; R1110-E1113 IonicContact NH1-OE2 3.57Å; R1110-E1113 PolarHBondContact NH1-OE2 3.18Å; R1110-E1113 VanDerWaalsContact NH1-OE2 3.08Å; R1110-E1113 PolarHBondContact O-N 3.34Å; I1111-E1113 PolarHBondContact O-N 2.93Å; E1113-W1116 PolarHBondContact O-N 3.05Å; E1113-Q1117 WeakPolarHBondContact O-CG 3.22Å; E1113-Q1117 PolarHBondContact O-N 3.26Å; E1113-Q1117 VanDerWaalsContact O-N 3.1Å |
| 1114 | R | 86.9 | Confident | 84.7 | Confident | 42 Ų | 42 | 39.2 Ų | 39.2 | 16% | 0.158 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.4 | -31.3 | -176.9 | -63.9 | 174.8 | -168.4 | -163.6 | 11.9 | 113.7 | S1022 L1025 F1109 R1110 I1111 S1112 W1116 C1118 | S1022-R1114 PolarHBondContact O-NH1 3.15Å; S1022-R1114 PolarHBondContact OG-NH1 3.43Å; L1025-R1114 HydrophobicContact CB-CB 4.22Å; L1025-R1114 HydrophobicContact CD1-CB 4.05Å; F1109-R1114 PolarHBondContact O-NE 3.28Å; F1109-R1114 PolarHBondContact O-NH2 3.01Å; R1110-R1114 WeakPolarHBondContact O-CG 3.45Å; R1110-R1114 PolarHBondContact O-N 3.02Å; I1111-R1114 PolarHBondContact O-N 3.49Å; S1112-R1114 VanDerWaalsContact C-N 3.3Å; S1112-R1114 PolarHBondContact O-N 3.39Å; R1114-W1116 VanDerWaalsContact C-N 3.33Å; R1114-C1118 VanDerWaalsContact O-CB 3.24Å; R1114-C1118 WeakPolarHBondContact O-CB 3.31Å; R1114-C1118 PolarHBondContact O-N 2.73Å |
| 1115 | I | 88.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.8 | -49.7 | 172.4 | -70.1 | 163.6 | 0 | 0 | 0 | 109.4 | F1088 I1111 C1118 L1119 A1152 L1155 I1159 | F1088-I1115 HydrophobicContact CE1-CG1 3.89Å; I1111-I1115 HydrophobicContact CG2-CD1 4.14Å; I1111-I1115 HydrophobicContact CG2-CG1 4.34Å; I1111-I1115 WeakPolarHBondContact O-CG1 3.5Å; I1111-I1115 PolarHBondContact O-N 3.05Å; I1115-C1118 PolarHBondContact O-N 2.58Å; I1115-L1119 HydrophobicContact CG2-CD1 4.02Å; I1115-L1119 WeakPolarHBondContact O-CG 3.02Å; I1115-L1119 PolarHBondContact O-N 3.03Å; I1115-A1152 HydrophobicContact CG2-CB 4.45Å; I1115-L1155 HydrophobicContact CD1-CD2 3.94Å; I1115-L1155 HydrophobicContact CD1-CG 4.26Å; I1115-I1159 HydrophobicContact CD1-CD1 4.06Å |
| 1116 | W | 90.1 | Very high | 83.6 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.3 | -40.3 | -177.2 | -57.7 | 119.9 | 0 | 0 | 0 | 112.6 | S1112 E1113 R1114 C1118 L1119 E1120 L1153 A1156 F1160 Q1177 M1178 V1181 L1182 L1218 | S1112-W1116 PolarHBondContact O-NE1 2.86Å; E1113-W1116 PolarHBondContact O-N 3.05Å; R1114-W1116 VanDerWaalsContact C-N 3.33Å; W1116-C1118 VanDerWaalsContact C-N 3.35Å; W1116-C1118 PolarHBondContact O-N 3.25Å; W1116-L1119 HydrophobicContact CE3-CD1 3.96Å; W1116-L1119 HydrophobicContact CZ3-CD1 3.88Å; W1116-L1119 PolarHBondContact O-N 3.41Å; W1116-E1120 WeakPolarHBondContact O-CB 3.43Å; W1116-E1120 PolarHBondContact O-N 3.19Å; W1116-L1153 HydrophobicContact CH2-CD2 4.16Å; W1116-L1153 HydrophobicContact CZ3-CD2 4.24Å; W1116-A1156 HydrophobicContact CH2-CB 4.15Å; W1116-A1156 HydrophobicContact CZ2-CB 3.72Å; W1116-F1160 AromaticContact CZ2-CE2 3.94Å; W1116-F1160 HydrophobicContact CZ2-CE2 3.94Å; W1116-F1160 HydrophobicContact CZ2-CZ 4.43Å; W1116-F1160 AromaticContact NE1-CZ 3.82Å; W1116-Q1177 HydrophobicContact CB-CB 4.18Å; W1116-M1178 HydrophobicContact CD2-CB 3.71Å; W1116-M1178 HydrophobicContact CD2-CG 3.81Å; W1116-M1178 HydrophobicContact CE3-CB 4.17Å; W1116-M1178 HydrophobicContact CE3-CG 4.09Å; W1116-M1178 HydrophobicContact CG-CB 3.9Å; W1116-M1178 HydrophobicContact CG-CG 4.46Å; W1116-M1178 HydrophobicContact CH2-CE 4.28Å; W1116-M1178 HydrophobicContact CH2-CG 3.96Å; W1116-M1178 HydrophobicContact CH2-SD 4.47Å; W1116-M1178 HydrophobicContact CZ2-CB 4.43Å; W1116-M1178 HydrophobicContact CZ2-CE 3.82Å; W1116-M1178 HydrophobicContact CZ2-CG 3.63Å; W1116-M1178 HydrophobicContact CZ2-SD 3.7Å; W1116-M1178 HydrophobicContact CZ3-CG 4.16Å; W1116-V1181 HydrophobicContact CE3-CB 4.37Å; W1116-V1181 HydrophobicContact CE3-CG1 4.23Å; W1116-V1181 HydrophobicContact CZ3-CG1 4.23Å; W1116-L1182 HydrophobicContact CH2-CD1 4.45Å; W1116-L1182 HydrophobicContact CH2-CD2 4.19Å; W1116-L1182 HydrophobicContact CH2-CG 4.39Å; W1116-L1182 HydrophobicContact CZ3-CD2 4.15Å; W1116-L1182 HydrophobicContact CZ3-CG 4.22Å; W1116-L1218 HydrophobicContact CH2-CD1 4.02Å |
| 1117 | Q | 86.3 | Confident | 82.1 | Confident | 58 Ų | 58 | 43.1 Ų | 43.1 | 27% | 0.271 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.2 | -45.2 | 172.6 | -71.7 | 170.5 | -9.1 | 0 | 0 | 111.9 | E1113 E1120 Q1121 | E1113-Q1117 WeakPolarHBondContact O-CG 3.22Å; E1113-Q1117 PolarHBondContact O-N 3.26Å; E1113-Q1117 VanDerWaalsContact O-N 3.1Å; Q1117-E1120 PolarHBondContact O-N 3.41Å; Q1117-Q1121 VanDerWaalsContact O-CG 3.24Å; Q1117-Q1121 WeakPolarHBondContact O-CG 3.07Å; Q1117-Q1121 PolarHBondContact O-N 2.72Å; Q1117-Q1121 VanDerWaalsContact O-N 3.17Å |
| 1118 | C | 86.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -46.3 | 178.2 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | L1025 L1084 R1114 I1115 W1116 Q1121 I1122 | L1025-C1118 HydrophobicContact CD2-CB 4.34Å; L1084-C1118 WeakPolarHBondContact CD1-SG 3.39Å; R1114-C1118 VanDerWaalsContact O-CB 3.24Å; R1114-C1118 WeakPolarHBondContact O-CB 3.31Å; R1114-C1118 PolarHBondContact O-N 2.73Å; I1115-C1118 PolarHBondContact O-N 2.58Å; W1116-C1118 VanDerWaalsContact C-N 3.35Å; W1116-C1118 PolarHBondContact O-N 3.25Å; C1118-Q1121 PolarHBondContact O-N 2.76Å; C1118-I1122 WeakPolarHBondContact O-CD1 3.34Å; C1118-I1122 VanDerWaalsContact O-CG1 3.29Å; C1118-I1122 WeakPolarHBondContact O-CG1 3.44Å; C1118-I1122 PolarHBondContact O-N 3.08Å; C1118-I1122 VanDerWaalsContact O-N 3.14Å |
| 1119 | L | 88.3 | Confident | 78 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 178.1 | -70 | 172.8 | 0 | 0 | 0 | 111.3 | I1115 W1116 Q1121 I1122 F1123 L1144 V1181 | I1115-L1119 HydrophobicContact CG2-CD1 4.02Å; I1115-L1119 WeakPolarHBondContact O-CG 3.02Å; I1115-L1119 PolarHBondContact O-N 3.03Å; W1116-L1119 HydrophobicContact CE3-CD1 3.96Å; W1116-L1119 HydrophobicContact CZ3-CD1 3.88Å; W1116-L1119 PolarHBondContact O-N 3.41Å; L1119-Q1121 VanDerWaalsContact C-N 3.25Å; L1119-Q1121 PolarHBondContact O-N 3.39Å; L1119-I1122 PolarHBondContact O-N 3.37Å; L1119-F1123 HydrophobicContact CB-CD2 4.27Å; L1119-F1123 HydrophobicContact CB-CE2 4.14Å; L1119-F1123 HydrophobicContact CD2-CE2 4.14Å; L1119-F1123 WeakPolarHBondContact O-CD2 3.34Å; L1119-F1123 PolarHBondContact O-N 2.83Å; L1119-L1144 HydrophobicContact CD2-CD2 3.62Å; L1119-V1181 HydrophobicContact CB-CG1 3.8Å; L1119-V1181 HydrophobicContact CB-CG2 4.1Å; L1119-V1181 HydrophobicContact CD1-CG1 4.03Å |
| 1120 | E | 85.5 | Confident | 75.3 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57 | -38.1 | 177.5 | -167.4 | 177.8 | -160.6 | 0 | 0 | 112.7 | W1116 Q1117 F1123 D1124 L1125 H1126 Q1177 V1181 | W1116-E1120 WeakPolarHBondContact O-CB 3.43Å; W1116-E1120 PolarHBondContact O-N 3.19Å; Q1117-E1120 PolarHBondContact O-N 3.41Å; E1120-F1123 PolarHBondContact O-N 2.91Å; E1120-D1124 PolarHBondContact O-N 3.49Å; E1120-L1125 HydrophobicContact CG-CB 3.95Å; E1120-L1125 HydrophobicContact CG-CD1 4.39Å; E1120-L1125 HydrophobicContact CG-CG 4.46Å; E1120-L1125 PolarHBondContact O-N 3.32Å; E1120-H1126 IonicContact OE1-CE1 2.84Å; E1120-H1126 PolarHBondContact OE1-CE1 3.03Å; E1120-H1126 IonicContact OE1-ND1 3.98Å; E1120-H1126 PolarHBondContact OE1-ND1 3.29Å; E1120-H1126 IonicContact OE1-NE2 3.7Å; E1120-H1126 IonicContact OE2-CE1 3.69Å; E1120-H1126 PolarHBondContact OE2-CE1 3.34Å; E1120-H1126 IonicContact OE2-NE2 3.63Å; E1120-H1126 PolarHBondContact OE2-NE2 2.86Å; E1120-Q1177 VanDerWaalsContact OE2-CD 3.28Å; E1120-Q1177 VanDerWaalsContact OE2-CG 3.24Å; E1120-Q1177 WeakPolarHBondContact OE2-CG 3.42Å; E1120-Q1177 PolarHBondContact OE2-NE2 3.28Å; E1120-V1181 HydrophobicContact CB-CG2 4.04Å |
| 1121 | Q | 82.1 | Confident | 72.6 | Confident | 28 Ų | 28 | 44.7 Ų | 44.7 | 13% | 0.131 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -77.6 | -18.1 | 176.7 | -64.5 | -69.3 | -35.3 | 0 | 0 | 114.2 | Q1031 Q1033 R1036 Q1117 C1118 L1119 H1126 | Q1031-Q1121 VanDerWaalsContact O-CD 3.25Å; Q1031-Q1121 WeakPolarHBondContact O-CG 3.27Å; Q1031-Q1121 PolarHBondContact O-OE1 3.38Å; Q1033-Q1121 VanDerWaalsContact N-OE1 3.14Å; R1036-Q1121 PolarHBondContact NH2-O 2.99Å; Q1117-Q1121 VanDerWaalsContact O-CG 3.24Å; Q1117-Q1121 WeakPolarHBondContact O-CG 3.07Å; Q1117-Q1121 PolarHBondContact O-N 2.72Å; Q1117-Q1121 VanDerWaalsContact O-N 3.17Å; C1118-Q1121 PolarHBondContact O-N 2.76Å; L1119-Q1121 VanDerWaalsContact C-N 3.25Å; L1119-Q1121 PolarHBondContact O-N 3.39Å; Q1121-H1126 PolarHBondContact NE2-CD2 3Å; Q1121-H1126 PolarHBondContact NE2-NE2 3.33Å; Q1121-H1126 VanDerWaalsContact NE2-NE2 3.13Å |
| 1122 | I | 79.1 | Confident | 69.8 | Low | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -81.9 | -31.7 | 172 | -69.3 | 163.5 | 0 | 0 | 0 | 110.1 | C1118 L1119 I1139 D1140 M1143 L1144 | C1118-I1122 WeakPolarHBondContact O-CD1 3.34Å; C1118-I1122 VanDerWaalsContact O-CG1 3.29Å; C1118-I1122 WeakPolarHBondContact O-CG1 3.44Å; C1118-I1122 PolarHBondContact O-N 3.08Å; C1118-I1122 VanDerWaalsContact O-N 3.14Å; L1119-I1122 PolarHBondContact O-N 3.37Å; I1122-I1139 HydrophobicContact CG2-CG2 4.01Å; I1122-D1140 PolarHBondContact O-N 3.31Å; I1122-M1143 HydrophobicContact CD1-CB 4.24Å; I1122-M1143 HydrophobicContact CD1-CG 3.81Å; I1122-M1143 HydrophobicContact CG1-CB 4.03Å; I1122-M1143 HydrophobicContact CG1-CG 3.78Å; I1122-L1144 HydrophobicContact CD1-CB 3.69Å; I1122-L1144 HydrophobicContact CD1-CD2 4.08Å |
| 1123 | F | 80.7 | Confident | 67.3 | Low | 14 Ų | 14 | 55.2 Ų | 55.2 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -93.3 | -6.2 | 179.1 | -66.2 | -63.9 | 0 | 0 | 0 | 115.1 | L1119 E1120 L1125 I1139 I1149 V1181 H1184 F1185 | L1119-F1123 HydrophobicContact CB-CD2 4.27Å; L1119-F1123 HydrophobicContact CB-CE2 4.14Å; L1119-F1123 HydrophobicContact CD2-CE2 4.14Å; L1119-F1123 WeakPolarHBondContact O-CD2 3.34Å; L1119-F1123 PolarHBondContact O-N 2.83Å; E1120-F1123 PolarHBondContact O-N 2.91Å; F1123-L1125 HydrophobicContact CB-CD1 4.04Å; F1123-L1125 HydrophobicContact CB-CD2 3.89Å; F1123-L1125 HydrophobicContact CB-CG 3.68Å; F1123-L1125 PolarHBondContact O-N 3.17Å; F1123-I1139 HydrophobicContact CD1-CD1 4.29Å; F1123-I1139 HydrophobicContact CD1-CG1 3.8Å; F1123-I1139 HydrophobicContact CD1-CG2 4.14Å; F1123-I1139 HydrophobicContact CE1-CD1 3.95Å; F1123-I1139 HydrophobicContact CE1-CG1 3.88Å; F1123-I1139 HydrophobicContact CE1-CG2 3.83Å; F1123-I1149 HydrophobicContact CZ-CD1 4.11Å; F1123-V1181 HydrophobicContact CD2-CG1 4.18Å; F1123-V1181 HydrophobicContact CE2-CG1 4.11Å; F1123-H1184 AromaticContact CD1-CD2 3.47Å; F1123-H1184 VanDerWaalsContact CD1-CD2 3.47Å; F1123-H1184 WeakPolarHBondContact CD1-CD2 3.15Å; F1123-H1184 AromaticContact CD1-NE2 3.83Å; F1123-H1184 AromaticContact CG-CD2 3.85Å; F1123-F1185 HydrophobicContact CE1-CE1 4.08Å; F1123-F1185 HydrophobicContact CE1-CZ 4.3Å; F1123-F1185 HydrophobicContact CE2-CE1 4.07Å; F1123-F1185 AromaticContact CE2-CE2 3.9Å; F1123-F1185 HydrophobicContact CE2-CE2 3.9Å; F1123-F1185 AromaticContact CE2-CZ 3.46Å; F1123-F1185 HydrophobicContact CE2-CZ 3.46Å; F1123-F1185 VanDerWaalsContact CE2-CZ 3.46Å; F1123-F1185 HydrophobicContact CZ-CD1 4.27Å; F1123-F1185 AromaticContact CZ-CE1 3.36Å; F1123-F1185 HydrophobicContact CZ-CE1 3.36Å; F1123-F1185 HydrophobicContact CZ-CE2 4.04Å; F1123-F1185 AromaticContact CZ-CZ 3.22Å; F1123-F1185 HydrophobicContact CZ-CZ 3.22Å |
| 1124 | D | 75.9 | Confident | 64.7 | Low | 35 Ų | 35 | 60.1 Ų | 60.1 | 19% | 0.187 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 44.5 | -176.9 | -157.2 | 5.1 | 0 | 0 | 0 | 115.1 | Q1033 E1120 H1126 Y1137 | Q1033-D1124 PolarHBondContact NE2-OD2 3.42Å; Q1033-D1124 PolarHBondContact OE1-OD1 3.15Å; Q1033-D1124 PolarHBondContact OE1-OD2 2.91Å; E1120-D1124 PolarHBondContact O-N 3.49Å; D1124-H1126 VanDerWaalsContact C-N 3.31Å; D1124-H1126 PolarHBondContact O-N 3.2Å; D1124-Y1137 WeakPolarHBondContact OD2-CD2 3.18Å |
| 1125 | L | 76.7 | Confident | 62.3 | Low | 21 Ų | 21 | 60.9 Ų | 60.9 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -78.1 | -8.3 | -170 | -56.4 | 176 | 0 | 0 | 0 | 115 | E1120 F1123 K1127 S1128 V1181 H1184 | E1120-L1125 HydrophobicContact CG-CB 3.95Å; E1120-L1125 HydrophobicContact CG-CD1 4.39Å; E1120-L1125 HydrophobicContact CG-CG 4.46Å; E1120-L1125 PolarHBondContact O-N 3.32Å; F1123-L1125 HydrophobicContact CB-CD1 4.04Å; F1123-L1125 HydrophobicContact CB-CD2 3.89Å; F1123-L1125 HydrophobicContact CB-CG 3.68Å; F1123-L1125 PolarHBondContact O-N 3.17Å; L1125-K1127 VanDerWaalsContact C-N 3.31Å; L1125-K1127 PolarHBondContact O-N 3.2Å; L1125-S1128 PolarHBondContact O-OG 3.17Å; L1125-V1181 HydrophobicContact CD1-CB 4.42Å; L1125-V1181 HydrophobicContact CD1-CG2 3.83Å; L1125-H1184 HydrophobicContact CD1-CB 4.19Å; L1125-H1184 HydrophobicContact CD2-CB 4.01Å |
| 1126 | H | 64.6 | Low | 60.4 | Low | 99 Ų | 99 | 68 Ų | 68 | 46% | 0.458 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -71.7 | -11.4 | -170.6 | -79.6 | -61.3 | 0 | 0 | 0 | 115.8 | E1120 Q1121 D1124 | E1120-H1126 IonicContact OE1-CE1 2.84Å; E1120-H1126 PolarHBondContact OE1-CE1 3.03Å; E1120-H1126 IonicContact OE1-ND1 3.98Å; E1120-H1126 PolarHBondContact OE1-ND1 3.29Å; E1120-H1126 IonicContact OE1-NE2 3.7Å; E1120-H1126 IonicContact OE2-CE1 3.69Å; E1120-H1126 PolarHBondContact OE2-CE1 3.34Å; E1120-H1126 IonicContact OE2-NE2 3.63Å; E1120-H1126 PolarHBondContact OE2-NE2 2.86Å; Q1121-H1126 PolarHBondContact NE2-CD2 3Å; Q1121-H1126 PolarHBondContact NE2-NE2 3.33Å; Q1121-H1126 VanDerWaalsContact NE2-NE2 3.13Å; D1124-H1126 VanDerWaalsContact C-N 3.31Å; D1124-H1126 PolarHBondContact O-N 3.2Å |
| 1127 | K | 54.7 | Low | 58.6 | Low | 116 Ų | 116 | 71.8 Ų | 71.8 | 50% | 0.504 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -93.5 | 8.8 | -175 | -78.8 | -179 | 180 | 168.6 | 0 | 116 | L1125 T1129 Y1137 | L1125-K1127 VanDerWaalsContact C-N 3.31Å; L1125-K1127 PolarHBondContact O-N 3.2Å; K1127-T1129 VanDerWaalsContact C-N 3.35Å; K1127-T1129 PolarHBondContact O-N 3.08Å; K1127-Y1137 HydrophobicContact CD-CE2 4.47Å; K1127-Y1137 PolarHBondContact NZ-OH 3.02Å |
| 1128 | S | 43.7 | Very low | 57.4 | Low | 102 Ų | 102 | 70 Ų | 70 | 71% | 0.713 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 2.6 | -169.6 | 49.8 | 0 | 0 | 0 | 0 | 116.5 | L1125 | L1125-S1128 PolarHBondContact O-OG 3.17Š|
| 1129 | T | 38.4 | Very low | 56.8 | Low | 128 Ų | 128 | 70.8 Ų | 70.8 | 79% | 0.785 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 4.9 | -173.2 | 46.3 | 0 | 0 | 0 | 0 | 116.4 | K1127 | K1127-T1129 VanDerWaalsContact C-N 3.35Å; K1127-T1129 PolarHBondContact O-N 3.08Å |
| 1130 | S | 29.8 | Very low | 56.1 | Low | 91 Ų | 91 | 72.5 Ų | 72.5 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -143.6 | 113.7 | 176.6 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1131 | S | 29.4 | Very low | 55.6 | Low | 98 Ų | 98 | 72.7 Ų | 72.7 | 69% | 0.685 | 43% | 0.427 | S | S | * | . | trans | 56.2 | 98 | 160.9 | 59.1 | 0 | 0 | 0 | 0 | 119.3 | S1133 | S1131-S1133 PolarHBondContact O-N 3.39Š| ||
| 1132 | S | 28.9 | Very low | 55 | Low | 135 Ų | 135 | 73.3 Ų | 73.3 | 94% | 0.944 | 43% | 0.433 | S | S | * | . | S | Bend | trans | 22.3 | 49.9 | 135 | 68.1 | 0 | 0 | 0 | 0 | 121.4 | ||
| 1133 | S | 31.4 | Very low | 55 | Low | 96 Ų | 96 | 73.5 Ų | 73.5 | 67% | 0.671 | 43% | 0.434 | S | S | * | . | trans | -139.4 | 111.2 | 158.5 | 60.4 | 0 | 0 | 0 | 0 | 109.4 | S1131 S1135 | S1131-S1133 PolarHBondContact O-N 3.39Å; S1133-S1135 VanDerWaalsContact C-N 3.31Å; S1133-S1135 PolarHBondContact O-N 3.03Å | ||
| 1134 | D | 31.7 | Very low | 55 | Low | 179 Ų | 179 | 72.8 Ų | 72.8 | 96% | 0.957 | 43% | 0.431 | S | S | * | . | trans | -57.3 | 90.4 | 172.1 | -81.1 | -37.7 | 0 | 0 | 0 | 109.7 | ||||
| 1135 | S | 36.6 | Very low | 55.3 | Low | 58 Ų | 58 | 71.2 Ų | 71.2 | 41% | 0.406 | 42% | 0.422 | S | S | . | . | trans | -85.3 | 120.1 | 172.2 | 60.7 | 0 | 0 | 0 | 0 | 109.6 | S1133 Y1137 | S1133-S1135 VanDerWaalsContact C-N 3.31Å; S1133-S1135 PolarHBondContact O-N 3.03Å; S1135-Y1137 VanDerWaalsContact C-N 3.26Å; S1135-Y1137 PolarHBondContact O-N 3.16Å; S1135-Y1137 WeakPolarHBondContact OG-CE2 3.46Å | ||
| 1136 | D | 48.5 | Very low | 55.6 | Low | 149 Ų | 149 | 70.4 Ų | 70.4 | 80% | 0.797 | 42% | 0.418 | S | S | * | . | trans | -76.6 | 53.4 | -164.5 | -142.9 | 10.3 | 0 | 0 | 0 | 114 | ||||
| 1137 | Y | 51.2 | Low | 56.5 | Low | 82 Ų | 82 | 71.7 Ų | 71.7 | 32% | 0.322 | 42% | 0.423 | S | S | . | . | trans | -83.9 | 132.4 | 173.1 | -56.8 | -71.2 | 0 | 0 | 0 | 109.7 | H846 D1124 K1127 S1135 K1189 | H846-Y1137 AromaticContact CE1-CE1 3.91Å; D1124-Y1137 WeakPolarHBondContact OD2-CD2 3.18Å; K1127-Y1137 HydrophobicContact CD-CE2 4.47Å; K1127-Y1137 PolarHBondContact NZ-OH 3.02Å; S1135-Y1137 VanDerWaalsContact C-N 3.26Å; S1135-Y1137 PolarHBondContact O-N 3.16Å; S1135-Y1137 WeakPolarHBondContact OG-CE2 3.46Å; Y1137-K1189 PolarHBondContact O-NZ 3.38Å | ||
| 1138 | G | 62.8 | Low | 58.1 | Low | 20 Ų | 20 | 66.2 Ų | 66.2 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | trans | -113.5 | 161.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1140 E1193 | G1138-D1140 PolarHBondContact O-N 3.34Å; G1138-E1193 VanDerWaalsContact CA-OE2 3.27Å; G1138-E1193 WeakPolarHBondContact CA-OE2 3.48Å | ||
| 1139 | I | 73.5 | Confident | 60.3 | Low | 17 Ų | 17 | 61.3 Ų | 61.3 | 9% | 0.087 | 37% | 0.365 | C | S | . | . | trans | -57.2 | 130.3 | -174 | -56.9 | 161.7 | 0 | 0 | 0 | 111.3 | I1122 F1123 L1141 C1190 E1193 L1194 | I1122-I1139 HydrophobicContact CG2-CG2 4.01Å; F1123-I1139 HydrophobicContact CD1-CD1 4.29Å; F1123-I1139 HydrophobicContact CD1-CG1 3.8Å; F1123-I1139 HydrophobicContact CD1-CG2 4.14Å; F1123-I1139 HydrophobicContact CE1-CD1 3.95Å; F1123-I1139 HydrophobicContact CE1-CG1 3.88Å; F1123-I1139 HydrophobicContact CE1-CG2 3.83Å; I1139-L1141 VanDerWaalsContact C-N 3.34Å; I1139-L1141 HydrophobicContact CB-CD2 4.38Å; I1139-L1141 HydrophobicContact CB-CG 4.31Å; I1139-L1141 HydrophobicContact CG2-CD2 3.53Å; I1139-L1141 HydrophobicContact CG2-CG 3.89Å; I1139-L1141 PolarHBondContact O-N 3.47Å; I1139-C1190 HydrophobicContact CD1-CB 4.45Å; I1139-E1193 HydrophobicContact CD1-CB 3.81Å; I1139-E1193 WeakPolarHBondContact CG1-OE2 3.37Å; I1139-E1193 PolarHBondContact N-OE2 3.43Å; I1139-L1194 HydrophobicContact CD1-CD2 4.41Å; I1139-L1194 HydrophobicContact CD1-CG 4.25Å | ||
| 1140 | D | 72.7 | Confident | 62.7 | Low | 37 Ų | 37 | 56.5 Ų | 56.5 | 20% | 0.198 | 33% | 0.334 | C | S | . | . | trans | -81.8 | 77.8 | 174.2 | -168.6 | -6 | 0 | 0 | 0 | 112.1 | R1036 I1122 G1138 V1142 M1143 | R1036-D1140 IonicContact CZ-OD2 3.09Å; R1036-D1140 IonicContact NH1-OD2 2.71Å; R1036-D1140 PolarHBondContact NH1-OD2 3.35Å; I1122-D1140 PolarHBondContact O-N 3.31Å; G1138-D1140 PolarHBondContact O-N 3.34Å; D1140-V1142 PolarHBondContact O-N 3.19Å; D1140-V1142 WeakPolarHBondContact OD1-CB 3.49Å; D1140-V1142 PolarHBondContact OD1-N 3.03Å; D1140-V1142 VanDerWaalsContact OD1-N 3.14Å; D1140-M1143 WeakPolarHBondContact O-CB 3.48Å; D1140-M1143 PolarHBondContact O-N 3.4Å; D1140-M1143 VanDerWaalsContact O-N 3.13Å | ||
| 1141 | L | 74.7 | Confident | 65.5 | Low | 19 Ų | 19 | 52.8 Ų | 52.8 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -6.7 | 178.4 | -62.6 | 177.1 | 0 | 0 | 0 | 114.2 | I1139 M1143 L1144 P1146 I1149 L1194 | I1139-L1141 VanDerWaalsContact C-N 3.34Å; I1139-L1141 HydrophobicContact CB-CD2 4.38Å; I1139-L1141 HydrophobicContact CB-CG 4.31Å; I1139-L1141 HydrophobicContact CG2-CD2 3.53Å; I1139-L1141 HydrophobicContact CG2-CG 3.89Å; I1139-L1141 PolarHBondContact O-N 3.47Å; L1141-M1143 VanDerWaalsContact C-N 3.33Å; L1141-L1144 WeakPolarHBondContact CA-O 3.36Å; L1141-L1144 CarbonylContact O-C 3.56Å; L1141-P1146 HydrophobicContact CD2-CG 4.2Å; L1141-I1149 HydrophobicContact CD2-CD1 4.21Å; L1141-L1194 HydrophobicContact CD2-CD2 3.96Å |
| 1142 | V | 70.8 | Confident | 68.5 | Low | 40 Ų | 40 | 48.1 Ų | 48.1 | 24% | 0.242 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -31.8 | 171.5 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | I842 G1082 W1083 D1140 | I842-V1142 HydrophobicContact CD1-CG1 3.83Å; I842-V1142 HydrophobicContact CG1-CG1 4.03Å; I842-V1142 HydrophobicContact CG1-CG2 4.39Å; G1082-V1142 CarbonylContact C-O 2.99Å; G1082-V1142 VanDerWaalsContact CA-O 3.29Å; G1082-V1142 WeakPolarHBondContact CA-O 3.35Å; W1083-V1142 PolarHBondContact N-O 2.86Å; D1140-V1142 PolarHBondContact O-N 3.19Å; D1140-V1142 WeakPolarHBondContact OD1-CB 3.49Å; D1140-V1142 PolarHBondContact OD1-N 3.03Å; D1140-V1142 VanDerWaalsContact OD1-N 3.14Å |
| 1143 | M | 77.8 | Confident | 71.5 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 3% | 0.034 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -42 | 178.4 | -171.8 | 53.7 | 66 | 0 | 0 | 112.1 | I1029 G1082 W1083 L1084 I1122 D1140 L1141 | I1029-M1143 HydrophobicContact CG2-CE 3.5Å; I1029-M1143 VanDerWaalsContact CG2-CE 3.5Å; G1082-M1143 CarbonylContact C-O 3.58Å; W1083-M1143 HydrophobicContact CB-SD 3.85Å; W1083-M1143 HydrophobicContact CD2-SD 3.97Å; W1083-M1143 HydrophobicContact CE3-CE 4.09Å; W1083-M1143 HydrophobicContact CE3-SD 3.28Å; W1083-M1143 HydrophobicContact CG-SD 4.22Å; W1083-M1143 HydrophobicContact CZ3-SD 4.11Å; W1083-M1143 PolarHBondContact N-O 2.95Å; L1084-M1143 HydrophobicContact CD1-CG 4.09Å; L1084-M1143 HydrophobicContact CD1-SD 3.94Å; L1084-M1143 HydrophobicContact CG-SD 4.01Å; L1084-M1143 PolarHBondContact N-O 2.55Å; I1122-M1143 HydrophobicContact CD1-CB 4.24Å; I1122-M1143 HydrophobicContact CD1-CG 3.81Å; I1122-M1143 HydrophobicContact CG1-CB 4.03Å; I1122-M1143 HydrophobicContact CG1-CG 3.78Å; D1140-M1143 WeakPolarHBondContact O-CB 3.48Å; D1140-M1143 PolarHBondContact O-N 3.4Å; D1140-M1143 VanDerWaalsContact O-N 3.13Å; L1141-M1143 VanDerWaalsContact C-N 3.33Å |
| 1144 | L | 82 | Confident | 74.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -149.4 | 117 | -179.2 | -167.9 | 68.2 | 0 | 0 | 0 | 108.5 | L1084 D1085 F1088 L1119 I1122 L1141 I1149 A1152 | L1084-L1144 HydrophobicContact CB-CD1 3.85Å; D1085-L1144 WeakPolarHBondContact OD1-CD1 3.19Å; F1088-L1144 HydrophobicContact CD2-CD1 3.51Å; F1088-L1144 HydrophobicContact CD2-CD2 4.45Å; F1088-L1144 HydrophobicContact CE2-CD1 3.68Å; F1088-L1144 HydrophobicContact CE2-CD2 4.12Å; L1119-L1144 HydrophobicContact CD2-CD2 3.62Å; I1122-L1144 HydrophobicContact CD1-CB 3.69Å; I1122-L1144 HydrophobicContact CD1-CD2 4.08Å; L1141-L1144 WeakPolarHBondContact CA-O 3.36Å; L1141-L1144 CarbonylContact O-C 3.56Å; L1144-I1149 HydrophobicContact CB-CG1 4.5Å; L1144-I1149 HydrophobicContact CD2-CB 4.39Å; L1144-I1149 HydrophobicContact CD2-CG1 3.7Å; L1144-I1149 HydrophobicContact CG-CG1 3.95Å; L1144-A1152 HydrophobicContact CD2-CB 4.43Å |
| 1145 | S | 82 | Confident | 77 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | trans | -69.8 | 167 | 179.2 | 83.5 | 0 | 0 | 0 | 0 | 110.4 | D1085 K1147 G1148 I1149 | D1085-S1145 PolarHBondContact OD1-N 2.96Å; D1085-S1145 WeakPolarHBondContact OD2-CB 3.37Å; D1085-S1145 PolarHBondContact OD2-OG 2.97Å; S1145-K1147 PolarHBondContact O-N 2.87Å; S1145-K1147 PolarHBondContact OG-N 2.73Å; S1145-G1148 CarbonylContact O-C 3.53Å; S1145-G1148 WeakPolarHBondContact O-CA 3.42Å; S1145-G1148 PolarHBondContact O-N 3.25Å; S1145-G1148 PolarHBondContact OG-N 2.85Å; S1145-G1148 VanDerWaalsContact OG-N 3.15Å; S1145-I1149 WeakPolarHBondContact O-CG1 3.4Å; S1145-I1149 PolarHBondContact O-N 3.21Å | ||
| 1146 | P | 83.3 | Confident | 79.5 | Confident | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.6 | -33.3 | 171.7 | -26.9 | 37 | 0 | 0 | 0 | 113.5 | L1141 L1150 L1194 W1199 L1207 I1211 | L1141-P1146 HydrophobicContact CD2-CG 4.2Å; P1146-L1150 PolarHBondContact O-N 3.38Å; P1146-L1150 VanDerWaalsContact O-N 3.15Å; P1146-L1194 HydrophobicContact CB-CD2 4.33Å; P1146-L1194 HydrophobicContact CG-CD2 4.05Å; P1146-W1199 HydrophobicContact CG-CB 4.27Å; P1146-L1207 HydrophobicContact CB-CD2 3.61Å; P1146-L1207 HydrophobicContact CB-CG 4.16Å; P1146-I1211 HydrophobicContact CB-CD1 4.12Å; P1146-I1211 WeakPolarHBondContact O-CD1 3.47Å |
| 1147 | K | 82.6 | Confident | 81.4 | Confident | 126 Ų | 126 | 22.6 Ų | 22.6 | 55% | 0.548 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -68.8 | -43.1 | 172.4 | -70.3 | -174.6 | 175.9 | -177.2 | 0 | 111.8 | S1145 I1149 L1150 S1151 L1207 | S1145-K1147 PolarHBondContact O-N 2.87Å; S1145-K1147 PolarHBondContact OG-N 2.73Å; K1147-I1149 VanDerWaalsContact C-N 3.3Å; K1147-I1149 PolarHBondContact O-N 3Å; K1147-L1150 WeakPolarHBondContact O-CB 2.81Å; K1147-L1150 PolarHBondContact O-N 2.98Å; K1147-S1151 PolarHBondContact O-N 3.27Å; K1147-S1151 PolarHBondContact O-OG 2.92Å; K1147-L1207 HydrophobicContact CG-CD1 4.29Å; K1147-L1207 HydrophobicContact CG-CD2 4.02Å |
| 1148 | G | 87.6 | Confident | 83 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.6 | -38.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1085 S1145 S1151 A1152 | D1085-G1148 WeakPolarHBondContact OD1-CA 3.44Å; S1145-G1148 CarbonylContact O-C 3.53Å; S1145-G1148 WeakPolarHBondContact O-CA 3.42Å; S1145-G1148 PolarHBondContact O-N 3.25Å; S1145-G1148 PolarHBondContact OG-N 2.85Å; S1145-G1148 VanDerWaalsContact OG-N 3.15Å; G1148-S1151 PolarHBondContact O-N 3.45Å; G1148-A1152 WeakPolarHBondContact O-CB 3.46Å; G1148-A1152 PolarHBondContact O-N 3.23Å |
| 1149 | I | 89.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.2 | -49.3 | 173.5 | -71.6 | 169.2 | 0 | 0 | 0 | 110 | F1123 L1141 L1144 S1145 K1147 S1151 A1152 L1153 F1185 L1194 I1211 | F1123-I1149 HydrophobicContact CZ-CD1 4.11Å; L1141-I1149 HydrophobicContact CD2-CD1 4.21Å; L1144-I1149 HydrophobicContact CB-CG1 4.5Å; L1144-I1149 HydrophobicContact CD2-CB 4.39Å; L1144-I1149 HydrophobicContact CD2-CG1 3.7Å; L1144-I1149 HydrophobicContact CG-CG1 3.95Å; S1145-I1149 WeakPolarHBondContact O-CG1 3.4Å; S1145-I1149 PolarHBondContact O-N 3.21Å; K1147-I1149 VanDerWaalsContact C-N 3.3Å; K1147-I1149 PolarHBondContact O-N 3Å; I1149-S1151 VanDerWaalsContact C-N 3.31Å; I1149-S1151 PolarHBondContact O-N 3.22Å; I1149-A1152 PolarHBondContact O-N 3.04Å; I1149-L1153 HydrophobicContact CG2-CD1 4.03Å; I1149-L1153 HydrophobicContact CG2-CG 4.47Å; I1149-L1153 WeakPolarHBondContact O-CG 3.47Å; I1149-L1153 PolarHBondContact O-N 2.88Å; I1149-F1185 HydrophobicContact CD1-CE1 4.42Å; I1149-F1185 HydrophobicContact CG2-CE1 3.61Å; I1149-F1185 HydrophobicContact CG2-CZ 3.41Å; I1149-F1185 VanDerWaalsContact CG2-CZ 3.41Å; I1149-L1194 HydrophobicContact CD1-CD2 4.27Å; I1149-I1211 HydrophobicContact CG2-CD1 4.23Å; I1149-I1211 HydrophobicContact CG2-CG1 4.3Å; I1149-I1211 HydrophobicContact CG2-CG2 4.06Å |
| 1150 | L | 89.7 | Confident | 84.7 | Confident | 27 Ų | 27 | 19.4 Ų | 19.4 | 14% | 0.141 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.4 | -43.9 | 178 | -178.9 | 60.2 | 0 | 0 | 0 | 111.5 | P1146 K1147 A1152 L1153 N1154 L1207 D1210 I1211 | P1146-L1150 PolarHBondContact O-N 3.38Å; P1146-L1150 VanDerWaalsContact O-N 3.15Å; K1147-L1150 WeakPolarHBondContact O-CB 2.81Å; K1147-L1150 PolarHBondContact O-N 2.98Å; L1150-A1152 PolarHBondContact O-N 3.13Å; L1150-L1153 PolarHBondContact O-N 3.21Å; L1150-N1154 WeakPolarHBondContact O-CB 3.43Å; L1150-N1154 PolarHBondContact O-N 3.43Å; L1150-N1154 PolarHBondContact O-ND2 3.34Å; L1150-L1207 HydrophobicContact CD2-CD1 4Å; L1150-D1210 HydrophobicContact CD1-CB 3.99Å; L1150-D1210 HydrophobicContact CD2-CB 3.77Å; L1150-I1211 HydrophobicContact CB-CG1 4.11Å; L1150-I1211 HydrophobicContact CD1-CG1 4.48Å |
| 1151 | S | 89.2 | Confident | 85.2 | Confident | 13 Ų | 13 | 20.5 Ų | 20.5 | 9% | 0.091 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -38.4 | 176.9 | -58.5 | 0 | 0 | 0 | 0 | 113.1 | N1089 K1147 G1148 I1149 N1154 L1155 | N1089-S1151 WeakPolarHBondContact OD1-CB 3.09Å; N1089-S1151 PolarHBondContact OD1-OG 3.49Å; K1147-S1151 PolarHBondContact O-N 3.27Å; K1147-S1151 PolarHBondContact O-OG 2.92Å; G1148-S1151 PolarHBondContact O-N 3.45Å; I1149-S1151 VanDerWaalsContact C-N 3.31Å; I1149-S1151 PolarHBondContact O-N 3.22Å; S1151-N1154 PolarHBondContact O-N 3.14Å; S1151-L1155 WeakPolarHBondContact O-CB 3.3Å; S1151-L1155 PolarHBondContact O-N 2.94Å |
| 1152 | A | 91.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1088 I1115 L1144 G1148 I1149 L1150 L1155 A1156 | F1088-A1152 HydrophobicContact CB-CB 4.42Å; F1088-A1152 HydrophobicContact CD1-CB 3.91Å; F1088-A1152 HydrophobicContact CD2-CB 3.99Å; F1088-A1152 HydrophobicContact CE1-CB 4.15Å; F1088-A1152 HydrophobicContact CE2-CB 4.17Å; F1088-A1152 HydrophobicContact CG-CB 3.84Å; F1088-A1152 HydrophobicContact CZ-CB 4.25Å; I1115-A1152 HydrophobicContact CG2-CB 4.45Å; L1144-A1152 HydrophobicContact CD2-CB 4.43Å; G1148-A1152 WeakPolarHBondContact O-CB 3.46Å; G1148-A1152 PolarHBondContact O-N 3.23Å; I1149-A1152 PolarHBondContact O-N 3.04Å; L1150-A1152 PolarHBondContact O-N 3.13Å; A1152-L1155 PolarHBondContact O-N 3.49Å; A1152-A1156 PolarHBondContact O-N 2.87Å |
| 1153 | L | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.4 | -42.3 | 175.9 | -66.5 | 171 | 0 | 0 | 0 | 111.7 | W1116 I1149 L1150 A1156 A1157 L1182 F1185 I1211 C1215 L1218 | W1116-L1153 HydrophobicContact CH2-CD2 4.16Å; W1116-L1153 HydrophobicContact CZ3-CD2 4.24Å; I1149-L1153 HydrophobicContact CG2-CD1 4.03Å; I1149-L1153 HydrophobicContact CG2-CG 4.47Å; I1149-L1153 WeakPolarHBondContact O-CG 3.47Å; I1149-L1153 PolarHBondContact O-N 2.88Å; L1150-L1153 PolarHBondContact O-N 3.21Å; L1153-A1156 PolarHBondContact O-N 3.05Å; L1153-A1157 WeakPolarHBondContact O-CB 3.02Å; L1153-A1157 PolarHBondContact O-N 3.49Å; L1153-L1182 HydrophobicContact CD2-CD2 3.95Å; L1153-F1185 HydrophobicContact CD2-CE2 4.43Å; L1153-I1211 HydrophobicContact CD1-CG2 3.88Å; L1153-C1215 WeakPolarHBondContact CD1-SG 3.47Å; L1153-L1218 HydrophobicContact CB-CD1 4.24Å; L1153-L1218 HydrophobicContact CD2-CD1 3.8Å |
| 1154 | N | 89.6 | Confident | 86.2 | Confident | 44 Ų | 44 | 29.7 Ų | 29.7 | 24% | 0.235 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 176.9 | -70.6 | -20.4 | 0 | 0 | 0 | 111.9 | L1150 S1151 A1157 T1158 S1214 | L1150-N1154 WeakPolarHBondContact O-CB 3.43Å; L1150-N1154 PolarHBondContact O-N 3.43Å; L1150-N1154 PolarHBondContact O-ND2 3.34Å; S1151-N1154 PolarHBondContact O-N 3.14Å; N1154-A1157 PolarHBondContact O-N 2.87Å; N1154-T1158 WeakPolarHBondContact O-CB 3.34Å; N1154-T1158 PolarHBondContact O-N 3.02Å; N1154-T1158 PolarHBondContact O-OG1 3.3Å; N1154-S1214 PolarHBondContact OD1-OG 3.43Å; N1154-S1214 VanDerWaalsContact OD1-OG 3.1Å |
| 1155 | L | 89.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 172.8 | 179.9 | 65.6 | 0 | 0 | 0 | 111 | F1088 A1091 F1106 I1115 S1151 A1152 A1157 T1158 I1159 | F1088-L1155 HydrophobicContact CD1-CD2 3.93Å; A1091-L1155 HydrophobicContact CB-CD1 3.9Å; A1091-L1155 HydrophobicContact CB-CD2 3.61Å; A1091-L1155 HydrophobicContact CB-CG 4.39Å; F1106-L1155 HydrophobicContact CZ-CD1 4.35Å; I1115-L1155 HydrophobicContact CD1-CD2 3.94Å; I1115-L1155 HydrophobicContact CD1-CG 4.26Å; S1151-L1155 WeakPolarHBondContact O-CB 3.3Å; S1151-L1155 PolarHBondContact O-N 2.94Å; A1152-L1155 PolarHBondContact O-N 3.49Å; L1155-A1157 PolarHBondContact O-N 3.3Å; L1155-T1158 PolarHBondContact O-N 2.98Å; L1155-I1159 HydrophobicContact CD1-CD1 4.4Å; L1155-I1159 HydrophobicContact CG-CD1 4.05Å; L1155-I1159 WeakPolarHBondContact O-CG1 3.14Å; L1155-I1159 PolarHBondContact O-N 2.89Å |
| 1156 | A | 89.5 | Confident | 86.4 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | W1116 A1152 L1153 T1158 I1159 F1160 L1218 | W1116-A1156 HydrophobicContact CH2-CB 4.15Å; W1116-A1156 HydrophobicContact CZ2-CB 3.72Å; A1152-A1156 PolarHBondContact O-N 2.87Å; L1153-A1156 PolarHBondContact O-N 3.05Å; A1156-T1158 VanDerWaalsContact C-N 3.28Å; A1156-T1158 PolarHBondContact O-N 3.33Å; A1156-I1159 PolarHBondContact O-N 2.97Å; A1156-F1160 HydrophobicContact CB-CE2 4.33Å; A1156-F1160 WeakPolarHBondContact O-CD2 3.25Å; A1156-F1160 WeakPolarHBondContact O-CG 3.33Å; A1156-F1160 PolarHBondContact O-N 3.31Å; A1156-L1218 HydrophobicContact CB-CD2 4.37Å |
| 1157 | A | 88 | Confident | 86.5 | Confident | 35 Ų | 35 | 38.1 Ų | 38.1 | 29% | 0.289 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.8 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1153 N1154 L1155 F1160 S1161 L1218 | L1153-A1157 WeakPolarHBondContact O-CB 3.02Å; L1153-A1157 PolarHBondContact O-N 3.49Å; N1154-A1157 PolarHBondContact O-N 2.87Å; L1155-A1157 PolarHBondContact O-N 3.3Å; A1157-F1160 PolarHBondContact O-N 2.98Å; A1157-S1161 WeakPolarHBondContact O-CB 3.31Å; A1157-S1161 PolarHBondContact O-N 3.12Å; A1157-L1218 HydrophobicContact CB-CD2 3.87Å; A1157-L1218 HydrophobicContact CB-CG 4.32Å |
| 1158 | T | 85.6 | Confident | 86.6 | Confident | 43 Ų | 43 | 32.4 Ų | 32.4 | 26% | 0.264 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.2 | -44.2 | 177.2 | -48.4 | 0 | 0 | 0 | 0 | 111.4 | C1095 W1103 N1154 L1155 A1156 F1160 S1161 | C1095-T1158 HydrophobicContact CB-CG2 4.41Å; W1103-T1158 HydrophobicContact CH2-CG2 3.5Å; W1103-T1158 VanDerWaalsContact CH2-CG2 3.5Å; W1103-T1158 HydrophobicContact CZ2-CG2 4.18Å; W1103-T1158 HydrophobicContact CZ3-CG2 4.41Å; N1154-T1158 WeakPolarHBondContact O-CB 3.34Å; N1154-T1158 PolarHBondContact O-N 3.02Å; N1154-T1158 PolarHBondContact O-OG1 3.3Å; L1155-T1158 PolarHBondContact O-N 2.98Å; A1156-T1158 VanDerWaalsContact C-N 3.28Å; A1156-T1158 PolarHBondContact O-N 3.33Å; T1158-F1160 PolarHBondContact O-N 3.45Å; T1158-S1161 PolarHBondContact O-N 2.86Å; T1158-S1161 PolarHBondContact O-OG 3.29Å |
| 1159 | I | 85.2 | Confident | 86.4 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 4% | 0.036 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.2 | -48.5 | 175.5 | -68.1 | 165.5 | 0 | 0 | 0 | 110.5 | W1103 F1106 I1115 L1155 A1156 S1161 K1162 K1163 L1166 | W1103-I1159 HydrophobicContact CE3-CG1 4.45Å; W1103-I1159 HydrophobicContact CZ3-CB 4.44Å; W1103-I1159 HydrophobicContact CZ3-CG1 3.88Å; F1106-I1159 HydrophobicContact CD1-CD1 4.49Å; I1115-I1159 HydrophobicContact CD1-CD1 4.06Å; L1155-I1159 HydrophobicContact CD1-CD1 4.4Å; L1155-I1159 HydrophobicContact CG-CD1 4.05Å; L1155-I1159 WeakPolarHBondContact O-CG1 3.14Å; L1155-I1159 PolarHBondContact O-N 2.89Å; A1156-I1159 PolarHBondContact O-N 2.97Å; I1159-S1161 PolarHBondContact O-N 3.49Å; I1159-K1162 PolarHBondContact O-N 3.44Å; I1159-K1163 PolarHBondContact O-N 3.43Å; I1159-L1166 HydrophobicContact CG2-CD2 4.49Å |
| 1160 | F | 86.3 | Confident | 86.2 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.7 | -30.6 | -178 | -65.5 | -37.7 | 0 | 0 | 0 | 113.4 | W1116 A1156 A1157 T1158 K1162 K1163 P1164 L1166 C1167 M1178 L1218 F1221 | W1116-F1160 AromaticContact CZ2-CE2 3.94Å; W1116-F1160 HydrophobicContact CZ2-CE2 3.94Å; W1116-F1160 HydrophobicContact CZ2-CZ 4.43Å; W1116-F1160 AromaticContact NE1-CZ 3.82Å; A1156-F1160 HydrophobicContact CB-CE2 4.33Å; A1156-F1160 WeakPolarHBondContact O-CD2 3.25Å; A1156-F1160 WeakPolarHBondContact O-CG 3.33Å; A1156-F1160 PolarHBondContact O-N 3.31Å; A1157-F1160 PolarHBondContact O-N 2.98Å; T1158-F1160 PolarHBondContact O-N 3.45Å; F1160-K1162 PolarHBondContact O-N 3.45Å; F1160-K1162 VanDerWaalsContact O-N 3.15Å; F1160-K1163 CarbonylContact O-C 3.19Å; F1160-K1163 PolarHBondContact O-N 3.31Å; F1160-P1164 WeakPolarHBondContact O-CA 3.45Å; F1160-P1164 VanDerWaalsContact O-N 3.13Å; F1160-L1166 HydrophobicContact CD1-CB 4.37Å; F1160-L1166 HydrophobicContact CD1-CD2 4.43Å; F1160-L1166 HydrophobicContact CD1-CG 4.48Å; F1160-L1166 HydrophobicContact CE1-CB 4.36Å; F1160-L1166 HydrophobicContact CE1-CD2 4.11Å; F1160-L1166 HydrophobicContact CE1-CG 4.04Å; F1160-C1167 HydrophobicContact CB-CB 3.88Å; F1160-C1167 HydrophobicContact CD1-CB 3.64Å; F1160-C1167 HydrophobicContact CD2-CB 3.94Å; F1160-C1167 HydrophobicContact CE1-CB 4.1Å; F1160-C1167 HydrophobicContact CE2-CB 4.35Å; F1160-C1167 HydrophobicContact CG-CB 3.56Å; F1160-C1167 HydrophobicContact CZ-CB 4.42Å; F1160-M1178 HydrophobicContact CD2-CE 4.24Å; F1160-M1178 HydrophobicContact CE2-CE 3.55Å; F1160-M1178 HydrophobicContact CE2-SD 3.7Å; F1160-M1178 HydrophobicContact CZ-CE 4.34Å; F1160-M1178 HydrophobicContact CZ-SD 3.89Å; F1160-L1218 HydrophobicContact CD2-CD2 3.72Å; F1160-L1218 HydrophobicContact CE2-CD2 4.2Å; F1160-F1221 VanDerWaalsContact C-CZ 3.43Å; F1160-F1221 HydrophobicContact CB-CD1 4.18Å; F1160-F1221 HydrophobicContact CB-CE1 3.9Å; F1160-F1221 HydrophobicContact CB-CZ 4.39Å; F1160-F1221 WeakPolarHBondContact O-CE1 3.39Å; F1160-F1221 WeakPolarHBondContact O-CZ 3.04Å |
| 1161 | S | 83 | Confident | 86.1 | Confident | 60 Ų | 60 | 37.7 Ų | 37.7 | 42% | 0.42 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -55.6 | -31.3 | 172.2 | 80.7 | 0 | 0 | 0 | 0 | 113 | A1157 T1158 I1159 | A1157-S1161 WeakPolarHBondContact O-CB 3.31Å; A1157-S1161 PolarHBondContact O-N 3.12Å; T1158-S1161 PolarHBondContact O-N 2.86Å; T1158-S1161 PolarHBondContact O-OG 3.29Å; I1159-S1161 PolarHBondContact O-N 3.49Å |
| 1162 | K | 81.4 | Confident | 85.9 | Confident | 107 Ų | 107 | 39.2 Ų | 39.2 | 47% | 0.465 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -89.1 | -31.3 | 179.7 | -61.7 | -65.6 | -176.9 | 178.5 | 0 | 113.3 | W1103 I1159 F1160 | W1103-K1162 HydrophobicContact CD2-CB 4.32Å; W1103-K1162 HydrophobicContact CD2-CG 3.88Å; W1103-K1162 HydrophobicContact CE3-CG 4.29Å; W1103-K1162 HydrophobicContact CG-CG 4.35Å; W1103-K1162 HydrophobicContact CH2-CG 4.34Å; W1103-K1162 HydrophobicContact CZ2-CG 3.91Å; I1159-K1162 PolarHBondContact O-N 3.44Å; F1160-K1162 PolarHBondContact O-N 3.45Å; F1160-K1162 VanDerWaalsContact O-N 3.15Å |
| 1163 | K | 81.2 | Confident | 85.5 | Confident | 116 Ų | 116 | 42.9 Ų | 42.9 | 50% | 0.504 | 23% | 0.227 | S | C | . | . | trans | -131 | 76.3 | 178.7 | -71.6 | -71.5 | -173.7 | 173.1 | 0 | 110.8 | L1107 I1159 F1160 K1165 L1166 | L1107-K1163 HydrophobicContact CD1-CG 4.3Å; I1159-K1163 PolarHBondContact O-N 3.43Å; F1160-K1163 CarbonylContact O-C 3.19Å; F1160-K1163 PolarHBondContact O-N 3.31Å; K1163-K1165 VanDerWaalsContact C-N 3.27Å; K1163-K1165 PolarHBondContact O-N 3.44Å; K1163-L1166 HydrophobicContact CB-CB 4.31Å; K1163-L1166 WeakPolarHBondContact O-CB 3.44Å; K1163-L1166 PolarHBondContact O-N 3.29Å; K1163-L1166 VanDerWaalsContact O-N 3.1Å | ||
| 1164 | P | 81.9 | Confident | 84.5 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 23% | 0.234 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.6 | -32.8 | -172.4 | -23.7 | 31.9 | 0 | 0 | 0 | 114.9 | F1160 L1166 C1167 I1168 F1221 N1225 | F1160-P1164 WeakPolarHBondContact O-CA 3.45Å; F1160-P1164 VanDerWaalsContact O-N 3.13Å; P1164-L1166 VanDerWaalsContact C-N 3.25Å; P1164-L1166 PolarHBondContact O-N 3.1Å; P1164-C1167 VanDerWaalsContact O-CB 3.32Å; P1164-C1167 WeakPolarHBondContact O-CB 3.29Å; P1164-C1167 PolarHBondContact O-N 3.27Å; P1164-C1167 VanDerWaalsContact O-N 3.13Å; P1164-I1168 PolarHBondContact O-N 3Å; P1164-F1221 HydrophobicContact CB-CE1 3.71Å; P1164-F1221 HydrophobicContact CB-CZ 3.94Å; P1164-F1221 HydrophobicContact CG-CE1 4.26Å; P1164-F1221 HydrophobicContact CG-CZ 3.97Å; P1164-N1225 HydrophobicContact CB-CB 3.8Å; P1164-N1225 HydrophobicContact CG-CB 4.34Å |
| 1165 | K | 82.9 | Confident | 83.8 | Confident | 150 Ų | 150 | 57.3 Ų | 57.3 | 65% | 0.652 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.2 | -35.8 | 177.3 | -66.4 | -169.5 | 175.7 | -168.9 | 0 | 113.1 | K1163 C1167 I1168 E1169 | K1163-K1165 VanDerWaalsContact C-N 3.27Å; K1163-K1165 PolarHBondContact O-N 3.44Å; K1165-C1167 VanDerWaalsContact C-N 3.28Å; K1165-C1167 PolarHBondContact O-N 3Å; K1165-I1168 PolarHBondContact O-N 3.39Å; K1165-E1169 WeakPolarHBondContact O-CG 3.21Å; K1165-E1169 PolarHBondContact O-N 2.76Å |
| 1166 | L | 84.3 | Confident | 83.6 | Confident | 34 Ų | 34 | 57.8 Ų | 57.8 | 18% | 0.178 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.5 | -36.4 | 179 | -173.7 | 67.3 | 0 | 0 | 0 | 111.7 | L1107 I1159 F1160 K1163 P1164 T1170 | L1107-L1166 HydrophobicContact CD2-CD2 3.9Å; I1159-L1166 HydrophobicContact CG2-CD2 4.49Å; F1160-L1166 HydrophobicContact CD1-CB 4.37Å; F1160-L1166 HydrophobicContact CD1-CD2 4.43Å; F1160-L1166 HydrophobicContact CD1-CG 4.48Å; F1160-L1166 HydrophobicContact CE1-CB 4.36Å; F1160-L1166 HydrophobicContact CE1-CD2 4.11Å; F1160-L1166 HydrophobicContact CE1-CG 4.04Å; K1163-L1166 HydrophobicContact CB-CB 4.31Å; K1163-L1166 WeakPolarHBondContact O-CB 3.44Å; K1163-L1166 PolarHBondContact O-N 3.29Å; K1163-L1166 VanDerWaalsContact O-N 3.1Å; P1164-L1166 VanDerWaalsContact C-N 3.25Å; P1164-L1166 PolarHBondContact O-N 3.1Å; L1166-T1170 WeakPolarHBondContact O-CB 3.42Å; L1166-T1170 PolarHBondContact O-N 2.93Å; L1166-T1170 PolarHBondContact O-OG1 2.9Å |
| 1167 | C | 86.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 175.9 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | F1160 P1164 K1165 T1170 L1171 F1221 | F1160-C1167 HydrophobicContact CB-CB 3.88Å; F1160-C1167 HydrophobicContact CD1-CB 3.64Å; F1160-C1167 HydrophobicContact CD2-CB 3.94Å; F1160-C1167 HydrophobicContact CE1-CB 4.1Å; F1160-C1167 HydrophobicContact CE2-CB 4.35Å; F1160-C1167 HydrophobicContact CG-CB 3.56Å; F1160-C1167 HydrophobicContact CZ-CB 4.42Å; P1164-C1167 VanDerWaalsContact O-CB 3.32Å; P1164-C1167 WeakPolarHBondContact O-CB 3.29Å; P1164-C1167 PolarHBondContact O-N 3.27Å; P1164-C1167 VanDerWaalsContact O-N 3.13Å; K1165-C1167 VanDerWaalsContact C-N 3.28Å; K1165-C1167 PolarHBondContact O-N 3Å; C1167-T1170 PolarHBondContact O-N 3.39Å; C1167-L1171 WeakPolarHBondContact O-CB 3.35Å; C1167-L1171 WeakPolarHBondContact O-CG 3.43Å; C1167-L1171 PolarHBondContact O-N 3.33Å; C1167-F1221 HydrophobicContact CB-CD1 4.13Å; C1167-F1221 HydrophobicContact CB-CE1 4.31Å |
| 1168 | I | 84.3 | Confident | 83.6 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.1 | -49 | 178.5 | -61.7 | 167.9 | 0 | 0 | 0 | 110.4 | P1164 K1165 T1170 L1171 L1172 P1222 A1226 Y1230 | P1164-I1168 PolarHBondContact O-N 3Å; K1165-I1168 PolarHBondContact O-N 3.39Å; I1168-T1170 VanDerWaalsContact C-N 3.32Å; I1168-T1170 PolarHBondContact O-N 3.45Å; I1168-L1171 PolarHBondContact O-N 3.11Å; I1168-L1172 HydrophobicContact CG2-CD1 3.65Å; I1168-L1172 HydrophobicContact CG2-CG 4.33Å; I1168-L1172 WeakPolarHBondContact O-CB 3.37Å; I1168-L1172 WeakPolarHBondContact O-CG 3.29Å; I1168-L1172 PolarHBondContact O-N 3.27Å; I1168-P1222 HydrophobicContact CG1-CB 3.97Å; I1168-P1222 HydrophobicContact CG1-CG 4.46Å; I1168-A1226 HydrophobicContact CD1-CB 3.71Å; I1168-A1226 HydrophobicContact CG1-CB 4.5Å; I1168-Y1230 HydrophobicContact CG2-CD1 3.31Å; I1168-Y1230 HydrophobicContact CG2-CE1 3.85Å; I1168-Y1230 HydrophobicContact CG2-CG 3.75Å |
| 1169 | E | 83.8 | Confident | 83.7 | Confident | 108 Ų | 108 | 57.1 Ų | 57.1 | 51% | 0.505 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.2 | -43 | 177.4 | -71.9 | 168 | -174.6 | 0 | 0 | 111.4 | K1165 L1172 C1173 | K1165-E1169 WeakPolarHBondContact O-CG 3.21Å; K1165-E1169 PolarHBondContact O-N 2.76Å; E1169-L1172 PolarHBondContact O-N 3.01Å; E1169-C1173 PolarHBondContact O-N 3.28Å; E1169-C1173 VanDerWaalsContact O-N 3.16Å; E1169-C1173 PolarHBondContact O-SG 3.02Å |
| 1170 | T | 85.7 | Confident | 83.9 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 17% | 0.172 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.5 | -39.3 | -179.6 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | L1166 C1167 I1168 S1176 M1178 | L1166-T1170 WeakPolarHBondContact O-CB 3.42Å; L1166-T1170 PolarHBondContact O-N 2.93Å; L1166-T1170 PolarHBondContact O-OG1 2.9Å; C1167-T1170 PolarHBondContact O-N 3.39Å; I1168-T1170 VanDerWaalsContact C-N 3.32Å; I1168-T1170 PolarHBondContact O-N 3.45Å; T1170-S1176 VanDerWaalsContact O-CB 3.25Å; T1170-S1176 WeakPolarHBondContact O-CB 3.38Å; T1170-S1176 PolarHBondContact O-OG 3.16Å; T1170-M1178 HydrophobicContact CG2-CB 3.75Å; T1170-M1178 HydrophobicContact CG2-CG 4.49Å; T1170-M1178 HydrophobicContact CG2-SD 3.97Å |
| 1171 | L | 86.6 | Confident | 84 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -74.3 | -34 | 179.5 | -74.8 | 164.3 | 0 | 0 | 0 | 113.2 | C1167 I1168 M1178 L1179 L1219 P1222 L1234 Y1238 | C1167-L1171 WeakPolarHBondContact O-CB 3.35Å; C1167-L1171 WeakPolarHBondContact O-CG 3.43Å; C1167-L1171 PolarHBondContact O-N 3.33Å; I1168-L1171 PolarHBondContact O-N 3.11Å; L1171-M1178 HydrophobicContact CD1-CE 4.29Å; L1171-M1178 HydrophobicContact CD2-CE 4.11Å; L1171-M1178 HydrophobicContact CD2-CG 4.03Å; L1171-M1178 HydrophobicContact CD2-SD 4.02Å; L1171-M1178 HydrophobicContact CG-CE 4.18Å; L1171-M1178 HydrophobicContact CG-SD 3.97Å; L1171-L1179 HydrophobicContact CD2-CB 4.38Å; L1171-L1179 HydrophobicContact CD2-CD1 4.48Å; L1171-L1219 HydrophobicContact CD2-CD2 4.22Å; L1171-P1222 HydrophobicContact CD1-CG 3.5Å; L1171-P1222 VanDerWaalsContact CD1-CG 3.5Å; L1171-L1234 HydrophobicContact CB-CD2 3.76Å; L1171-L1234 HydrophobicContact CD1-CD2 4.17Å; L1171-Y1238 WeakPolarHBondContact CD1-OH 3.24Å; L1171-Y1238 HydrophobicContact CD2-CE1 4.33Å |
| 1172 | L | 85.4 | Confident | 84.4 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -86.7 | -4.8 | -179.3 | -67.3 | 179.9 | 0 | 0 | 0 | 114 | I1168 E1169 N1174 Y1230 A1233 L1234 V1237 | I1168-L1172 HydrophobicContact CG2-CD1 3.65Å; I1168-L1172 HydrophobicContact CG2-CG 4.33Å; I1168-L1172 WeakPolarHBondContact O-CB 3.37Å; I1168-L1172 WeakPolarHBondContact O-CG 3.29Å; I1168-L1172 PolarHBondContact O-N 3.27Å; E1169-L1172 PolarHBondContact O-N 3.01Å; L1172-N1174 PolarHBondContact O-N 3.12Å; L1172-Y1230 HydrophobicContact CD1-CD1 3.62Å; L1172-Y1230 HydrophobicContact CD1-CE1 4.24Å; L1172-A1233 HydrophobicContact CD1-CB 4.04Å; L1172-A1233 HydrophobicContact CD2-CB 3.81Å; L1172-L1234 HydrophobicContact CD1-CG 4.47Å; L1172-L1234 HydrophobicContact CD2-CD2 3.77Å; L1172-L1234 HydrophobicContact CD2-CG 3.91Å; L1172-L1234 HydrophobicContact CG-CD2 3.93Å; L1172-L1234 HydrophobicContact CG-CG 4.22Å; L1172-V1237 HydrophobicContact CD2-CG2 3.95Å |
| 1173 | C | 84.4 | Confident | 84.7 | Confident | 77 Ų | 77 | 53.1 Ų | 53.1 | 52% | 0.52 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -61.6 | 135.8 | 172.1 | -80.4 | 0 | 0 | 0 | 0 | 110.5 | E1169 Q1175 S1176 | E1169-C1173 PolarHBondContact O-N 3.28Å; E1169-C1173 VanDerWaalsContact O-N 3.16Å; E1169-C1173 PolarHBondContact O-SG 3.02Å; C1173-Q1175 PolarHBondContact O-N 3.21Å; C1173-S1176 WeakPolarHBondContact O-CB 3.36Å; C1173-S1176 PolarHBondContact O-N 3.33Å |
| 1174 | N | 70.6 | Confident | 85.1 | Confident | 163 Ų | 163 | 49.4 Ų | 49.4 | 87% | 0.872 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 129.3 | 169.2 | -80.7 | -13.4 | 0 | 0 | 0 | 109.4 | L1172 | L1172-N1174 PolarHBondContact O-N 3.12Š|
| 1175 | Q | 75.2 | Confident | 85.5 | Confident | 185 Ų | 185 | 47.7 Ų | 47.7 | 86% | 0.864 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 43.9 | -173.7 | -56.4 | 179.5 | -19.4 | 0 | 0 | 113.1 | C1173 Q1177 | C1173-Q1175 PolarHBondContact O-N 3.21Å; Q1175-Q1177 PolarHBondContact O-N 3.34Å |
| 1176 | S | 84.9 | Confident | 85.7 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 7% | 0.07 | 21% | 0.211 | C | C | . | . | trans | -52.3 | 113.3 | 175.1 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | T1170 C1173 M1178 L1179 S1180 | T1170-S1176 VanDerWaalsContact O-CB 3.25Å; T1170-S1176 WeakPolarHBondContact O-CB 3.38Å; T1170-S1176 PolarHBondContact O-OG 3.16Å; C1173-S1176 WeakPolarHBondContact O-CB 3.36Å; C1173-S1176 PolarHBondContact O-N 3.33Å; S1176-M1178 VanDerWaalsContact C-N 3.27Å; S1176-M1178 PolarHBondContact O-N 3.42Å; S1176-L1179 PolarHBondContact O-N 3.01Å; S1176-L1179 PolarHBondContact OG-N 3.14Å; S1176-S1180 PolarHBondContact O-N 3.26Å | ||
| 1177 | Q | 85.9 | Confident | 85.7 | Confident | 59 Ų | 59 | 40.2 Ų | 40.2 | 28% | 0.276 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.7 | -40.6 | 174.7 | -59.6 | 178 | -58.9 | 0 | 0 | 110.9 | W1116 E1120 Q1175 L1179 S1180 V1181 | W1116-Q1177 HydrophobicContact CB-CB 4.18Å; E1120-Q1177 VanDerWaalsContact OE2-CD 3.28Å; E1120-Q1177 VanDerWaalsContact OE2-CG 3.24Å; E1120-Q1177 WeakPolarHBondContact OE2-CG 3.42Å; E1120-Q1177 PolarHBondContact OE2-NE2 3.28Å; Q1175-Q1177 PolarHBondContact O-N 3.34Å; Q1177-L1179 PolarHBondContact O-N 3.02Å; Q1177-S1180 PolarHBondContact O-N 3.36Å; Q1177-V1181 WeakPolarHBondContact O-CB 3.47Å; Q1177-V1181 VanDerWaalsContact O-CG2 3.32Å; Q1177-V1181 WeakPolarHBondContact O-CG2 3.48Å; Q1177-V1181 PolarHBondContact O-N 3.17Å |
| 1178 | M | 91.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.5 | -47.6 | 175.5 | 178.7 | 175.6 | 175 | 0 | 0 | 111.2 | W1116 F1160 T1170 L1171 S1176 L1182 L1218 | W1116-M1178 HydrophobicContact CD2-CB 3.71Å; W1116-M1178 HydrophobicContact CD2-CG 3.81Å; W1116-M1178 HydrophobicContact CE3-CB 4.17Å; W1116-M1178 HydrophobicContact CE3-CG 4.09Å; W1116-M1178 HydrophobicContact CG-CB 3.9Å; W1116-M1178 HydrophobicContact CG-CG 4.46Å; W1116-M1178 HydrophobicContact CH2-CE 4.28Å; W1116-M1178 HydrophobicContact CH2-CG 3.96Å; W1116-M1178 HydrophobicContact CH2-SD 4.47Å; W1116-M1178 HydrophobicContact CZ2-CB 4.43Å; W1116-M1178 HydrophobicContact CZ2-CE 3.82Å; W1116-M1178 HydrophobicContact CZ2-CG 3.63Å; W1116-M1178 HydrophobicContact CZ2-SD 3.7Å; W1116-M1178 HydrophobicContact CZ3-CG 4.16Å; F1160-M1178 HydrophobicContact CD2-CE 4.24Å; F1160-M1178 HydrophobicContact CE2-CE 3.55Å; F1160-M1178 HydrophobicContact CE2-SD 3.7Å; F1160-M1178 HydrophobicContact CZ-CE 4.34Å; F1160-M1178 HydrophobicContact CZ-SD 3.89Å; T1170-M1178 HydrophobicContact CG2-CB 3.75Å; T1170-M1178 HydrophobicContact CG2-CG 4.49Å; T1170-M1178 HydrophobicContact CG2-SD 3.97Å; L1171-M1178 HydrophobicContact CD1-CE 4.29Å; L1171-M1178 HydrophobicContact CD2-CE 4.11Å; L1171-M1178 HydrophobicContact CD2-CG 4.03Å; L1171-M1178 HydrophobicContact CD2-SD 4.02Å; L1171-M1178 HydrophobicContact CG-CE 4.18Å; L1171-M1178 HydrophobicContact CG-SD 3.97Å; S1176-M1178 VanDerWaalsContact C-N 3.27Å; S1176-M1178 PolarHBondContact O-N 3.42Å; M1178-L1182 HydrophobicContact CE-CD1 3.58Å; M1178-L1182 HydrophobicContact CG-CD1 3.65Å; M1178-L1182 HydrophobicContact CG-CG 4.3Å; M1178-L1182 VanDerWaalsContact O-CB 3.3Å; M1178-L1182 WeakPolarHBondContact O-CB 3.36Å; M1178-L1182 WeakPolarHBondContact O-CG 3.26Å; M1178-L1182 PolarHBondContact O-N 2.91Å; M1178-L1182 HydrophobicContact SD-CD1 4.5Å; M1178-L1218 HydrophobicContact CE-CB 4.15Å; M1178-L1218 HydrophobicContact CE-CD2 4.3Å |
| 1179 | L | 88.5 | Confident | 84.9 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 179 | -176 | 62.8 | 0 | 0 | 0 | 112 | L1171 S1176 Q1177 L1182 K1183 L1219 V1237 Y1238 N1241 | L1171-L1179 HydrophobicContact CD2-CB 4.38Å; L1171-L1179 HydrophobicContact CD2-CD1 4.48Å; S1176-L1179 PolarHBondContact O-N 3.01Å; S1176-L1179 PolarHBondContact OG-N 3.14Å; Q1177-L1179 PolarHBondContact O-N 3.02Å; L1179-L1182 PolarHBondContact O-N 3.38Å; L1179-K1183 WeakPolarHBondContact O-CB 3.45Å; L1179-K1183 PolarHBondContact O-N 2.99Å; L1179-L1219 HydrophobicContact CD1-CD2 4.1Å; L1179-V1237 HydrophobicContact CD2-CG1 3.35Å; L1179-Y1238 HydrophobicContact CD1-CD1 3.88Å; L1179-Y1238 HydrophobicContact CD1-CE1 3.86Å; L1179-N1241 HydrophobicContact CD2-CB 4.28Å; L1179-N1241 WeakPolarHBondContact CD2-ND2 3.49Å |
| 1180 | S | 87.7 | Confident | 84.9 | Confident | 40 Ų | 40 | 42 Ų | 42 | 28% | 0.28 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.2 | -49.8 | 177.5 | -172.5 | 0 | 0 | 0 | 0 | 111.6 | S1176 Q1177 K1183 H1184 | S1176-S1180 PolarHBondContact O-N 3.26Å; Q1177-S1180 PolarHBondContact O-N 3.36Å; S1180-K1183 PolarHBondContact O-N 2.97Å; S1180-H1184 WeakPolarHBondContact O-CB 3.45Å; S1180-H1184 PolarHBondContact O-N 2.81Å |
| 1181 | V | 89.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -50.1 | 177.4 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | W1116 L1119 E1120 F1123 L1125 Q1177 K1183 H1184 F1185 | W1116-V1181 HydrophobicContact CE3-CB 4.37Å; W1116-V1181 HydrophobicContact CE3-CG1 4.23Å; W1116-V1181 HydrophobicContact CZ3-CG1 4.23Å; L1119-V1181 HydrophobicContact CB-CG1 3.8Å; L1119-V1181 HydrophobicContact CB-CG2 4.1Å; L1119-V1181 HydrophobicContact CD1-CG1 4.03Å; E1120-V1181 HydrophobicContact CB-CG2 4.04Å; F1123-V1181 HydrophobicContact CD2-CG1 4.18Å; F1123-V1181 HydrophobicContact CE2-CG1 4.11Å; L1125-V1181 HydrophobicContact CD1-CB 4.42Å; L1125-V1181 HydrophobicContact CD1-CG2 3.83Å; Q1177-V1181 WeakPolarHBondContact O-CB 3.47Å; Q1177-V1181 VanDerWaalsContact O-CG2 3.32Å; Q1177-V1181 WeakPolarHBondContact O-CG2 3.48Å; Q1177-V1181 PolarHBondContact O-N 3.17Å; V1181-K1183 VanDerWaalsContact C-N 3.34Å; V1181-K1183 PolarHBondContact O-N 3.43Å; V1181-H1184 WeakPolarHBondContact O-CB 3.43Å; V1181-H1184 PolarHBondContact O-N 3.47Å; V1181-H1184 VanDerWaalsContact O-N 3.16Å; V1181-F1185 HydrophobicContact CG1-CD2 4.25Å; V1181-F1185 HydrophobicContact CG1-CE2 3.69Å; V1181-F1185 VanDerWaalsContact O-CD2 3.24Å; V1181-F1185 WeakPolarHBondContact O-CD2 3.5Å; V1181-F1185 PolarHBondContact O-N 3.44Å |
| 1182 | L | 90.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | -178.6 | -68.8 | 175.8 | 0 | 0 | 0 | 112.1 | W1116 L1153 M1178 L1179 F1186 C1215 L1218 L1219 | W1116-L1182 HydrophobicContact CH2-CD1 4.45Å; W1116-L1182 HydrophobicContact CH2-CD2 4.19Å; W1116-L1182 HydrophobicContact CH2-CG 4.39Å; W1116-L1182 HydrophobicContact CZ3-CD2 4.15Å; W1116-L1182 HydrophobicContact CZ3-CG 4.22Å; L1153-L1182 HydrophobicContact CD2-CD2 3.95Å; M1178-L1182 HydrophobicContact CE-CD1 3.58Å; M1178-L1182 HydrophobicContact CG-CD1 3.65Å; M1178-L1182 HydrophobicContact CG-CG 4.3Å; M1178-L1182 VanDerWaalsContact O-CB 3.3Å; M1178-L1182 WeakPolarHBondContact O-CB 3.36Å; M1178-L1182 WeakPolarHBondContact O-CG 3.26Å; M1178-L1182 PolarHBondContact O-N 2.91Å; M1178-L1182 HydrophobicContact SD-CD1 4.5Å; L1179-L1182 PolarHBondContact O-N 3.38Å; L1182-F1186 WeakPolarHBondContact O-CD2 3.24Å; L1182-F1186 WeakPolarHBondContact O-CE2 2.98Å; L1182-C1215 HydrophobicContact CD2-CB 3.85Å; L1182-L1218 HydrophobicContact CD1-CB 4.17Å; L1182-L1218 HydrophobicContact CD2-CD1 4.19Å; L1182-L1219 HydrophobicContact CB-CD1 4.16Å; L1182-L1219 HydrophobicContact CB-CD2 4.15Å; L1182-L1219 HydrophobicContact CB-CG 4.29Å; L1182-L1219 HydrophobicContact CD1-CD2 3.81Å; L1182-L1219 HydrophobicContact CD1-CG 3.93Å |
| 1183 | K | 88.4 | Confident | 83.6 | Confident | 52 Ų | 52 | 44.5 Ų | 44.5 | 23% | 0.226 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62 | -42.9 | 173 | 176.5 | -177 | 172.2 | 172.6 | 0 | 111.7 | L1179 S1180 V1181 F1185 F1186 N1241 L1243 H1246 | L1179-K1183 WeakPolarHBondContact O-CB 3.45Å; L1179-K1183 PolarHBondContact O-N 2.99Å; S1180-K1183 PolarHBondContact O-N 2.97Å; V1181-K1183 VanDerWaalsContact C-N 3.34Å; V1181-K1183 PolarHBondContact O-N 3.43Å; K1183-F1185 VanDerWaalsContact C-N 3.29Å; K1183-F1185 PolarHBondContact O-N 3.03Å; K1183-F1186 PolarHBondContact O-N 3.21Å; K1183-F1186 VanDerWaalsContact O-N 3.12Å; K1183-N1241 HydrophobicContact CD-CB 4.43Å; K1183-N1241 WeakPolarHBondContact CE-O 3.24Å; K1183-N1241 PolarHBondContact NZ-O 3.36Å; K1183-L1243 HydrophobicContact CB-CD1 4.26Å; K1183-L1243 HydrophobicContact CG-CD1 4.47Å; K1183-H1246 WeakPolarHBondContact CE-NE2 3.17Å |
| 1184 | H | 88.7 | Confident | 83.3 | Confident | 37 Ų | 37 | 41 Ų | 41 | 17% | 0.171 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.7 | -36.3 | -177.1 | -174 | 72.6 | 0 | 0 | 0 | 112.9 | F1123 L1125 S1180 V1181 F1186 T1187 C1190 | F1123-H1184 AromaticContact CD1-CD2 3.47Å; F1123-H1184 VanDerWaalsContact CD1-CD2 3.47Å; F1123-H1184 WeakPolarHBondContact CD1-CD2 3.15Å; F1123-H1184 AromaticContact CD1-NE2 3.83Å; F1123-H1184 AromaticContact CG-CD2 3.85Å; L1125-H1184 HydrophobicContact CD1-CB 4.19Å; L1125-H1184 HydrophobicContact CD2-CB 4.01Å; S1180-H1184 WeakPolarHBondContact O-CB 3.45Å; S1180-H1184 PolarHBondContact O-N 2.81Å; V1181-H1184 WeakPolarHBondContact O-CB 3.43Å; V1181-H1184 PolarHBondContact O-N 3.47Å; V1181-H1184 VanDerWaalsContact O-N 3.16Å; H1184-F1186 PolarHBondContact O-N 3.19Å; H1184-T1187 WeakPolarHBondContact O-CB 3.45Å; H1184-T1187 WeakPolarHBondContact O-CG2 3.4Å; H1184-T1187 PolarHBondContact O-N 3.34Å; H1184-T1187 PolarHBondContact O-OG1 2.98Å; H1184-C1190 VanDerWaalsContact O-CB 3.25Å; H1184-C1190 WeakPolarHBondContact O-CB 3.24Å |
| 1185 | F | 89.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.5 | -32.7 | 175.4 | -79.1 | -67.5 | 0 | 0 | 0 | 113.7 | F1123 I1149 L1153 V1181 K1183 T1187 I1191 L1194 I1211 L1212 C1215 | F1123-F1185 HydrophobicContact CE1-CE1 4.08Å; F1123-F1185 HydrophobicContact CE1-CZ 4.3Å; F1123-F1185 HydrophobicContact CE2-CE1 4.07Å; F1123-F1185 AromaticContact CE2-CE2 3.9Å; F1123-F1185 HydrophobicContact CE2-CE2 3.9Å; F1123-F1185 AromaticContact CE2-CZ 3.46Å; F1123-F1185 HydrophobicContact CE2-CZ 3.46Å; F1123-F1185 VanDerWaalsContact CE2-CZ 3.46Å; F1123-F1185 HydrophobicContact CZ-CD1 4.27Å; F1123-F1185 AromaticContact CZ-CE1 3.36Å; F1123-F1185 HydrophobicContact CZ-CE1 3.36Å; F1123-F1185 HydrophobicContact CZ-CE2 4.04Å; F1123-F1185 AromaticContact CZ-CZ 3.22Å; F1123-F1185 HydrophobicContact CZ-CZ 3.22Å; I1149-F1185 HydrophobicContact CD1-CE1 4.42Å; I1149-F1185 HydrophobicContact CG2-CE1 3.61Å; I1149-F1185 HydrophobicContact CG2-CZ 3.41Å; I1149-F1185 VanDerWaalsContact CG2-CZ 3.41Å; L1153-F1185 HydrophobicContact CD2-CE2 4.43Å; V1181-F1185 HydrophobicContact CG1-CD2 4.25Å; V1181-F1185 HydrophobicContact CG1-CE2 3.69Å; V1181-F1185 VanDerWaalsContact O-CD2 3.24Å; V1181-F1185 WeakPolarHBondContact O-CD2 3.5Å; V1181-F1185 PolarHBondContact O-N 3.44Å; K1183-F1185 VanDerWaalsContact C-N 3.29Å; K1183-F1185 PolarHBondContact O-N 3.03Å; F1185-T1187 VanDerWaalsContact C-N 3.28Å; F1185-T1187 PolarHBondContact O-N 3.49Å; F1185-I1191 WeakPolarHBondContact O-CG1 3.25Å; F1185-L1194 HydrophobicContact CD1-CD1 4.35Å; F1185-I1211 HydrophobicContact CD1-CG2 3.68Å; F1185-I1211 HydrophobicContact CE1-CG2 3.73Å; F1185-I1211 HydrophobicContact CG-CG2 4.34Å; F1185-I1211 HydrophobicContact CZ-CG2 4.4Å; F1185-L1212 HydrophobicContact CB-CD2 4.13Å; F1185-L1212 VanDerWaalsContact O-CD2 3.27Å; F1185-L1212 WeakPolarHBondContact O-CD2 3.48Å; F1185-C1215 WeakPolarHBondContact CD2-SG 3.29Å |
| 1186 | F | 87.6 | Confident | 82.9 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 7.3 | 179.6 | -61.9 | -77.7 | 0 | 0 | 0 | 113.6 | L1182 K1183 H1184 L1212 C1215 A1216 L1219 H1246 F1247 I1304 | L1182-F1186 WeakPolarHBondContact O-CD2 3.24Å; L1182-F1186 WeakPolarHBondContact O-CE2 2.98Å; K1183-F1186 PolarHBondContact O-N 3.21Å; K1183-F1186 VanDerWaalsContact O-N 3.12Å; H1184-F1186 PolarHBondContact O-N 3.19Å; F1186-L1212 HydrophobicContact CD1-CD2 3.69Å; F1186-L1212 HydrophobicContact CE1-CB 3.99Å; F1186-L1212 HydrophobicContact CE1-CD2 3.75Å; F1186-L1212 HydrophobicContact CE1-CG 4.42Å; F1186-L1212 HydrophobicContact CG-CD2 4.28Å; F1186-L1212 HydrophobicContact CZ-CD2 4.37Å; F1186-L1212 WeakPolarHBondContact CZ-O 3.38Å; F1186-C1215 HydrophobicContact CE2-CB 3.67Å; F1186-C1215 HydrophobicContact CZ-CB 3.64Å; F1186-A1216 HydrophobicContact CZ-CB 4.33Å; F1186-L1219 HydrophobicContact CE2-CD1 3.9Å; F1186-H1246 HydrophobicContact CB-CB 3.68Å; F1186-F1247 AromaticContact CD1-CD1 3.59Å; F1186-F1247 HydrophobicContact CD1-CD1 3.59Å; F1186-F1247 HydrophobicContact CD1-CE1 4Å; F1186-F1247 AromaticContact CD2-CD1 4Å; F1186-F1247 HydrophobicContact CD2-CD1 4Å; F1186-F1247 AromaticContact CD2-CE1 3.7Å; F1186-F1247 HydrophobicContact CD2-CE1 3.7Å; F1186-F1247 AromaticContact CE1-CD1 3.62Å; F1186-F1247 HydrophobicContact CE1-CD1 3.62Å; F1186-F1247 AromaticContact CE1-CE1 3.73Å; F1186-F1247 HydrophobicContact CE1-CE1 3.73Å; F1186-F1247 HydrophobicContact CE2-CD1 4.07Å; F1186-F1247 AromaticContact CE2-CE1 3.45Å; F1186-F1247 HydrophobicContact CE2-CE1 3.45Å; F1186-F1247 VanDerWaalsContact CE2-CE1 3.45Å; F1186-F1247 HydrophobicContact CE2-CZ 4.49Å; F1186-F1247 AromaticContact CG-CD1 3.8Å; F1186-F1247 HydrophobicContact CG-CD1 3.8Å; F1186-F1247 HydrophobicContact CG-CE1 4Å; F1186-F1247 AromaticContact CZ-CD1 3.88Å; F1186-F1247 HydrophobicContact CZ-CD1 3.88Å; F1186-F1247 AromaticContact CZ-CE1 3.46Å; F1186-F1247 HydrophobicContact CZ-CE1 3.46Å; F1186-F1247 VanDerWaalsContact CZ-CE1 3.46Å; F1186-I1304 HydrophobicContact CE1-CG1 4.38Å; F1186-I1304 HydrophobicContact CE1-CG2 4.35Å |
| 1187 | T | 84.9 | Confident | 81.9 | Confident | 27 Ų | 27 | 32.9 Ų | 32.9 | 17% | 0.166 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -82.3 | 145.6 | 174.6 | 66.6 | 0 | 0 | 0 | 0 | 111.5 | H1184 F1185 K1189 C1190 I1191 | H1184-T1187 WeakPolarHBondContact O-CB 3.45Å; H1184-T1187 WeakPolarHBondContact O-CG2 3.4Å; H1184-T1187 PolarHBondContact O-N 3.34Å; H1184-T1187 PolarHBondContact O-OG1 2.98Å; F1185-T1187 VanDerWaalsContact C-N 3.28Å; F1185-T1187 PolarHBondContact O-N 3.49Å; T1187-K1189 VanDerWaalsContact C-N 3.26Å; T1187-K1189 PolarHBondContact O-N 3.11Å; T1187-C1190 PolarHBondContact O-N 2.94Å; T1187-C1190 WeakPolarHBondContact OG1-CB 3.41Å; T1187-C1190 PolarHBondContact OG1-N 3.2Å; T1187-I1191 WeakPolarHBondContact O-CG1 3.44Å; T1187-I1191 PolarHBondContact O-N 2.95Å; T1187-I1191 VanDerWaalsContact O-N 3.15Å |
| 1188 | T | 76.5 | Confident | 80.4 | Confident | 63 Ų | 63 | 32.9 Ų | 32.9 | 39% | 0.387 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -54.7 | -42.9 | 177.5 | -49.8 | 0 | 0 | 0 | 0 | 111.7 | I1191 E1192 N1253 | T1188-I1191 PolarHBondContact O-N 3.26Å; T1188-E1192 WeakPolarHBondContact O-CG 3.4Å; T1188-E1192 PolarHBondContact O-N 2.73Å; T1188-N1253 VanDerWaalsContact CG2-ND2 3.25Å; T1188-N1253 WeakPolarHBondContact CG2-ND2 3.49Å |
| 1189 | K | 78 | Confident | 78.7 | Confident | 87 Ų | 87 | 34.8 Ų | 34.8 | 38% | 0.378 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.3 | -50.7 | 178.7 | -174.3 | 179.7 | 174.6 | -176.4 | 0 | 111.9 | Y1137 T1187 I1191 E1192 E1193 | Y1137-K1189 PolarHBondContact O-NZ 3.38Å; T1187-K1189 VanDerWaalsContact C-N 3.26Å; T1187-K1189 PolarHBondContact O-N 3.11Å; K1189-I1191 PolarHBondContact O-N 3.3Å; K1189-E1192 PolarHBondContact O-N 2.96Å; K1189-E1193 WeakPolarHBondContact CE-OE1 3.4Å; K1189-E1193 WeakPolarHBondContact O-CG 3.45Å; K1189-E1193 PolarHBondContact O-N 3.27Å |
| 1190 | C | 83.7 | Confident | 76.9 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | -178.9 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | I1139 H1184 T1187 E1192 E1193 L1194 | I1139-C1190 HydrophobicContact CD1-CB 4.45Å; H1184-C1190 VanDerWaalsContact O-CB 3.25Å; H1184-C1190 WeakPolarHBondContact O-CB 3.24Å; T1187-C1190 PolarHBondContact O-N 2.94Å; T1187-C1190 WeakPolarHBondContact OG1-CB 3.41Å; T1187-C1190 PolarHBondContact OG1-N 3.2Å; C1190-E1192 PolarHBondContact O-N 2.89Å; C1190-E1193 PolarHBondContact O-N 2.89Å; C1190-L1194 WeakPolarHBondContact O-CG 3.47Å; C1190-L1194 PolarHBondContact O-N 2.96Å |
| 1191 | I | 81.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 178 | -66.7 | 168.6 | 0 | 0 | 0 | 111.3 | F1185 T1187 T1188 K1189 R1195 V1208 L1212 I1254 | F1185-I1191 WeakPolarHBondContact O-CG1 3.25Å; T1187-I1191 WeakPolarHBondContact O-CG1 3.44Å; T1187-I1191 PolarHBondContact O-N 2.95Å; T1187-I1191 VanDerWaalsContact O-N 3.15Å; T1188-I1191 PolarHBondContact O-N 3.26Å; K1189-I1191 PolarHBondContact O-N 3.3Å; I1191-R1195 WeakPolarHBondContact O-CB 3.35Å; I1191-R1195 VanDerWaalsContact O-CG 3.3Å; I1191-R1195 WeakPolarHBondContact O-CG 3.49Å; I1191-R1195 PolarHBondContact O-N 3.48Å; I1191-V1208 HydrophobicContact CG2-CG1 4.28Å; I1191-L1212 HydrophobicContact CD1-CD1 4.24Å; I1191-L1212 HydrophobicContact CG1-CD1 4.41Å; I1191-I1254 HydrophobicContact CG2-CG1 4.5Å |
| 1192 | E | 75.1 | Confident | 73.4 | Confident | 79 Ų | 79 | 44.5 Ų | 44.5 | 37% | 0.369 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65 | -43.9 | 176.5 | -75.8 | -178.9 | -169.8 | 0 | 0 | 112.2 | T1188 K1189 C1190 R1195 Q1196 | T1188-E1192 WeakPolarHBondContact O-CG 3.4Å; T1188-E1192 PolarHBondContact O-N 2.73Å; K1189-E1192 PolarHBondContact O-N 2.96Å; C1190-E1192 PolarHBondContact O-N 2.89Å; E1192-R1195 PolarHBondContact O-N 3.18Å; E1192-Q1196 VanDerWaalsContact O-CB 3.32Å; E1192-Q1196 WeakPolarHBondContact O-CB 3.43Å; E1192-Q1196 WeakPolarHBondContact O-CG 3.45Å; E1192-Q1196 PolarHBondContact O-N 3.49Å |
| 1193 | E | 73.4 | Confident | 72.1 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -42 | 177.7 | -74 | -174.1 | -160.2 | 0 | 0 | 112.3 | G1138 I1139 K1189 C1190 Q1196 S1197 | G1138-E1193 VanDerWaalsContact CA-OE2 3.27Å; G1138-E1193 WeakPolarHBondContact CA-OE2 3.48Å; I1139-E1193 HydrophobicContact CD1-CB 3.81Å; I1139-E1193 WeakPolarHBondContact CG1-OE2 3.37Å; I1139-E1193 PolarHBondContact N-OE2 3.43Å; K1189-E1193 WeakPolarHBondContact CE-OE1 3.4Å; K1189-E1193 WeakPolarHBondContact O-CG 3.45Å; K1189-E1193 PolarHBondContact O-N 3.27Å; C1190-E1193 PolarHBondContact O-N 2.89Å; E1193-Q1196 PolarHBondContact O-N 3.36Å; E1193-S1197 PolarHBondContact O-N 2.86Å; E1193-S1197 VanDerWaalsContact O-N 3.1Å |
| 1194 | L | 77.4 | Confident | 71 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | 175 | -70.1 | 172.6 | 0 | 0 | 0 | 111.9 | I1139 L1141 P1146 I1149 F1185 C1190 S1197 V1208 I1211 | I1139-L1194 HydrophobicContact CD1-CD2 4.41Å; I1139-L1194 HydrophobicContact CD1-CG 4.25Å; L1141-L1194 HydrophobicContact CD2-CD2 3.96Å; P1146-L1194 HydrophobicContact CB-CD2 4.33Å; P1146-L1194 HydrophobicContact CG-CD2 4.05Å; I1149-L1194 HydrophobicContact CD1-CD2 4.27Å; F1185-L1194 HydrophobicContact CD1-CD1 4.35Å; C1190-L1194 WeakPolarHBondContact O-CG 3.47Å; C1190-L1194 PolarHBondContact O-N 2.96Å; L1194-S1197 WeakPolarHBondContact O-CB 3.31Å; L1194-S1197 PolarHBondContact O-N 2.94Å; L1194-S1197 PolarHBondContact O-OG 2.99Å; L1194-V1208 HydrophobicContact CB-CG2 3.78Å; L1194-I1211 HydrophobicContact CD1-CD1 4.42Å |
| 1195 | R | 72.6 | Confident | 70.1 | Confident | 58 Ų | 58 | 48.3 Ų | 48.3 | 22% | 0.219 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -37.4 | 176.8 | -81.9 | 178.7 | 159 | -176.7 | -12.2 | 113.3 | I1191 E1192 S1197 V1208 N1253 I1254 | I1191-R1195 WeakPolarHBondContact O-CB 3.35Å; I1191-R1195 VanDerWaalsContact O-CG 3.3Å; I1191-R1195 WeakPolarHBondContact O-CG 3.49Å; I1191-R1195 PolarHBondContact O-N 3.48Å; E1192-R1195 PolarHBondContact O-N 3.18Å; R1195-S1197 VanDerWaalsContact C-N 3.28Å; R1195-V1208 HydrophobicContact CG-CG2 4.21Å; R1195-N1253 PolarHBondContact NH1-O 3.36Å; R1195-N1253 PolarHBondContact NH1-OD1 3.45Å; R1195-I1254 VanDerWaalsContact NH2-CA 3.26Å; R1195-I1254 PolarHBondContact NH2-O 3.49Å |
| 1196 | Q | 65.3 | Low | 69.3 | Low | 113 Ų | 113 | 51 Ų | 51 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -81.6 | -8.8 | 179.6 | -69.4 | 171.2 | 25.6 | 0 | 0 | 112.6 | E1192 E1193 S1198 | E1192-Q1196 VanDerWaalsContact O-CB 3.32Å; E1192-Q1196 WeakPolarHBondContact O-CB 3.43Å; E1192-Q1196 WeakPolarHBondContact O-CG 3.45Å; E1192-Q1196 PolarHBondContact O-N 3.49Å; E1193-Q1196 PolarHBondContact O-N 3.36Å; Q1196-S1198 PolarHBondContact O-N 3.35Å |
| 1197 | S | 63.4 | Low | 68.9 | Low | 16 Ų | 16 | 52.2 Ų | 52.2 | 11% | 0.112 | 28% | 0.281 | C | S | . | . | trans | -63.3 | 133.7 | -179.5 | 76.6 | 0 | 0 | 0 | 0 | 111.8 | E1193 L1194 R1195 W1199 A1200 | E1193-S1197 PolarHBondContact O-N 2.86Å; E1193-S1197 VanDerWaalsContact O-N 3.1Å; L1194-S1197 WeakPolarHBondContact O-CB 3.31Å; L1194-S1197 PolarHBondContact O-N 2.94Å; L1194-S1197 PolarHBondContact O-OG 2.99Å; R1195-S1197 VanDerWaalsContact C-N 3.28Å; S1197-W1199 PolarHBondContact O-N 3.48Å; S1197-A1200 PolarHBondContact O-N 3.02Å | ||
| 1198 | S | 54.1 | Low | 68.8 | Low | 59 Ų | 59 | 51.1 Ų | 51.1 | 41% | 0.413 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -60 | -15.9 | 174.8 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | Q1196 A1200 | Q1196-S1198 PolarHBondContact O-N 3.35Å; S1198-A1200 VanDerWaalsContact C-N 3.26Å; S1198-A1200 PolarHBondContact O-N 3.29Å |
| 1199 | W | 56.2 | Low | 69 | Low | 40 Ų | 40 | 48.1 Ų | 48.1 | 15% | 0.152 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -75.4 | -17.5 | -177.1 | -58.1 | 78.3 | 0 | 0 | 0 | 112.5 | N1080 H1081 P1146 S1197 A1201 | N1080-W1199 HydrophobicContact CB-CD2 4.05Å; N1080-W1199 HydrophobicContact CB-CE3 3.4Å; N1080-W1199 HydrophobicContact CB-CZ3 3.79Å; N1080-W1199 WeakPolarHBondContact O-CZ3 3.34Å; H1081-W1199 WeakPolarHBondContact O-CH2 3.46Å; H1081-W1199 VanDerWaalsContact O-CZ3 3.27Å; H1081-W1199 WeakPolarHBondContact O-CZ3 3.43Å; P1146-W1199 HydrophobicContact CG-CB 4.27Å; S1197-W1199 PolarHBondContact O-N 3.48Å; W1199-A1201 VanDerWaalsContact C-N 3.31Å; W1199-A1201 PolarHBondContact O-N 2.89Å |
| 1200 | A | 50.8 | Low | 69.3 | Low | 12 Ų | 12 | 46.4 Ų | 46.4 | 10% | 0.099 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -94.6 | 28.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1197 S1198 L1202 H1203 P1204 | S1197-A1200 PolarHBondContact O-N 3.02Å; S1198-A1200 VanDerWaalsContact C-N 3.26Å; S1198-A1200 PolarHBondContact O-N 3.29Å; A1200-L1202 VanDerWaalsContact C-N 3.28Å; A1200-L1202 PolarHBondContact O-N 3.25Å; A1200-H1203 PolarHBondContact O-N 2.86Å; A1200-P1204 HydrophobicContact CB-CB 3.52Å; A1200-P1204 VanDerWaalsContact O-CD 3.3Å; A1200-P1204 WeakPolarHBondContact O-CD 3.48Å |
| 1201 | A | 50.8 | Low | 69.5 | Low | 83 Ų | 83 | 46.3 Ų | 46.3 | 69% | 0.686 | 25% | 0.25 | S | S | * | . | trans | -61.2 | -17 | -158.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | W1199 | W1199-A1201 VanDerWaalsContact C-N 3.31Å; W1199-A1201 PolarHBondContact O-N 2.89Å | ||
| 1202 | L | 52.4 | Low | 69.9 | Low | 155 Ų | 155 | 46.4 Ų | 46.4 | 81% | 0.812 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -110.4 | -38.9 | -178.7 | -80.7 | 145.5 | 0 | 0 | 0 | 112.9 | A1200 | A1200-L1202 VanDerWaalsContact C-N 3.28Å; A1200-L1202 PolarHBondContact O-N 3.25Å |
| 1203 | H | 63.2 | Low | 70.3 | Confident | 109 Ų | 109 | 43 Ų | 43 | 51% | 0.505 | 24% | 0.235 | S | C | . | . | trans | -154.3 | 74.5 | -175.7 | -75.4 | -86.5 | 0 | 0 | 0 | 111.5 | A1200 T1205 D1206 L1207 | A1200-H1203 PolarHBondContact O-N 2.86Å; H1203-T1205 VanDerWaalsContact C-N 3.31Å; H1203-T1205 PolarHBondContact O-N 3.41Å; H1203-D1206 HydrophobicContact CB-CB 4.13Å; H1203-D1206 WeakPolarHBondContact CB-OD2 3.38Å; H1203-D1206 IonicContact CG-OD2 2.94Å; H1203-D1206 IonicContact ND1-OD2 3.51Å; H1203-D1206 PolarHBondContact ND1-OD2 3.42Å; H1203-D1206 PolarHBondContact O-N 3.32Å; H1203-L1207 PolarHBondContact O-N 3.33Å | ||
| 1204 | P | 65.3 | Low | 71.1 | Confident | 40 Ų | 40 | 41.5 Ų | 41.5 | 26% | 0.26 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.7 | -36.2 | -172.1 | 24 | -32.5 | 0 | 0 | 0 | 113.2 | A1200 V1208 | A1200-P1204 HydrophobicContact CB-CB 3.52Å; A1200-P1204 VanDerWaalsContact O-CD 3.3Å; A1200-P1204 WeakPolarHBondContact O-CD 3.48Å; P1204-V1208 WeakPolarHBondContact O-CB 3.47Å; P1204-V1208 WeakPolarHBondContact O-CG2 3.37Å; P1204-V1208 PolarHBondContact O-N 2.88Å |
| 1205 | T | 69.6 | Low | 71.7 | Confident | 20 Ų | 20 | 41.4 Ų | 41.4 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.3 | -36 | -177 | -47.5 | 0 | 0 | 0 | 0 | 112.4 | H1203 V1208 L1209 I1254 I1286 | H1203-T1205 VanDerWaalsContact C-N 3.31Å; H1203-T1205 PolarHBondContact O-N 3.41Å; T1205-V1208 PolarHBondContact O-N 2.98Å; T1205-L1209 HydrophobicContact CG2-CD1 4.2Å; T1205-L1209 WeakPolarHBondContact O-CB 3.49Å; T1205-L1209 WeakPolarHBondContact O-CG 2.66Å; T1205-L1209 PolarHBondContact O-N 3.43Å; T1205-I1254 HydrophobicContact CG2-CG2 4.06Å; T1205-I1286 HydrophobicContact CG2-CD1 3.34Å; T1205-I1286 HydrophobicContact CG2-CG1 4.14Å |
| 1206 | D | 72.9 | Confident | 72.3 | Confident | 58 Ų | 58 | 38.6 Ų | 38.6 | 31% | 0.31 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.3 | -45.5 | -178.6 | -57.2 | -25.3 | 0 | 0 | 0 | 110.1 | H1203 V1208 L1209 D1210 | H1203-D1206 HydrophobicContact CB-CB 4.13Å; H1203-D1206 WeakPolarHBondContact CB-OD2 3.38Å; H1203-D1206 IonicContact CG-OD2 2.94Å; H1203-D1206 IonicContact ND1-OD2 3.51Å; H1203-D1206 PolarHBondContact ND1-OD2 3.42Å; H1203-D1206 PolarHBondContact O-N 3.32Å; D1206-V1208 PolarHBondContact O-N 3.29Å; D1206-L1209 WeakPolarHBondContact O-CB 3.2Å; D1206-L1209 PolarHBondContact O-N 2.86Å; D1206-L1209 VanDerWaalsContact O-N 3.13Å; D1206-D1210 PolarHBondContact O-N 3.41Å |
| 1207 | L | 78.9 | Confident | 73.3 | Confident | 26 Ų | 26 | 38 Ų | 38 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -39.4 | 176.7 | -177.1 | 57.8 | 0 | 0 | 0 | 112.8 | P1146 K1147 L1150 H1203 L1209 D1210 I1211 | P1146-L1207 HydrophobicContact CB-CD2 3.61Å; P1146-L1207 HydrophobicContact CB-CG 4.16Å; K1147-L1207 HydrophobicContact CG-CD1 4.29Å; K1147-L1207 HydrophobicContact CG-CD2 4.02Å; L1150-L1207 HydrophobicContact CD2-CD1 4Å; H1203-L1207 PolarHBondContact O-N 3.33Å; L1207-L1209 VanDerWaalsContact C-N 3.3Å; L1207-L1209 PolarHBondContact O-N 2.98Å; L1207-D1210 PolarHBondContact O-N 3.21Å; L1207-I1211 HydrophobicContact CG-CD1 4.45Å; L1207-I1211 VanDerWaalsContact O-CG1 3.31Å; L1207-I1211 WeakPolarHBondContact O-CG1 3.33Å; L1207-I1211 PolarHBondContact O-N 3.4Å; L1207-I1211 VanDerWaalsContact O-N 3.08Å |
| 1208 | V | 83.4 | Confident | 74.4 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -40.7 | 173.7 | 168.6 | 0 | 0 | 0 | 0 | 110.5 | I1191 L1194 R1195 P1204 T1205 D1206 I1211 L1212 | I1191-V1208 HydrophobicContact CG2-CG1 4.28Å; L1194-V1208 HydrophobicContact CB-CG2 3.78Å; R1195-V1208 HydrophobicContact CG-CG2 4.21Å; P1204-V1208 WeakPolarHBondContact O-CB 3.47Å; P1204-V1208 WeakPolarHBondContact O-CG2 3.37Å; P1204-V1208 PolarHBondContact O-N 2.88Å; T1205-V1208 PolarHBondContact O-N 2.98Å; D1206-V1208 PolarHBondContact O-N 3.29Å; V1208-I1211 PolarHBondContact O-N 3.31Å; V1208-L1212 HydrophobicContact CG1-CD1 3.88Å; V1208-L1212 HydrophobicContact CG1-CG 4.36Å; V1208-L1212 VanDerWaalsContact O-CG 3.23Å; V1208-L1212 WeakPolarHBondContact O-CG 3.28Å; V1208-L1212 PolarHBondContact O-N 3.07Å |
| 1209 | L | 81.2 | Confident | 76 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.5 | -38.5 | 176.5 | -81.4 | 168.8 | 0 | 0 | 0 | 113 | T1205 D1206 L1207 I1211 L1212 S1213 I1254 L1297 H1300 | T1205-L1209 HydrophobicContact CG2-CD1 4.2Å; T1205-L1209 WeakPolarHBondContact O-CB 3.49Å; T1205-L1209 WeakPolarHBondContact O-CG 2.66Å; T1205-L1209 PolarHBondContact O-N 3.43Å; D1206-L1209 WeakPolarHBondContact O-CB 3.2Å; D1206-L1209 PolarHBondContact O-N 2.86Å; D1206-L1209 VanDerWaalsContact O-N 3.13Å; L1207-L1209 VanDerWaalsContact C-N 3.3Å; L1207-L1209 PolarHBondContact O-N 2.98Å; L1209-I1211 VanDerWaalsContact C-N 3.35Å; L1209-L1212 PolarHBondContact O-N 3.42Å; L1209-S1213 WeakPolarHBondContact O-CB 3.41Å; L1209-S1213 PolarHBondContact O-N 3.45Å; L1209-I1254 HydrophobicContact CD1-CG2 4.19Å; L1209-I1254 HydrophobicContact CD2-CD1 3.78Å; L1209-I1254 HydrophobicContact CD2-CG2 4.03Å; L1209-I1254 HydrophobicContact CG-CG2 4.18Å; L1209-L1297 HydrophobicContact CD1-CD1 3.19Å; L1209-L1297 HydrophobicContact CD1-CG 4.34Å; L1209-H1300 HydrophobicContact CB-CB 4.34Å; L1209-H1300 HydrophobicContact CD2-CB 4.34Å |
| 1210 | D | 83.8 | Confident | 77.2 | Confident | 51 Ų | 51 | 35 Ų | 35 | 27% | 0.273 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.2 | -46.8 | 173.5 | -67.7 | -26.5 | 0 | 0 | 0 | 111 | L1150 D1206 L1207 S1213 S1214 H1300 | L1150-D1210 HydrophobicContact CD1-CB 3.99Å; L1150-D1210 HydrophobicContact CD2-CB 3.77Å; D1206-D1210 PolarHBondContact O-N 3.41Å; L1207-D1210 PolarHBondContact O-N 3.21Å; D1210-S1213 PolarHBondContact O-N 3.32Å; D1210-S1214 WeakPolarHBondContact O-CB 3.42Å; D1210-S1214 PolarHBondContact O-N 3.31Å; D1210-S1214 PolarHBondContact O-OG 3.49Å; D1210-H1300 IonicContact OD1-CE1 2.71Å; D1210-H1300 PolarHBondContact OD1-CE1 3.32Å; D1210-H1300 IonicContact OD1-ND1 3.23Å; D1210-H1300 IonicContact OD1-NE2 3.13Å |
| 1211 | I | 88.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -51.1 | 177.6 | -68.5 | 167.3 | 0 | 0 | 0 | 110.3 | P1146 I1149 L1150 L1153 F1185 L1194 L1207 V1208 L1209 S1213 S1214 C1215 | P1146-I1211 HydrophobicContact CB-CD1 4.12Å; P1146-I1211 WeakPolarHBondContact O-CD1 3.47Å; I1149-I1211 HydrophobicContact CG2-CD1 4.23Å; I1149-I1211 HydrophobicContact CG2-CG1 4.3Å; I1149-I1211 HydrophobicContact CG2-CG2 4.06Å; L1150-I1211 HydrophobicContact CB-CG1 4.11Å; L1150-I1211 HydrophobicContact CD1-CG1 4.48Å; L1153-I1211 HydrophobicContact CD1-CG2 3.88Å; F1185-I1211 HydrophobicContact CD1-CG2 3.68Å; F1185-I1211 HydrophobicContact CE1-CG2 3.73Å; F1185-I1211 HydrophobicContact CG-CG2 4.34Å; F1185-I1211 HydrophobicContact CZ-CG2 4.4Å; L1194-I1211 HydrophobicContact CD1-CD1 4.42Å; L1207-I1211 HydrophobicContact CG-CD1 4.45Å; L1207-I1211 VanDerWaalsContact O-CG1 3.31Å; L1207-I1211 WeakPolarHBondContact O-CG1 3.33Å; L1207-I1211 PolarHBondContact O-N 3.4Å; L1207-I1211 VanDerWaalsContact O-N 3.08Å; V1208-I1211 PolarHBondContact O-N 3.31Å; L1209-I1211 VanDerWaalsContact C-N 3.35Å; I1211-S1213 VanDerWaalsContact C-N 3.33Å; I1211-S1213 PolarHBondContact O-N 3.41Å; I1211-S1214 PolarHBondContact O-N 2.88Å; I1211-C1215 PolarHBondContact O-N 2.89Å; I1211-C1215 PolarHBondContact O-SG 3.38Å |
| 1212 | L | 89 | Confident | 79.9 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.7 | -38 | -178.6 | -66 | 174.1 | 0 | 0 | 0 | 112.2 | F1185 F1186 I1191 V1208 L1209 C1215 A1216 I1254 I1304 | F1185-L1212 HydrophobicContact CB-CD2 4.13Å; F1185-L1212 VanDerWaalsContact O-CD2 3.27Å; F1185-L1212 WeakPolarHBondContact O-CD2 3.48Å; F1186-L1212 HydrophobicContact CD1-CD2 3.69Å; F1186-L1212 HydrophobicContact CE1-CB 3.99Å; F1186-L1212 HydrophobicContact CE1-CD2 3.75Å; F1186-L1212 HydrophobicContact CE1-CG 4.42Å; F1186-L1212 HydrophobicContact CG-CD2 4.28Å; F1186-L1212 HydrophobicContact CZ-CD2 4.37Å; F1186-L1212 WeakPolarHBondContact CZ-O 3.38Å; I1191-L1212 HydrophobicContact CD1-CD1 4.24Å; I1191-L1212 HydrophobicContact CG1-CD1 4.41Å; V1208-L1212 HydrophobicContact CG1-CD1 3.88Å; V1208-L1212 HydrophobicContact CG1-CG 4.36Å; V1208-L1212 VanDerWaalsContact O-CG 3.23Å; V1208-L1212 WeakPolarHBondContact O-CG 3.28Å; V1208-L1212 PolarHBondContact O-N 3.07Å; L1209-L1212 PolarHBondContact O-N 3.42Å; L1212-C1215 PolarHBondContact O-N 3.16Å; L1212-A1216 VanDerWaalsContact O-CB 3.31Å; L1212-A1216 WeakPolarHBondContact O-CB 3.36Å; L1212-A1216 PolarHBondContact O-N 3.4Å; L1212-I1254 HydrophobicContact CD1-CD1 3.28Å; L1212-I1254 HydrophobicContact CD1-CG1 4.32Å; L1212-I1304 HydrophobicContact CB-CD1 3.82Å |
| 1213 | S | 84.9 | Confident | 80.8 | Confident | 6 Ų | 6 | 25.4 Ų | 25.4 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.6 | -43.2 | 174.5 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | L1209 D1210 I1211 A1216 H1217 H1300 S1303 | L1209-S1213 WeakPolarHBondContact O-CB 3.41Å; L1209-S1213 PolarHBondContact O-N 3.45Å; D1210-S1213 PolarHBondContact O-N 3.32Å; I1211-S1213 VanDerWaalsContact C-N 3.33Å; I1211-S1213 PolarHBondContact O-N 3.41Å; S1213-A1216 WeakPolarHBondContact O-CB 3.37Å; S1213-A1216 PolarHBondContact O-N 3.3Å; S1213-H1217 PolarHBondContact O-N 3.47Å; S1213-H1217 PolarHBondContact O-ND1 3.1Å; S1213-H1300 PolarHBondContact OG-CD2 3.4Å; S1213-S1303 PolarHBondContact OG-OG 3.37Å |
| 1214 | S | 89.1 | Confident | 81.1 | Confident | 18 Ų | 18 | 27.3 Ų | 27.3 | 13% | 0.126 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.9 | -40.2 | 174.4 | -77.4 | 0 | 0 | 0 | 0 | 112.5 | N1154 D1210 I1211 H1217 L1218 | N1154-S1214 PolarHBondContact OD1-OG 3.43Å; N1154-S1214 VanDerWaalsContact OD1-OG 3.1Å; D1210-S1214 WeakPolarHBondContact O-CB 3.42Å; D1210-S1214 PolarHBondContact O-N 3.31Å; D1210-S1214 PolarHBondContact O-OG 3.49Å; I1211-S1214 PolarHBondContact O-N 2.88Å; S1214-H1217 PolarHBondContact O-N 3.43Å; S1214-L1218 WeakPolarHBondContact O-CG 3.2Å; S1214-L1218 PolarHBondContact O-N 2.87Å |
| 1215 | C | 90.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 172.7 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | L1153 L1182 F1185 F1186 I1211 L1212 L1218 L1219 | L1153-C1215 WeakPolarHBondContact CD1-SG 3.47Å; L1182-C1215 HydrophobicContact CD2-CB 3.85Å; F1185-C1215 WeakPolarHBondContact CD2-SG 3.29Å; F1186-C1215 HydrophobicContact CE2-CB 3.67Å; F1186-C1215 HydrophobicContact CZ-CB 3.64Å; I1211-C1215 PolarHBondContact O-N 2.89Å; I1211-C1215 PolarHBondContact O-SG 3.38Å; L1212-C1215 PolarHBondContact O-N 3.16Å; C1215-L1218 PolarHBondContact O-N 3.17Å; C1215-L1219 WeakPolarHBondContact O-CG 3.32Å; C1215-L1219 PolarHBondContact O-N 3.02Å; C1215-L1219 VanDerWaalsContact O-N 3.11Å |
| 1216 | A | 85.6 | Confident | 81 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.6 | -53.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | F1186 L1212 S1213 L1218 L1219 Y1220 I1304 I1307 | F1186-A1216 HydrophobicContact CZ-CB 4.33Å; L1212-A1216 VanDerWaalsContact O-CB 3.31Å; L1212-A1216 WeakPolarHBondContact O-CB 3.36Å; L1212-A1216 PolarHBondContact O-N 3.4Å; S1213-A1216 WeakPolarHBondContact O-CB 3.37Å; S1213-A1216 PolarHBondContact O-N 3.3Å; A1216-L1218 VanDerWaalsContact C-N 3.27Å; A1216-L1218 PolarHBondContact O-N 3.29Å; A1216-L1218 VanDerWaalsContact O-N 3.16Å; A1216-L1219 PolarHBondContact O-N 3.03Å; A1216-Y1220 PolarHBondContact O-N 3.4Å; A1216-I1304 HydrophobicContact CB-CG1 4.01Å; A1216-I1307 HydrophobicContact CB-CD1 3.45Å; A1216-I1307 VanDerWaalsContact CB-CD1 3.45Å; A1216-I1307 WeakPolarHBondContact O-CD1 3.48Å |
| 1217 | H | 84.5 | Confident | 81 | Confident | 99 Ų | 99 | 31.6 Ų | 31.6 | 46% | 0.458 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -55.1 | -39.5 | 179.2 | -71.5 | 149.1 | 0 | 0 | 0 | 113.8 | S1213 S1214 Y1220 F1221 S1303 | S1213-H1217 PolarHBondContact O-N 3.47Å; S1213-H1217 PolarHBondContact O-ND1 3.1Å; S1214-H1217 PolarHBondContact O-N 3.43Å; H1217-Y1220 PolarHBondContact O-N 2.85Å; H1217-F1221 VanDerWaalsContact O-CB 3.24Å; H1217-F1221 WeakPolarHBondContact O-CB 3.38Å; H1217-F1221 PolarHBondContact O-N 3.28Å; H1217-S1303 WeakPolarHBondContact NE2-CB 3.05Å |
| 1218 | L | 88.1 | Confident | 80.4 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64 | -39.2 | 175.1 | -77.7 | 166.4 | 0 | 0 | 0 | 113.2 | W1116 L1153 A1156 A1157 F1160 M1178 L1182 S1214 C1215 A1216 P1222 | W1116-L1218 HydrophobicContact CH2-CD1 4.02Å; L1153-L1218 HydrophobicContact CB-CD1 4.24Å; L1153-L1218 HydrophobicContact CD2-CD1 3.8Å; A1156-L1218 HydrophobicContact CB-CD2 4.37Å; A1157-L1218 HydrophobicContact CB-CD2 3.87Å; A1157-L1218 HydrophobicContact CB-CG 4.32Å; F1160-L1218 HydrophobicContact CD2-CD2 3.72Å; F1160-L1218 HydrophobicContact CE2-CD2 4.2Å; M1178-L1218 HydrophobicContact CE-CB 4.15Å; M1178-L1218 HydrophobicContact CE-CD2 4.3Å; L1182-L1218 HydrophobicContact CD1-CB 4.17Å; L1182-L1218 HydrophobicContact CD2-CD1 4.19Å; S1214-L1218 WeakPolarHBondContact O-CG 3.2Å; S1214-L1218 PolarHBondContact O-N 2.87Å; C1215-L1218 PolarHBondContact O-N 3.17Å; A1216-L1218 VanDerWaalsContact C-N 3.27Å; A1216-L1218 PolarHBondContact O-N 3.29Å; A1216-L1218 VanDerWaalsContact O-N 3.16Å; L1218-P1222 WeakPolarHBondContact O-CD 3.43Å |
| 1219 | L | 86.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.7 | -31.3 | 176.3 | -68.1 | 161.6 | 0 | 0 | 0 | 112.1 | L1171 L1179 L1182 F1186 C1215 A1216 Y1238 L1243 F1247 I1307 | L1171-L1219 HydrophobicContact CD2-CD2 4.22Å; L1179-L1219 HydrophobicContact CD1-CD2 4.1Å; L1182-L1219 HydrophobicContact CB-CD1 4.16Å; L1182-L1219 HydrophobicContact CB-CD2 4.15Å; L1182-L1219 HydrophobicContact CB-CG 4.29Å; L1182-L1219 HydrophobicContact CD1-CD2 3.81Å; L1182-L1219 HydrophobicContact CD1-CG 3.93Å; F1186-L1219 HydrophobicContact CE2-CD1 3.9Å; C1215-L1219 WeakPolarHBondContact O-CG 3.32Å; C1215-L1219 PolarHBondContact O-N 3.02Å; C1215-L1219 VanDerWaalsContact O-N 3.11Å; A1216-L1219 PolarHBondContact O-N 3.03Å; L1219-Y1238 HydrophobicContact CB-CE2 4.29Å; L1219-Y1238 HydrophobicContact CD2-CE1 4.04Å; L1219-Y1238 HydrophobicContact CD2-CE2 4.43Å; L1219-Y1238 WeakPolarHBondContact O-CE2 3.14Å; L1219-Y1238 PolarHBondContact O-OH 3.48Å; L1219-L1243 HydrophobicContact CD1-CD1 4.31Å; L1219-L1243 HydrophobicContact CD1-CD2 4.07Å; L1219-L1243 HydrophobicContact CD2-CD2 4.25Å; L1219-F1247 HydrophobicContact CD1-CE1 4.01Å; L1219-F1247 HydrophobicContact CD1-CZ 3.74Å; L1219-I1307 HydrophobicContact CB-CD1 4.36Å |
| 1220 | Y | 81.7 | Confident | 79.4 | Confident | 51 Ų | 51 | 46.7 Ų | 46.7 | 20% | 0.2 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -80 | -31.4 | 177.3 | -169.3 | -124.5 | 0 | 0 | 0 | 113.4 | A1216 H1217 P1222 Y1223 K1224 I1307 K1310 | A1216-Y1220 PolarHBondContact O-N 3.4Å; H1217-Y1220 PolarHBondContact O-N 2.85Å; Y1220-P1222 VanDerWaalsContact C-CD 3.42Å; Y1220-P1222 VanDerWaalsContact C-N 3.33Å; Y1220-P1222 VanDerWaalsContact O-N 3.16Å; Y1220-Y1223 HydrophobicContact CD2-CD2 4.17Å; Y1220-Y1223 WeakPolarHBondContact O-CB 3.39Å; Y1220-Y1223 PolarHBondContact O-N 3.24Å; Y1220-K1224 HydrophobicContact CE1-CD 4.42Å; Y1220-K1224 VanDerWaalsContact CE1-CE 3.45Å; Y1220-K1224 HydrophobicContact CE1-CG 4.21Å; Y1220-I1307 HydrophobicContact CD2-CG1 4.09Å; Y1220-I1307 HydrophobicContact CG-CG1 4.17Å; Y1220-K1310 HydrophobicContact CE2-CG 4.41Å |
| 1221 | F | 80.1 | Confident | 78.8 | Confident | 36 Ų | 36 | 45.3 Ų | 45.3 | 16% | 0.158 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -49.1 | -42.9 | -171.8 | 176.7 | -91.2 | 0 | 0 | 0 | 114.5 | F1160 P1164 C1167 H1217 Y1223 K1224 N1225 | F1160-F1221 VanDerWaalsContact C-CZ 3.43Å; F1160-F1221 HydrophobicContact CB-CD1 4.18Å; F1160-F1221 HydrophobicContact CB-CE1 3.9Å; F1160-F1221 HydrophobicContact CB-CZ 4.39Å; F1160-F1221 WeakPolarHBondContact O-CE1 3.39Å; F1160-F1221 WeakPolarHBondContact O-CZ 3.04Å; P1164-F1221 HydrophobicContact CB-CE1 3.71Å; P1164-F1221 HydrophobicContact CB-CZ 3.94Å; P1164-F1221 HydrophobicContact CG-CE1 4.26Å; P1164-F1221 HydrophobicContact CG-CZ 3.97Å; C1167-F1221 HydrophobicContact CB-CD1 4.13Å; C1167-F1221 HydrophobicContact CB-CE1 4.31Å; H1217-F1221 VanDerWaalsContact O-CB 3.24Å; H1217-F1221 WeakPolarHBondContact O-CB 3.38Å; H1217-F1221 PolarHBondContact O-N 3.28Å; F1221-Y1223 VanDerWaalsContact C-N 3.32Å; F1221-Y1223 PolarHBondContact O-N 3.32Å; F1221-K1224 PolarHBondContact O-N 3.3Å; F1221-N1225 VanDerWaalsContact CZ-ND2 3.32Å; F1221-N1225 WeakPolarHBondContact CZ-ND2 3.17Å |
| 1222 | P | 77.6 | Confident | 78 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.5 | -38.9 | 174 | -30.6 | 37.8 | 0 | 0 | 0 | 115.1 | I1168 L1171 L1218 Y1220 K1224 N1225 A1226 L1234 | I1168-P1222 HydrophobicContact CG1-CB 3.97Å; I1168-P1222 HydrophobicContact CG1-CG 4.46Å; L1171-P1222 HydrophobicContact CD1-CG 3.5Å; L1171-P1222 VanDerWaalsContact CD1-CG 3.5Å; L1218-P1222 WeakPolarHBondContact O-CD 3.43Å; Y1220-P1222 VanDerWaalsContact C-CD 3.42Å; Y1220-P1222 VanDerWaalsContact C-N 3.33Å; Y1220-P1222 VanDerWaalsContact O-N 3.16Å; P1222-K1224 PolarHBondContact O-N 3.22Å; P1222-K1224 VanDerWaalsContact O-N 3.13Å; P1222-N1225 PolarHBondContact O-N 3.5Å; P1222-A1226 WeakPolarHBondContact O-CB 3.35Å; P1222-A1226 PolarHBondContact O-N 3.44Å; P1222-L1234 HydrophobicContact CB-CD1 3.31Å; P1222-L1234 HydrophobicContact CG-CD1 4.14Å |
| 1223 | Y | 71.8 | Confident | 77.4 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -21.6 | -175.7 | -74.3 | -80.4 | 0 | 0 | 0 | 113.4 | Y1220 F1221 Q1231 T1235 Y1238 | Y1220-Y1223 HydrophobicContact CD2-CD2 4.17Å; Y1220-Y1223 WeakPolarHBondContact O-CB 3.39Å; Y1220-Y1223 PolarHBondContact O-N 3.24Å; F1221-Y1223 VanDerWaalsContact C-N 3.32Å; F1221-Y1223 PolarHBondContact O-N 3.32Å; Y1223-Q1231 HydrophobicContact CD1-CB 4.23Å; Y1223-Q1231 HydrophobicContact CD1-CG 4.19Å; Y1223-Q1231 HydrophobicContact CE1-CB 4.3Å; Y1223-Q1231 PolarHBondContact O-NE2 2.87Å; Y1223-T1235 WeakPolarHBondContact CE1-OG1 3.47Å; Y1223-T1235 WeakPolarHBondContact OH-CA 2.94Å; Y1223-T1235 PolarHBondContact OH-N 2.97Å; Y1223-T1235 PolarHBondContact OH-OG1 3.16Å; Y1223-Y1238 HydrophobicContact CE2-CD2 4.29Å; Y1223-Y1238 AromaticContact CE2-CE2 3.85Å; Y1223-Y1238 HydrophobicContact CE2-CE2 3.85Å |
| 1224 | K | 69.6 | Low | 77.1 | Confident | 148 Ų | 148 | 47.5 Ų | 47.5 | 64% | 0.643 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -78.6 | -24.7 | 175.6 | -68 | -171.7 | 179.4 | -177.8 | 0 | 113.3 | Y1220 F1221 P1222 | Y1220-K1224 HydrophobicContact CE1-CD 4.42Å; Y1220-K1224 VanDerWaalsContact CE1-CE 3.45Å; Y1220-K1224 HydrophobicContact CE1-CG 4.21Å; F1221-K1224 PolarHBondContact O-N 3.3Å; P1222-K1224 PolarHBondContact O-N 3.22Å; P1222-K1224 VanDerWaalsContact O-N 3.13Å |
| 1225 | N | 66.8 | Low | 76.5 | Confident | 86 Ų | 86 | 46.7 Ų | 46.7 | 46% | 0.46 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -126.5 | -7.9 | -165.1 | -65.6 | -41.6 | 0 | 0 | 0 | 114.3 | P1164 F1221 P1222 | P1164-N1225 HydrophobicContact CB-CB 3.8Å; P1164-N1225 HydrophobicContact CG-CB 4.34Å; F1221-N1225 VanDerWaalsContact CZ-ND2 3.32Å; F1221-N1225 WeakPolarHBondContact CZ-ND2 3.17Å; P1222-N1225 PolarHBondContact O-N 3.5Å |
| 1226 | A | 67 | Low | 75.9 | Confident | 10 Ų | 10 | 50 Ų | 50 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | trans | -86.9 | 140.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112 | I1168 P1222 Q1231 | I1168-A1226 HydrophobicContact CD1-CB 3.71Å; I1168-A1226 HydrophobicContact CG1-CB 4.5Å; P1222-A1226 WeakPolarHBondContact O-CB 3.35Å; P1222-A1226 PolarHBondContact O-N 3.44Å; A1226-Q1231 HydrophobicContact CB-CG 3.77Å; A1226-Q1231 PolarHBondContact O-NE2 2.92Å | ||
| 1227 | D | 71.3 | Confident | 75.7 | Confident | 112 Ų | 112 | 51.4 Ų | 51.4 | 60% | 0.599 | 25% | 0.247 | S | C | * | . | trans | -61 | 156.9 | 164.6 | -59.4 | -41.3 | 0 | 0 | 0 | 110 | E1229 Y1230 Q1231 | D1227-E1229 PolarHBondContact O-N 2.65Å; D1227-E1229 VanDerWaalsContact O-N 3.14Å; D1227-Y1230 HydrophobicContact CB-CD2 4.16Å; D1227-Y1230 PolarHBondContact O-N 3.2Å; D1227-Q1231 PolarHBondContact O-N 3.03Å; D1227-Q1231 VanDerWaalsContact O-N 3.13Å | ||
| 1228 | E | 66.1 | Low | 75.8 | Confident | 97 Ų | 97 | 46.7 Ų | 46.7 | 45% | 0.453 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -52.8 | -39.2 | -175 | -168.2 | 171 | -168 | 0 | 0 | 112.8 | Y1230 Q1231 I1232 | E1228-Y1230 PolarHBondContact O-N 2.92Å; E1228-Q1231 PolarHBondContact O-N 3.38Å; E1228-I1232 HydrophobicContact CG-CD1 4.22Å; E1228-I1232 WeakPolarHBondContact O-CD1 3.45Å; E1228-I1232 VanDerWaalsContact O-CG1 3.24Å; E1228-I1232 WeakPolarHBondContact O-CG1 3.16Å; E1228-I1232 PolarHBondContact O-N 2.94Å |
| 1229 | E | 68.2 | Low | 75.4 | Confident | 159 Ų | 159 | 46.8 Ų | 46.8 | 74% | 0.743 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -58.5 | -43.3 | 176 | -171.4 | 177.4 | -175.7 | 0 | 0 | 113 | D1227 I1232 A1233 | D1227-E1229 PolarHBondContact O-N 2.65Å; D1227-E1229 VanDerWaalsContact O-N 3.14Å; E1229-I1232 PolarHBondContact O-N 3.38Å; E1229-A1233 PolarHBondContact O-N 2.94Å; E1229-A1233 VanDerWaalsContact O-N 3.09Å |
| 1230 | Y | 75.3 | Confident | 75.2 | Confident | 90 Ų | 90 | 51.2 Ų | 51.2 | 35% | 0.353 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71.5 | -36.3 | 177.9 | -73.9 | -65.5 | 0 | 0 | 0 | 111.9 | I1168 L1172 D1227 E1228 I1232 A1233 L1234 | I1168-Y1230 HydrophobicContact CG2-CD1 3.31Å; I1168-Y1230 HydrophobicContact CG2-CE1 3.85Å; I1168-Y1230 HydrophobicContact CG2-CG 3.75Å; L1172-Y1230 HydrophobicContact CD1-CD1 3.62Å; L1172-Y1230 HydrophobicContact CD1-CE1 4.24Å; D1227-Y1230 HydrophobicContact CB-CD2 4.16Å; D1227-Y1230 PolarHBondContact O-N 3.2Å; E1228-Y1230 PolarHBondContact O-N 2.92Å; Y1230-I1232 VanDerWaalsContact C-N 3.32Å; Y1230-I1232 PolarHBondContact O-N 3.39Å; Y1230-A1233 PolarHBondContact O-N 3.14Å; Y1230-L1234 WeakPolarHBondContact O-CB 3.28Å; Y1230-L1234 WeakPolarHBondContact O-CD1 3.48Å; Y1230-L1234 WeakPolarHBondContact O-CG 3.38Å; Y1230-L1234 PolarHBondContact O-N 3.28Å |
| 1231 | Q | 72.2 | Confident | 75.2 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 10% | 0.103 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.1 | -40.8 | 176.1 | -62.2 | -176.3 | 17.5 | 0 | 0 | 111.2 | Y1223 A1226 D1227 E1228 T1235 P1315 | Y1223-Q1231 HydrophobicContact CD1-CB 4.23Å; Y1223-Q1231 HydrophobicContact CD1-CG 4.19Å; Y1223-Q1231 HydrophobicContact CE1-CB 4.3Å; Y1223-Q1231 PolarHBondContact O-NE2 2.87Å; A1226-Q1231 HydrophobicContact CB-CG 3.77Å; A1226-Q1231 PolarHBondContact O-NE2 2.92Å; D1227-Q1231 PolarHBondContact O-N 3.03Å; D1227-Q1231 VanDerWaalsContact O-N 3.13Å; E1228-Q1231 PolarHBondContact O-N 3.38Å; Q1231-T1235 WeakPolarHBondContact O-CB 3.26Å; Q1231-T1235 PolarHBondContact O-N 3.43Å; Q1231-T1235 PolarHBondContact O-OG1 2.98Å; Q1231-P1315 HydrophobicContact CB-CG 4.31Å; Q1231-P1315 VanDerWaalsContact OE1-CG 3.29Å |
| 1232 | I | 71.1 | Confident | 75.5 | Confident | 19 Ų | 19 | 53.8 Ų | 53.8 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -51 | 174.3 | -66.8 | 160.4 | 0 | 0 | 0 | 110.4 | E1228 E1229 Y1230 L1234 T1235 K1236 L1333 T1336 L1337 | E1228-I1232 HydrophobicContact CG-CD1 4.22Å; E1228-I1232 WeakPolarHBondContact O-CD1 3.45Å; E1228-I1232 VanDerWaalsContact O-CG1 3.24Å; E1228-I1232 WeakPolarHBondContact O-CG1 3.16Å; E1228-I1232 PolarHBondContact O-N 2.94Å; E1229-I1232 PolarHBondContact O-N 3.38Å; Y1230-I1232 VanDerWaalsContact C-N 3.32Å; Y1230-I1232 PolarHBondContact O-N 3.39Å; I1232-L1234 PolarHBondContact O-N 2.94Å; I1232-T1235 PolarHBondContact O-N 3.38Å; I1232-K1236 PolarHBondContact O-N 3.23Å; I1232-L1333 HydrophobicContact CB-CD2 4.34Å; I1232-L1333 HydrophobicContact CD1-CD2 4.46Å; I1232-L1333 HydrophobicContact CD1-CG 4.47Å; I1232-L1333 HydrophobicContact CG1-CD2 3.5Å; I1232-L1333 VanDerWaalsContact CG1-CD2 3.5Å; I1232-L1333 HydrophobicContact CG1-CG 3.9Å; I1232-L1333 HydrophobicContact CG2-CD2 4.49Å; I1232-T1336 HydrophobicContact CD1-CG2 4.35Å; I1232-T1336 WeakPolarHBondContact CD1-OG1 3.34Å; I1232-L1337 HydrophobicContact CG2-CD1 4.01Å; I1232-L1337 HydrophobicContact CG2-CD2 3.35Å; I1232-L1337 HydrophobicContact CG2-CG 3.6Å |
| 1233 | A | 77.1 | Confident | 75.9 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1172 E1229 Y1230 K1236 V1237 | L1172-A1233 HydrophobicContact CD1-CB 4.04Å; L1172-A1233 HydrophobicContact CD2-CB 3.81Å; E1229-A1233 PolarHBondContact O-N 2.94Å; E1229-A1233 VanDerWaalsContact O-N 3.09Å; Y1230-A1233 PolarHBondContact O-N 3.14Å; A1233-K1236 WeakPolarHBondContact O-CB 3.45Å; A1233-K1236 PolarHBondContact O-N 3.25Å; A1233-V1237 WeakPolarHBondContact O-CG2 3.43Å; A1233-V1237 PolarHBondContact O-N 3.15Å |
| 1234 | L | 78.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -45 | 178.1 | -75 | 163 | 0 | 0 | 0 | 112 | L1171 L1172 P1222 Y1230 I1232 K1236 V1237 Y1238 | L1171-L1234 HydrophobicContact CB-CD2 3.76Å; L1171-L1234 HydrophobicContact CD1-CD2 4.17Å; L1172-L1234 HydrophobicContact CD1-CG 4.47Å; L1172-L1234 HydrophobicContact CD2-CD2 3.77Å; L1172-L1234 HydrophobicContact CD2-CG 3.91Å; L1172-L1234 HydrophobicContact CG-CD2 3.93Å; L1172-L1234 HydrophobicContact CG-CG 4.22Å; P1222-L1234 HydrophobicContact CB-CD1 3.31Å; P1222-L1234 HydrophobicContact CG-CD1 4.14Å; Y1230-L1234 WeakPolarHBondContact O-CB 3.28Å; Y1230-L1234 WeakPolarHBondContact O-CD1 3.48Å; Y1230-L1234 WeakPolarHBondContact O-CG 3.38Å; Y1230-L1234 PolarHBondContact O-N 3.28Å; I1232-L1234 PolarHBondContact O-N 2.94Å; L1234-K1236 VanDerWaalsContact C-N 3.28Å; L1234-K1236 PolarHBondContact O-N 2.82Å; L1234-V1237 PolarHBondContact O-N 3.48Å; L1234-Y1238 HydrophobicContact CD2-CE1 4.34Å; L1234-Y1238 WeakPolarHBondContact O-CB 3.33Å; L1234-Y1238 WeakPolarHBondContact O-CD1 3.11Å; L1234-Y1238 PolarHBondContact O-N 2.85Å |
| 1235 | T | 77.1 | Confident | 77.2 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 179.2 | -50.5 | 0 | 0 | 0 | 0 | 110.6 | Y1223 Q1231 I1232 Y1238 V1239 L1311 Y1345 | Y1223-T1235 WeakPolarHBondContact CE1-OG1 3.47Å; Y1223-T1235 WeakPolarHBondContact OH-CA 2.94Å; Y1223-T1235 PolarHBondContact OH-N 2.97Å; Y1223-T1235 PolarHBondContact OH-OG1 3.16Å; Q1231-T1235 WeakPolarHBondContact O-CB 3.26Å; Q1231-T1235 PolarHBondContact O-N 3.43Å; Q1231-T1235 PolarHBondContact O-OG1 2.98Å; I1232-T1235 PolarHBondContact O-N 3.38Å; T1235-Y1238 PolarHBondContact O-N 3.42Å; T1235-V1239 WeakPolarHBondContact O-CG2 3.02Å; T1235-V1239 PolarHBondContact O-N 2.78Å; T1235-L1311 HydrophobicContact CG2-CD2 4.28Å; T1235-Y1345 HydrophobicContact CG2-CE2 3.8Å; T1235-Y1345 WeakPolarHBondContact CG2-OH 3.34Å |
| 1236 | K | 77.2 | Confident | 78.1 | Confident | 69 Ų | 69 | 45.3 Ų | 45.3 | 30% | 0.3 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59 | -51.5 | 173.1 | -179.1 | -179.5 | 173.4 | -176.9 | 0 | 111.8 | I1232 A1233 L1234 Y1238 V1239 E1240 | I1232-K1236 PolarHBondContact O-N 3.23Å; A1233-K1236 WeakPolarHBondContact O-CB 3.45Å; A1233-K1236 PolarHBondContact O-N 3.25Å; L1234-K1236 VanDerWaalsContact C-N 3.28Å; L1234-K1236 PolarHBondContact O-N 2.82Å; K1236-Y1238 VanDerWaalsContact C-N 3.33Å; K1236-Y1238 PolarHBondContact O-N 3.4Å; K1236-V1239 PolarHBondContact O-N 2.84Å; K1236-E1240 WeakPolarHBondContact CE-OE1 3.34Å; K1236-E1240 IonicContact NZ-OE1 4Å; K1236-E1240 WeakPolarHBondContact O-CG 3.5Å; K1236-E1240 PolarHBondContact O-N 2.79Å |
| 1237 | V | 82.1 | Confident | 79.1 | Confident | 30 Ų | 30 | 44.9 Ų | 44.9 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | -179.8 | 168.7 | 0 | 0 | 0 | 0 | 111.8 | L1172 L1179 A1233 L1234 N1241 | L1172-V1237 HydrophobicContact CD2-CG2 3.95Å; L1179-V1237 HydrophobicContact CD2-CG1 3.35Å; A1233-V1237 WeakPolarHBondContact O-CG2 3.43Å; A1233-V1237 PolarHBondContact O-N 3.15Å; L1234-V1237 PolarHBondContact O-N 3.48Å; V1237-N1241 WeakPolarHBondContact O-CB 3.48Å; V1237-N1241 PolarHBondContact O-N 3.39Å; V1237-N1241 VanDerWaalsContact O-N 3.14Å; V1237-N1241 PolarHBondContact O-ND2 3.45Å |
| 1238 | Y | 85.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.1 | -38.4 | 179.9 | -70.3 | 1.2 | 0 | 0 | 0 | 112.6 | L1171 L1179 L1219 Y1223 L1234 T1235 K1236 N1241 H1242 L1243 L1311 | L1171-Y1238 WeakPolarHBondContact CD1-OH 3.24Å; L1171-Y1238 HydrophobicContact CD2-CE1 4.33Å; L1179-Y1238 HydrophobicContact CD1-CD1 3.88Å; L1179-Y1238 HydrophobicContact CD1-CE1 3.86Å; L1219-Y1238 HydrophobicContact CB-CE2 4.29Å; L1219-Y1238 HydrophobicContact CD2-CE1 4.04Å; L1219-Y1238 HydrophobicContact CD2-CE2 4.43Å; L1219-Y1238 WeakPolarHBondContact O-CE2 3.14Å; L1219-Y1238 PolarHBondContact O-OH 3.48Å; Y1223-Y1238 HydrophobicContact CE2-CD2 4.29Å; Y1223-Y1238 AromaticContact CE2-CE2 3.85Å; Y1223-Y1238 HydrophobicContact CE2-CE2 3.85Å; L1234-Y1238 HydrophobicContact CD2-CE1 4.34Å; L1234-Y1238 WeakPolarHBondContact O-CB 3.33Å; L1234-Y1238 WeakPolarHBondContact O-CD1 3.11Å; L1234-Y1238 PolarHBondContact O-N 2.85Å; T1235-Y1238 PolarHBondContact O-N 3.42Å; K1236-Y1238 VanDerWaalsContact C-N 3.33Å; K1236-Y1238 PolarHBondContact O-N 3.4Å; Y1238-N1241 PolarHBondContact O-N 3.03Å; Y1238-H1242 PolarHBondContact O-N 3.21Å; Y1238-L1243 HydrophobicContact CD1-CD2 4.17Å; Y1238-L1243 HydrophobicContact CD2-CD2 3.86Å; Y1238-L1243 HydrophobicContact CE2-CD2 4.38Å; Y1238-L1243 HydrophobicContact CG-CD2 3.74Å; Y1238-L1243 WeakPolarHBondContact O-CB 3.23Å; Y1238-L1243 PolarHBondContact O-N 2.93Å; Y1238-L1311 HydrophobicContact CD2-CD2 3.88Å; Y1238-L1311 HydrophobicContact CD2-CG 4.49Å; Y1238-L1311 HydrophobicContact CG-CD2 4.13Å |
| 1239 | V | 80.6 | Confident | 80.6 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.1 | -44.1 | 175 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | T1235 K1236 N1241 H1242 L1311 Y1345 T1348 L1349 Q1352 | T1235-V1239 WeakPolarHBondContact O-CG2 3.02Å; T1235-V1239 PolarHBondContact O-N 2.78Å; K1236-V1239 PolarHBondContact O-N 2.84Å; V1239-N1241 PolarHBondContact O-N 3.26Å; V1239-H1242 PolarHBondContact O-N 3.27Å; V1239-H1242 VanDerWaalsContact O-N 3.07Å; V1239-L1311 HydrophobicContact CG2-CD2 4.19Å; V1239-Y1345 HydrophobicContact CB-CD2 4.15Å; V1239-Y1345 HydrophobicContact CB-CE2 3.83Å; V1239-Y1345 HydrophobicContact CG1-CD2 4.22Å; V1239-Y1345 HydrophobicContact CG1-CE2 4.21Å; V1239-Y1345 HydrophobicContact CG2-CD2 4.21Å; V1239-Y1345 HydrophobicContact CG2-CE2 3.41Å; V1239-Y1345 VanDerWaalsContact CG2-CE2 3.41Å; V1239-T1348 HydrophobicContact CG1-CG2 3.76Å; V1239-L1349 HydrophobicContact CG1-CB 4.11Å; V1239-L1349 HydrophobicContact CG2-CD1 4.32Å; V1239-Q1352 PolarHBondContact O-NE2 3.06Å |
| 1240 | E | 81.2 | Confident | 81.4 | Confident | 93 Ų | 93 | 30.3 Ų | 30.3 | 44% | 0.435 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -59.1 | -27.1 | 174.5 | -73.4 | 174 | 175.9 | 0 | 0 | 112.5 | K1236 | K1236-E1240 WeakPolarHBondContact CE-OE1 3.34Å; K1236-E1240 IonicContact NZ-OE1 4Å; K1236-E1240 WeakPolarHBondContact O-CG 3.5Å; K1236-E1240 PolarHBondContact O-N 2.79Å |
| 1241 | N | 82 | Confident | 81.8 | Confident | 51 Ų | 51 | 26 Ų | 26 | 27% | 0.273 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 8.5 | 178.3 | -79.8 | -84.8 | 0 | 0 | 0 | 114.9 | L1179 K1183 V1237 Y1238 V1239 L1243 | L1179-N1241 HydrophobicContact CD2-CB 4.28Å; L1179-N1241 WeakPolarHBondContact CD2-ND2 3.49Å; K1183-N1241 HydrophobicContact CD-CB 4.43Å; K1183-N1241 WeakPolarHBondContact CE-O 3.24Å; K1183-N1241 PolarHBondContact NZ-O 3.36Å; V1237-N1241 WeakPolarHBondContact O-CB 3.48Å; V1237-N1241 PolarHBondContact O-N 3.39Å; V1237-N1241 VanDerWaalsContact O-N 3.14Å; V1237-N1241 PolarHBondContact O-ND2 3.45Å; Y1238-N1241 PolarHBondContact O-N 3.03Å; V1239-N1241 PolarHBondContact O-N 3.26Å; N1241-L1243 PolarHBondContact O-N 3.4Å |
| 1242 | H | 86 | Confident | 82.3 | Confident | 90 Ų | 90 | 25.1 Ų | 25.1 | 42% | 0.417 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 30.2 | 178.2 | -61.1 | -93.7 | 0 | 0 | 0 | 114.9 | Y1238 V1239 L1244 T1245 H1246 Q1352 | Y1238-H1242 PolarHBondContact O-N 3.21Å; V1239-H1242 PolarHBondContact O-N 3.27Å; V1239-H1242 VanDerWaalsContact O-N 3.07Å; H1242-L1244 VanDerWaalsContact C-N 3.3Å; H1242-L1244 PolarHBondContact O-N 3.18Å; H1242-T1245 PolarHBondContact O-N 3.24Å; H1242-H1246 PolarHBondContact O-CD2 3.16Å; H1242-H1246 PolarHBondContact O-N 2.84Å; H1242-Q1352 WeakPolarHBondContact ND1-CG 3.41Å |
| 1243 | L | 86.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.2 | -32.3 | -171.5 | -165.8 | 67.1 | 0 | 0 | 0 | 113 | K1183 L1219 Y1238 N1241 T1245 H1246 F1247 L1311 | K1183-L1243 HydrophobicContact CB-CD1 4.26Å; K1183-L1243 HydrophobicContact CG-CD1 4.47Å; L1219-L1243 HydrophobicContact CD1-CD1 4.31Å; L1219-L1243 HydrophobicContact CD1-CD2 4.07Å; L1219-L1243 HydrophobicContact CD2-CD2 4.25Å; Y1238-L1243 HydrophobicContact CD1-CD2 4.17Å; Y1238-L1243 HydrophobicContact CD2-CD2 3.86Å; Y1238-L1243 HydrophobicContact CE2-CD2 4.38Å; Y1238-L1243 HydrophobicContact CG-CD2 3.74Å; Y1238-L1243 WeakPolarHBondContact O-CB 3.23Å; Y1238-L1243 PolarHBondContact O-N 2.93Å; N1241-L1243 PolarHBondContact O-N 3.4Å; L1243-T1245 PolarHBondContact O-N 3.18Å; L1243-H1246 PolarHBondContact O-N 3.48Å; L1243-F1247 HydrophobicContact CB-CE2 4.4Å; L1243-F1247 HydrophobicContact CD1-CE1 4.31Å; L1243-F1247 HydrophobicContact CD1-CE2 4.43Å; L1243-F1247 HydrophobicContact CD1-CZ 4.04Å; L1243-F1247 HydrophobicContact CD2-CE2 3.68Å; L1243-F1247 HydrophobicContact CD2-CZ 3.61Å; L1243-F1247 HydrophobicContact CG-CD2 4.15Å; L1243-F1247 HydrophobicContact CG-CE1 4.19Å; L1243-F1247 HydrophobicContact CG-CE2 3.47Å; L1243-F1247 VanDerWaalsContact CG-CE2 3.47Å; L1243-F1247 HydrophobicContact CG-CZ 3.51Å; L1243-F1247 VanDerWaalsContact O-CD2 3.23Å; L1243-F1247 WeakPolarHBondContact O-CD2 3.16Å; L1243-F1247 WeakPolarHBondContact O-CG 3.37Å; L1243-F1247 PolarHBondContact O-N 3.04Å; L1243-L1311 HydrophobicContact CB-CD1 4.22Å; L1243-L1311 HydrophobicContact CD2-CD1 4.26Å; L1243-L1311 HydrophobicContact CG-CD1 4.46Å |
| 1244 | L | 85.7 | Confident | 82.5 | Confident | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.2 | -48.3 | 174.1 | 173.4 | 63.7 | 0 | 0 | 0 | 111.9 | H1242 H1246 F1247 I1248 A1308 C1312 L1349 L1353 L1356 | H1242-L1244 VanDerWaalsContact C-N 3.3Å; H1242-L1244 PolarHBondContact O-N 3.18Å; L1244-H1246 VanDerWaalsContact C-N 3.33Å; L1244-H1246 PolarHBondContact O-N 3.35Å; L1244-F1247 PolarHBondContact O-N 3.43Å; L1244-I1248 HydrophobicContact CD1-CG1 4.28Å; L1244-I1248 WeakPolarHBondContact O-CG1 3.32Å; L1244-I1248 PolarHBondContact O-N 3.32Å; L1244-I1248 VanDerWaalsContact O-N 3.11Å; L1244-A1308 HydrophobicContact CD1-CB 3.9Å; L1244-A1308 WeakPolarHBondContact CD1-O 3.39Å; L1244-C1312 WeakPolarHBondContact CD1-SG 3.1Å; L1244-C1312 WeakPolarHBondContact CD2-SG 3.34Å; L1244-L1349 HydrophobicContact CD2-CD1 3.79Å; L1244-L1353 HydrophobicContact CD2-CD2 3.78Å; L1244-L1353 HydrophobicContact CD2-CG 4.36Å; L1244-L1356 HydrophobicContact CD2-CD1 4.21Å; L1244-L1356 HydrophobicContact CG-CD1 3.98Å |
| 1245 | T | 83.9 | Confident | 82.3 | Confident | 25 Ų | 25 | 23.5 Ų | 23.5 | 15% | 0.153 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | -179.2 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | H1242 L1243 I1248 H1249 L1356 | H1242-T1245 PolarHBondContact O-N 3.24Å; L1243-T1245 PolarHBondContact O-N 3.18Å; T1245-I1248 PolarHBondContact O-N 3.46Å; T1245-H1249 WeakPolarHBondContact O-CB 3.45Å; T1245-H1249 VanDerWaalsContact O-CG 3.31Å; T1245-H1249 PolarHBondContact O-N 3.13Å; T1245-L1356 HydrophobicContact CG2-CD2 3.94Å; T1245-L1356 HydrophobicContact CG2-CG 4.33Å |
| 1246 | H | 86.2 | Confident | 81.9 | Confident | 43 Ų | 43 | 26.1 Ų | 26.1 | 20% | 0.199 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 176.6 | -68 | -63.6 | 0 | 0 | 0 | 112.8 | K1183 F1186 H1242 L1243 L1244 S1250 | K1183-H1246 WeakPolarHBondContact CE-NE2 3.17Å; F1186-H1246 HydrophobicContact CB-CB 3.68Å; H1242-H1246 PolarHBondContact O-CD2 3.16Å; H1242-H1246 PolarHBondContact O-N 2.84Å; L1243-H1246 PolarHBondContact O-N 3.48Å; L1244-H1246 VanDerWaalsContact C-N 3.33Å; L1244-H1246 PolarHBondContact O-N 3.35Å; H1246-S1250 VanDerWaalsContact O-CB 3.26Å; H1246-S1250 WeakPolarHBondContact O-CB 3.36Å; H1246-S1250 PolarHBondContact O-N 3.46Å; H1246-S1250 PolarHBondContact O-OG 3.13Å |
| 1247 | F | 87.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 175.9 | -67 | -41.4 | 0 | 0 | 0 | 112.4 | F1186 L1219 L1243 L1244 S1250 L1251 I1304 I1307 A1308 L1311 | F1186-F1247 AromaticContact CD1-CD1 3.59Å; F1186-F1247 HydrophobicContact CD1-CD1 3.59Å; F1186-F1247 HydrophobicContact CD1-CE1 4Å; F1186-F1247 AromaticContact CD2-CD1 4Å; F1186-F1247 HydrophobicContact CD2-CD1 4Å; F1186-F1247 AromaticContact CD2-CE1 3.7Å; F1186-F1247 HydrophobicContact CD2-CE1 3.7Å; F1186-F1247 AromaticContact CE1-CD1 3.62Å; F1186-F1247 HydrophobicContact CE1-CD1 3.62Å; F1186-F1247 AromaticContact CE1-CE1 3.73Å; F1186-F1247 HydrophobicContact CE1-CE1 3.73Å; F1186-F1247 HydrophobicContact CE2-CD1 4.07Å; F1186-F1247 AromaticContact CE2-CE1 3.45Å; F1186-F1247 HydrophobicContact CE2-CE1 3.45Å; F1186-F1247 VanDerWaalsContact CE2-CE1 3.45Å; F1186-F1247 HydrophobicContact CE2-CZ 4.49Å; F1186-F1247 AromaticContact CG-CD1 3.8Å; F1186-F1247 HydrophobicContact CG-CD1 3.8Å; F1186-F1247 HydrophobicContact CG-CE1 4Å; F1186-F1247 AromaticContact CZ-CD1 3.88Å; F1186-F1247 HydrophobicContact CZ-CD1 3.88Å; F1186-F1247 AromaticContact CZ-CE1 3.46Å; F1186-F1247 HydrophobicContact CZ-CE1 3.46Å; F1186-F1247 VanDerWaalsContact CZ-CE1 3.46Å; L1219-F1247 HydrophobicContact CD1-CE1 4.01Å; L1219-F1247 HydrophobicContact CD1-CZ 3.74Å; L1243-F1247 HydrophobicContact CB-CE2 4.4Å; L1243-F1247 HydrophobicContact CD1-CE1 4.31Å; L1243-F1247 HydrophobicContact CD1-CE2 4.43Å; L1243-F1247 HydrophobicContact CD1-CZ 4.04Å; L1243-F1247 HydrophobicContact CD2-CE2 3.68Å; L1243-F1247 HydrophobicContact CD2-CZ 3.61Å; L1243-F1247 HydrophobicContact CG-CD2 4.15Å; L1243-F1247 HydrophobicContact CG-CE1 4.19Å; L1243-F1247 HydrophobicContact CG-CE2 3.47Å; L1243-F1247 VanDerWaalsContact CG-CE2 3.47Å; L1243-F1247 HydrophobicContact CG-CZ 3.51Å; L1243-F1247 VanDerWaalsContact O-CD2 3.23Å; L1243-F1247 WeakPolarHBondContact O-CD2 3.16Å; L1243-F1247 WeakPolarHBondContact O-CG 3.37Å; L1243-F1247 PolarHBondContact O-N 3.04Å; L1244-F1247 PolarHBondContact O-N 3.43Å; F1247-S1250 PolarHBondContact O-OG 3.38Å; F1247-L1251 WeakPolarHBondContact O-CG 3.3Å; F1247-L1251 PolarHBondContact O-N 3.23Å; F1247-I1304 HydrophobicContact CB-CG2 4.11Å; F1247-I1304 HydrophobicContact CD1-CG2 4.07Å; F1247-I1304 HydrophobicContact CG-CG2 4.35Å; F1247-I1307 HydrophobicContact CD2-CG2 4.45Å; F1247-I1307 HydrophobicContact CE2-CB 3.96Å; F1247-I1307 HydrophobicContact CE2-CG2 3.44Å; F1247-I1307 VanDerWaalsContact CE2-CG2 3.44Å; F1247-I1307 HydrophobicContact CZ-CB 4.2Å; F1247-I1307 HydrophobicContact CZ-CG2 3.71Å; F1247-A1308 HydrophobicContact CB-CB 3.91Å; F1247-A1308 HydrophobicContact CD2-CB 3.98Å; F1247-A1308 HydrophobicContact CG-CB 4.35Å; F1247-L1311 HydrophobicContact CD2-CD1 4.16Å; F1247-L1311 HydrophobicContact CE2-CD1 3.77Å |
| 1248 | I | 86 | Confident | 79.9 | Confident | 9 Ų | 9 | 24 Ų | 24 | 5% | 0.046 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.2 | -45.6 | -179.3 | -62.4 | -61.3 | 0 | 0 | 0 | 111.2 | L1244 T1245 S1250 L1251 C1252 L1305 A1308 L1356 T1372 L1375 | L1244-I1248 HydrophobicContact CD1-CG1 4.28Å; L1244-I1248 WeakPolarHBondContact O-CG1 3.32Å; L1244-I1248 PolarHBondContact O-N 3.32Å; L1244-I1248 VanDerWaalsContact O-N 3.11Å; T1245-I1248 PolarHBondContact O-N 3.46Å; I1248-S1250 PolarHBondContact O-N 3.21Å; I1248-L1251 PolarHBondContact O-N 2.88Å; I1248-C1252 PolarHBondContact O-N 3.21Å; I1248-C1252 PolarHBondContact O-SG 2.7Å; I1248-L1305 HydrophobicContact CD1-CD2 4.42Å; I1248-A1308 HydrophobicContact CD1-CB 4.33Å; I1248-L1356 HydrophobicContact CB-CD1 4.49Å; I1248-L1356 HydrophobicContact CB-CD2 4.01Å; I1248-L1356 HydrophobicContact CG1-CD1 4.27Å; I1248-L1356 HydrophobicContact CG2-CD2 3.94Å; I1248-T1372 HydrophobicContact CG2-CG2 3.77Å; I1248-L1375 HydrophobicContact CD1-CD2 4.29Å; I1248-L1375 HydrophobicContact CG2-CD2 4.32Å |
| 1249 | H | 82.9 | Confident | 78.2 | Confident | 54 Ų | 54 | 29.6 Ų | 29.6 | 25% | 0.25 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 178.3 | -72.4 | -174.6 | 0 | 0 | 0 | 112.7 | T1245 C1252 N1253 L1356 | T1245-H1249 WeakPolarHBondContact O-CB 3.45Å; T1245-H1249 VanDerWaalsContact O-CG 3.31Å; T1245-H1249 PolarHBondContact O-N 3.13Å; H1249-C1252 WeakPolarHBondContact O-CB 3.25Å; H1249-C1252 PolarHBondContact O-N 3.49Å; H1249-N1253 PolarHBondContact O-N 3.11Å; H1249-L1356 WeakPolarHBondContact NE2-CD2 3.41Å |
| 1250 | S | 84.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 177.2 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | H1246 F1247 I1248 C1252 N1253 I1254 | H1246-S1250 VanDerWaalsContact O-CB 3.26Å; H1246-S1250 WeakPolarHBondContact O-CB 3.36Å; H1246-S1250 PolarHBondContact O-N 3.46Å; H1246-S1250 PolarHBondContact O-OG 3.13Å; F1247-S1250 PolarHBondContact O-OG 3.38Å; I1248-S1250 PolarHBondContact O-N 3.21Å; S1250-C1252 PolarHBondContact O-N 3.17Å; S1250-N1253 PolarHBondContact O-N 3.23Å; S1250-I1254 WeakPolarHBondContact O-CD1 3.16Å; S1250-I1254 WeakPolarHBondContact O-CG1 3.4Å; S1250-I1254 PolarHBondContact O-N 3.32Å |
| 1251 | L | 84.7 | Confident | 74 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 173.6 | -67 | 173.5 | 0 | 0 | 0 | 111.6 | F1247 I1248 N1253 I1254 Y1255 T1301 I1304 L1305 L1375 | F1247-L1251 WeakPolarHBondContact O-CG 3.3Å; F1247-L1251 PolarHBondContact O-N 3.23Å; I1248-L1251 PolarHBondContact O-N 2.88Å; L1251-N1253 VanDerWaalsContact C-N 3.33Å; L1251-N1253 PolarHBondContact O-N 3Å; L1251-I1254 PolarHBondContact O-N 3.46Å; L1251-Y1255 HydrophobicContact CD2-CE2 4.12Å; L1251-Y1255 WeakPolarHBondContact O-CD2 3.47Å; L1251-Y1255 PolarHBondContact O-N 2.88Å; L1251-T1301 HydrophobicContact CD2-CG2 4.25Å; L1251-I1304 HydrophobicContact CD1-CB 4.41Å; L1251-I1304 HydrophobicContact CD1-CG2 3.92Å; L1251-I1304 HydrophobicContact CD2-CB 4.22Å; L1251-I1304 HydrophobicContact CD2-CD1 3.9Å; L1251-I1304 HydrophobicContact CD2-CG2 4.12Å; L1251-I1304 HydrophobicContact CG-CG2 3.96Å; L1251-L1305 HydrophobicContact CD1-CD2 3.47Å; L1251-L1305 VanDerWaalsContact CD1-CD2 3.47Å; L1251-L1305 HydrophobicContact CD1-CG 3.65Å; L1251-L1375 HydrophobicContact CB-CD2 3.98Å; L1251-L1375 HydrophobicContact CD1-CD2 4.14Å |
| 1252 | C | 82.1 | Confident | 71.6 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.9 | -41.9 | 177.3 | -69.8 | 0 | 0 | 0 | 0 | 112.9 | I1248 H1249 S1250 N1256 L1257 A1371 | I1248-C1252 PolarHBondContact O-N 3.21Å; I1248-C1252 PolarHBondContact O-SG 2.7Å; H1249-C1252 WeakPolarHBondContact O-CB 3.25Å; H1249-C1252 PolarHBondContact O-N 3.49Å; S1250-C1252 PolarHBondContact O-N 3.17Å; C1252-N1256 PolarHBondContact O-N 3.48Å; C1252-L1257 PolarHBondContact O-N 3.32Å; C1252-A1371 HydrophobicContact CB-CB 3.78Å |
| 1253 | N | 76.6 | Confident | 68.9 | Low | 16 Ų | 16 | 39.8 Ų | 39.8 | 9% | 0.086 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69 | -41.5 | 175.5 | -173.4 | -5.8 | 0 | 0 | 0 | 111.6 | T1188 R1195 H1249 S1250 L1251 Y1255 N1256 | T1188-N1253 VanDerWaalsContact CG2-ND2 3.25Å; T1188-N1253 WeakPolarHBondContact CG2-ND2 3.49Å; R1195-N1253 PolarHBondContact NH1-O 3.36Å; R1195-N1253 PolarHBondContact NH1-OD1 3.45Å; H1249-N1253 PolarHBondContact O-N 3.11Å; S1250-N1253 PolarHBondContact O-N 3.23Å; L1251-N1253 VanDerWaalsContact C-N 3.33Å; L1251-N1253 PolarHBondContact O-N 3Å; N1253-Y1255 VanDerWaalsContact C-N 3.34Å; N1253-Y1255 PolarHBondContact O-N 3.21Å; N1253-N1256 PolarHBondContact O-N 2.92Å |
| 1254 | I | 75.3 | Confident | 66.1 | Low | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.6 | -45.2 | -179.6 | -69.4 | 160.9 | 0 | 0 | 0 | 111.4 | I1191 R1195 T1205 L1209 L1212 S1250 L1251 N1256 | I1191-I1254 HydrophobicContact CG2-CG1 4.5Å; R1195-I1254 VanDerWaalsContact NH2-CA 3.26Å; R1195-I1254 PolarHBondContact NH2-O 3.49Å; T1205-I1254 HydrophobicContact CG2-CG2 4.06Å; L1209-I1254 HydrophobicContact CD1-CG2 4.19Å; L1209-I1254 HydrophobicContact CD2-CD1 3.78Å; L1209-I1254 HydrophobicContact CD2-CG2 4.03Å; L1209-I1254 HydrophobicContact CG-CG2 4.18Å; L1212-I1254 HydrophobicContact CD1-CD1 3.28Å; L1212-I1254 HydrophobicContact CD1-CG1 4.32Å; S1250-I1254 WeakPolarHBondContact O-CD1 3.16Å; S1250-I1254 WeakPolarHBondContact O-CG1 3.4Å; S1250-I1254 PolarHBondContact O-N 3.32Å; L1251-I1254 PolarHBondContact O-N 3.46Å; I1254-N1256 PolarHBondContact O-N 3.01Å |
| 1255 | Y | 75.2 | Confident | 63.4 | Low | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 10 | 177.9 | -62.3 | -66.1 | 0 | 0 | 0 | 113.9 | L1251 N1253 L1257 I1286 L1288 L1291 L1297 T1301 | L1251-Y1255 HydrophobicContact CD2-CE2 4.12Å; L1251-Y1255 WeakPolarHBondContact O-CD2 3.47Å; L1251-Y1255 PolarHBondContact O-N 2.88Å; N1253-Y1255 VanDerWaalsContact C-N 3.34Å; N1253-Y1255 PolarHBondContact O-N 3.21Å; Y1255-L1257 PolarHBondContact O-N 2.94Å; Y1255-I1286 CarbonylContact C-O 3.57Å; Y1255-I1286 WeakPolarHBondContact CA-O 3.15Å; Y1255-I1286 HydrophobicContact CD1-CG2 3.72Å; Y1255-I1286 HydrophobicContact CE1-CG2 3.58Å; Y1255-L1288 HydrophobicContact CD1-CD2 4.43Å; Y1255-L1288 HydrophobicContact CD2-CD2 3.97Å; Y1255-L1288 HydrophobicContact CG-CD2 3.93Å; Y1255-L1288 HydrophobicContact CG-CG 4.36Å; Y1255-L1291 HydrophobicContact CD1-CD1 4.41Å; Y1255-L1291 HydrophobicContact CE1-CD1 3.88Å; Y1255-L1291 HydrophobicContact CE1-CD2 4.15Å; Y1255-L1291 HydrophobicContact CE1-CG 3.96Å; Y1255-L1291 HydrophobicContact CE2-CD1 4.34Å; Y1255-L1297 HydrophobicContact CE1-CD2 4.14Å; Y1255-L1297 HydrophobicContact CE1-CG 4.49Å; Y1255-T1301 HydrophobicContact CE2-CG2 4.32Å; Y1255-T1301 PolarHBondContact OH-OG1 3.18Å |
| 1256 | N | 68.1 | Low | 60.7 | Low | 56 Ų | 56 | 67.6 Ų | 67.6 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 34.6 | 175.5 | -157.3 | 33.1 | 0 | 0 | 0 | 114.1 | C1252 N1253 I1254 T1258 N1259 | C1252-N1256 PolarHBondContact O-N 3.48Å; N1253-N1256 PolarHBondContact O-N 2.92Å; I1254-N1256 PolarHBondContact O-N 3.01Å; N1256-T1258 VanDerWaalsContact C-N 3.26Å; N1256-T1258 PolarHBondContact O-N 3.48Å; N1256-N1259 WeakPolarHBondContact OD1-CB 3.37Å; N1256-N1259 PolarHBondContact OD1-ND2 3.49Å |
| 1257 | L | 61.6 | Low | 58 | Low | 18 Ų | 18 | 73.1 Ų | 73.1 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -17.5 | -173.8 | -59.1 | 179.4 | 0 | 0 | 0 | 112.8 | C1252 Y1255 L1288 A1371 E1374 L1375 | C1252-L1257 PolarHBondContact O-N 3.32Å; Y1255-L1257 PolarHBondContact O-N 2.94Å; L1257-L1288 HydrophobicContact CD1-CD1 3.79Å; L1257-L1288 HydrophobicContact CD1-CG 4.29Å; L1257-L1288 HydrophobicContact CD2-CD1 3.71Å; L1257-L1288 HydrophobicContact CD2-CG 4.01Å; L1257-L1288 HydrophobicContact CG-CD1 4.39Å; L1257-A1371 HydrophobicContact CB-CB 3.43Å; L1257-A1371 VanDerWaalsContact CB-CB 3.43Å; L1257-A1371 HydrophobicContact CD1-CB 4.48Å; L1257-A1371 WeakPolarHBondContact CD1-O 3.41Å; L1257-E1374 HydrophobicContact CD1-CB 4.38Å; L1257-L1375 HydrophobicContact CD1-CB 4.33Å |
| 1258 | T | 56.1 | Low | 55.2 | Low | 38 Ų | 38 | 77.9 Ų | 77.9 | 23% | 0.233 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -20.1 | -179.6 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | N1256 S1260 A1371 | N1256-T1258 VanDerWaalsContact C-N 3.26Å; N1256-T1258 PolarHBondContact O-N 3.48Å; T1258-S1260 PolarHBondContact O-N 3.35Å; T1258-A1371 HydrophobicContact CG2-CB 3.84Å |
| 1259 | N | 50.6 | Low | 52.4 | Low | 117 Ų | 117 | 84.2 Ų | 84.2 | 63% | 0.626 | 44% | 0.435 | S | S | * | . | trans | -87.2 | 56 | -172.3 | -91.4 | -33.9 | 0 | 0 | 0 | 114.8 | N1256 | N1256-N1259 WeakPolarHBondContact OD1-CB 3.37Å; N1256-N1259 PolarHBondContact OD1-ND2 3.49Å | ||
| 1260 | S | 39.5 | Very low | 49.9 | Very low | 55 Ų | 55 | 90 Ų | 90 | 39% | 0.385 | 47% | 0.468 | S | S | . | . | trans | -94.4 | 11 | 177.1 | 61.2 | 0 | 0 | 0 | 0 | 116.3 | T1258 K1370 | T1258-S1260 PolarHBondContact O-N 3.35Å; S1260-K1370 PolarHBondContact OG-NZ 2.94Å | ||
| 1261 | H | 34 | Very low | 47.3 | Very low | 166 Ų | 166 | 95.3 Ų | 95.3 | 77% | 0.769 | 50% | 0.5 | S | S | * | . | trans | -131.2 | 71.9 | 175.9 | -78.1 | -71.1 | 0 | 0 | 0 | 114.5 | ||||
| 1262 | T | 30.4 | Very low | 44.5 | Very low | 134 Ų | 134 | 105.3 Ų | 105.3 | 82% | 0.822 | 54% | 0.539 | S | S | * | . | trans | -126.5 | 60.7 | 141.5 | 44.5 | 0 | 0 | 0 | 0 | 109.2 | Y1264 | T1262-Y1264 PolarHBondContact O-N 3.1Å; T1262-Y1264 VanDerWaalsContact O-N 3.1Å | ||
| 1263 | S | 29.7 | Very low | 42 | Very low | 94 Ų | 94 | 113 Ų | 113 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | trans | -67.7 | 104.2 | 159.1 | 65.7 | 0 | 0 | 0 | 0 | 108 | K1265 | S1263-K1265 PolarHBondContact O-N 2.69Š| ||
| 1264 | Y | 26.9 | Very low | 39.6 | Very low | 218 Ų | 218 | 119.5 Ų | 119.5 | 86% | 0.855 | 61% | 0.614 | S | S | * | * | trans | 1.5 | 89 | 149.4 | -80.8 | -97.5 | 0 | 0 | 0 | 115.2 | T1262 K1266 | T1262-Y1264 PolarHBondContact O-N 3.1Å; T1262-Y1264 VanDerWaalsContact O-N 3.1Å; Y1264-K1266 PolarHBondContact O-N 3.17Å | ||
| 1265 | K | 29 | Very low | 37.4 | Very low | 205 Ų | 205 | 125.4 Ų | 125.4 | 89% | 0.891 | 65% | 0.646 | S | S | * | * | trans | -82.4 | 98 | 147 | -94.6 | -174.5 | 176.7 | 177.5 | 0 | 106.5 | S1263 N1267 | S1263-K1265 PolarHBondContact O-N 2.69Å; K1265-N1267 PolarHBondContact O-N 3.02Å | ||
| 1266 | K | 27.7 | Very low | 35.1 | Very low | 190 Ų | 190 | 129.7 Ų | 129.7 | 83% | 0.826 | 68% | 0.677 | S | S | * | * | trans | -51.2 | 101.7 | 159.7 | -78.5 | 177.4 | 172 | 179.6 | 0 | 108.2 | Y1264 | Y1264-K1266 PolarHBondContact O-N 3.17Š| ||
| 1267 | N | 29.7 | Very low | 33.3 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 85% | 0.85 | 70% | 0.701 | S | S | * | * | trans | -118.6 | 105.6 | 150.1 | -95.5 | -1 | 0 | 0 | 0 | 106.6 | K1265 | K1265-N1267 PolarHBondContact O-N 3.02Š| ||
| 1268 | S | 29.5 | Very low | 31.9 | Very low | 99 Ų | 99 | 141 Ų | 141 | 69% | 0.692 | 73% | 0.733 | S | S | * | * | trans | -58.3 | 147.9 | 166.7 | 42.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1269 | N | 27.4 | Very low | 30.7 | Very low | 143 Ų | 143 | 143 Ų | 143 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | trans | 91.7 | 76.4 | 169.9 | -50.5 | -10.9 | 0 | 0 | 0 | 115 | ||||
| 1270 | N | 29.7 | Very low | 29.6 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 93% | 0.93 | 75% | 0.753 | S | S | * | * | -160.9 | 97.7 | 128.6 | -95.6 | -15.1 | 0 | 0 | 0 | 109.1 | |||||
| 1271 | T | 29 | Very low | 29.3 | Very low | 112 Ų | 112 | 151.9 Ų | 151.9 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | trans | -79 | 150 | 174.2 | 38.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1272 | Y | 27.4 | Very low | 29.4 | Very low | 210 Ų | 210 | 149.7 Ų | 149.7 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | 82.8 | 88.5 | 167.4 | -52.1 | -76.5 | 0 | 0 | 0 | 117.5 | ||||
| 1273 | L | 28.1 | Very low | 29.8 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | S | Bend | -172.6 | 134.8 | 125.3 | -97 | 147.2 | 0 | 0 | 0 | 111 | N1275 | L1273-N1275 PolarHBondContact O-N 3.21Š| |
| 1274 | N | 26.7 | Very low | 30.5 | Very low | 152 Ų | 152 | 152.4 Ų | 152.4 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -43.1 | 114.5 | -166.4 | -73.4 | -36.6 | 0 | 0 | 0 | 117 | ||||
| 1275 | N | 28.3 | Very low | 31.7 | Very low | 126 Ų | 126 | 147 Ų | 147 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | trans | -115.7 | 21.4 | 177.8 | -107.7 | -28.6 | 0 | 0 | 0 | 113.9 | L1273 | L1273-N1275 PolarHBondContact O-N 3.21Š| ||
| 1276 | S | 27.1 | Very low | 33.1 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -97.1 | -1.1 | -167 | 57.2 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1277 | I | 30.2 | Very low | 34.8 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 81% | 0.805 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -120.3 | -15.2 | -177.8 | -60.3 | 179.2 | 0 | 0 | 0 | 114.2 | ||
| 1278 | I | 32.1 | Very low | 36.7 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -101.7 | -14.6 | -176 | -63.4 | 174.3 | 0 | 0 | 0 | 113.3 | ||
| 1279 | N | 30.8 | Very low | 38.5 | Very low | 82 Ų | 82 | 129 Ų | 129 | 44% | 0.439 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -95 | 1.5 | -170.2 | -89.6 | -41.2 | 0 | 0 | 0 | 117.1 | ||
| 1280 | N | 29.4 | Very low | 40.4 | Very low | 155 Ų | 155 | 123.9 Ų | 123.9 | 83% | 0.829 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -114.5 | 6.6 | -172.6 | -84.3 | -11.7 | 0 | 0 | 0 | 116.7 | ||
| 1281 | K | 32.8 | Very low | 42.3 | Very low | 203 Ų | 203 | 115.6 Ų | 115.6 | 88% | 0.883 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -118.2 | -5.6 | 178.1 | -79.6 | -173.2 | 175.7 | -178.6 | 0 | 116.9 | ||
| 1282 | C | 36.3 | Very low | 44.1 | Very low | 119 Ų | 119 | 115.5 Ų | 115.5 | 80% | 0.804 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -123.2 | 24 | -176.9 | -64.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1283 | K | 37.2 | Very low | 46.1 | Very low | 150 Ų | 150 | 112.5 Ų | 112.5 | 65% | 0.652 | 59% | 0.591 | S | S | * | * | trans | -114.1 | 40.6 | 178 | -77.9 | -173.2 | 177.7 | 176.4 | 0 | 114 | I1285 | K1283-I1285 PolarHBondContact O-N 3.46Š| ||
| 1284 | N | 45.3 | Very low | 48.2 | Very low | 135 Ų | 135 | 107.6 Ų | 107.6 | 72% | 0.722 | 57% | 0.566 | S | S | * | * | trans | -75 | 80 | 160.4 | -77 | -8.8 | 0 | 0 | 0 | 108.3 | I1286 | N1284-I1286 PolarHBondContact O-N 3.29Š| ||
| 1285 | I | 52.4 | Low | 50.6 | Low | 105 Ų | 105 | 105.1 Ų | 105.1 | 54% | 0.538 | 56% | 0.559 | S | S | . | * | trans | -66.7 | 98.5 | 172.8 | -58.8 | 173.7 | 0 | 0 | 0 | 106.7 | K1283 T1287 | K1283-I1285 PolarHBondContact O-N 3.46Å; I1285-T1287 HydrophobicContact CG2-CG2 3.96Å; I1285-T1287 PolarHBondContact O-N 2.98Å | ||
| 1286 | I | 57.7 | Low | 52.8 | Low | 25 Ų | 25 | 103.2 Ų | 103.2 | 13% | 0.128 | 55% | 0.551 | C | S | . | * | trans | -68.8 | 112.2 | 171.5 | -53.8 | -162.3 | 0 | 0 | 0 | 106.6 | T1205 Y1255 N1284 S1290 L1297 | T1205-I1286 HydrophobicContact CG2-CD1 3.34Å; T1205-I1286 HydrophobicContact CG2-CG1 4.14Å; Y1255-I1286 CarbonylContact C-O 3.57Å; Y1255-I1286 WeakPolarHBondContact CA-O 3.15Å; Y1255-I1286 HydrophobicContact CD1-CG2 3.72Å; Y1255-I1286 HydrophobicContact CE1-CG2 3.58Å; N1284-I1286 PolarHBondContact O-N 3.29Å; I1286-S1290 WeakPolarHBondContact CG2-OG 3.02Å; I1286-L1297 HydrophobicContact CD1-CD1 4.04Å; I1286-L1297 HydrophobicContact CG2-CD1 4.3Å; I1286-L1297 HydrophobicContact CG2-CD2 3.64Å | ||
| 1287 | T | 64.3 | Low | 55.1 | Low | 61 Ų | 61 | 99 Ų | 99 | 37% | 0.374 | 52% | 0.521 | S | S | . | . | trans | -101 | 159.9 | 176 | 59.3 | 0 | 0 | 0 | 0 | 108.8 | I1285 K1289 S1290 | I1285-T1287 HydrophobicContact CG2-CG2 3.96Å; I1285-T1287 PolarHBondContact O-N 2.98Å; T1287-K1289 PolarHBondContact O-N 2.82Å; T1287-S1290 PolarHBondContact O-N 3.27Å; T1287-S1290 PolarHBondContact O-OG 3.28Å | ||
| 1288 | L | 69.3 | Low | 57.4 | Low | 20 Ų | 20 | 92.9 Ų | 92.9 | 11% | 0.105 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -53.6 | -21.8 | 173.6 | -73.8 | 167.8 | 0 | 0 | 0 | 113.4 | Y1255 L1257 L1291 E1374 L1375 W1378 | Y1255-L1288 HydrophobicContact CD1-CD2 4.43Å; Y1255-L1288 HydrophobicContact CD2-CD2 3.97Å; Y1255-L1288 HydrophobicContact CG-CD2 3.93Å; Y1255-L1288 HydrophobicContact CG-CG 4.36Å; L1257-L1288 HydrophobicContact CD1-CD1 3.79Å; L1257-L1288 HydrophobicContact CD1-CG 4.29Å; L1257-L1288 HydrophobicContact CD2-CD1 3.71Å; L1257-L1288 HydrophobicContact CD2-CG 4.01Å; L1257-L1288 HydrophobicContact CG-CD1 4.39Å; L1288-L1291 HydrophobicContact CD2-CD1 3.73Å; L1288-L1291 WeakPolarHBondContact O-CB 3.33Å; L1288-E1374 HydrophobicContact CD1-CB 4.4Å; L1288-L1375 HydrophobicContact CD2-CD1 4.03Å; L1288-W1378 HydrophobicContact CB-CG 4.33Å; L1288-W1378 HydrophobicContact CD1-CB 4.05Å; L1288-W1378 HydrophobicContact CD2-CB 4.26Å; L1288-W1378 HydrophobicContact CD2-CD2 4.3Å; L1288-W1378 HydrophobicContact CD2-CG 4.03Å; L1288-W1378 PolarHBondContact O-NE1 3.24Å |
| 1289 | K | 67.2 | Low | 59.7 | Low | 169 Ų | 169 | 87.7 Ų | 87.7 | 74% | 0.735 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -71.6 | -22.8 | 175.4 | -66.5 | -176.7 | 179 | 178.7 | 0 | 114.1 | T1287 L1291 | T1287-K1289 PolarHBondContact O-N 2.82Å; K1289-L1291 VanDerWaalsContact C-N 3.28Å |
| 1290 | S | 66.5 | Low | 62.1 | Low | 36 Ų | 36 | 85.2 Ų | 85.2 | 25% | 0.252 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -74.9 | -20.8 | 178.4 | 60.8 | 0 | 0 | 0 | 0 | 112.5 | I1286 T1287 D1292 N1293 D1294 | I1286-S1290 WeakPolarHBondContact CG2-OG 3.02Å; T1287-S1290 PolarHBondContact O-N 3.27Å; T1287-S1290 PolarHBondContact O-OG 3.28Å; S1290-D1292 PolarHBondContact O-N 3.39Å; S1290-N1293 PolarHBondContact O-N 3.33Å; S1290-N1293 VanDerWaalsContact O-N 3.14Å; S1290-D1294 PolarHBondContact O-N 3.31Å |
| 1291 | L | 70.2 | Confident | 64.6 | Low | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -60.3 | -31.9 | 177 | -74.7 | 161.4 | 0 | 0 | 0 | 113.4 | Y1255 L1288 K1289 N1293 L1297 T1301 W1378 | Y1255-L1291 HydrophobicContact CD1-CD1 4.41Å; Y1255-L1291 HydrophobicContact CE1-CD1 3.88Å; Y1255-L1291 HydrophobicContact CE1-CD2 4.15Å; Y1255-L1291 HydrophobicContact CE1-CG 3.96Å; Y1255-L1291 HydrophobicContact CE2-CD1 4.34Å; L1288-L1291 HydrophobicContact CD2-CD1 3.73Å; L1288-L1291 WeakPolarHBondContact O-CB 3.33Å; K1289-L1291 VanDerWaalsContact C-N 3.28Å; L1291-N1293 PolarHBondContact O-N 2.99Å; L1291-L1297 HydrophobicContact CD2-CB 4.17Å; L1291-L1297 HydrophobicContact CD2-CD2 3.7Å; L1291-L1297 HydrophobicContact CD2-CG 3.71Å; L1291-L1297 HydrophobicContact CG-CD2 3.97Å; L1291-T1301 HydrophobicContact CD1-CG2 4.44Å; L1291-T1301 HydrophobicContact CD2-CG2 4.42Å; L1291-T1301 WeakPolarHBondContact CD2-OG1 3.47Å; L1291-W1378 HydrophobicContact CB-CZ2 3.77Å; L1291-W1378 HydrophobicContact CD1-CD2 4.23Å; L1291-W1378 HydrophobicContact CD1-CH2 4.11Å; L1291-W1378 HydrophobicContact CD1-CZ2 3.59Å; L1291-W1378 HydrophobicContact CG-CZ2 4.18Å |
| 1292 | D | 67.1 | Low | 67 | Low | 110 Ų | 110 | 70.4 Ų | 70.4 | 59% | 0.588 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -71.4 | -18.3 | -179.3 | -64.2 | -27 | 0 | 0 | 0 | 112.3 | S1290 | S1290-D1292 PolarHBondContact O-N 3.39Š|
| 1293 | N | 68.5 | Low | 69.1 | Low | 146 Ų | 146 | 65.2 Ų | 65.2 | 78% | 0.781 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -10.2 | -176.3 | -65.7 | -34.1 | 0 | 0 | 0 | 114 | S1290 L1291 | S1290-N1293 PolarHBondContact O-N 3.33Å; S1290-N1293 VanDerWaalsContact O-N 3.14Å; L1291-N1293 PolarHBondContact O-N 2.99Å |
| 1294 | D | 73.2 | Confident | 71.3 | Confident | 62 Ų | 62 | 58 Ų | 58 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | trans | -124.1 | 103.2 | -176.7 | -170.4 | -26.8 | 0 | 0 | 0 | 111.2 | S1290 V1296 L1297 L1298 | S1290-D1294 PolarHBondContact O-N 3.31Å; D1294-V1296 VanDerWaalsContact C-N 3.25Å; D1294-V1296 PolarHBondContact O-N 3.14Å; D1294-V1296 WeakPolarHBondContact OD1-CB 3.4Å; D1294-V1296 PolarHBondContact OD1-N 2.92Å; D1294-L1297 HydrophobicContact CB-CB 3.76Å; D1294-L1297 PolarHBondContact O-N 3.33Å; D1294-L1297 PolarHBondContact OD1-N 3.17Å; D1294-L1298 WeakPolarHBondContact O-CB 3.33Å; D1294-L1298 PolarHBondContact O-N 3.31Å | ||
| 1295 | P | 77.2 | Confident | 73.2 | Confident | 101 Ų | 101 | 51.7 Ų | 51.7 | 66% | 0.656 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.8 | -25.8 | -177.4 | 27 | -34 | 0 | 0 | 0 | 113.4 | A1299 | P1295-A1299 WeakPolarHBondContact O-CB 3.34Å; P1295-A1299 PolarHBondContact O-N 3.46Å |
| 1296 | V | 74.7 | Confident | 74.5 | Confident | 85 Ų | 85 | 48.7 Ų | 48.7 | 52% | 0.515 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -74.3 | -48 | 179.2 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | D1294 L1298 A1299 H1300 | D1294-V1296 VanDerWaalsContact C-N 3.25Å; D1294-V1296 PolarHBondContact O-N 3.14Å; D1294-V1296 WeakPolarHBondContact OD1-CB 3.4Å; D1294-V1296 PolarHBondContact OD1-N 2.92Å; V1296-L1298 VanDerWaalsContact C-N 3.26Å; V1296-L1298 PolarHBondContact O-N 2.93Å; V1296-A1299 PolarHBondContact O-N 2.98Å; V1296-A1299 VanDerWaalsContact O-N 3.16Å; V1296-H1300 VanDerWaalsContact CG1-CE1 3.42Å; V1296-H1300 WeakPolarHBondContact CG1-CE1 3.42Å; V1296-H1300 PolarHBondContact O-N 3.25Å |
| 1297 | L | 74.3 | Confident | 75.4 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 174.9 | -162.2 | 80.5 | 0 | 0 | 0 | 111.6 | L1209 Y1255 I1286 L1291 D1294 H1300 T1301 | L1209-L1297 HydrophobicContact CD1-CD1 3.19Å; L1209-L1297 HydrophobicContact CD1-CG 4.34Å; Y1255-L1297 HydrophobicContact CE1-CD2 4.14Å; Y1255-L1297 HydrophobicContact CE1-CG 4.49Å; I1286-L1297 HydrophobicContact CD1-CD1 4.04Å; I1286-L1297 HydrophobicContact CG2-CD1 4.3Å; I1286-L1297 HydrophobicContact CG2-CD2 3.64Å; L1291-L1297 HydrophobicContact CD2-CB 4.17Å; L1291-L1297 HydrophobicContact CD2-CD2 3.7Å; L1291-L1297 HydrophobicContact CD2-CG 3.71Å; L1291-L1297 HydrophobicContact CG-CD2 3.97Å; D1294-L1297 HydrophobicContact CB-CB 3.76Å; D1294-L1297 PolarHBondContact O-N 3.33Å; D1294-L1297 PolarHBondContact OD1-N 3.17Å; L1297-H1300 PolarHBondContact O-N 2.94Å; L1297-T1301 PolarHBondContact O-N 3.15Å; L1297-T1301 PolarHBondContact O-OG1 2.86Å |
| 1298 | L | 79.8 | Confident | 76.3 | Confident | 28 Ų | 28 | 44.7 Ų | 44.7 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 176.5 | -175.5 | 59 | 0 | 0 | 0 | 111.8 | D1294 V1296 H1300 T1301 Q1302 W1378 I1384 | D1294-L1298 WeakPolarHBondContact O-CB 3.33Å; D1294-L1298 PolarHBondContact O-N 3.31Å; V1296-L1298 VanDerWaalsContact C-N 3.26Å; V1296-L1298 PolarHBondContact O-N 2.93Å; L1298-H1300 PolarHBondContact O-N 3.42Å; L1298-T1301 PolarHBondContact O-N 3.44Å; L1298-Q1302 WeakPolarHBondContact O-CB 3.42Å; L1298-Q1302 WeakPolarHBondContact O-CG 3.29Å; L1298-Q1302 PolarHBondContact O-N 3.31Å; L1298-W1378 HydrophobicContact CD1-CH2 3.73Å; L1298-W1378 HydrophobicContact CD1-CZ2 3.82Å; L1298-I1384 HydrophobicContact CD1-CD1 3.94Å; L1298-I1384 HydrophobicContact CD2-CD1 3.73Å; L1298-I1384 HydrophobicContact CG-CD1 4Å |
| 1299 | A | 79.7 | Confident | 76.8 | Confident | 45 Ų | 45 | 44 Ų | 44 | 37% | 0.372 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1295 V1296 Q1302 S1303 | P1295-A1299 WeakPolarHBondContact O-CB 3.34Å; P1295-A1299 PolarHBondContact O-N 3.46Å; V1296-A1299 PolarHBondContact O-N 2.98Å; V1296-A1299 VanDerWaalsContact O-N 3.16Å; A1299-Q1302 WeakPolarHBondContact O-CB 3.49Å; A1299-Q1302 PolarHBondContact O-N 3.16Å; A1299-S1303 PolarHBondContact O-N 3.34Å |
| 1300 | H | 80.7 | Confident | 77.1 | Confident | 30 Ų | 30 | 38.2 Ų | 38.2 | 14% | 0.139 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.1 | -38.1 | 175.8 | -63.1 | 157.8 | 0 | 0 | 0 | 112.8 | L1209 D1210 S1213 V1296 L1297 L1298 Q1302 S1303 I1304 | L1209-H1300 HydrophobicContact CB-CB 4.34Å; L1209-H1300 HydrophobicContact CD2-CB 4.34Å; D1210-H1300 IonicContact OD1-CE1 2.71Å; D1210-H1300 PolarHBondContact OD1-CE1 3.32Å; D1210-H1300 IonicContact OD1-ND1 3.23Å; D1210-H1300 IonicContact OD1-NE2 3.13Å; S1213-H1300 PolarHBondContact OG-CD2 3.4Å; V1296-H1300 VanDerWaalsContact CG1-CE1 3.42Å; V1296-H1300 WeakPolarHBondContact CG1-CE1 3.42Å; V1296-H1300 PolarHBondContact O-N 3.25Å; L1297-H1300 PolarHBondContact O-N 2.94Å; L1298-H1300 PolarHBondContact O-N 3.42Å; H1300-Q1302 VanDerWaalsContact C-N 3.34Å; H1300-S1303 PolarHBondContact O-N 3.05Å; H1300-S1303 PolarHBondContact O-OG 2.89Å; H1300-I1304 WeakPolarHBondContact O-CG1 3.47Å; H1300-I1304 PolarHBondContact O-N 2.97Å |
| 1301 | T | 82.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 175.1 | -52 | 0 | 0 | 0 | 0 | 110.9 | L1251 Y1255 L1291 L1297 L1298 I1304 L1305 W1378 | L1251-T1301 HydrophobicContact CD2-CG2 4.25Å; Y1255-T1301 HydrophobicContact CE2-CG2 4.32Å; Y1255-T1301 PolarHBondContact OH-OG1 3.18Å; L1291-T1301 HydrophobicContact CD1-CG2 4.44Å; L1291-T1301 HydrophobicContact CD2-CG2 4.42Å; L1291-T1301 WeakPolarHBondContact CD2-OG1 3.47Å; L1297-T1301 PolarHBondContact O-N 3.15Å; L1297-T1301 PolarHBondContact O-OG1 2.86Å; L1298-T1301 PolarHBondContact O-N 3.44Å; T1301-I1304 PolarHBondContact O-N 3.45Å; T1301-L1305 HydrophobicContact CG2-CD1 3.9Å; T1301-L1305 HydrophobicContact CG2-CG 4.36Å; T1301-L1305 WeakPolarHBondContact O-CB 3.26Å; T1301-L1305 WeakPolarHBondContact O-CG 3.41Å; T1301-L1305 PolarHBondContact O-N 3.03Å; T1301-W1378 HydrophobicContact CG2-CH2 4.27Å; T1301-W1378 HydrophobicContact CG2-CZ3 4.2Å |
| 1302 | Q | 81.8 | Confident | 77.4 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 22% | 0.22 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 176.5 | -78.3 | 175.2 | -34.9 | 0 | 0 | 112 | L1298 A1299 H1300 I1304 L1305 L1306 I1387 | L1298-Q1302 WeakPolarHBondContact O-CB 3.42Å; L1298-Q1302 WeakPolarHBondContact O-CG 3.29Å; L1298-Q1302 PolarHBondContact O-N 3.31Å; A1299-Q1302 WeakPolarHBondContact O-CB 3.49Å; A1299-Q1302 PolarHBondContact O-N 3.16Å; H1300-Q1302 VanDerWaalsContact C-N 3.34Å; Q1302-I1304 VanDerWaalsContact C-N 3.3Å; Q1302-I1304 PolarHBondContact O-N 3.11Å; Q1302-L1305 PolarHBondContact O-N 2.69Å; Q1302-L1306 WeakPolarHBondContact O-CB 3.23Å; Q1302-L1306 WeakPolarHBondContact O-CD1 3.16Å; Q1302-L1306 WeakPolarHBondContact O-CG 3.15Å; Q1302-L1306 PolarHBondContact O-N 2.89Å; Q1302-I1387 HydrophobicContact CG-CD1 3.54Å; Q1302-I1387 HydrophobicContact CG-CG1 4.39Å |
| 1303 | S | 80.9 | Confident | 77.2 | Confident | 9 Ų | 9 | 32 Ų | 32 | 6% | 0.063 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.6 | -41.1 | -177.9 | 61.8 | 0 | 0 | 0 | 0 | 111.9 | S1213 H1217 A1299 H1300 | S1213-S1303 PolarHBondContact OG-OG 3.37Å; H1217-S1303 WeakPolarHBondContact NE2-CB 3.05Å; A1299-S1303 PolarHBondContact O-N 3.34Å; H1300-S1303 PolarHBondContact O-N 3.05Å; H1300-S1303 PolarHBondContact O-OG 2.89Å |
| 1304 | I | 84.2 | Confident | 76.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69.8 | -48.8 | 177 | -60.2 | 167.6 | 0 | 0 | 0 | 111 | F1186 L1212 A1216 F1247 L1251 H1300 T1301 Q1302 L1306 I1307 A1308 | F1186-I1304 HydrophobicContact CE1-CG1 4.38Å; F1186-I1304 HydrophobicContact CE1-CG2 4.35Å; L1212-I1304 HydrophobicContact CB-CD1 3.82Å; A1216-I1304 HydrophobicContact CB-CG1 4.01Å; F1247-I1304 HydrophobicContact CB-CG2 4.11Å; F1247-I1304 HydrophobicContact CD1-CG2 4.07Å; F1247-I1304 HydrophobicContact CG-CG2 4.35Å; L1251-I1304 HydrophobicContact CD1-CB 4.41Å; L1251-I1304 HydrophobicContact CD1-CG2 3.92Å; L1251-I1304 HydrophobicContact CD2-CB 4.22Å; L1251-I1304 HydrophobicContact CD2-CD1 3.9Å; L1251-I1304 HydrophobicContact CD2-CG2 4.12Å; L1251-I1304 HydrophobicContact CG-CG2 3.96Å; H1300-I1304 WeakPolarHBondContact O-CG1 3.47Å; H1300-I1304 PolarHBondContact O-N 2.97Å; T1301-I1304 PolarHBondContact O-N 3.45Å; Q1302-I1304 VanDerWaalsContact C-N 3.3Å; Q1302-I1304 PolarHBondContact O-N 3.11Å; I1304-L1306 VanDerWaalsContact C-N 3.33Å; I1304-L1306 PolarHBondContact O-N 2.89Å; I1304-I1307 PolarHBondContact O-N 3.3Å; I1304-A1308 PolarHBondContact O-N 3.2Å |
| 1305 | L | 84.8 | Confident | 75.5 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.6 | -39.2 | -179.5 | -79.3 | 177.8 | 0 | 0 | 0 | 112.5 | I1248 L1251 T1301 Q1302 I1307 A1308 F1309 L1375 W1378 I1387 | I1248-L1305 HydrophobicContact CD1-CD2 4.42Å; L1251-L1305 HydrophobicContact CD1-CD2 3.47Å; L1251-L1305 VanDerWaalsContact CD1-CD2 3.47Å; L1251-L1305 HydrophobicContact CD1-CG 3.65Å; T1301-L1305 HydrophobicContact CG2-CD1 3.9Å; T1301-L1305 HydrophobicContact CG2-CG 4.36Å; T1301-L1305 WeakPolarHBondContact O-CB 3.26Å; T1301-L1305 WeakPolarHBondContact O-CG 3.41Å; T1301-L1305 PolarHBondContact O-N 3.03Å; Q1302-L1305 PolarHBondContact O-N 2.69Å; L1305-I1307 PolarHBondContact O-N 2.81Å; L1305-A1308 PolarHBondContact O-N 3.13Å; L1305-F1309 HydrophobicContact CB-CD2 4.06Å; L1305-F1309 HydrophobicContact CB-CE2 3.74Å; L1305-F1309 HydrophobicContact CB-CZ 4.44Å; L1305-F1309 HydrophobicContact CD1-CE2 4.35Å; L1305-F1309 HydrophobicContact CD2-CE2 4.16Å; L1305-F1309 HydrophobicContact CD2-CZ 4.01Å; L1305-F1309 HydrophobicContact CG-CE2 4.31Å; L1305-F1309 WeakPolarHBondContact O-CB 3.35Å; L1305-F1309 WeakPolarHBondContact O-CD2 3.22Å; L1305-F1309 WeakPolarHBondContact O-CG 3.45Å; L1305-F1309 PolarHBondContact O-N 3Å; L1305-L1375 HydrophobicContact CD2-CD2 4.41Å; L1305-W1378 HydrophobicContact CD1-CZ3 3.95Å; L1305-I1387 HydrophobicContact CD1-CG2 4.42Å |
| 1306 | L | 78.7 | Confident | 73.7 | Confident | 43 Ų | 43 | 21 Ų | 21 | 23% | 0.225 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.8 | -36.5 | -179.4 | -77.6 | 167.9 | 0 | 0 | 0 | 112.3 | Q1302 I1304 K1310 E1386 | Q1302-L1306 WeakPolarHBondContact O-CB 3.23Å; Q1302-L1306 WeakPolarHBondContact O-CD1 3.16Å; Q1302-L1306 WeakPolarHBondContact O-CG 3.15Å; Q1302-L1306 PolarHBondContact O-N 2.89Å; I1304-L1306 VanDerWaalsContact C-N 3.33Å; I1304-L1306 PolarHBondContact O-N 2.89Å; L1306-K1310 VanDerWaalsContact O-CB 3.3Å; L1306-K1310 WeakPolarHBondContact O-CB 3.47Å; L1306-K1310 PolarHBondContact O-N 3.21Å; L1306-E1386 HydrophobicContact CD2-CG 3.79Å; L1306-E1386 VanDerWaalsContact CD2-OE1 3.25Å; L1306-E1386 WeakPolarHBondContact CD2-OE1 3.33Å |
| 1307 | I | 77.6 | Confident | 72 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -76.9 | -44.5 | 178.6 | -55 | 173 | 0 | 0 | 0 | 111 | A1216 L1219 Y1220 F1247 I1304 L1305 F1309 K1310 L1311 | A1216-I1307 HydrophobicContact CB-CD1 3.45Å; A1216-I1307 VanDerWaalsContact CB-CD1 3.45Å; A1216-I1307 WeakPolarHBondContact O-CD1 3.48Å; L1219-I1307 HydrophobicContact CB-CD1 4.36Å; Y1220-I1307 HydrophobicContact CD2-CG1 4.09Å; Y1220-I1307 HydrophobicContact CG-CG1 4.17Å; F1247-I1307 HydrophobicContact CD2-CG2 4.45Å; F1247-I1307 HydrophobicContact CE2-CB 3.96Å; F1247-I1307 HydrophobicContact CE2-CG2 3.44Å; F1247-I1307 VanDerWaalsContact CE2-CG2 3.44Å; F1247-I1307 HydrophobicContact CZ-CB 4.2Å; F1247-I1307 HydrophobicContact CZ-CG2 3.71Å; I1304-I1307 PolarHBondContact O-N 3.3Å; L1305-I1307 PolarHBondContact O-N 2.81Å; I1307-F1309 PolarHBondContact O-N 3.49Å; I1307-K1310 PolarHBondContact O-N 3.18Å; I1307-K1310 VanDerWaalsContact O-N 3.09Å; I1307-L1311 HydrophobicContact CG2-CD1 4.44Å; I1307-L1311 PolarHBondContact O-N 3.18Å |
| 1308 | A | 82.2 | Confident | 70.2 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -53.8 | -45.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1244 F1247 I1248 I1304 L1305 C1312 | L1244-A1308 HydrophobicContact CD1-CB 3.9Å; L1244-A1308 WeakPolarHBondContact CD1-O 3.39Å; F1247-A1308 HydrophobicContact CB-CB 3.91Å; F1247-A1308 HydrophobicContact CD2-CB 3.98Å; F1247-A1308 HydrophobicContact CG-CB 4.35Å; I1248-A1308 HydrophobicContact CD1-CB 4.33Å; I1304-A1308 PolarHBondContact O-N 3.2Å; L1305-A1308 PolarHBondContact O-N 3.13Å; A1308-C1312 PolarHBondContact O-N 3.39Å; A1308-C1312 PolarHBondContact O-SG 2.72Å |
| 1309 | F | 81.7 | Confident | 67.9 | Low | 5 Ų | 5 | 34.2 Ų | 34.2 | 2% | 0.022 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.4 | -40.1 | 175.2 | -64.5 | -40.9 | 0 | 0 | 0 | 112.8 | L1305 I1307 L1311 C1312 C1313 I1387 N1390 A1391 L1394 | L1305-F1309 HydrophobicContact CB-CD2 4.06Å; L1305-F1309 HydrophobicContact CB-CE2 3.74Å; L1305-F1309 HydrophobicContact CB-CZ 4.44Å; L1305-F1309 HydrophobicContact CD1-CE2 4.35Å; L1305-F1309 HydrophobicContact CD2-CE2 4.16Å; L1305-F1309 HydrophobicContact CD2-CZ 4.01Å; L1305-F1309 HydrophobicContact CG-CE2 4.31Å; L1305-F1309 WeakPolarHBondContact O-CB 3.35Å; L1305-F1309 WeakPolarHBondContact O-CD2 3.22Å; L1305-F1309 WeakPolarHBondContact O-CG 3.45Å; L1305-F1309 PolarHBondContact O-N 3Å; I1307-F1309 PolarHBondContact O-N 3.49Å; F1309-L1311 VanDerWaalsContact C-N 3.3Å; F1309-L1311 PolarHBondContact O-N 2.92Å; F1309-C1312 PolarHBondContact O-N 3.46Å; F1309-C1312 VanDerWaalsContact O-N 3.11Å; F1309-C1313 VanDerWaalsContact O-CB 3.23Å; F1309-C1313 WeakPolarHBondContact O-CB 2.81Å; F1309-C1313 PolarHBondContact O-N 3.44Å; F1309-C1313 PolarHBondContact O-SG 3.48Å; F1309-I1387 HydrophobicContact CE2-CG2 4.31Å; F1309-N1390 HydrophobicContact CB-CB 3.65Å; F1309-N1390 HydrophobicContact CD1-CB 4.05Å; F1309-N1390 HydrophobicContact CD2-CB 3.34Å; F1309-N1390 HydrophobicContact CE2-CB 3.89Å; F1309-N1390 HydrophobicContact CG-CB 3.44Å; F1309-N1390 VanDerWaalsContact CG-CB 3.44Å; F1309-N1390 HydrophobicContact CZ-CB 4.47Å; F1309-A1391 HydrophobicContact CE1-CB 4.4Å; F1309-A1391 HydrophobicContact CZ-CB 4.18Å; F1309-L1394 HydrophobicContact CD1-CB 4.49Å; F1309-L1394 HydrophobicContact CE1-CD2 4.17Å |
| 1310 | K | 73.3 | Confident | 65.5 | Low | 47 Ų | 47 | 34.9 Ų | 34.9 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -38.1 | 178.4 | -163.8 | 66 | 167.5 | -174.3 | 0 | 112.6 | Y1220 L1306 I1307 C1312 C1313 N1314 | Y1220-K1310 HydrophobicContact CE2-CG 4.41Å; L1306-K1310 VanDerWaalsContact O-CB 3.3Å; L1306-K1310 WeakPolarHBondContact O-CB 3.47Å; L1306-K1310 PolarHBondContact O-N 3.21Å; I1307-K1310 PolarHBondContact O-N 3.18Å; I1307-K1310 VanDerWaalsContact O-N 3.09Å; K1310-C1312 VanDerWaalsContact C-N 3.26Å; K1310-C1312 PolarHBondContact O-N 3.36Å; K1310-C1313 PolarHBondContact O-N 3.35Å; K1310-N1314 PolarHBondContact O-N 2.88Å |
| 1311 | L | 73.3 | Confident | 63 | Low | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.8 | -37.9 | 174.4 | -81.7 | 166.6 | 0 | 0 | 0 | 112.5 | T1235 Y1238 V1239 L1243 F1247 I1307 F1309 Y1345 | T1235-L1311 HydrophobicContact CG2-CD2 4.28Å; Y1238-L1311 HydrophobicContact CD2-CD2 3.88Å; Y1238-L1311 HydrophobicContact CD2-CG 4.49Å; Y1238-L1311 HydrophobicContact CG-CD2 4.13Å; V1239-L1311 HydrophobicContact CG2-CD2 4.19Å; L1243-L1311 HydrophobicContact CB-CD1 4.22Å; L1243-L1311 HydrophobicContact CD2-CD1 4.26Å; L1243-L1311 HydrophobicContact CG-CD1 4.46Å; F1247-L1311 HydrophobicContact CD2-CD1 4.16Å; F1247-L1311 HydrophobicContact CE2-CD1 3.77Å; I1307-L1311 HydrophobicContact CG2-CD1 4.44Å; I1307-L1311 PolarHBondContact O-N 3.18Å; F1309-L1311 VanDerWaalsContact C-N 3.3Å; F1309-L1311 PolarHBondContact O-N 2.92Å; L1311-Y1345 PolarHBondContact O-OH 3.25Å |
| 1312 | C | 68.2 | Low | 60.6 | Low | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -76.2 | -57.8 | 176.1 | -56.7 | 0 | 0 | 0 | 0 | 109.2 | L1244 A1308 F1309 K1310 N1314 L1394 Q1397 | L1244-C1312 WeakPolarHBondContact CD1-SG 3.1Å; L1244-C1312 WeakPolarHBondContact CD2-SG 3.34Å; A1308-C1312 PolarHBondContact O-N 3.39Å; A1308-C1312 PolarHBondContact O-SG 2.72Å; F1309-C1312 PolarHBondContact O-N 3.46Å; F1309-C1312 VanDerWaalsContact O-N 3.11Å; K1310-C1312 VanDerWaalsContact C-N 3.26Å; K1310-C1312 PolarHBondContact O-N 3.36Å; C1312-N1314 VanDerWaalsContact C-N 3.35Å; C1312-N1314 PolarHBondContact O-N 2.91Å; C1312-L1394 HydrophobicContact CB-CD1 3.76Å; C1312-L1394 WeakPolarHBondContact SG-CD1 3.43Å; C1312-Q1397 VanDerWaalsContact CB-OE1 3.24Å; C1312-Q1397 PolarHBondContact O-NE2 3.44Å; C1312-Q1397 PolarHBondContact O-OE1 3.22Å |
| 1313 | C | 63.2 | Low | 58 | Low | 13 Ų | 13 | 52 Ų | 52 | 9% | 0.088 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -76.7 | -6.6 | -164.7 | -57.4 | 0 | 0 | 0 | 0 | 116.3 | F1309 K1310 A1393 | F1309-C1313 VanDerWaalsContact O-CB 3.23Å; F1309-C1313 WeakPolarHBondContact O-CB 2.81Å; F1309-C1313 PolarHBondContact O-N 3.44Å; F1309-C1313 PolarHBondContact O-SG 3.48Å; K1310-C1313 PolarHBondContact O-N 3.35Å; C1313-A1393 HydrophobicContact CB-CB 4.48Å; C1313-A1393 WeakPolarHBondContact SG-CB 3.23Å |
| 1314 | N | 61 | Low | 55.6 | Low | 24 Ų | 24 | 56 Ų | 56 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | trans | 61.5 | 159 | -172.9 | -113.2 | -11.7 | 0 | 0 | 0 | 113.9 | K1310 C1312 I1316 L1333 | K1310-N1314 PolarHBondContact O-N 2.88Å; C1312-N1314 VanDerWaalsContact C-N 3.35Å; C1312-N1314 PolarHBondContact O-N 2.91Å; N1314-I1316 PolarHBondContact O-N 3.02Å; N1314-L1333 HydrophobicContact CB-CD1 4.19Å; N1314-L1333 WeakPolarHBondContact ND2-CB 3.27Å; N1314-L1333 WeakPolarHBondContact OD1-CD2 3.25Å | ||
| 1315 | P | 44.7 | Very low | 53 | Low | 16 Ų | 16 | 60 Ų | 60 | 10% | 0.104 | 35% | 0.351 | C | S | . | . | trans | -73.5 | 74.6 | 169.2 | 33.1 | -34.5 | 0 | 0 | 0 | 110.4 | Q1231 N1317 L1333 | Q1231-P1315 HydrophobicContact CB-CG 4.31Å; Q1231-P1315 VanDerWaalsContact OE1-CG 3.29Å; P1315-N1317 PolarHBondContact O-N 3.36Å; P1315-L1333 VanDerWaalsContact CD-CD1 3.47Å; P1315-L1333 HydrophobicContact CG-CD1 3.53Å | ||
| 1316 | I | 40.3 | Very low | 50.5 | Low | 37 Ų | 37 | 65.7 Ų | 65.7 | 19% | 0.19 | 38% | 0.381 | C | S | . | . | trans | -61.3 | 110.1 | 149.6 | -61 | 160.7 | 0 | 0 | 0 | 105.1 | N1314 L1318 L1330 | N1314-I1316 PolarHBondContact O-N 3.02Å; I1316-L1318 VanDerWaalsContact C-N 3.26Å; I1316-L1318 HydrophobicContact CG2-CD1 4.28Å; I1316-L1318 HydrophobicContact CG2-CG 3.99Å; I1316-L1318 PolarHBondContact O-N 3.15Å; I1316-L1330 HydrophobicContact CB-CD2 4.33Å; I1316-L1330 HydrophobicContact CD1-CD2 3.6Å; I1316-L1330 HydrophobicContact CG1-CD2 3.98Å; I1316-L1330 HydrophobicContact CG2-CD2 3.45Å; I1316-L1330 VanDerWaalsContact CG2-CD2 3.45Å; I1316-L1330 HydrophobicContact CG2-CG 4.27Å | ||
| 1317 | N | 39 | Very low | 48.7 | Very low | 137 Ų | 137 | 67.6 Ų | 67.6 | 73% | 0.733 | 39% | 0.391 | S | S | * | . | trans | -57.1 | 89.8 | 168 | -101.9 | -32.7 | 0 | 0 | 0 | 108.8 | P1315 | P1315-N1317 PolarHBondContact O-N 3.36Š| ||
| 1318 | L | 35.4 | Very low | 46.7 | Very low | 84 Ų | 84 | 69.8 Ų | 69.8 | 44% | 0.44 | 41% | 0.406 | S | S | . | . | trans | -96 | -4.2 | 169.7 | -85.6 | 160.5 | 0 | 0 | 0 | 112.4 | I1316 I1465 | I1316-L1318 VanDerWaalsContact C-N 3.26Å; I1316-L1318 HydrophobicContact CG2-CD1 4.28Å; I1316-L1318 HydrophobicContact CG2-CG 3.99Å; I1316-L1318 PolarHBondContact O-N 3.15Å; L1318-I1465 HydrophobicContact CD1-CD1 3.91Å; L1318-I1465 HydrophobicContact CD1-CG2 4.35Å; L1318-I1465 HydrophobicContact CD2-CD1 3.52Å; L1318-I1465 HydrophobicContact CD2-CG1 4.11Å; L1318-I1465 HydrophobicContact CG-CD1 4.23Å | ||
| 1319 | H | 32.3 | Very low | 44.5 | Very low | 176 Ų | 176 | 76.1 Ų | 76.1 | 82% | 0.815 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -102.3 | 21.3 | -170.7 | -90.6 | -55.1 | 0 | 0 | 0 | 116.3 | ||
| 1320 | G | 29.5 | Very low | 42.3 | Very low | 58 Ų | 58 | 77.6 Ų | 77.6 | 60% | 0.598 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -145.4 | 49.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1321 | T | 27.7 | Very low | 40.7 | Very low | 91 Ų | 91 | 77.3 Ų | 77.3 | 56% | 0.558 | 45% | 0.446 | S | S | * | . | trans | 176.6 | 85.7 | 149.9 | 41.3 | 0 | 0 | 0 | 0 | 110.8 | N1323 | T1321-N1323 VanDerWaalsContact CB-O 3.24Å; T1321-N1323 WeakPolarHBondContact CB-O 3.25Å; T1321-N1323 VanDerWaalsContact CG2-O 3.28Å; T1321-N1323 WeakPolarHBondContact CG2-O 3.47Å; T1321-N1323 PolarHBondContact O-N 3.01Å; T1321-N1323 VanDerWaalsContact O-N 3.09Å | ||
| 1322 | E | 32.6 | Very low | 39 | Very low | 207 Ų | 207 | 78.6 Ų | 78.6 | 97% | 0.967 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -62.4 | -6.7 | 158.7 | -75.3 | -174.4 | 158.3 | 0 | 0 | 112 | ||
| 1323 | N | 28.3 | Very low | 37.5 | Very low | 139 Ų | 139 | 79.1 Ų | 79.1 | 74% | 0.743 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -129.1 | 117.3 | 172.5 | -72.4 | -41.8 | 0 | 0 | 0 | 110 | T1321 | T1321-N1323 VanDerWaalsContact CB-O 3.24Å; T1321-N1323 WeakPolarHBondContact CB-O 3.25Å; T1321-N1323 VanDerWaalsContact CG2-O 3.28Å; T1321-N1323 WeakPolarHBondContact CG2-O 3.47Å; T1321-N1323 PolarHBondContact O-N 3.01Å; T1321-N1323 VanDerWaalsContact O-N 3.09Å |
| 1324 | S | 28.6 | Very low | 36.4 | Very low | 93 Ų | 93 | 83.2 Ų | 83.2 | 65% | 0.65 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 97.9 | 97.2 | 170.3 | 76.9 | 0 | 0 | 0 | 0 | 118.9 | D1326 | S1324-D1326 PolarHBondContact O-N 3.47Š|
| 1325 | G | 30.2 | Very low | 35.3 | Very low | 84 Ų | 84 | 89.6 Ų | 89.6 | 87% | 0.866 | 51% | 0.506 | S | S | * | . | 74.8 | -32.8 | 114 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1326 | D | 32.7 | Very low | 35.4 | Very low | 121 Ų | 121 | 92.6 Ų | 92.6 | 65% | 0.647 | 52% | 0.523 | S | S | * | . | trans | -119.4 | 74.8 | -162.9 | -108.4 | -36.2 | 0 | 0 | 0 | 113.8 | S1324 S1328 | S1324-D1326 PolarHBondContact O-N 3.47Å; D1326-S1328 PolarHBondContact O-N 3.34Å; D1326-S1328 PolarHBondContact OD1-OG 3.38Å | ||
| 1327 | I | 41.6 | Very low | 35.9 | Very low | 82 Ų | 82 | 92.2 Ų | 92.2 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -76.8 | 12.4 | 168.1 | -47.4 | 173.8 | 0 | 0 | 0 | 110.5 | N1329 L1330 V1566 | I1327-N1329 VanDerWaalsContact C-N 3.26Å; I1327-N1329 PolarHBondContact O-N 2.79Å; I1327-L1330 HydrophobicContact CG2-CD1 3.64Å; I1327-L1330 HydrophobicContact CG2-CG 4.21Å; I1327-V1566 HydrophobicContact CB-CG2 4.02Å; I1327-V1566 HydrophobicContact CG2-CG2 3.77Å |
| 1328 | S | 34.6 | Very low | 36.6 | Very low | 49 Ų | 49 | 88.4 Ų | 88.4 | 34% | 0.343 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -70.3 | -18.9 | -174.4 | 49.8 | 0 | 0 | 0 | 0 | 113.8 | D1326 L1330 R1607 | D1326-S1328 PolarHBondContact O-N 3.34Å; D1326-S1328 PolarHBondContact OD1-OG 3.38Å; S1328-L1330 PolarHBondContact O-N 3.33Å; S1328-R1607 PolarHBondContact O-NH1 3.09Å; S1328-R1607 VanDerWaalsContact O-NH1 3.15Å |
| 1329 | N | 35.6 | Very low | 37.4 | Very low | 133 Ų | 133 | 90.7 Ų | 90.7 | 71% | 0.711 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -89.1 | 17.5 | -177 | -76.2 | -11.6 | 0 | 0 | 0 | 115.8 | I1327 Y1331 | I1327-N1329 VanDerWaalsContact C-N 3.26Å; I1327-N1329 PolarHBondContact O-N 2.79Å; N1329-Y1331 PolarHBondContact O-N 3.12Å |
| 1330 | L | 36 | Very low | 38.5 | Very low | 35 Ų | 35 | 89.4 Ų | 89.4 | 18% | 0.183 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -7 | 174.8 | -90.3 | 160.5 | 0 | 0 | 0 | 114.9 | I1316 I1327 S1328 V1566 | I1316-L1330 HydrophobicContact CB-CD2 4.33Å; I1316-L1330 HydrophobicContact CD1-CD2 3.6Å; I1316-L1330 HydrophobicContact CG1-CD2 3.98Å; I1316-L1330 HydrophobicContact CG2-CD2 3.45Å; I1316-L1330 VanDerWaalsContact CG2-CD2 3.45Å; I1316-L1330 HydrophobicContact CG2-CG 4.27Å; I1327-L1330 HydrophobicContact CG2-CD1 3.64Å; I1327-L1330 HydrophobicContact CG2-CG 4.21Å; S1328-L1330 PolarHBondContact O-N 3.33Å; L1330-V1566 HydrophobicContact CD1-CG1 3.94Å; L1330-V1566 HydrophobicContact CD1-CG2 4.18Å |
| 1331 | Y | 40.6 | Very low | 39.9 | Very low | 41 Ų | 41 | 90.6 Ų | 90.6 | 16% | 0.161 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | 11.6 | -165.7 | -54.2 | -43.4 | 0 | 0 | 0 | 115.8 | N1329 L1333 T1509 | N1329-Y1331 PolarHBondContact O-N 3.12Å; Y1331-L1333 VanDerWaalsContact C-N 3.34Å; Y1331-L1333 PolarHBondContact O-N 3.44Å; Y1331-L1333 VanDerWaalsContact O-N 3.17Å; Y1331-T1509 HydrophobicContact CD1-CG2 3.22Å; Y1331-T1509 WeakPolarHBondContact CD2-O 3.47Å; Y1331-T1509 HydrophobicContact CE1-CG2 3.19Å; Y1331-T1509 WeakPolarHBondContact CE1-O 3.41Å; Y1331-T1509 WeakPolarHBondContact CE2-O 3.37Å; Y1331-T1509 HydrophobicContact CG-CG2 4.21Å; Y1331-T1509 PolarHBondContact OH-O 3.1Å |
| 1332 | G | 36.7 | Very low | 41.4 | Very low | 28 Ų | 28 | 86.6 Ų | 86.6 | 29% | 0.289 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | T1336 | G1332-T1336 PolarHBondContact O-OG1 2.96Š|
| 1333 | L | 36.1 | Very low | 42.8 | Very low | 14 Ų | 14 | 78.9 Ų | 78.9 | 7% | 0.073 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -19.9 | -176.2 | -108.4 | 112.4 | 0 | 0 | 0 | 115.7 | I1232 N1314 P1315 Y1331 T1336 | I1232-L1333 HydrophobicContact CB-CD2 4.34Å; I1232-L1333 HydrophobicContact CD1-CD2 4.46Å; I1232-L1333 HydrophobicContact CD1-CG 4.47Å; I1232-L1333 HydrophobicContact CG1-CD2 3.5Å; I1232-L1333 VanDerWaalsContact CG1-CD2 3.5Å; I1232-L1333 HydrophobicContact CG1-CG 3.9Å; I1232-L1333 HydrophobicContact CG2-CD2 4.49Å; N1314-L1333 HydrophobicContact CB-CD1 4.19Å; N1314-L1333 WeakPolarHBondContact ND2-CB 3.27Å; N1314-L1333 WeakPolarHBondContact OD1-CD2 3.25Å; P1315-L1333 VanDerWaalsContact CD-CD1 3.47Å; P1315-L1333 HydrophobicContact CG-CD1 3.53Å; Y1331-L1333 VanDerWaalsContact C-N 3.34Å; Y1331-L1333 PolarHBondContact O-N 3.44Å; Y1331-L1333 VanDerWaalsContact O-N 3.17Å; L1333-T1336 PolarHBondContact O-OG1 3.12Å |
| 1334 | Y | 40 | Very low | 44.6 | Very low | 98 Ų | 98 | 76.5 Ų | 76.5 | 38% | 0.384 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -15.8 | -178.8 | -71.6 | -76.6 | 0 | 0 | 0 | 112.9 | Q1346 | Y1334-Q1346 VanDerWaalsContact CZ-NE2 3.32Å; Y1334-Q1346 PolarHBondContact OH-NE2 2.94Å |
| 1335 | E | 38.7 | Very low | 46.5 | Very low | 159 Ų | 159 | 73.2 Ų | 73.2 | 74% | 0.743 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -15.1 | 176.7 | -72 | -173.8 | 162.3 | 0 | 0 | 113.2 | ||
| 1336 | T | 46.9 | Very low | 48.3 | Very low | 78 Ų | 78 | 71 Ų | 71 | 48% | 0.479 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -25.5 | -173.2 | 36.7 | 0 | 0 | 0 | 0 | 114.4 | I1232 G1332 L1333 | I1232-T1336 HydrophobicContact CD1-CG2 4.35Å; I1232-T1336 WeakPolarHBondContact CD1-OG1 3.34Å; G1332-T1336 PolarHBondContact O-OG1 2.96Å; L1333-T1336 PolarHBondContact O-OG1 3.12Å |
| 1337 | L | 50.6 | Low | 50 | Low | 30 Ų | 30 | 69.5 Ų | 69.5 | 16% | 0.157 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -84.8 | 143.1 | 171.1 | -75.4 | 166.8 | 0 | 0 | 0 | 110.7 | I1232 Q1341 | I1232-L1337 HydrophobicContact CG2-CD1 4.01Å; I1232-L1337 HydrophobicContact CG2-CD2 3.35Å; I1232-L1337 HydrophobicContact CG2-CG 3.6Å; L1337-Q1341 HydrophobicContact CD2-CB 4.14Å |
| 1338 | S | 52.8 | Low | 51.7 | Low | 57 Ų | 57 | 67.3 Ų | 67.3 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | trans | -62.2 | 146.7 | 167.4 | 70.4 | 0 | 0 | 0 | 0 | 109.9 | E1340 Q1341 G1342 | S1338-E1340 PolarHBondContact O-N 2.89Å; S1338-Q1341 PolarHBondContact O-N 3.29Å; S1338-Q1341 VanDerWaalsContact OG-CG 3.26Å; S1338-Q1341 WeakPolarHBondContact OG-CG 3.48Å; S1338-Q1341 PolarHBondContact OG-N 3.23Å; S1338-G1342 PolarHBondContact O-N 3.19Å | ||
| 1339 | E | 52.9 | Low | 53.8 | Low | 131 Ų | 131 | 65.6 Ų | 65.6 | 61% | 0.612 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -49.4 | -38.2 | -179.5 | -79.3 | -173.7 | 152.9 | 0 | 0 | 112.4 | L1343 | E1339-L1343 WeakPolarHBondContact O-CB 3.32Å; E1339-L1343 PolarHBondContact O-N 3.2Å; E1339-L1343 VanDerWaalsContact O-N 3.12Å |
| 1340 | E | 56.6 | Low | 55.6 | Low | 149 Ų | 149 | 59.4 Ų | 59.4 | 70% | 0.696 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68 | -43.8 | 178.3 | -167.6 | 176 | -167.9 | 0 | 0 | 112.7 | S1338 L1343 I1344 | S1338-E1340 PolarHBondContact O-N 2.89Å; E1340-L1343 PolarHBondContact O-N 2.73Å; E1340-I1344 HydrophobicContact CG-CD1 4.38Å; E1340-I1344 WeakPolarHBondContact O-CG1 3.37Å; E1340-I1344 PolarHBondContact O-N 3.42Å; E1340-I1344 VanDerWaalsContact O-N 3.12Å |
| 1341 | Q | 57.1 | Low | 57.6 | Low | 84 Ų | 84 | 64.3 Ų | 64.3 | 39% | 0.393 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 178.8 | -72.2 | 178.3 | -8.1 | 0 | 0 | 112 | L1337 S1338 L1343 I1344 Y1345 | L1337-Q1341 HydrophobicContact CD2-CB 4.14Å; S1338-Q1341 PolarHBondContact O-N 3.29Å; S1338-Q1341 VanDerWaalsContact OG-CG 3.26Å; S1338-Q1341 WeakPolarHBondContact OG-CG 3.48Å; S1338-Q1341 PolarHBondContact OG-N 3.23Å; Q1341-L1343 VanDerWaalsContact C-N 3.33Å; Q1341-I1344 PolarHBondContact O-N 3.33Å; Q1341-Y1345 WeakPolarHBondContact O-CB 3.41Å; Q1341-Y1345 PolarHBondContact O-N 2.73Å; Q1341-Y1345 VanDerWaalsContact O-N 3.09Å |
| 1342 | G | 60.4 | Low | 59.7 | Low | 7 Ų | 7 | 62.4 Ų | 62.4 | 7% | 0.072 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1338 Q1346 | S1338-G1342 PolarHBondContact O-N 3.19Å; G1342-Q1346 WeakPolarHBondContact O-CG 3.5Å; G1342-Q1346 PolarHBondContact O-N 3.05Å |
| 1343 | L | 62.2 | Low | 61.9 | Low | 45 Ų | 45 | 61.3 Ų | 61.3 | 24% | 0.236 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 178.8 | -168.9 | 70.5 | 0 | 0 | 0 | 112.4 | E1339 E1340 Q1341 Y1345 Q1346 K1347 | E1339-L1343 WeakPolarHBondContact O-CB 3.32Å; E1339-L1343 PolarHBondContact O-N 3.2Å; E1339-L1343 VanDerWaalsContact O-N 3.12Å; E1340-L1343 PolarHBondContact O-N 2.73Å; Q1341-L1343 VanDerWaalsContact C-N 3.33Å; L1343-Y1345 VanDerWaalsContact C-N 3.34Å; L1343-Q1346 PolarHBondContact O-N 3.35Å; L1343-K1347 HydrophobicContact CG-CD 4.42Å; L1343-K1347 WeakPolarHBondContact O-CB 3.43Å; L1343-K1347 WeakPolarHBondContact O-CG 3.35Å; L1343-K1347 PolarHBondContact O-N 3.42Å |
| 1344 | I | 65.3 | Low | 63.8 | Low | 89 Ų | 89 | 62 Ų | 62 | 46% | 0.456 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 176.4 | -68 | 166.5 | 0 | 0 | 0 | 110.2 | E1340 Q1341 Q1346 K1347 T1348 | E1340-I1344 HydrophobicContact CG-CD1 4.38Å; E1340-I1344 WeakPolarHBondContact O-CG1 3.37Å; E1340-I1344 PolarHBondContact O-N 3.42Å; E1340-I1344 VanDerWaalsContact O-N 3.12Å; Q1341-I1344 PolarHBondContact O-N 3.33Å; I1344-Q1346 PolarHBondContact O-N 3.08Å; I1344-K1347 PolarHBondContact O-N 3.2Å; I1344-T1348 PolarHBondContact O-N 3.46Å; I1344-T1348 PolarHBondContact O-OG1 2.96Å; I1344-T1348 VanDerWaalsContact O-OG1 3.12Å |
| 1345 | Y | 69.8 | Low | 65.7 | Low | 23 Ų | 23 | 61.5 Ų | 61.5 | 9% | 0.09 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.3 | -51.6 | 176.5 | 172.9 | -94.7 | 0 | 0 | 0 | 112 | T1235 V1239 L1311 Q1341 L1343 K1347 T1348 L1349 | T1235-Y1345 HydrophobicContact CG2-CE2 3.8Å; T1235-Y1345 WeakPolarHBondContact CG2-OH 3.34Å; V1239-Y1345 HydrophobicContact CB-CD2 4.15Å; V1239-Y1345 HydrophobicContact CB-CE2 3.83Å; V1239-Y1345 HydrophobicContact CG1-CD2 4.22Å; V1239-Y1345 HydrophobicContact CG1-CE2 4.21Å; V1239-Y1345 HydrophobicContact CG2-CD2 4.21Å; V1239-Y1345 HydrophobicContact CG2-CE2 3.41Å; V1239-Y1345 VanDerWaalsContact CG2-CE2 3.41Å; L1311-Y1345 PolarHBondContact O-OH 3.25Å; Q1341-Y1345 WeakPolarHBondContact O-CB 3.41Å; Q1341-Y1345 PolarHBondContact O-N 2.73Å; Q1341-Y1345 VanDerWaalsContact O-N 3.09Å; L1343-Y1345 VanDerWaalsContact C-N 3.34Å; Y1345-K1347 PolarHBondContact O-N 3.14Å; Y1345-T1348 PolarHBondContact O-N 3.49Å; Y1345-L1349 HydrophobicContact CE1-CD2 4.12Å; Y1345-L1349 WeakPolarHBondContact O-CB 3.46Å; Y1345-L1349 PolarHBondContact O-N 3.29Å |
| 1346 | Q | 66.4 | Low | 67.7 | Low | 39 Ų | 39 | 54.2 Ų | 54.2 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 178.9 | -76.3 | -175 | -12 | 0 | 0 | 112.5 | Y1334 G1342 L1343 I1344 G1350 F1401 | Y1334-Q1346 VanDerWaalsContact CZ-NE2 3.32Å; Y1334-Q1346 PolarHBondContact OH-NE2 2.94Å; G1342-Q1346 WeakPolarHBondContact O-CG 3.5Å; G1342-Q1346 PolarHBondContact O-N 3.05Å; L1343-Q1346 PolarHBondContact O-N 3.35Å; I1344-Q1346 PolarHBondContact O-N 3.08Å; Q1346-G1350 PolarHBondContact O-N 3.44Å; Q1346-F1401 VanDerWaalsContact O-CE2 3.31Å; Q1346-F1401 WeakPolarHBondContact O-CE2 3.3Å |
| 1347 | K | 69.9 | Low | 69.2 | Low | 89 Ų | 89 | 50.7 Ų | 50.7 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 177.3 | -76.2 | -177.1 | 179.3 | -174.6 | 0 | 112.3 | L1343 I1344 Y1345 K1351 D1408 | L1343-K1347 HydrophobicContact CG-CD 4.42Å; L1343-K1347 WeakPolarHBondContact O-CB 3.43Å; L1343-K1347 WeakPolarHBondContact O-CG 3.35Å; L1343-K1347 PolarHBondContact O-N 3.42Å; I1344-K1347 PolarHBondContact O-N 3.2Å; Y1345-K1347 PolarHBondContact O-N 3.14Å; K1347-K1351 WeakPolarHBondContact O-CG 3.4Å; K1347-K1351 PolarHBondContact O-N 2.56Å; K1347-K1351 VanDerWaalsContact O-N 3.14Å; K1347-D1408 WeakPolarHBondContact CE-OD2 3.4Å; K1347-D1408 IonicContact NZ-OD2 3.08Å; K1347-D1408 PolarHBondContact NZ-OD2 3.25Å |
| 1348 | T | 75.9 | Confident | 70.3 | Confident | 36 Ų | 36 | 51 Ų | 51 | 22% | 0.221 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.3 | -44.8 | 179.1 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | V1239 I1344 Y1345 K1351 Q1352 | V1239-T1348 HydrophobicContact CG1-CG2 3.76Å; I1344-T1348 PolarHBondContact O-N 3.46Å; I1344-T1348 PolarHBondContact O-OG1 2.96Å; I1344-T1348 VanDerWaalsContact O-OG1 3.12Å; Y1345-T1348 PolarHBondContact O-N 3.49Å; T1348-K1351 PolarHBondContact O-N 3.25Å; T1348-Q1352 WeakPolarHBondContact O-CG 3.35Å; T1348-Q1352 PolarHBondContact O-N 3.5Å |
| 1349 | L | 78.4 | Confident | 71 | Confident | 13 Ų | 13 | 48.7 Ų | 48.7 | 7% | 0.068 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 176.3 | -179.9 | 62.5 | 0 | 0 | 0 | 111.5 | V1239 L1244 Y1345 K1351 Q1352 L1353 | V1239-L1349 HydrophobicContact CG1-CB 4.11Å; V1239-L1349 HydrophobicContact CG2-CD1 4.32Å; L1244-L1349 HydrophobicContact CD2-CD1 3.79Å; Y1345-L1349 HydrophobicContact CE1-CD2 4.12Å; Y1345-L1349 WeakPolarHBondContact O-CB 3.46Å; Y1345-L1349 PolarHBondContact O-N 3.29Å; L1349-K1351 PolarHBondContact O-N 3.45Å; L1349-Q1352 WeakPolarHBondContact O-CB 3.35Å; L1349-Q1352 PolarHBondContact O-N 3.48Å; L1349-Q1352 VanDerWaalsContact O-N 3.14Å; L1349-L1353 HydrophobicContact CG-CD1 4.34Å; L1349-L1353 WeakPolarHBondContact O-CG 3.5Å; L1349-L1353 PolarHBondContact O-N 3.09Å |
| 1350 | G | 74.8 | Confident | 71.3 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60 | -43.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1346 Q1352 L1353 I1354 F1401 | Q1346-G1350 PolarHBondContact O-N 3.44Å; G1350-Q1352 VanDerWaalsContact C-N 3.33Å; G1350-Q1352 PolarHBondContact O-N 3.14Å; G1350-L1353 PolarHBondContact O-N 3.21Å; G1350-I1354 WeakPolarHBondContact O-CG1 3.36Å; G1350-I1354 PolarHBondContact O-N 3.45Å; G1350-F1401 VanDerWaalsContact CA-CD1 3.41Å; G1350-F1401 VanDerWaalsContact CA-CG 3.41Å |
| 1351 | K | 78.3 | Confident | 71.1 | Confident | 138 Ų | 138 | 44.9 Ų | 44.9 | 60% | 0.6 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -59.7 | -41 | 172.7 | -75.4 | 178.3 | 179.1 | -174.4 | 0 | 112.5 | K1347 T1348 L1349 I1354 N1355 | K1347-K1351 WeakPolarHBondContact O-CG 3.4Å; K1347-K1351 PolarHBondContact O-N 2.56Å; K1347-K1351 VanDerWaalsContact O-N 3.14Å; T1348-K1351 PolarHBondContact O-N 3.25Å; L1349-K1351 PolarHBondContact O-N 3.45Å; K1351-I1354 PolarHBondContact O-N 3.28Å; K1351-N1355 VanDerWaalsContact O-CG 3.29Å; K1351-N1355 PolarHBondContact O-N 2.78Å; K1351-N1355 PolarHBondContact O-OD1 3.28Å |
| 1352 | Q | 83.3 | Confident | 70.6 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 176.8 | -72.1 | 174.5 | 49.9 | 0 | 0 | 112.1 | V1239 H1242 T1348 L1349 G1350 N1355 L1356 | V1239-Q1352 PolarHBondContact O-NE2 3.06Å; H1242-Q1352 WeakPolarHBondContact ND1-CG 3.41Å; T1348-Q1352 WeakPolarHBondContact O-CG 3.35Å; T1348-Q1352 PolarHBondContact O-N 3.5Å; L1349-Q1352 WeakPolarHBondContact O-CB 3.35Å; L1349-Q1352 PolarHBondContact O-N 3.48Å; L1349-Q1352 VanDerWaalsContact O-N 3.14Å; G1350-Q1352 VanDerWaalsContact C-N 3.33Å; G1350-Q1352 PolarHBondContact O-N 3.14Å; Q1352-N1355 PolarHBondContact O-N 3.22Å; Q1352-L1356 WeakPolarHBondContact O-CB 3.35Å; Q1352-L1356 WeakPolarHBondContact O-CG 3.31Å; Q1352-L1356 PolarHBondContact O-N 3.07Å |
| 1353 | L | 82.6 | Confident | 69.8 | Low | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 177.7 | -68.5 | 174.2 | 0 | 0 | 0 | 112.3 | L1244 L1349 G1350 L1356 L1357 L1394 Q1397 F1398 | L1244-L1353 HydrophobicContact CD2-CD2 3.78Å; L1244-L1353 HydrophobicContact CD2-CG 4.36Å; L1349-L1353 HydrophobicContact CG-CD1 4.34Å; L1349-L1353 WeakPolarHBondContact O-CG 3.5Å; L1349-L1353 PolarHBondContact O-N 3.09Å; G1350-L1353 PolarHBondContact O-N 3.21Å; L1353-L1356 PolarHBondContact O-N 3.38Å; L1353-L1357 WeakPolarHBondContact O-CB 3.45Å; L1353-L1357 WeakPolarHBondContact O-CG 3.4Å; L1353-L1357 PolarHBondContact O-N 3.18Å; L1353-L1357 VanDerWaalsContact O-N 3.13Å; L1353-L1394 HydrophobicContact CD2-CD1 3.38Å; L1353-L1394 HydrophobicContact CD2-CG 4.22Å; L1353-Q1397 HydrophobicContact CD1-CB 4.4Å; L1353-F1398 HydrophobicContact CB-CB 4.43Å; L1353-F1398 HydrophobicContact CB-CD2 4.06Å; L1353-F1398 HydrophobicContact CD1-CB 4.36Å |
| 1354 | I | 77.2 | Confident | 68.9 | Low | 28 Ų | 28 | 55.5 Ų | 55.5 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.2 | -53 | 174.3 | -70.7 | 169.9 | 0 | 0 | 0 | 109.9 | G1350 K1351 L1356 L1357 F1358 F1398 F1401 | G1350-I1354 WeakPolarHBondContact O-CG1 3.36Å; G1350-I1354 PolarHBondContact O-N 3.45Å; K1351-I1354 PolarHBondContact O-N 3.28Å; I1354-L1356 VanDerWaalsContact C-N 3.27Å; I1354-L1356 PolarHBondContact O-N 3.32Å; I1354-L1357 PolarHBondContact O-N 3Å; I1354-F1358 HydrophobicContact CG2-CB 4.41Å; I1354-F1358 WeakPolarHBondContact O-CA 3.48Å; I1354-F1358 WeakPolarHBondContact O-CB 3.5Å; I1354-F1358 PolarHBondContact O-N 2.83Å; I1354-F1398 HydrophobicContact CG1-CD2 4.46Å; I1354-F1398 HydrophobicContact CG1-CE2 3.89Å; I1354-F1401 HydrophobicContact CD1-CD1 3.83Å; I1354-F1401 HydrophobicContact CD1-CE1 3.53Å; I1354-F1401 HydrophobicContact CG1-CD1 4.38Å; I1354-F1401 HydrophobicContact CG1-CE1 4.46Å |
| 1355 | N | 78.9 | Confident | 68.4 | Low | 88 Ų | 88 | 59.1 Ų | 59.1 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.6 | -37.8 | -177.9 | -67.9 | -0.6 | 0 | 0 | 0 | 112.3 | K1351 Q1352 G1359 | K1351-N1355 VanDerWaalsContact O-CG 3.29Å; K1351-N1355 PolarHBondContact O-N 2.78Å; K1351-N1355 PolarHBondContact O-OD1 3.28Å; Q1352-N1355 PolarHBondContact O-N 3.22Å; N1355-G1359 WeakPolarHBondContact O-CA 3.44Å; N1355-G1359 PolarHBondContact O-N 3.14Å; N1355-G1359 VanDerWaalsContact O-N 3.14Å |
| 1356 | L | 81.7 | Confident | 68.3 | Low | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.1 | -35.6 | 178.9 | -79.6 | 170.4 | 0 | 0 | 0 | 114.1 | L1244 T1245 I1248 H1249 Q1352 L1353 I1354 | L1244-L1356 HydrophobicContact CD2-CD1 4.21Å; L1244-L1356 HydrophobicContact CG-CD1 3.98Å; T1245-L1356 HydrophobicContact CG2-CD2 3.94Å; T1245-L1356 HydrophobicContact CG2-CG 4.33Å; I1248-L1356 HydrophobicContact CB-CD1 4.49Å; I1248-L1356 HydrophobicContact CB-CD2 4.01Å; I1248-L1356 HydrophobicContact CG1-CD1 4.27Å; I1248-L1356 HydrophobicContact CG2-CD2 3.94Å; H1249-L1356 WeakPolarHBondContact NE2-CD2 3.41Å; Q1352-L1356 WeakPolarHBondContact O-CB 3.35Å; Q1352-L1356 WeakPolarHBondContact O-CG 3.31Å; Q1352-L1356 PolarHBondContact O-N 3.07Å; L1353-L1356 PolarHBondContact O-N 3.38Å; I1354-L1356 VanDerWaalsContact C-N 3.27Å; I1354-L1356 PolarHBondContact O-N 3.32Å |
| 1357 | L | 78.8 | Confident | 68.4 | Low | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -102 | -23.6 | -173.1 | -65.5 | 173.5 | 0 | 0 | 0 | 113.6 | L1353 I1354 V1369 T1372 H1373 I1376 L1395 F1398 L1433 | L1353-L1357 WeakPolarHBondContact O-CB 3.45Å; L1353-L1357 WeakPolarHBondContact O-CG 3.4Å; L1353-L1357 PolarHBondContact O-N 3.18Å; L1353-L1357 VanDerWaalsContact O-N 3.13Å; I1354-L1357 PolarHBondContact O-N 3Å; L1357-V1369 VanDerWaalsContact O-CG1 3.29Å; L1357-V1369 WeakPolarHBondContact O-CG1 3.15Å; L1357-T1372 HydrophobicContact CD2-CG2 4.07Å; L1357-H1373 PolarHBondContact O-CE1 2.67Å; L1357-H1373 PolarHBondContact O-NE2 3.49Å; L1357-I1376 HydrophobicContact CD2-CD1 3.38Å; L1357-L1395 HydrophobicContact CD1-CD2 4.07Å; L1357-L1395 HydrophobicContact CD2-CD2 4.48Å; L1357-F1398 HydrophobicContact CD1-CB 3.93Å; L1357-F1398 HydrophobicContact CD1-CD1 3.93Å; L1357-F1398 HydrophobicContact CD1-CD2 3.79Å; L1357-F1398 HydrophobicContact CD1-CE1 4.48Å; L1357-F1398 HydrophobicContact CD1-CE2 4.34Å; L1357-F1398 HydrophobicContact CD1-CG 3.57Å; L1357-L1433 HydrophobicContact CB-CD2 4.14Å; L1357-L1433 WeakPolarHBondContact O-CD2 3.45Å |
| 1358 | F | 72.9 | Confident | 68.5 | Low | 37 Ų | 37 | 61.3 Ų | 61.3 | 16% | 0.162 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -119.2 | -17.2 | -175.2 | -92.3 | -79.5 | 0 | 0 | 0 | 114.6 | I1354 L1362 F1398 T1429 A1430 L1433 | I1354-F1358 HydrophobicContact CG2-CB 4.41Å; I1354-F1358 WeakPolarHBondContact O-CA 3.48Å; I1354-F1358 WeakPolarHBondContact O-CB 3.5Å; I1354-F1358 PolarHBondContact O-N 2.83Å; F1358-L1362 HydrophobicContact CD1-CD2 4.15Å; F1358-F1398 HydrophobicContact CD2-CE1 4.35Å; F1358-F1398 HydrophobicContact CD2-CE2 4.02Å; F1358-F1398 AromaticContact CD2-CZ 3.46Å; F1358-F1398 HydrophobicContact CD2-CZ 3.46Å; F1358-F1398 VanDerWaalsContact CD2-CZ 3.46Å; F1358-F1398 AromaticContact CE2-CE1 3.87Å; F1358-F1398 HydrophobicContact CE2-CE1 3.87Å; F1358-F1398 HydrophobicContact CE2-CE2 4.34Å; F1358-F1398 AromaticContact CE2-CZ 3.36Å; F1358-F1398 HydrophobicContact CE2-CZ 3.36Å; F1358-T1429 VanDerWaalsContact CZ-C 3.49Å; F1358-T1429 WeakPolarHBondContact CZ-O 3.31Å; F1358-A1430 HydrophobicContact CE2-CB 4.03Å; F1358-A1430 HydrophobicContact CZ-CB 4.17Å; F1358-L1433 HydrophobicContact CD2-CD2 3.81Å; F1358-L1433 HydrophobicContact CE1-CB 4.48Å; F1358-L1433 HydrophobicContact CE1-CD2 4.19Å; F1358-L1433 HydrophobicContact CE2-CB 4.09Å; F1358-L1433 HydrophobicContact CE2-CD2 3.25Å; F1358-L1433 HydrophobicContact CE2-CG 4.28Å; F1358-L1433 HydrophobicContact CG-CD2 4.47Å; F1358-L1433 HydrophobicContact CZ-CB 3.6Å; F1358-L1433 HydrophobicContact CZ-CD2 3.45Å; F1358-L1433 VanDerWaalsContact CZ-CD2 3.45Å; F1358-L1433 HydrophobicContact CZ-CG 4.13Å |
| 1359 | G | 68 | Low | 68.6 | Low | 7 Ų | 7 | 59.9 Ų | 59.9 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | trans | 77.8 | 173.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1355 | N1355-G1359 WeakPolarHBondContact O-CA 3.44Å; N1355-G1359 PolarHBondContact O-N 3.14Å; N1355-G1359 VanDerWaalsContact O-N 3.14Å | ||
| 1360 | S | 58.5 | Low | 68.4 | Low | 84 Ų | 84 | 62.8 Ų | 62.8 | 59% | 0.587 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -84.9 | -26.7 | -179.6 | 62.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1361 | D | 53.3 | Low | 68.7 | Low | 116 Ų | 116 | 62.7 Ų | 62.7 | 62% | 0.62 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -128.2 | 127.5 | 175.8 | -79.6 | -41.1 | 0 | 0 | 0 | 110.4 | D1363 | D1361-D1363 PolarHBondContact O-N 3.33Š|
| 1362 | L | 46.8 | Very low | 69 | Low | 98 Ų | 98 | 56.3 Ų | 56.3 | 51% | 0.513 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12 | -174.7 | -76.1 | 163.1 | 0 | 0 | 0 | 114.9 | F1358 D1426 | F1358-L1362 HydrophobicContact CD1-CD2 4.15Å; L1362-D1426 HydrophobicContact CD1-CB 4.49Å; L1362-D1426 WeakPolarHBondContact CD2-OD1 2.95Å |
| 1363 | D | 43.7 | Very low | 69.1 | Low | 137 Ų | 137 | 56.7 Ų | 56.7 | 73% | 0.733 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -13.6 | -169.3 | -68.9 | -37.4 | 0 | 0 | 0 | 113.6 | D1361 | D1361-D1363 PolarHBondContact O-N 3.33Š|
| 1364 | D | 42.6 | Very low | 69.1 | Low | 124 Ų | 124 | 59.8 Ų | 59.8 | 66% | 0.663 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -119 | 114.2 | 175.4 | -84.5 | -36.2 | 0 | 0 | 0 | 110.7 | E1366 | D1364-E1366 PolarHBondContact O-N 3.02Š|
| 1365 | Y | 55.7 | Low | 69.5 | Low | 165 Ų | 165 | 58.6 Ų | 58.6 | 65% | 0.647 | 30% | 0.301 | S | S | * | . | trans | -73.6 | 80.3 | 175.7 | -153.2 | -94.6 | 0 | 0 | 0 | 109.1 | K1370 H1373 | Y1365-K1370 HydrophobicContact CD1-CB 4.32Å; Y1365-K1370 HydrophobicContact CE1-CB 3.9Å; Y1365-K1370 HydrophobicContact CE1-CG 4.28Å; Y1365-H1373 PolarHBondContact OH-ND1 3.06Å | ||
| 1366 | E | 65.7 | Low | 69.9 | Low | 65 Ų | 65 | 54.9 Ų | 54.9 | 30% | 0.304 | 28% | 0.281 | S | S | . | . | trans | -54.4 | 134.7 | -176 | -78.1 | -179.4 | -179.1 | 0 | 0 | 111 | D1364 E1368 V1369 K1370 | D1364-E1366 PolarHBondContact O-N 3.02Å; E1366-E1368 PolarHBondContact O-N 2.97Å; E1366-E1368 VanDerWaalsContact O-N 3.12Å; E1366-V1369 HydrophobicContact CB-CG2 4.09Å; E1366-V1369 WeakPolarHBondContact O-CB 3.43Å; E1366-V1369 PolarHBondContact O-N 3.27Å; E1366-K1370 PolarHBondContact O-N 3.33Å | ||
| 1367 | P | 70.2 | Confident | 70 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.6 | -27.1 | -180 | 19.2 | -27.9 | 0 | 0 | 0 | 113.1 | A1371 | P1367-A1371 WeakPolarHBondContact O-CB 3.44Å; P1367-A1371 PolarHBondContact O-N 3.49Å |
| 1368 | E | 71.7 | Confident | 70.4 | Confident | 75 Ų | 75 | 57 Ų | 57 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 175.4 | -64.7 | 75.5 | -165.8 | 0 | 0 | 112.6 | E1366 A1371 T1372 | E1366-E1368 PolarHBondContact O-N 2.97Å; E1366-E1368 VanDerWaalsContact O-N 3.12Å; E1368-A1371 PolarHBondContact O-N 3.47Å; E1368-T1372 PolarHBondContact O-N 2.88Å; E1368-T1372 PolarHBondContact O-OG1 3.45Å |
| 1369 | V | 76.5 | Confident | 71 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | L1357 E1366 A1371 T1372 H1373 | L1357-V1369 VanDerWaalsContact O-CG1 3.29Å; L1357-V1369 WeakPolarHBondContact O-CG1 3.15Å; E1366-V1369 HydrophobicContact CB-CG2 4.09Å; E1366-V1369 WeakPolarHBondContact O-CB 3.43Å; E1366-V1369 PolarHBondContact O-N 3.27Å; V1369-A1371 VanDerWaalsContact C-N 3.33Å; V1369-A1371 PolarHBondContact O-N 3.19Å; V1369-T1372 PolarHBondContact O-N 3.41Å; V1369-H1373 WeakPolarHBondContact CG1-CE1 3.38Å; V1369-H1373 PolarHBondContact O-CD2 3.43Å; V1369-H1373 VanDerWaalsContact O-CG 3.23Å; V1369-H1373 PolarHBondContact O-N 2.98Å |
| 1370 | K | 76.1 | Confident | 71.9 | Confident | 74 Ų | 74 | 55.1 Ų | 55.1 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 174.9 | -173.9 | -178.2 | 171.3 | -171.3 | 0 | 111.8 | S1260 Y1365 E1366 T1372 H1373 E1374 | S1260-K1370 PolarHBondContact OG-NZ 2.94Å; Y1365-K1370 HydrophobicContact CD1-CB 4.32Å; Y1365-K1370 HydrophobicContact CE1-CB 3.9Å; Y1365-K1370 HydrophobicContact CE1-CG 4.28Å; E1366-K1370 PolarHBondContact O-N 3.33Å; K1370-T1372 VanDerWaalsContact C-N 3.34Å; K1370-T1372 PolarHBondContact O-N 3.25Å; K1370-H1373 WeakPolarHBondContact O-CB 3.37Å; K1370-H1373 PolarHBondContact O-N 2.93Å; K1370-E1374 WeakPolarHBondContact CE-OE1 3.43Å; K1370-E1374 PolarHBondContact O-N 3.4Å |
| 1371 | A | 80.3 | Confident | 72.9 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C1252 L1257 T1258 P1367 E1368 V1369 H1373 E1374 L1375 | C1252-A1371 HydrophobicContact CB-CB 3.78Å; L1257-A1371 HydrophobicContact CB-CB 3.43Å; L1257-A1371 VanDerWaalsContact CB-CB 3.43Å; L1257-A1371 HydrophobicContact CD1-CB 4.48Å; L1257-A1371 WeakPolarHBondContact CD1-O 3.41Å; T1258-A1371 HydrophobicContact CG2-CB 3.84Å; P1367-A1371 WeakPolarHBondContact O-CB 3.44Å; P1367-A1371 PolarHBondContact O-N 3.49Å; E1368-A1371 PolarHBondContact O-N 3.47Å; V1369-A1371 VanDerWaalsContact C-N 3.33Å; V1369-A1371 PolarHBondContact O-N 3.19Å; A1371-H1373 VanDerWaalsContact C-N 3.32Å; A1371-H1373 PolarHBondContact O-N 3.29Å; A1371-E1374 PolarHBondContact O-N 3.45Å; A1371-L1375 PolarHBondContact O-N 3.21Å |
| 1372 | T | 83.9 | Confident | 74.2 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 176 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | I1248 L1357 E1368 V1369 K1370 L1375 I1376 | I1248-T1372 HydrophobicContact CG2-CG2 3.77Å; L1357-T1372 HydrophobicContact CD2-CG2 4.07Å; E1368-T1372 PolarHBondContact O-N 2.88Å; E1368-T1372 PolarHBondContact O-OG1 3.45Å; V1369-T1372 PolarHBondContact O-N 3.41Å; K1370-T1372 VanDerWaalsContact C-N 3.34Å; K1370-T1372 PolarHBondContact O-N 3.25Å; T1372-L1375 PolarHBondContact O-N 3.17Å; T1372-I1376 HydrophobicContact CG2-CD1 4.01Å; T1372-I1376 WeakPolarHBondContact O-CG1 3.5Å; T1372-I1376 PolarHBondContact O-N 3.21Å |
| 1373 | H | 85.5 | Confident | 75.7 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 175.2 | -66.9 | 167.3 | 0 | 0 | 0 | 112.7 | L1357 Y1365 V1369 K1370 A1371 I1376 Q1377 L1433 L1437 | L1357-H1373 PolarHBondContact O-CE1 2.67Å; L1357-H1373 PolarHBondContact O-NE2 3.49Å; Y1365-H1373 PolarHBondContact OH-ND1 3.06Å; V1369-H1373 WeakPolarHBondContact CG1-CE1 3.38Å; V1369-H1373 PolarHBondContact O-CD2 3.43Å; V1369-H1373 VanDerWaalsContact O-CG 3.23Å; V1369-H1373 PolarHBondContact O-N 2.98Å; K1370-H1373 WeakPolarHBondContact O-CB 3.37Å; K1370-H1373 PolarHBondContact O-N 2.93Å; A1371-H1373 VanDerWaalsContact C-N 3.32Å; A1371-H1373 PolarHBondContact O-N 3.29Å; H1373-I1376 PolarHBondContact O-N 3.42Å; H1373-Q1377 WeakPolarHBondContact O-CG 3.26Å; H1373-Q1377 PolarHBondContact O-N 2.63Å; H1373-L1433 WeakPolarHBondContact CE1-CD1 3.38Å; H1373-L1437 HydrophobicContact CB-CD2 3.56Å |
| 1374 | E | 82 | Confident | 77.5 | Confident | 69 Ų | 69 | 47.9 Ų | 47.9 | 32% | 0.322 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 176.4 | -71.5 | -177.4 | -169.8 | 0 | 0 | 111.9 | L1257 L1288 K1370 A1371 Q1377 W1378 | L1257-E1374 HydrophobicContact CD1-CB 4.38Å; L1288-E1374 HydrophobicContact CD1-CB 4.4Å; K1370-E1374 WeakPolarHBondContact CE-OE1 3.43Å; K1370-E1374 PolarHBondContact O-N 3.4Å; A1371-E1374 PolarHBondContact O-N 3.45Å; E1374-Q1377 PolarHBondContact O-N 3.04Å; E1374-W1378 PolarHBondContact O-N 2.88Å |
| 1375 | L | 86.8 | Confident | 79.4 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 175.1 | -177.7 | 64.6 | 0 | 0 | 0 | 112 | I1248 L1251 L1257 L1288 L1305 A1371 T1372 Q1377 W1378 C1379 | I1248-L1375 HydrophobicContact CD1-CD2 4.29Å; I1248-L1375 HydrophobicContact CG2-CD2 4.32Å; L1251-L1375 HydrophobicContact CB-CD2 3.98Å; L1251-L1375 HydrophobicContact CD1-CD2 4.14Å; L1257-L1375 HydrophobicContact CD1-CB 4.33Å; L1288-L1375 HydrophobicContact CD2-CD1 4.03Å; L1305-L1375 HydrophobicContact CD2-CD2 4.41Å; A1371-L1375 PolarHBondContact O-N 3.21Å; T1372-L1375 PolarHBondContact O-N 3.17Å; L1375-Q1377 PolarHBondContact O-N 3.45Å; L1375-W1378 WeakPolarHBondContact O-CB 3.41Å; L1375-W1378 PolarHBondContact O-N 3.27Å; L1375-C1379 PolarHBondContact O-N 2.97Å; L1375-C1379 PolarHBondContact O-SG 2.99Å; L1375-C1379 VanDerWaalsContact O-SG 3.34Å |
| 1376 | I | 86.8 | Confident | 80.6 | Confident | 11 Ų | 11 | 40.9 Ų | 40.9 | 6% | 0.056 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 178.1 | -69.5 | 169.1 | 0 | 0 | 0 | 111.3 | L1357 T1372 H1373 W1378 C1379 F1380 L1394 L1395 L1437 | L1357-I1376 HydrophobicContact CD2-CD1 3.38Å; T1372-I1376 HydrophobicContact CG2-CD1 4.01Å; T1372-I1376 WeakPolarHBondContact O-CG1 3.5Å; T1372-I1376 PolarHBondContact O-N 3.21Å; H1373-I1376 PolarHBondContact O-N 3.42Å; I1376-W1378 VanDerWaalsContact C-N 3.28Å; I1376-W1378 PolarHBondContact O-N 3.31Å; I1376-C1379 WeakPolarHBondContact O-CB 3.47Å; I1376-C1379 PolarHBondContact O-N 2.85Å; I1376-F1380 HydrophobicContact CG2-CD2 4.22Å; I1376-F1380 HydrophobicContact CG2-CE2 3.57Å; I1376-F1380 HydrophobicContact CG2-CZ 3.96Å; I1376-F1380 WeakPolarHBondContact O-CD2 3.42Å; I1376-F1380 PolarHBondContact O-N 2.96Å; I1376-L1394 HydrophobicContact CD1-CD2 4.41Å; I1376-L1395 HydrophobicContact CD1-CD2 4.27Å; I1376-L1395 HydrophobicContact CG2-CD1 4.16Å; I1376-L1437 HydrophobicContact CG2-CD1 4.4Å |
| 1377 | Q | 83.9 | Confident | 81.4 | Confident | 38 Ų | 38 | 37.9 Ų | 37.9 | 18% | 0.178 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -34.6 | 175 | -75.2 | -178.1 | -11.3 | 0 | 0 | 112.4 | H1373 E1374 L1375 K1381 L1437 | H1373-Q1377 WeakPolarHBondContact O-CG 3.26Å; H1373-Q1377 PolarHBondContact O-N 2.63Å; E1374-Q1377 PolarHBondContact O-N 3.04Å; L1375-Q1377 PolarHBondContact O-N 3.45Å; Q1377-K1381 WeakPolarHBondContact O-CG 3.42Å; Q1377-K1381 PolarHBondContact O-N 2.94Å; Q1377-L1437 HydrophobicContact CG-CD2 4.27Å |
| 1378 | W | 86.3 | Confident | 82.1 | Confident | 17 Ų | 17 | 37.4 Ų | 37.4 | 6% | 0.064 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.7 | -42.9 | 171.9 | 177.1 | 88.9 | 0 | 0 | 0 | 111.8 | L1288 L1291 L1298 T1301 L1305 E1374 L1375 I1376 F1380 K1381 S1382 I1387 | L1288-W1378 HydrophobicContact CB-CG 4.33Å; L1288-W1378 HydrophobicContact CD1-CB 4.05Å; L1288-W1378 HydrophobicContact CD2-CB 4.26Å; L1288-W1378 HydrophobicContact CD2-CD2 4.3Å; L1288-W1378 HydrophobicContact CD2-CG 4.03Å; L1288-W1378 PolarHBondContact O-NE1 3.24Å; L1291-W1378 HydrophobicContact CB-CZ2 3.77Å; L1291-W1378 HydrophobicContact CD1-CD2 4.23Å; L1291-W1378 HydrophobicContact CD1-CH2 4.11Å; L1291-W1378 HydrophobicContact CD1-CZ2 3.59Å; L1291-W1378 HydrophobicContact CG-CZ2 4.18Å; L1298-W1378 HydrophobicContact CD1-CH2 3.73Å; L1298-W1378 HydrophobicContact CD1-CZ2 3.82Å; T1301-W1378 HydrophobicContact CG2-CH2 4.27Å; T1301-W1378 HydrophobicContact CG2-CZ3 4.2Å; L1305-W1378 HydrophobicContact CD1-CZ3 3.95Å; E1374-W1378 PolarHBondContact O-N 2.88Å; L1375-W1378 WeakPolarHBondContact O-CB 3.41Å; L1375-W1378 PolarHBondContact O-N 3.27Å; I1376-W1378 VanDerWaalsContact C-N 3.28Å; I1376-W1378 PolarHBondContact O-N 3.31Å; W1378-F1380 PolarHBondContact O-N 3.12Å; W1378-K1381 CarbonylContact O-C 3.57Å; W1378-K1381 WeakPolarHBondContact O-CA 3.39Å; W1378-K1381 PolarHBondContact O-N 3.11Å; W1378-S1382 PolarHBondContact O-N 3.42Å; W1378-I1387 HydrophobicContact CH2-CD1 4.26Å; W1378-I1387 HydrophobicContact CZ3-CD1 4.33Å; W1378-I1387 HydrophobicContact CZ3-CG2 4.44Å |
| 1379 | C | 87.2 | Confident | 82.7 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.5 | -38.5 | 176.4 | -69.9 | 0 | 0 | 0 | 0 | 112.4 | L1375 I1376 K1381 S1382 I1387 A1391 | L1375-C1379 PolarHBondContact O-N 2.97Å; L1375-C1379 PolarHBondContact O-SG 2.99Å; L1375-C1379 VanDerWaalsContact O-SG 3.34Å; I1376-C1379 WeakPolarHBondContact O-CB 3.47Å; I1376-C1379 PolarHBondContact O-N 2.85Å; C1379-K1381 VanDerWaalsContact C-N 3.33Å; C1379-K1381 PolarHBondContact O-N 3.4Å; C1379-S1382 WeakPolarHBondContact O-CB 3.25Å; C1379-I1387 HydrophobicContact CB-CG2 3.54Å; C1379-A1391 HydrophobicContact CB-CB 3.75Å |
| 1380 | F | 86.2 | Confident | 83.1 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.8 | -26.8 | 175.9 | -66.3 | -36.4 | 0 | 0 | 0 | 114.4 | I1376 W1378 K1388 A1391 L1395 L1438 F1458 | I1376-F1380 HydrophobicContact CG2-CD2 4.22Å; I1376-F1380 HydrophobicContact CG2-CE2 3.57Å; I1376-F1380 HydrophobicContact CG2-CZ 3.96Å; I1376-F1380 WeakPolarHBondContact O-CD2 3.42Å; I1376-F1380 PolarHBondContact O-N 2.96Å; W1378-F1380 PolarHBondContact O-N 3.12Å; F1380-K1388 WeakPolarHBondContact O-CE 3.11Å; F1380-A1391 HydrophobicContact CD1-CB 4.06Å; F1380-A1391 HydrophobicContact CE1-CB 3.57Å; F1380-A1391 HydrophobicContact CZ-CB 4.19Å; F1380-L1395 HydrophobicContact CE2-CD1 3.85Å; F1380-L1395 HydrophobicContact CZ-CD1 3.52Å; F1380-L1395 HydrophobicContact CZ-CG 4.42Å; F1380-L1438 HydrophobicContact CD2-CD2 4.4Å; F1380-L1438 HydrophobicContact CE1-CD2 4.5Å; F1380-L1438 HydrophobicContact CE2-CD2 3.81Å; F1380-L1438 HydrophobicContact CZ-CD2 3.88Å; F1380-F1458 HydrophobicContact CB-CZ 3.88Å; F1380-F1458 HydrophobicContact CD1-CE1 4.5Å; F1380-F1458 AromaticContact CD1-CE2 3.54Å; F1380-F1458 HydrophobicContact CD1-CE2 3.54Å; F1380-F1458 AromaticContact CD1-CZ 3.33Å; F1380-F1458 HydrophobicContact CD1-CZ 3.33Å; F1380-F1458 AromaticContact CE1-CE2 3.78Å; F1380-F1458 HydrophobicContact CE1-CE2 3.78Å; F1380-F1458 HydrophobicContact CE1-CZ 4.06Å; F1380-F1458 HydrophobicContact CG-CE2 4.14Å; F1380-F1458 AromaticContact CG-CZ 3.78Å; F1380-F1458 HydrophobicContact CG-CZ 3.78Å |
| 1381 | K | 80.2 | Confident | 83.5 | Confident | 138 Ų | 138 | 32.1 Ų | 32.1 | 60% | 0.6 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -87.4 | -20.4 | 177.8 | -68.4 | 175.3 | -177.3 | 174.3 | 0 | 113.6 | Q1377 W1378 C1379 | Q1377-K1381 WeakPolarHBondContact O-CG 3.42Å; Q1377-K1381 PolarHBondContact O-N 2.94Å; W1378-K1381 CarbonylContact O-C 3.57Å; W1378-K1381 WeakPolarHBondContact O-CA 3.39Å; W1378-K1381 PolarHBondContact O-N 3.11Å; C1379-K1381 VanDerWaalsContact C-N 3.33Å; C1379-K1381 PolarHBondContact O-N 3.4Å |
| 1382 | S | 80.2 | Confident | 83.8 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | trans | -49.9 | 145.8 | -179.3 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | W1378 C1379 I1384 K1388 | W1378-S1382 PolarHBondContact O-N 3.42Å; C1379-S1382 WeakPolarHBondContact O-CB 3.25Å; S1382-I1384 PolarHBondContact O-N 3.37Å; S1382-I1384 PolarHBondContact OG-N 2.94Å; S1382-K1388 WeakPolarHBondContact O-CE 3.5Å; S1382-K1388 PolarHBondContact O-NZ 3.07Å | ||
| 1383 | S | 78.7 | Confident | 83.5 | Confident | 103 Ų | 103 | 32.2 Ų | 32.2 | 72% | 0.72 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -72.1 | -18.3 | 173.3 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | K1385 | S1383-K1385 PolarHBondContact O-N 2.75Š|
| 1384 | I | 81.5 | Confident | 83.5 | Confident | 40 Ų | 40 | 32.1 Ų | 32.1 | 21% | 0.205 | 16% | 0.159 | C | C | . | . | trans | -84.7 | 113.1 | -176 | -62.6 | 114.7 | 0 | 0 | 0 | 110.6 | L1298 S1382 E1386 I1387 K1388 | L1298-I1384 HydrophobicContact CD1-CD1 3.94Å; L1298-I1384 HydrophobicContact CD2-CD1 3.73Å; L1298-I1384 HydrophobicContact CG-CD1 4Å; S1382-I1384 PolarHBondContact O-N 3.37Å; S1382-I1384 PolarHBondContact OG-N 2.94Å; I1384-E1386 HydrophobicContact CG2-CB 4.07Å; I1384-E1386 PolarHBondContact O-N 2.85Å; I1384-I1387 HydrophobicContact CB-CD1 4.07Å; I1384-I1387 HydrophobicContact CB-CG1 4.35Å; I1384-I1387 HydrophobicContact CD1-CD1 4.2Å; I1384-I1387 HydrophobicContact CG2-CD1 4.31Å; I1384-I1387 HydrophobicContact CG2-CG1 4.2Å; I1384-I1387 PolarHBondContact O-N 3.09Å; I1384-K1388 PolarHBondContact O-N 3.47Å | ||
| 1385 | K | 82.1 | Confident | 83.6 | Confident | 71 Ų | 71 | 28.9 Ų | 28.9 | 31% | 0.309 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -57.8 | -33.4 | -178.2 | -59.7 | -166.2 | 177.1 | -159 | 0 | 112.7 | S1383 I1387 K1388 W1389 D1461 H1463 | S1383-K1385 PolarHBondContact O-N 2.75Å; K1385-I1387 PolarHBondContact O-N 3.34Å; K1385-K1388 WeakPolarHBondContact O-CB 3.44Å; K1385-K1388 PolarHBondContact O-N 3.47Å; K1385-K1388 VanDerWaalsContact O-N 3.15Å; K1385-W1389 VanDerWaalsContact C-CZ3 3.47Å; K1385-W1389 HydrophobicContact CB-CE3 3.79Å; K1385-W1389 HydrophobicContact CB-CH2 4.12Å; K1385-W1389 HydrophobicContact CB-CZ3 3.3Å; K1385-W1389 VanDerWaalsContact O-CD2 3.26Å; K1385-W1389 PolarHBondContact O-N 3.22Å; K1385-D1461 IonicContact NZ-OD1 3.03Å; K1385-D1461 PolarHBondContact NZ-OD1 2.84Å; K1385-D1461 IonicContact NZ-OD2 3.75Å; K1385-H1463 HydrophobicContact CD-CB 3.89Å |
| 1386 | E | 79.5 | Confident | 83.4 | Confident | 71 Ų | 71 | 29 Ų | 29 | 33% | 0.332 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 179.7 | -172.3 | 171.1 | -166.7 | 0 | 0 | 114.1 | L1306 I1384 K1388 W1389 N1390 | L1306-E1386 HydrophobicContact CD2-CG 3.79Å; L1306-E1386 VanDerWaalsContact CD2-OE1 3.25Å; L1306-E1386 WeakPolarHBondContact CD2-OE1 3.33Å; I1384-E1386 HydrophobicContact CG2-CB 4.07Å; I1384-E1386 PolarHBondContact O-N 2.85Å; E1386-K1388 VanDerWaalsContact C-N 3.3Å; E1386-K1388 PolarHBondContact O-N 3.33Å; E1386-W1389 HydrophobicContact CB-CH2 3.95Å; E1386-W1389 HydrophobicContact CB-CZ2 3.47Å; E1386-W1389 VanDerWaalsContact CB-CZ2 3.47Å; E1386-W1389 HydrophobicContact CG-CZ2 3.65Å; E1386-N1390 WeakPolarHBondContact CG-ND2 3.49Å; E1386-N1390 VanDerWaalsContact O-CB 3.23Å; E1386-N1390 WeakPolarHBondContact O-CB 3.4Å; E1386-N1390 VanDerWaalsContact O-CG 3.28Å; E1386-N1390 PolarHBondContact O-N 3.45Å; E1386-N1390 PolarHBondContact O-ND2 3.29Å |
| 1387 | I | 83.3 | Confident | 83 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 174.7 | -67.5 | 170.5 | 0 | 0 | 0 | 110.2 | Q1302 L1305 F1309 W1378 C1379 I1384 K1385 A1391 | Q1302-I1387 HydrophobicContact CG-CD1 3.54Å; Q1302-I1387 HydrophobicContact CG-CG1 4.39Å; L1305-I1387 HydrophobicContact CD1-CG2 4.42Å; F1309-I1387 HydrophobicContact CE2-CG2 4.31Å; W1378-I1387 HydrophobicContact CH2-CD1 4.26Å; W1378-I1387 HydrophobicContact CZ3-CD1 4.33Å; W1378-I1387 HydrophobicContact CZ3-CG2 4.44Å; C1379-I1387 HydrophobicContact CB-CG2 3.54Å; I1384-I1387 HydrophobicContact CB-CD1 4.07Å; I1384-I1387 HydrophobicContact CB-CG1 4.35Å; I1384-I1387 HydrophobicContact CD1-CD1 4.2Å; I1384-I1387 HydrophobicContact CG2-CD1 4.31Å; I1384-I1387 HydrophobicContact CG2-CG1 4.2Å; I1384-I1387 PolarHBondContact O-N 3.09Å; K1385-I1387 PolarHBondContact O-N 3.34Å; I1387-A1391 WeakPolarHBondContact O-CB 3.33Å; I1387-A1391 PolarHBondContact O-N 3.29Å |
| 1388 | K | 86.1 | Confident | 82.8 | Confident | 46 Ų | 46 | 29.4 Ų | 29.4 | 20% | 0.2 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.6 | -54.4 | -179.8 | -62.5 | -173.6 | -177.4 | -164.1 | 0 | 112.6 | F1380 S1382 I1384 K1385 E1386 N1390 A1391 C1392 F1458 L1466 | F1380-K1388 WeakPolarHBondContact O-CE 3.11Å; S1382-K1388 WeakPolarHBondContact O-CE 3.5Å; S1382-K1388 PolarHBondContact O-NZ 3.07Å; I1384-K1388 PolarHBondContact O-N 3.47Å; K1385-K1388 WeakPolarHBondContact O-CB 3.44Å; K1385-K1388 PolarHBondContact O-N 3.47Å; K1385-K1388 VanDerWaalsContact O-N 3.15Å; E1386-K1388 VanDerWaalsContact C-N 3.3Å; E1386-K1388 PolarHBondContact O-N 3.33Å; K1388-N1390 VanDerWaalsContact C-N 3.28Å; K1388-N1390 PolarHBondContact O-N 3.21Å; K1388-A1391 PolarHBondContact O-N 3.1Å; K1388-C1392 PolarHBondContact O-N 3.28Å; K1388-C1392 PolarHBondContact O-SG 2.99Å; K1388-C1392 VanDerWaalsContact O-SG 3.32Å; K1388-F1458 HydrophobicContact CB-CE1 4.33Å; K1388-F1458 HydrophobicContact CD-CE1 3.97Å; K1388-F1458 HydrophobicContact CG-CE1 4.47Å; K1388-L1466 HydrophobicContact CB-CD1 3.88Å; K1388-L1466 HydrophobicContact CD-CD2 4.5Å |
| 1389 | W | 84.2 | Confident | 82.3 | Confident | 27 Ų | 27 | 28.6 Ų | 28.6 | 10% | 0.102 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.9 | -31.2 | -175.6 | 63.5 | 64.3 | 0 | 0 | 0 | 112.1 | K1385 E1386 C1392 A1393 H1463 I1465 L1466 H1469 | K1385-W1389 VanDerWaalsContact C-CZ3 3.47Å; K1385-W1389 HydrophobicContact CB-CE3 3.79Å; K1385-W1389 HydrophobicContact CB-CH2 4.12Å; K1385-W1389 HydrophobicContact CB-CZ3 3.3Å; K1385-W1389 VanDerWaalsContact O-CD2 3.26Å; K1385-W1389 PolarHBondContact O-N 3.22Å; E1386-W1389 HydrophobicContact CB-CH2 3.95Å; E1386-W1389 HydrophobicContact CB-CZ2 3.47Å; E1386-W1389 VanDerWaalsContact CB-CZ2 3.47Å; E1386-W1389 HydrophobicContact CG-CZ2 3.65Å; W1389-C1392 WeakPolarHBondContact O-CB 3.3Å; W1389-C1392 PolarHBondContact O-N 3.48Å; W1389-A1393 WeakPolarHBondContact O-CB 3.37Å; W1389-A1393 PolarHBondContact O-N 3.06Å; W1389-H1463 AromaticContact CH2-CE1 3.64Å; W1389-H1463 AromaticContact CZ3-CE1 3.4Å; W1389-H1463 VanDerWaalsContact CZ3-CE1 3.4Å; W1389-H1463 WeakPolarHBondContact CZ3-CE1 3.4Å; W1389-H1463 AromaticContact CZ3-ND1 3.49Å; W1389-H1463 WeakPolarHBondContact CZ3-ND1 3.43Å; W1389-H1463 AromaticContact CZ3-NE2 3.88Å; W1389-I1465 HydrophobicContact CB-CG2 4.4Å; W1389-I1465 HydrophobicContact CD2-CB 4.36Å; W1389-I1465 HydrophobicContact CD2-CG2 3.74Å; W1389-I1465 HydrophobicContact CE3-CB 4.34Å; W1389-I1465 HydrophobicContact CE3-CG2 4.22Å; W1389-I1465 HydrophobicContact CG-CG2 3.85Å; W1389-L1466 HydrophobicContact CB-CB 4.4Å; W1389-L1466 HydrophobicContact CB-CD1 3.61Å; W1389-L1466 HydrophobicContact CE3-CB 4.18Å; W1389-H1469 HydrophobicContact CB-CB 4.2Å |
| 1390 | N | 83.4 | Confident | 81.4 | Confident | 18 Ų | 18 | 29.3 Ų | 29.3 | 10% | 0.096 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.3 | -39.1 | 175 | -80.7 | -30.8 | 0 | 0 | 0 | 112.3 | F1309 E1386 K1388 C1392 A1393 L1394 | F1309-N1390 HydrophobicContact CB-CB 3.65Å; F1309-N1390 HydrophobicContact CD1-CB 4.05Å; F1309-N1390 HydrophobicContact CD2-CB 3.34Å; F1309-N1390 HydrophobicContact CE2-CB 3.89Å; F1309-N1390 HydrophobicContact CG-CB 3.44Å; F1309-N1390 VanDerWaalsContact CG-CB 3.44Å; F1309-N1390 HydrophobicContact CZ-CB 4.47Å; E1386-N1390 WeakPolarHBondContact CG-ND2 3.49Å; E1386-N1390 VanDerWaalsContact O-CB 3.23Å; E1386-N1390 WeakPolarHBondContact O-CB 3.4Å; E1386-N1390 VanDerWaalsContact O-CG 3.28Å; E1386-N1390 PolarHBondContact O-N 3.45Å; E1386-N1390 PolarHBondContact O-ND2 3.29Å; K1388-N1390 VanDerWaalsContact C-N 3.28Å; K1388-N1390 PolarHBondContact O-N 3.21Å; N1390-C1392 VanDerWaalsContact C-N 3.32Å; N1390-A1393 WeakPolarHBondContact O-CB 3.42Å; N1390-A1393 PolarHBondContact O-N 2.83Å; N1390-L1394 PolarHBondContact O-N 2.92Å |
| 1391 | A | 86.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.5 | -38 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1309 C1379 F1380 I1387 K1388 L1394 L1395 | F1309-A1391 HydrophobicContact CE1-CB 4.4Å; F1309-A1391 HydrophobicContact CZ-CB 4.18Å; C1379-A1391 HydrophobicContact CB-CB 3.75Å; F1380-A1391 HydrophobicContact CD1-CB 4.06Å; F1380-A1391 HydrophobicContact CE1-CB 3.57Å; F1380-A1391 HydrophobicContact CZ-CB 4.19Å; I1387-A1391 WeakPolarHBondContact O-CB 3.33Å; I1387-A1391 PolarHBondContact O-N 3.29Å; K1388-A1391 PolarHBondContact O-N 3.1Å; A1391-L1394 PolarHBondContact O-N 2.87Å; A1391-L1395 PolarHBondContact O-N 3.29Å |
| 1392 | C | 85.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 172.6 | -68.5 | 0 | 0 | 0 | 0 | 112.2 | K1388 W1389 N1390 L1395 S1396 F1458 H1469 L1473 | K1388-C1392 PolarHBondContact O-N 3.28Å; K1388-C1392 PolarHBondContact O-SG 2.99Å; K1388-C1392 VanDerWaalsContact O-SG 3.32Å; W1389-C1392 WeakPolarHBondContact O-CB 3.3Å; W1389-C1392 PolarHBondContact O-N 3.48Å; N1390-C1392 VanDerWaalsContact C-N 3.32Å; C1392-L1395 PolarHBondContact O-N 3Å; C1392-S1396 VanDerWaalsContact O-CB 3.3Å; C1392-S1396 WeakPolarHBondContact O-CB 3.41Å; C1392-S1396 PolarHBondContact O-N 3.09Å; C1392-F1458 WeakPolarHBondContact SG-CD2 3.38Å; C1392-F1458 WeakPolarHBondContact SG-CE2 3.22Å; C1392-H1469 HydrophobicContact CB-CB 4.02Å; C1392-L1473 HydrophobicContact CB-CD2 4.3Å |
| 1393 | A | 79 | Confident | 79.6 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 5% | 0.05 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | C1313 W1389 N1390 S1396 Q1397 H1469 | C1313-A1393 HydrophobicContact CB-CB 4.48Å; C1313-A1393 WeakPolarHBondContact SG-CB 3.23Å; W1389-A1393 WeakPolarHBondContact O-CB 3.37Å; W1389-A1393 PolarHBondContact O-N 3.06Å; N1390-A1393 WeakPolarHBondContact O-CB 3.42Å; N1390-A1393 PolarHBondContact O-N 2.83Å; A1393-S1396 WeakPolarHBondContact O-CB 3.44Å; A1393-S1396 PolarHBondContact O-N 3.16Å; A1393-Q1397 WeakPolarHBondContact O-CG 3.37Å; A1393-Q1397 PolarHBondContact O-N 2.69Å; A1393-H1469 WeakPolarHBondContact CB-ND1 3.41Å |
| 1394 | L | 84.2 | Confident | 78.8 | Confident | 9 Ų | 9 | 22.9 Ų | 22.9 | 5% | 0.047 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.6 | -53.2 | 174.4 | -178.2 | 74.3 | 0 | 0 | 0 | 111.7 | F1309 C1312 L1353 I1376 N1390 A1391 S1396 Q1397 F1398 | F1309-L1394 HydrophobicContact CD1-CB 4.49Å; F1309-L1394 HydrophobicContact CE1-CD2 4.17Å; C1312-L1394 HydrophobicContact CB-CD1 3.76Å; C1312-L1394 WeakPolarHBondContact SG-CD1 3.43Å; L1353-L1394 HydrophobicContact CD2-CD1 3.38Å; L1353-L1394 HydrophobicContact CD2-CG 4.22Å; I1376-L1394 HydrophobicContact CD1-CD2 4.41Å; N1390-L1394 PolarHBondContact O-N 2.92Å; A1391-L1394 PolarHBondContact O-N 2.87Å; L1394-S1396 VanDerWaalsContact C-N 3.3Å; L1394-S1396 PolarHBondContact O-N 2.92Å; L1394-Q1397 PolarHBondContact O-N 3.33Å; L1394-F1398 PolarHBondContact O-N 3.08Å |
| 1395 | L | 85.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.7 | -35.4 | 178.9 | -64.3 | -173.3 | 0 | 0 | 0 | 111.9 | L1357 I1376 F1380 A1391 C1392 Q1397 F1398 L1399 V1434 L1437 L1473 | L1357-L1395 HydrophobicContact CD1-CD2 4.07Å; L1357-L1395 HydrophobicContact CD2-CD2 4.48Å; I1376-L1395 HydrophobicContact CD1-CD2 4.27Å; I1376-L1395 HydrophobicContact CG2-CD1 4.16Å; F1380-L1395 HydrophobicContact CE2-CD1 3.85Å; F1380-L1395 HydrophobicContact CZ-CD1 3.52Å; F1380-L1395 HydrophobicContact CZ-CG 4.42Å; A1391-L1395 PolarHBondContact O-N 3.29Å; C1392-L1395 PolarHBondContact O-N 3Å; L1395-Q1397 VanDerWaalsContact C-N 3.33Å; L1395-Q1397 PolarHBondContact O-N 3.24Å; L1395-F1398 PolarHBondContact O-N 2.96Å; L1395-L1399 WeakPolarHBondContact O-CG 3.47Å; L1395-L1399 PolarHBondContact O-N 2.91Å; L1395-V1434 HydrophobicContact CB-CG1 4.19Å; L1395-V1434 HydrophobicContact CD1-CG1 3.99Å; L1395-V1434 HydrophobicContact CD2-CG2 4.43Å; L1395-L1437 HydrophobicContact CD1-CB 4.5Å; L1395-L1437 HydrophobicContact CD1-CD1 4.4Å; L1395-L1437 HydrophobicContact CD2-CD1 4.14Å; L1395-L1473 HydrophobicContact CB-CD1 3.72Å; L1395-L1473 HydrophobicContact CB-CD2 4.42Å |
| 1396 | S | 82 | Confident | 76.7 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 3% | 0.028 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 177 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | C1392 A1393 L1394 A1400 S1472 N1476 | C1392-S1396 VanDerWaalsContact O-CB 3.3Å; C1392-S1396 WeakPolarHBondContact O-CB 3.41Å; C1392-S1396 PolarHBondContact O-N 3.09Å; A1393-S1396 WeakPolarHBondContact O-CB 3.44Å; A1393-S1396 PolarHBondContact O-N 3.16Å; L1394-S1396 VanDerWaalsContact C-N 3.3Å; L1394-S1396 PolarHBondContact O-N 2.92Å; S1396-A1400 WeakPolarHBondContact O-CB 3.38Å; S1396-A1400 PolarHBondContact O-N 3.49Å; S1396-S1472 PolarHBondContact OG-OG 3.38Å; S1396-N1476 PolarHBondContact O-ND2 3.1Å; S1396-N1476 PolarHBondContact OG-ND2 3.33Å |
| 1397 | Q | 77.3 | Confident | 75.4 | Confident | 58 Ų | 58 | 20.5 Ų | 20.5 | 27% | 0.271 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -70.2 | -39.2 | 176.1 | -76.1 | -177.7 | -16.6 | 0 | 0 | 113.3 | C1312 L1353 A1393 L1394 L1395 L1399 A1400 F1401 | C1312-Q1397 VanDerWaalsContact CB-OE1 3.24Å; C1312-Q1397 PolarHBondContact O-NE2 3.44Å; C1312-Q1397 PolarHBondContact O-OE1 3.22Å; L1353-Q1397 HydrophobicContact CD1-CB 4.4Å; A1393-Q1397 WeakPolarHBondContact O-CG 3.37Å; A1393-Q1397 PolarHBondContact O-N 2.69Å; L1394-Q1397 PolarHBondContact O-N 3.33Å; L1395-Q1397 VanDerWaalsContact C-N 3.33Å; L1395-Q1397 PolarHBondContact O-N 3.24Å; Q1397-L1399 VanDerWaalsContact C-N 3.33Å; Q1397-L1399 PolarHBondContact O-N 3.38Å; Q1397-A1400 PolarHBondContact O-N 3.24Å; Q1397-F1401 WeakPolarHBondContact O-CB 3.31Å; Q1397-F1401 PolarHBondContact O-N 3.2Å |
| 1398 | F | 81 | Confident | 74 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.1 | -49.4 | 172.5 | 166.2 | -104.1 | 0 | 0 | 0 | 111 | L1353 I1354 L1357 F1358 L1394 L1395 F1401 R1402 A1430 V1434 | L1353-F1398 HydrophobicContact CB-CB 4.43Å; L1353-F1398 HydrophobicContact CB-CD2 4.06Å; L1353-F1398 HydrophobicContact CD1-CB 4.36Å; I1354-F1398 HydrophobicContact CG1-CD2 4.46Å; I1354-F1398 HydrophobicContact CG1-CE2 3.89Å; L1357-F1398 HydrophobicContact CD1-CB 3.93Å; L1357-F1398 HydrophobicContact CD1-CD1 3.93Å; L1357-F1398 HydrophobicContact CD1-CD2 3.79Å; L1357-F1398 HydrophobicContact CD1-CE1 4.48Å; L1357-F1398 HydrophobicContact CD1-CE2 4.34Å; L1357-F1398 HydrophobicContact CD1-CG 3.57Å; F1358-F1398 HydrophobicContact CD2-CE1 4.35Å; F1358-F1398 HydrophobicContact CD2-CE2 4.02Å; F1358-F1398 AromaticContact CD2-CZ 3.46Å; F1358-F1398 HydrophobicContact CD2-CZ 3.46Å; F1358-F1398 VanDerWaalsContact CD2-CZ 3.46Å; F1358-F1398 AromaticContact CE2-CE1 3.87Å; F1358-F1398 HydrophobicContact CE2-CE1 3.87Å; F1358-F1398 HydrophobicContact CE2-CE2 4.34Å; F1358-F1398 AromaticContact CE2-CZ 3.36Å; F1358-F1398 HydrophobicContact CE2-CZ 3.36Å; L1394-F1398 PolarHBondContact O-N 3.08Å; L1395-F1398 PolarHBondContact O-N 2.96Å; F1398-F1401 PolarHBondContact O-N 3.47Å; F1398-R1402 HydrophobicContact CE1-CG 4.48Å; F1398-R1402 HydrophobicContact CE2-CG 3.98Å; F1398-R1402 HydrophobicContact CZ-CG 3.91Å; F1398-R1402 PolarHBondContact O-N 3.46Å; F1398-R1402 VanDerWaalsContact O-N 3.09Å; F1398-A1430 HydrophobicContact CE1-CB 4.06Å; F1398-A1430 HydrophobicContact CZ-CB 4.08Å; F1398-V1434 HydrophobicContact CD1-CG2 3.93Å; F1398-V1434 HydrophobicContact CE1-CG2 4.09Å |
| 1399 | L | 76 | Confident | 72.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 177 | -67.1 | 175.5 | 0 | 0 | 0 | 112 | L1395 Q1397 F1401 R1402 I1403 V1434 L1473 N1476 L1477 | L1395-L1399 WeakPolarHBondContact O-CG 3.47Å; L1395-L1399 PolarHBondContact O-N 2.91Å; Q1397-L1399 VanDerWaalsContact C-N 3.33Å; Q1397-L1399 PolarHBondContact O-N 3.38Å; L1399-F1401 VanDerWaalsContact C-N 3.29Å; L1399-F1401 PolarHBondContact O-N 3.45Å; L1399-R1402 PolarHBondContact O-N 2.93Å; L1399-I1403 WeakPolarHBondContact O-CD1 3.24Å; L1399-I1403 VanDerWaalsContact O-CG1 3.24Å; L1399-I1403 WeakPolarHBondContact O-CG1 3.42Å; L1399-I1403 PolarHBondContact O-N 3.24Å; L1399-V1434 HydrophobicContact CD1-CB 4.34Å; L1399-V1434 HydrophobicContact CD1-CG1 4.04Å; L1399-V1434 HydrophobicContact CD1-CG2 4.26Å; L1399-V1434 HydrophobicContact CD2-CB 4.37Å; L1399-V1434 HydrophobicContact CD2-CG2 3.82Å; L1399-V1434 HydrophobicContact CG-CG2 4.04Å; L1399-L1473 HydrophobicContact CD1-CD1 3.93Å; L1399-N1476 HydrophobicContact CB-CB 3.87Å; L1399-N1476 HydrophobicContact CD1-CB 4.26Å; L1399-L1477 HydrophobicContact CD1-CB 4.32Å; L1399-L1477 HydrophobicContact CD1-CD2 3.69Å; L1399-L1477 HydrophobicContact CD1-CG 3.57Å |
| 1400 | A | 68.5 | Low | 70.5 | Confident | 18 Ų | 18 | 31.1 Ų | 31.1 | 15% | 0.149 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.6 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1396 Q1397 I1403 L1404 | S1396-A1400 WeakPolarHBondContact O-CB 3.38Å; S1396-A1400 PolarHBondContact O-N 3.49Å; Q1397-A1400 PolarHBondContact O-N 3.24Å; A1400-I1403 PolarHBondContact O-N 2.89Å; A1400-L1404 WeakPolarHBondContact O-CB 3.38Å; A1400-L1404 PolarHBondContact O-N 3.09Å |
| 1401 | F | 71.3 | Confident | 68.7 | Low | 26 Ų | 26 | 33 Ų | 33 | 11% | 0.114 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | 176.6 | -179.1 | -100.8 | 0 | 0 | 0 | 112.1 | Q1346 G1350 I1354 Q1397 F1398 L1399 I1403 L1404 E1405 | Q1346-F1401 VanDerWaalsContact O-CE2 3.31Å; Q1346-F1401 WeakPolarHBondContact O-CE2 3.3Å; G1350-F1401 VanDerWaalsContact CA-CD1 3.41Å; G1350-F1401 VanDerWaalsContact CA-CG 3.41Å; I1354-F1401 HydrophobicContact CD1-CD1 3.83Å; I1354-F1401 HydrophobicContact CD1-CE1 3.53Å; I1354-F1401 HydrophobicContact CG1-CD1 4.38Å; I1354-F1401 HydrophobicContact CG1-CE1 4.46Å; Q1397-F1401 WeakPolarHBondContact O-CB 3.31Å; Q1397-F1401 PolarHBondContact O-N 3.2Å; F1398-F1401 PolarHBondContact O-N 3.47Å; L1399-F1401 VanDerWaalsContact C-N 3.29Å; L1399-F1401 PolarHBondContact O-N 3.45Å; F1401-I1403 VanDerWaalsContact C-N 3.32Å; F1401-I1403 PolarHBondContact O-N 2.65Å; F1401-L1404 WeakPolarHBondContact O-CB 3.48Å; F1401-L1404 PolarHBondContact O-N 3.26Å; F1401-E1405 PolarHBondContact O-N 3.32Å |
| 1402 | R | 71.3 | Confident | 66.6 | Low | 29 Ų | 29 | 39.2 Ų | 39.2 | 11% | 0.109 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 175.4 | -68.4 | -65.4 | -71.1 | -178.6 | -17 | 111.3 | F1398 L1399 L1404 E1405 L1406 D1426 A1430 | F1398-R1402 HydrophobicContact CE1-CG 4.48Å; F1398-R1402 HydrophobicContact CE2-CG 3.98Å; F1398-R1402 HydrophobicContact CZ-CG 3.91Å; F1398-R1402 PolarHBondContact O-N 3.46Å; F1398-R1402 VanDerWaalsContact O-N 3.09Å; L1399-R1402 PolarHBondContact O-N 2.93Å; R1402-L1404 VanDerWaalsContact C-N 3.33Å; R1402-L1404 PolarHBondContact O-N 3.17Å; R1402-E1405 IonicContact NH1-OE2 3.02Å; R1402-E1405 PolarHBondContact NH1-OE2 3.47Å; R1402-E1405 PolarHBondContact O-N 3.29Å; R1402-L1406 VanDerWaalsContact O-CG 3.27Å; R1402-L1406 WeakPolarHBondContact O-CG 3.2Å; R1402-L1406 PolarHBondContact O-N 3.15Å; R1402-D1426 IonicContact CZ-OD2 3.6Å; R1402-D1426 IonicContact NH1-OD2 2.72Å; R1402-D1426 PolarHBondContact NH2-O 3Å; R1402-D1426 IonicContact NH2-OD1 3.58Å; R1402-D1426 IonicContact NH2-OD2 3.56Å; R1402-D1426 PolarHBondContact NH2-OD2 3.23Å; R1402-A1430 HydrophobicContact CG-CB 4.49Å |
| 1403 | I | 65.3 | Low | 64.3 | Low | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.128 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 174.6 | -65.2 | 160.9 | 0 | 0 | 0 | 111.6 | L1399 A1400 F1401 S1407 N1476 L1479 F1508 | L1399-I1403 WeakPolarHBondContact O-CD1 3.24Å; L1399-I1403 VanDerWaalsContact O-CG1 3.24Å; L1399-I1403 WeakPolarHBondContact O-CG1 3.42Å; L1399-I1403 PolarHBondContact O-N 3.24Å; A1400-I1403 PolarHBondContact O-N 2.89Å; F1401-I1403 VanDerWaalsContact C-N 3.32Å; F1401-I1403 PolarHBondContact O-N 2.65Å; I1403-S1407 PolarHBondContact O-N 3.35Å; I1403-S1407 PolarHBondContact O-OG 2.52Å; I1403-S1407 VanDerWaalsContact O-OG 3.1Å; I1403-N1476 HydrophobicContact CD1-CB 4.32Å; I1403-L1479 HydrophobicContact CD1-CB 3.65Å; I1403-L1479 HydrophobicContact CD1-CD1 4.32Å; I1403-L1479 HydrophobicContact CG1-CB 4.46Å; I1403-F1508 HydrophobicContact CG2-CE1 4.44Å |
| 1404 | L | 61.4 | Low | 62.4 | Low | 30 Ų | 30 | 52.9 Ų | 52.9 | 16% | 0.157 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 177.3 | -89 | 167.3 | 0 | 0 | 0 | 112.7 | A1400 F1401 R1402 L1406 S1407 D1408 F1508 | A1400-L1404 WeakPolarHBondContact O-CB 3.38Å; A1400-L1404 PolarHBondContact O-N 3.09Å; F1401-L1404 WeakPolarHBondContact O-CB 3.48Å; F1401-L1404 PolarHBondContact O-N 3.26Å; R1402-L1404 VanDerWaalsContact C-N 3.33Å; R1402-L1404 PolarHBondContact O-N 3.17Å; L1404-L1406 PolarHBondContact O-N 3.24Å; L1404-S1407 WeakPolarHBondContact O-CA 3.35Å; L1404-S1407 WeakPolarHBondContact O-CB 3.49Å; L1404-S1407 PolarHBondContact O-N 3.42Å; L1404-D1408 PolarHBondContact O-N 3.44Å; L1404-F1508 HydrophobicContact CD1-CD2 4.15Å; L1404-F1508 HydrophobicContact CD1-CE2 4.26Å; L1404-F1508 HydrophobicContact CD1-CG 4.5Å; L1404-F1508 HydrophobicContact CD2-CD2 3.66Å; L1404-F1508 HydrophobicContact CD2-CE2 3.07Å; L1404-F1508 HydrophobicContact CD2-CZ 3.61Å; L1404-F1508 HydrophobicContact CG-CD2 4.04Å; L1404-F1508 HydrophobicContact CG-CE1 4.35Å; L1404-F1508 HydrophobicContact CG-CE2 3.64Å; L1404-F1508 HydrophobicContact CG-CZ 3.78Å |
| 1405 | E | 62.9 | Low | 60.1 | Low | 41 Ų | 41 | 57.9 Ų | 57.9 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59 | -36.8 | 178.8 | -172.7 | 174.4 | -160.1 | 0 | 0 | 111.8 | F1401 R1402 S1407 R1409 | F1401-E1405 PolarHBondContact O-N 3.32Å; R1402-E1405 IonicContact NH1-OE2 3.02Å; R1402-E1405 PolarHBondContact NH1-OE2 3.47Å; R1402-E1405 PolarHBondContact O-N 3.29Å; E1405-S1407 VanDerWaalsContact C-N 3.29Å; E1405-S1407 PolarHBondContact O-N 3.35Å; E1405-R1409 WeakPolarHBondContact O-CG 3.49Å; E1405-R1409 PolarHBondContact O-N 3.23Å; E1405-R1409 VanDerWaalsContact O-N 3.1Å; E1405-R1409 IonicContact OE1-CZ 2.73Å; E1405-R1409 IonicContact OE1-NE 3Å; E1405-R1409 PolarHBondContact OE1-NE 3.09Å; E1405-R1409 IonicContact OE1-NH2 3.33Å; E1405-R1409 PolarHBondContact OE1-NH2 2.91Å |
| 1406 | L | 58 | Low | 57.8 | Low | 46 Ų | 46 | 63.5 Ų | 63.5 | 24% | 0.241 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.6 | -31.8 | 173.6 | -63.9 | 173.3 | 0 | 0 | 0 | 113.2 | R1402 L1404 K1410 E1427 | R1402-L1406 VanDerWaalsContact O-CG 3.27Å; R1402-L1406 WeakPolarHBondContact O-CG 3.2Å; R1402-L1406 PolarHBondContact O-N 3.15Å; L1404-L1406 PolarHBondContact O-N 3.24Å; L1406-K1410 WeakPolarHBondContact O-CG 3.42Å; L1406-E1427 VanDerWaalsContact CD1-CD 3.49Å; L1406-E1427 HydrophobicContact CD1-CG 3.87Å; L1406-E1427 HydrophobicContact CD2-CG 3.94Å; L1406-E1427 WeakPolarHBondContact CD2-OE1 3.27Å; L1406-E1427 HydrophobicContact CG-CG 4.44Å |
| 1407 | S | 52 | Low | 55.7 | Low | 45 Ų | 45 | 72 Ų | 72 | 32% | 0.315 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -75.9 | -41.8 | 179.8 | -57 | 0 | 0 | 0 | 0 | 111.1 | I1403 L1404 E1405 | I1403-S1407 PolarHBondContact O-N 3.35Å; I1403-S1407 PolarHBondContact O-OG 2.52Å; I1403-S1407 VanDerWaalsContact O-OG 3.1Å; L1404-S1407 WeakPolarHBondContact O-CA 3.35Å; L1404-S1407 WeakPolarHBondContact O-CB 3.49Å; L1404-S1407 PolarHBondContact O-N 3.42Å; E1405-S1407 VanDerWaalsContact C-N 3.29Å; E1405-S1407 PolarHBondContact O-N 3.35Å |
| 1408 | D | 53.4 | Low | 53.8 | Low | 34 Ų | 34 | 77.3 Ų | 77.3 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.1 | -44.9 | 177.9 | -108.4 | 11.6 | 0 | 0 | 0 | 111.4 | K1347 L1404 K1410 S1411 | K1347-D1408 WeakPolarHBondContact CE-OD2 3.4Å; K1347-D1408 IonicContact NZ-OD2 3.08Å; K1347-D1408 PolarHBondContact NZ-OD2 3.25Å; L1404-D1408 PolarHBondContact O-N 3.44Å; D1408-K1410 PolarHBondContact O-N 3.39Å; D1408-S1411 WeakPolarHBondContact O-CB 3.29Å; D1408-S1411 PolarHBondContact O-N 2.7Å; D1408-S1411 PolarHBondContact O-OG 2.97Å |
| 1409 | R | 49.9 | Very low | 51.9 | Low | 150 Ų | 150 | 82.8 Ų | 82.8 | 57% | 0.566 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.8 | -18.9 | -177.6 | -70.1 | -176.1 | -174.2 | -148.2 | 5.9 | 114.2 | E1405 S1411 | E1405-R1409 WeakPolarHBondContact O-CG 3.49Å; E1405-R1409 PolarHBondContact O-N 3.23Å; E1405-R1409 VanDerWaalsContact O-N 3.1Å; E1405-R1409 IonicContact OE1-CZ 2.73Å; E1405-R1409 IonicContact OE1-NE 3Å; E1405-R1409 PolarHBondContact OE1-NE 3.09Å; E1405-R1409 IonicContact OE1-NH2 3.33Å; E1405-R1409 PolarHBondContact OE1-NH2 2.91Å; R1409-S1411 VanDerWaalsContact C-N 3.26Å; R1409-S1411 PolarHBondContact O-N 3.47Å |
| 1410 | K | 47 | Very low | 50.3 | Low | 114 Ų | 114 | 87.9 Ų | 87.9 | 50% | 0.496 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -16.4 | 171.9 | -75.4 | 176.5 | -178.6 | 175.9 | 0 | 112.9 | L1406 D1408 N1413 L1516 | L1406-K1410 WeakPolarHBondContact O-CG 3.42Å; D1408-K1410 PolarHBondContact O-N 3.39Å; K1410-N1413 PolarHBondContact O-ND2 3.45Å; K1410-N1413 VanDerWaalsContact O-ND2 3.15Å; K1410-L1516 HydrophobicContact CD-CD2 4.44Å |
| 1411 | S | 44.7 | Very low | 48.7 | Very low | 57 Ų | 57 | 94.9 Ų | 94.9 | 40% | 0.399 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -26.6 | 177.8 | 72.1 | 0 | 0 | 0 | 0 | 113.8 | D1408 R1409 N1413 | D1408-S1411 WeakPolarHBondContact O-CB 3.29Å; D1408-S1411 PolarHBondContact O-N 2.7Å; D1408-S1411 PolarHBondContact O-OG 2.97Å; R1409-S1411 VanDerWaalsContact C-N 3.26Å; R1409-S1411 PolarHBondContact O-N 3.47Å; S1411-N1413 PolarHBondContact O-N 3.35Å |
| 1412 | D | 42.1 | Very low | 47.4 | Very low | 132 Ų | 132 | 99.7 Ų | 99.7 | 71% | 0.706 | 50% | 0.5 | S | S | * | . | trans | -93.6 | 43 | -177.6 | -73.5 | -26.3 | 0 | 0 | 0 | 113.8 | H1414 | D1412-H1414 VanDerWaalsContact C-N 3.28Å; D1412-H1414 PolarHBondContact O-N 2.94Å | ||
| 1413 | N | 38.6 | Very low | 46.2 | Very low | 117 Ų | 117 | 101 Ų | 101 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | trans | -73.8 | 74.1 | -178.5 | -92.6 | -43.1 | 0 | 0 | 0 | 113.2 | K1410 S1411 | K1410-N1413 PolarHBondContact O-ND2 3.45Å; K1410-N1413 VanDerWaalsContact O-ND2 3.15Å; S1411-N1413 PolarHBondContact O-N 3.35Å | ||
| 1414 | H | 39.1 | Very low | 45.3 | Very low | 175 Ų | 175 | 102.8 Ų | 102.8 | 81% | 0.81 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -125.7 | 101.5 | 153.3 | -87.3 | -65.4 | 0 | 0 | 0 | 109.9 | D1412 | D1412-H1414 VanDerWaalsContact C-N 3.28Å; D1412-H1414 PolarHBondContact O-N 2.94Å |
| 1415 | S | 34.8 | Very low | 44.8 | Very low | 115 Ų | 115 | 107.9 Ų | 107.9 | 80% | 0.804 | 54% | 0.543 | S | S | * | . | trans | 82.3 | 22.1 | 150.2 | 79.2 | 0 | 0 | 0 | 0 | 123.1 | K1417 | S1415-K1417 PolarHBondContact O-N 3.39Š| ||
| 1416 | I | 37.5 | Very low | 44.6 | Very low | 118 Ų | 118 | 107.7 Ų | 107.7 | 61% | 0.605 | 54% | 0.544 | S | S | * | . | trans | -85.4 | 105.2 | 176.7 | -55.3 | 178.9 | 0 | 0 | 0 | 111.6 | ||||
| 1417 | K | 37.8 | Very low | 44.5 | Very low | 182 Ų | 182 | 108 Ų | 108 | 79% | 0.791 | 54% | 0.544 | S | S | * | . | trans | -77.8 | 143.9 | 175.7 | -76.1 | 174.3 | 173.6 | 174.3 | 0 | 111.8 | S1415 D1419 | S1415-K1417 PolarHBondContact O-N 3.39Å; K1417-D1419 PolarHBondContact O-N 3.42Å | ||
| 1418 | L | 37.1 | Very low | 44.9 | Very low | 170 Ų | 170 | 110.1 Ų | 110.1 | 89% | 0.89 | 55% | 0.545 | S | S | * | . | S | Bend | trans | 50.1 | -24.6 | 159.8 | -127.5 | 78.2 | 0 | 0 | 0 | 121 | Q1420 | L1418-Q1420 PolarHBondContact O-N 3.17Š|
| 1419 | D | 41.6 | Very low | 45.5 | Very low | 114 Ų | 114 | 111 Ų | 111 | 61% | 0.61 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -8.7 | 179.1 | -72 | -27.1 | 0 | 0 | 0 | 113.5 | K1417 M1421 K1422 | K1417-D1419 PolarHBondContact O-N 3.42Å; D1419-M1421 VanDerWaalsContact C-N 3.27Å; D1419-M1421 PolarHBondContact O-N 3.3Å; D1419-K1422 PolarHBondContact O-N 2.88Å |
| 1420 | Q | 42.5 | Very low | 46.5 | Very low | 107 Ų | 107 | 103.9 Ų | 103.9 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.4 | -15.5 | -176.7 | -67.5 | -176.2 | -16.7 | 0 | 0 | 114.7 | L1418 I1423 | L1418-Q1420 PolarHBondContact O-N 3.17Å; Q1420-I1423 HydrophobicContact CG-CD1 4.21Å; Q1420-I1423 PolarHBondContact O-N 3Å |
| 1421 | M | 34.9 | Very low | 47.6 | Very low | 165 Ų | 165 | 98.5 Ų | 98.5 | 81% | 0.813 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.7 | -34.9 | 171.5 | -92.9 | -178.8 | 173.4 | 0 | 0 | 112.8 | D1419 I1423 | D1419-M1421 VanDerWaalsContact C-N 3.27Å; D1419-M1421 PolarHBondContact O-N 3.3Å; M1421-I1423 PolarHBondContact O-N 3.12Å |
| 1422 | K | 43.2 | Very low | 48.9 | Very low | 128 Ų | 128 | 97.3 Ų | 97.3 | 56% | 0.557 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.3 | -29.6 | 173.6 | -85.6 | -171.4 | 169.6 | -165.7 | 0 | 111.6 | D1419 E1425 D1426 | D1419-K1422 PolarHBondContact O-N 2.88Å; K1422-E1425 PolarHBondContact O-N 3.07Å; K1422-D1426 VanDerWaalsContact O-CB 3.32Å; K1422-D1426 WeakPolarHBondContact O-CB 3.26Å; K1422-D1426 PolarHBondContact O-N 3.4Å |
| 1423 | I | 46.1 | Very low | 50.5 | Low | 55 Ų | 55 | 92.1 Ų | 92.1 | 28% | 0.282 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.5 | -39 | -175.2 | -56.6 | 178.6 | 0 | 0 | 0 | 112 | Q1420 M1421 E1425 D1426 E1427 | Q1420-I1423 HydrophobicContact CG-CD1 4.21Å; Q1420-I1423 PolarHBondContact O-N 3Å; M1421-I1423 PolarHBondContact O-N 3.12Å; I1423-E1425 VanDerWaalsContact C-N 3.33Å; I1423-D1426 WeakPolarHBondContact O-CB 3.21Å; I1423-D1426 PolarHBondContact O-N 3.5Å; I1423-D1426 VanDerWaalsContact O-N 3.14Å; I1423-E1427 WeakPolarHBondContact O-CG 3.47Å; I1423-E1427 PolarHBondContact O-N 3.23Å; I1423-E1427 VanDerWaalsContact O-N 3.08Å |
| 1424 | V | 46.5 | Very low | 52.4 | Low | 64 Ų | 64 | 86.6 Ų | 86.6 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.7 | -33.7 | 176.2 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | D1426 R1428 | V1424-D1426 VanDerWaalsContact C-N 3.3Å; V1424-R1428 PolarHBondContact O-N 3.14Å |
| 1425 | E | 52.1 | Low | 54.3 | Low | 137 Ų | 137 | 78.4 Ų | 78.4 | 64% | 0.64 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.2 | -41.2 | 169.8 | -71.4 | -176.4 | 156.9 | 0 | 0 | 110.6 | K1422 I1423 E1427 R1428 T1429 | K1422-E1425 PolarHBondContact O-N 3.07Å; I1423-E1425 VanDerWaalsContact C-N 3.33Å; E1425-E1427 VanDerWaalsContact C-N 3.32Å; E1425-E1427 PolarHBondContact O-N 3.41Å; E1425-R1428 PolarHBondContact O-N 3.1Å; E1425-T1429 WeakPolarHBondContact O-CG2 3.39Å; E1425-T1429 PolarHBondContact O-N 3.36Å; E1425-T1429 PolarHBondContact O-OG1 3.1Å |
| 1426 | D | 57.3 | Low | 56.2 | Low | 37 Ų | 37 | 75.9 Ų | 75.9 | 20% | 0.198 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.8 | -22 | -178.3 | -157.5 | 26 | 0 | 0 | 0 | 114.7 | L1362 R1402 K1422 I1423 V1424 T1429 A1430 | L1362-D1426 HydrophobicContact CD1-CB 4.49Å; L1362-D1426 WeakPolarHBondContact CD2-OD1 2.95Å; R1402-D1426 IonicContact CZ-OD2 3.6Å; R1402-D1426 IonicContact NH1-OD2 2.72Å; R1402-D1426 PolarHBondContact NH2-O 3Å; R1402-D1426 IonicContact NH2-OD1 3.58Å; R1402-D1426 IonicContact NH2-OD2 3.56Å; R1402-D1426 PolarHBondContact NH2-OD2 3.23Å; K1422-D1426 VanDerWaalsContact O-CB 3.32Å; K1422-D1426 WeakPolarHBondContact O-CB 3.26Å; K1422-D1426 PolarHBondContact O-N 3.4Å; I1423-D1426 WeakPolarHBondContact O-CB 3.21Å; I1423-D1426 PolarHBondContact O-N 3.5Å; I1423-D1426 VanDerWaalsContact O-N 3.14Å; V1424-D1426 VanDerWaalsContact C-N 3.3Å; D1426-T1429 WeakPolarHBondContact CA-OG1 3.32Å; D1426-T1429 PolarHBondContact O-OG1 2.95Å; D1426-A1430 PolarHBondContact O-N 3.39Å |
| 1427 | E | 55.7 | Low | 58.3 | Low | 51 Ų | 51 | 70.4 Ų | 70.4 | 24% | 0.238 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -82.8 | -46.3 | 173.6 | -70.1 | 171.9 | -148.3 | 0 | 0 | 111.9 | L1406 I1423 E1425 T1429 A1430 G1431 | L1406-E1427 VanDerWaalsContact CD1-CD 3.49Å; L1406-E1427 HydrophobicContact CD1-CG 3.87Å; L1406-E1427 HydrophobicContact CD2-CG 3.94Å; L1406-E1427 WeakPolarHBondContact CD2-OE1 3.27Å; L1406-E1427 HydrophobicContact CG-CG 4.44Å; I1423-E1427 WeakPolarHBondContact O-CG 3.47Å; I1423-E1427 PolarHBondContact O-N 3.23Å; I1423-E1427 VanDerWaalsContact O-N 3.08Å; E1425-E1427 VanDerWaalsContact C-N 3.32Å; E1425-E1427 PolarHBondContact O-N 3.41Å; E1427-T1429 PolarHBondContact O-N 3.3Å; E1427-A1430 PolarHBondContact O-N 3.3Å; E1427-A1430 VanDerWaalsContact O-N 3.15Å; E1427-G1431 PolarHBondContact O-N 3.38Å |
| 1428 | R | 60.3 | Low | 60.3 | Low | 91 Ų | 91 | 61.7 Ų | 61.7 | 34% | 0.343 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 175.5 | -75.4 | -175.9 | -177 | -160.7 | -2.7 | 110 | V1424 E1425 N1432 D1541 | V1424-R1428 PolarHBondContact O-N 3.14Å; E1425-R1428 PolarHBondContact O-N 3.1Å; R1428-N1432 WeakPolarHBondContact O-CB 3.41Å; R1428-N1432 PolarHBondContact O-N 2.86Å; R1428-N1432 PolarHBondContact O-ND2 3.49Å; R1428-D1541 IonicContact NH1-OD1 4Å |
| 1429 | T | 66.9 | Low | 62 | Low | 51 Ų | 51 | 55.1 Ų | 55.1 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 173.4 | 42.8 | 0 | 0 | 0 | 0 | 111.8 | F1358 E1425 D1426 E1427 G1431 N1432 L1433 | F1358-T1429 VanDerWaalsContact CZ-C 3.49Å; F1358-T1429 WeakPolarHBondContact CZ-O 3.31Å; E1425-T1429 WeakPolarHBondContact O-CG2 3.39Å; E1425-T1429 PolarHBondContact O-N 3.36Å; E1425-T1429 PolarHBondContact O-OG1 3.1Å; D1426-T1429 WeakPolarHBondContact CA-OG1 3.32Å; D1426-T1429 PolarHBondContact O-OG1 2.95Å; E1427-T1429 PolarHBondContact O-N 3.3Å; T1429-G1431 PolarHBondContact O-N 2.92Å; T1429-N1432 PolarHBondContact O-N 2.85Å; T1429-L1433 VanDerWaalsContact O-CB 3.28Å; T1429-L1433 WeakPolarHBondContact O-CB 3.39Å; T1429-L1433 PolarHBondContact O-N 2.98Å |
| 1430 | A | 70.3 | Confident | 62.9 | Low | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57 | -50.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1358 F1398 R1402 D1426 E1427 L1433 V1434 | F1358-A1430 HydrophobicContact CE2-CB 4.03Å; F1358-A1430 HydrophobicContact CZ-CB 4.17Å; F1398-A1430 HydrophobicContact CE1-CB 4.06Å; F1398-A1430 HydrophobicContact CZ-CB 4.08Å; R1402-A1430 HydrophobicContact CG-CB 4.49Å; D1426-A1430 PolarHBondContact O-N 3.39Å; E1427-A1430 PolarHBondContact O-N 3.3Å; E1427-A1430 VanDerWaalsContact O-N 3.15Å; A1430-L1433 PolarHBondContact O-N 3.24Å; A1430-V1434 PolarHBondContact O-N 2.96Å |
| 1431 | G | 71.8 | Confident | 63.5 | Low | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1427 T1429 L1433 V1434 W1435 | E1427-G1431 PolarHBondContact O-N 3.38Å; T1429-G1431 PolarHBondContact O-N 2.92Å; G1431-L1433 VanDerWaalsContact C-N 3.26Å; G1431-L1433 PolarHBondContact O-N 3.28Å; G1431-V1434 PolarHBondContact O-N 3.48Å; G1431-W1435 VanDerWaalsContact O-CB 3.26Å; G1431-W1435 WeakPolarHBondContact O-CB 3.28Å; G1431-W1435 PolarHBondContact O-N 3.36Å |
| 1432 | N | 70.1 | Confident | 64 | Low | 31 Ų | 31 | 48.9 Ų | 48.9 | 17% | 0.166 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -36.7 | -179.2 | -73.3 | -41.9 | 0 | 0 | 0 | 110.9 | R1428 T1429 S1436 S1538 I1539 L1540 | R1428-N1432 WeakPolarHBondContact O-CB 3.41Å; R1428-N1432 PolarHBondContact O-N 2.86Å; R1428-N1432 PolarHBondContact O-ND2 3.49Å; T1429-N1432 PolarHBondContact O-N 2.85Å; N1432-S1436 VanDerWaalsContact O-CB 3.31Å; N1432-S1436 WeakPolarHBondContact O-CB 3.49Å; N1432-S1436 PolarHBondContact O-N 3.31Å; N1432-S1538 PolarHBondContact ND2-OG 3.5Å; N1432-S1538 PolarHBondContact OD1-OG 3.42Å; N1432-I1539 PolarHBondContact OD1-N 3.35Å; N1432-L1540 HydrophobicContact CB-CD1 4.41Å; N1432-L1540 VanDerWaalsContact N-CD1 3.28Å; N1432-L1540 WeakPolarHBondContact OD1-CD1 3.24Å; N1432-L1540 WeakPolarHBondContact OD1-CG 3.44Å; N1432-L1540 PolarHBondContact OD1-N 3.12Å |
| 1433 | L | 75.8 | Confident | 63.7 | Low | 24 Ų | 24 | 47 Ų | 47 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -54.7 | 178.2 | 175.4 | 66.9 | 0 | 0 | 0 | 111 | L1357 F1358 H1373 T1429 A1430 G1431 W1435 S1436 L1437 | L1357-L1433 HydrophobicContact CB-CD2 4.14Å; L1357-L1433 WeakPolarHBondContact O-CD2 3.45Å; F1358-L1433 HydrophobicContact CD2-CD2 3.81Å; F1358-L1433 HydrophobicContact CE1-CB 4.48Å; F1358-L1433 HydrophobicContact CE1-CD2 4.19Å; F1358-L1433 HydrophobicContact CE2-CB 4.09Å; F1358-L1433 HydrophobicContact CE2-CD2 3.25Å; F1358-L1433 HydrophobicContact CE2-CG 4.28Å; F1358-L1433 HydrophobicContact CG-CD2 4.47Å; F1358-L1433 HydrophobicContact CZ-CB 3.6Å; F1358-L1433 HydrophobicContact CZ-CD2 3.45Å; F1358-L1433 VanDerWaalsContact CZ-CD2 3.45Å; F1358-L1433 HydrophobicContact CZ-CG 4.13Å; H1373-L1433 WeakPolarHBondContact CE1-CD1 3.38Å; T1429-L1433 VanDerWaalsContact O-CB 3.28Å; T1429-L1433 WeakPolarHBondContact O-CB 3.39Å; T1429-L1433 PolarHBondContact O-N 2.98Å; A1430-L1433 PolarHBondContact O-N 3.24Å; G1431-L1433 VanDerWaalsContact C-N 3.26Å; G1431-L1433 PolarHBondContact O-N 3.28Å; L1433-W1435 PolarHBondContact O-N 3.04Å; L1433-S1436 CarbonylContact O-C 3.52Å; L1433-S1436 WeakPolarHBondContact O-CA 3.45Å; L1433-S1436 WeakPolarHBondContact O-CB 3.43Å; L1433-S1436 PolarHBondContact O-N 3.47Å; L1433-L1437 HydrophobicContact CD1-CG 4.45Å; L1433-L1437 HydrophobicContact CG-CD1 4.3Å; L1433-L1437 WeakPolarHBondContact O-CG 3.46Å; L1433-L1437 PolarHBondContact O-N 2.95Å |
| 1434 | V | 79.8 | Confident | 63.6 | Low | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 179.5 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | L1395 F1398 L1399 A1430 G1431 S1436 L1437 L1438 L1473 L1477 | L1395-V1434 HydrophobicContact CB-CG1 4.19Å; L1395-V1434 HydrophobicContact CD1-CG1 3.99Å; L1395-V1434 HydrophobicContact CD2-CG2 4.43Å; F1398-V1434 HydrophobicContact CD1-CG2 3.93Å; F1398-V1434 HydrophobicContact CE1-CG2 4.09Å; L1399-V1434 HydrophobicContact CD1-CB 4.34Å; L1399-V1434 HydrophobicContact CD1-CG1 4.04Å; L1399-V1434 HydrophobicContact CD1-CG2 4.26Å; L1399-V1434 HydrophobicContact CD2-CB 4.37Å; L1399-V1434 HydrophobicContact CD2-CG2 3.82Å; L1399-V1434 HydrophobicContact CG-CG2 4.04Å; A1430-V1434 PolarHBondContact O-N 2.96Å; G1431-V1434 PolarHBondContact O-N 3.48Å; V1434-S1436 PolarHBondContact O-N 2.88Å; V1434-L1437 PolarHBondContact O-N 2.69Å; V1434-L1438 HydrophobicContact CG1-CD1 4.08Å; V1434-L1438 WeakPolarHBondContact O-CG 3.42Å; V1434-L1438 PolarHBondContact O-N 2.94Å; V1434-L1438 VanDerWaalsContact O-N 3.1Å; V1434-L1473 HydrophobicContact CG1-CD1 4.03Å; V1434-L1477 HydrophobicContact CB-CD2 3.94Å; V1434-L1477 HydrophobicContact CG1-CD1 4.26Å; V1434-L1477 HydrophobicContact CG1-CD2 3.76Å; V1434-L1477 HydrophobicContact CG1-CG 4.21Å |
| 1435 | W | 78.1 | Confident | 63.3 | Low | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 172.9 | -163.9 | -86.5 | 0 | 0 | 0 | 112.7 | G1431 L1433 L1438 T1439 P1452 L1477 I1539 L1540 Y1548 F1549 | G1431-W1435 VanDerWaalsContact O-CB 3.26Å; G1431-W1435 WeakPolarHBondContact O-CB 3.28Å; G1431-W1435 PolarHBondContact O-N 3.36Å; L1433-W1435 PolarHBondContact O-N 3.04Å; W1435-L1438 PolarHBondContact O-N 3.04Å; W1435-T1439 PolarHBondContact O-N 2.92Å; W1435-T1439 PolarHBondContact O-OG1 3.4Å; W1435-P1452 HydrophobicContact CD2-CG 3.84Å; W1435-P1452 VanDerWaalsContact CE2-CG 3.42Å; W1435-P1452 HydrophobicContact CE3-CG 4.07Å; W1435-P1452 HydrophobicContact CH2-CG 3.51Å; W1435-P1452 HydrophobicContact CZ2-CG 3.25Å; W1435-P1452 HydrophobicContact CZ3-CG 3.92Å; W1435-L1477 HydrophobicContact CE3-CD1 4.41Å; W1435-L1477 HydrophobicContact CE3-CD2 4.47Å; W1435-I1539 VanDerWaalsContact CD1-CG2 3.45Å; W1435-I1539 HydrophobicContact CG-CG2 4.16Å; W1435-L1540 HydrophobicContact CD2-CD2 4.15Å; W1435-L1540 HydrophobicContact CE3-CD2 4.17Å; W1435-L1540 HydrophobicContact CG-CD2 4.37Å; W1435-Y1548 AromaticContact CE2-CD1 3.83Å; W1435-Y1548 HydrophobicContact CH2-CD1 4.21Å; W1435-Y1548 HydrophobicContact CH2-CG 4.06Å; W1435-Y1548 AromaticContact CZ2-CD1 3.25Å; W1435-Y1548 HydrophobicContact CZ2-CD1 3.25Å; W1435-Y1548 HydrophobicContact CZ2-CD2 4.41Å; W1435-Y1548 AromaticContact CZ2-CE1 3.96Å; W1435-Y1548 HydrophobicContact CZ2-CE1 3.96Å; W1435-Y1548 AromaticContact CZ2-CG 3.5Å; W1435-Y1548 HydrophobicContact CZ2-CG 3.5Å; W1435-Y1548 AromaticContact NE1-CD1 4Å; W1435-Y1548 AromaticContact NE1-CE1 3.77Å; W1435-F1549 HydrophobicContact CH2-CE2 4.07Å; W1435-F1549 HydrophobicContact CH2-CZ 4.01Å; W1435-F1549 HydrophobicContact CZ3-CE1 4.28Å; W1435-F1549 HydrophobicContact CZ3-CE2 4.05Å; W1435-F1549 AromaticContact CZ3-CZ 3.61Å; W1435-F1549 HydrophobicContact CZ3-CZ 3.61Å |
| 1436 | S | 75.5 | Confident | 62.7 | Low | 61 Ų | 61 | 53.9 Ų | 53.9 | 43% | 0.427 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 175.4 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | N1432 L1433 V1434 L1438 T1439 | N1432-S1436 VanDerWaalsContact O-CB 3.31Å; N1432-S1436 WeakPolarHBondContact O-CB 3.49Å; N1432-S1436 PolarHBondContact O-N 3.31Å; L1433-S1436 CarbonylContact O-C 3.52Å; L1433-S1436 WeakPolarHBondContact O-CA 3.45Å; L1433-S1436 WeakPolarHBondContact O-CB 3.43Å; L1433-S1436 PolarHBondContact O-N 3.47Å; V1434-S1436 PolarHBondContact O-N 2.88Å; S1436-L1438 VanDerWaalsContact C-N 3.31Å; S1436-L1438 PolarHBondContact O-N 3.05Å; S1436-T1439 PolarHBondContact O-N 2.81Å |
| 1437 | L | 80.1 | Confident | 61.8 | Low | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.1 | -31.7 | 177.1 | -69.2 | 175 | 0 | 0 | 0 | 113 | H1373 I1376 Q1377 L1395 L1433 V1434 T1439 | H1373-L1437 HydrophobicContact CB-CD2 3.56Å; I1376-L1437 HydrophobicContact CG2-CD1 4.4Å; Q1377-L1437 HydrophobicContact CG-CD2 4.27Å; L1395-L1437 HydrophobicContact CD1-CB 4.5Å; L1395-L1437 HydrophobicContact CD1-CD1 4.4Å; L1395-L1437 HydrophobicContact CD2-CD1 4.14Å; L1433-L1437 HydrophobicContact CD1-CG 4.45Å; L1433-L1437 HydrophobicContact CG-CD1 4.3Å; L1433-L1437 WeakPolarHBondContact O-CG 3.46Å; L1433-L1437 PolarHBondContact O-N 2.95Å; V1434-L1437 PolarHBondContact O-N 2.69Å; L1437-T1439 VanDerWaalsContact C-N 3.33Å |
| 1438 | L | 80.6 | Confident | 61.3 | Low | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -81.2 | -12 | 178.3 | -68.4 | 167.8 | 0 | 0 | 0 | 113.6 | F1380 V1434 W1435 S1436 P1452 N1454 L1455 F1458 L1473 L1477 | F1380-L1438 HydrophobicContact CD2-CD2 4.4Å; F1380-L1438 HydrophobicContact CE1-CD2 4.5Å; F1380-L1438 HydrophobicContact CE2-CD2 3.81Å; F1380-L1438 HydrophobicContact CZ-CD2 3.88Å; V1434-L1438 HydrophobicContact CG1-CD1 4.08Å; V1434-L1438 WeakPolarHBondContact O-CG 3.42Å; V1434-L1438 PolarHBondContact O-N 2.94Å; V1434-L1438 VanDerWaalsContact O-N 3.1Å; W1435-L1438 PolarHBondContact O-N 3.04Å; S1436-L1438 VanDerWaalsContact C-N 3.31Å; S1436-L1438 PolarHBondContact O-N 3.05Å; L1438-P1452 HydrophobicContact CB-CB 3.59Å; L1438-N1454 WeakPolarHBondContact O-CB 3.37Å; L1438-N1454 PolarHBondContact O-ND2 3.03Å; L1438-L1455 HydrophobicContact CD1-CB 4.34Å; L1438-L1455 HydrophobicContact CD1-CD2 4.36Å; L1438-F1458 HydrophobicContact CD2-CE2 4.17Å; L1438-L1473 HydrophobicContact CD1-CD2 3.97Å; L1438-L1473 HydrophobicContact CD1-CG 4.48Å; L1438-L1473 HydrophobicContact CD2-CD2 3.96Å; L1438-L1473 HydrophobicContact CG-CD2 4.49Å; L1438-L1477 HydrophobicContact CD1-CD1 3.64Å |
| 1439 | T | 72.6 | Confident | 60.9 | Low | 32 Ų | 32 | 63.7 Ų | 63.7 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -97 | 120.3 | -178.7 | -51.2 | 0 | 0 | 0 | 0 | 109.6 | W1435 S1436 L1437 V1441 | W1435-T1439 PolarHBondContact O-N 2.92Å; W1435-T1439 PolarHBondContact O-OG1 3.4Å; S1436-T1439 PolarHBondContact O-N 2.81Å; L1437-T1439 VanDerWaalsContact C-N 3.33Å; T1439-V1441 PolarHBondContact O-N 3.39Å |
| 1440 | P | 60 | Low | 60.4 | Low | 37 Ų | 37 | 65.5 Ų | 65.5 | 24% | 0.24 | 35% | 0.348 | C | S | . | . | trans | -61.6 | 126.1 | 177.3 | 22.2 | -29.5 | 0 | 0 | 0 | 110.4 | I1442 Q1453 | P1440-I1442 PolarHBondContact O-N 3.46Å; P1440-Q1453 HydrophobicContact CG-CB 4.31Å | ||
| 1441 | V | 55.4 | Low | 60 | Low | 108 Ų | 108 | 67.1 Ų | 67.1 | 66% | 0.655 | 36% | 0.357 | S | S | * | . | trans | -61.8 | 99.6 | 177.9 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | T1439 | T1439-V1441 PolarHBondContact O-N 3.39Š| ||
| 1442 | I | 46.3 | Very low | 59.9 | Low | 110 Ų | 110 | 67 Ų | 67 | 56% | 0.564 | 36% | 0.357 | S | S | * | . | trans | -115.5 | 104.8 | 171.5 | -60.1 | 174.5 | 0 | 0 | 0 | 107.3 | P1440 | P1440-I1442 PolarHBondContact O-N 3.46Š| ||
| 1443 | N | 37.2 | Very low | 60.2 | Low | 87 Ų | 87 | 68.7 Ų | 68.7 | 47% | 0.465 | 36% | 0.363 | S | S | . | . | trans | 53.2 | 106.3 | 164.4 | -147.2 | -10.1 | 0 | 0 | 0 | 116.9 | F1445 L1446 | N1443-F1445 PolarHBondContact O-N 2.9Å; N1443-L1446 PolarHBondContact O-N 3.19Å | ||
| 1444 | P | 42.9 | Very low | 60.5 | Low | 108 Ų | 108 | 68.6 Ų | 68.6 | 70% | 0.701 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -4 | 179.1 | 25.7 | -33 | 0 | 0 | 0 | 114.6 | ||
| 1445 | F | 41 | Very low | 60.8 | Low | 180 Ų | 180 | 68.6 Ų | 68.6 | 79% | 0.789 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 0.2 | 176.6 | -70.8 | -81.2 | 0 | 0 | 0 | 115 | N1443 | N1443-F1445 PolarHBondContact O-N 2.9Š|
| 1446 | L | 38.4 | Very low | 61.2 | Low | 114 Ų | 114 | 68.5 Ų | 68.5 | 60% | 0.597 | 36% | 0.363 | S | S | * | . | trans | -122.6 | 95.2 | 177 | -80.1 | 158.6 | 0 | 0 | 0 | 110.6 | N1443 S1448 | N1443-L1446 PolarHBondContact O-N 3.19Å; L1446-S1448 PolarHBondContact O-N 3.03Å | ||
| 1447 | Y | 38.4 | Very low | 61.6 | Low | 233 Ų | 233 | 70.1 Ų | 70.1 | 91% | 0.914 | 36% | 0.363 | S | S | * | . | trans | -70.2 | 53.6 | 171.9 | -74.2 | -84.6 | 0 | 0 | 0 | 112.5 | ||||
| 1448 | S | 46.8 | Very low | 62 | Low | 73 Ų | 73 | 70.1 Ų | 70.1 | 51% | 0.51 | 36% | 0.363 | S | S | . | . | trans | -92.9 | 109.9 | 167.9 | 67 | 0 | 0 | 0 | 0 | 109.5 | L1446 Q1450 | L1446-S1448 PolarHBondContact O-N 3.03Å; S1448-Q1450 PolarHBondContact O-N 2.97Å | ||
| 1449 | V | 50.4 | Low | 62.4 | Low | 79 Ų | 79 | 70.1 Ų | 70.1 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | trans | -61.5 | 113.9 | 173.6 | 178.9 | 0 | 0 | 0 | 0 | 109 | Y1548 | V1449-Y1548 HydrophobicContact CG1-CD1 4.33Å; V1449-Y1548 HydrophobicContact CG1-CE1 3.26Å; V1449-Y1548 VanDerWaalsContact CG1-CZ 3.45Å; V1449-Y1548 WeakPolarHBondContact CG1-OH 3.45Å | ||
| 1450 | Q | 57.7 | Low | 63.2 | Low | 89 Ų | 89 | 73.1 Ų | 73.1 | 42% | 0.416 | 38% | 0.375 | S | S | . | . | trans | -116.5 | 144.3 | 179.1 | -69.3 | -175.4 | -3.4 | 0 | 0 | 110.8 | S1448 | S1448-Q1450 PolarHBondContact O-N 2.97Š| ||
| 1451 | T | 61.7 | Low | 64.5 | Low | 35 Ų | 35 | 73.3 Ų | 73.3 | 22% | 0.215 | 37% | 0.374 | C | S | . | . | trans | -61.5 | 143.3 | 170.8 | -23.2 | 0 | 0 | 0 | 0 | 109 | Q1453 I1456 Y1548 P1552 | T1451-Q1453 PolarHBondContact O-N 3.49Å; T1451-I1456 HydrophobicContact CG2-CD1 3.67Å; T1451-Y1548 VanDerWaalsContact CG2-O 3.25Å; T1451-Y1548 WeakPolarHBondContact CG2-O 3.43Å; T1451-P1552 HydrophobicContact CG2-CG 4.48Å | ||
| 1452 | P | 68.8 | Low | 65.9 | Low | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -68.1 | 99.6 | -174.6 | -9.9 | 25.1 | 0 | 0 | 0 | 108.6 | W1435 L1438 N1454 L1455 I1456 | W1435-P1452 HydrophobicContact CD2-CG 3.84Å; W1435-P1452 VanDerWaalsContact CE2-CG 3.42Å; W1435-P1452 HydrophobicContact CE3-CG 4.07Å; W1435-P1452 HydrophobicContact CH2-CG 3.51Å; W1435-P1452 HydrophobicContact CZ2-CG 3.25Å; W1435-P1452 HydrophobicContact CZ3-CG 3.92Å; L1438-P1452 HydrophobicContact CB-CB 3.59Å; P1452-N1454 PolarHBondContact O-N 3.11Å; P1452-L1455 HydrophobicContact CB-CB 4.03Å; P1452-L1455 WeakPolarHBondContact O-CB 3.32Å; P1452-L1455 PolarHBondContact O-N 3.16Å; P1452-I1456 PolarHBondContact O-N 3.22Å | ||
| 1453 | Q | 76.7 | Confident | 67.8 | Low | 65 Ų | 65 | 71 Ų | 71 | 30% | 0.304 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -33.2 | -170 | -171.7 | 58.7 | 27.9 | 0 | 0 | 111.1 | P1440 T1451 I1456 H1457 | P1440-Q1453 HydrophobicContact CG-CB 4.31Å; T1451-Q1453 PolarHBondContact O-N 3.49Å; Q1453-I1456 PolarHBondContact O-N 2.9Å; Q1453-H1457 WeakPolarHBondContact CG-NE2 3.43Å; Q1453-H1457 PolarHBondContact NE2-CE1 3.22Å; Q1453-H1457 PolarHBondContact NE2-NE2 3.39Å; Q1453-H1457 WeakPolarHBondContact O-CB 3.18Å; Q1453-H1457 PolarHBondContact O-CD2 3.35Å; Q1453-H1457 VanDerWaalsContact O-CG 3.28Å; Q1453-H1457 PolarHBondContact O-N 2.96Å |
| 1454 | N | 82.5 | Confident | 70.1 | Confident | 22 Ų | 22 | 69.2 Ų | 69.2 | 12% | 0.118 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 173.9 | -68.6 | -19 | 0 | 0 | 0 | 112 | L1438 P1452 I1456 H1457 F1458 | L1438-N1454 WeakPolarHBondContact O-CB 3.37Å; L1438-N1454 PolarHBondContact O-ND2 3.03Å; P1452-N1454 PolarHBondContact O-N 3.11Å; N1454-I1456 VanDerWaalsContact C-N 3.33Å; N1454-I1456 PolarHBondContact O-N 3.26Å; N1454-H1457 WeakPolarHBondContact O-CB 3.36Å; N1454-H1457 PolarHBondContact O-N 3.4Å; N1454-F1458 HydrophobicContact CB-CE1 4.45Å; N1454-F1458 HydrophobicContact CB-CE2 3.89Å; N1454-F1458 HydrophobicContact CB-CZ 3.75Å; N1454-F1458 VanDerWaalsContact O-CD1 3.29Å; N1454-F1458 WeakPolarHBondContact O-CD1 3.4Å; N1454-F1458 WeakPolarHBondContact O-CD2 3.44Å; N1454-F1458 WeakPolarHBondContact O-CG 3.36Å; N1454-F1458 PolarHBondContact O-N 3.23Å |
| 1455 | L | 85.1 | Confident | 71.9 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 179.4 | -175.3 | 61 | 0 | 0 | 0 | 111.2 | L1438 P1452 F1458 I1459 L1473 L1474 L1477 | L1438-L1455 HydrophobicContact CD1-CB 4.34Å; L1438-L1455 HydrophobicContact CD1-CD2 4.36Å; P1452-L1455 HydrophobicContact CB-CB 4.03Å; P1452-L1455 WeakPolarHBondContact O-CB 3.32Å; P1452-L1455 PolarHBondContact O-N 3.16Å; L1455-F1458 PolarHBondContact O-N 3.06Å; L1455-I1459 WeakPolarHBondContact O-CG1 3.37Å; L1455-I1459 PolarHBondContact O-N 2.76Å; L1455-I1459 VanDerWaalsContact O-N 3.1Å; L1455-L1473 HydrophobicContact CD1-CD2 4.31Å; L1455-L1473 HydrophobicContact CD1-CG 4.47Å; L1455-L1474 HydrophobicContact CD1-CB 4.36Å; L1455-L1474 HydrophobicContact CD2-CB 4.33Å; L1455-L1474 HydrophobicContact CD2-CD1 3.83Å; L1455-L1477 HydrophobicContact CD2-CD1 4.19Å |
| 1456 | I | 86.3 | Confident | 73.9 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 174.6 | -69.7 | 163 | 0 | 0 | 0 | 110.6 | T1451 P1452 Q1453 N1454 F1458 I1459 E1460 K1551 I1555 | T1451-I1456 HydrophobicContact CG2-CD1 3.67Å; P1452-I1456 PolarHBondContact O-N 3.22Å; Q1453-I1456 PolarHBondContact O-N 2.9Å; N1454-I1456 VanDerWaalsContact C-N 3.33Å; N1454-I1456 PolarHBondContact O-N 3.26Å; I1456-F1458 VanDerWaalsContact C-N 3.27Å; I1456-F1458 PolarHBondContact O-N 3.49Å; I1456-I1459 VanDerWaalsContact O-CG1 3.26Å; I1456-I1459 WeakPolarHBondContact O-CG1 3.41Å; I1456-I1459 PolarHBondContact O-N 3.35Å; I1456-E1460 HydrophobicContact CG2-CG 4.36Å; I1456-E1460 WeakPolarHBondContact CG2-OE2 3.41Å; I1456-E1460 WeakPolarHBondContact O-CB 3.45Å; I1456-E1460 WeakPolarHBondContact O-CG 3.4Å; I1456-E1460 PolarHBondContact O-N 3.49Å; I1456-K1551 HydrophobicContact CD1-CD 3.66Å; I1456-K1551 HydrophobicContact CD1-CG 4.13Å; I1456-I1555 HydrophobicContact CG2-CD1 3.97Å |
| 1457 | H | 85.4 | Confident | 76.3 | Confident | 95 Ų | 95 | 52 Ų | 52 | 44% | 0.44 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.9 | -36.6 | 177.4 | -75.1 | -50.4 | 0 | 0 | 0 | 112.9 | Q1453 N1454 D1461 | Q1453-H1457 WeakPolarHBondContact CG-NE2 3.43Å; Q1453-H1457 PolarHBondContact NE2-CE1 3.22Å; Q1453-H1457 PolarHBondContact NE2-NE2 3.39Å; Q1453-H1457 WeakPolarHBondContact O-CB 3.18Å; Q1453-H1457 PolarHBondContact O-CD2 3.35Å; Q1453-H1457 VanDerWaalsContact O-CG 3.28Å; Q1453-H1457 PolarHBondContact O-N 2.96Å; N1454-H1457 WeakPolarHBondContact O-CB 3.36Å; N1454-H1457 PolarHBondContact O-N 3.4Å; H1457-D1461 PolarHBondContact O-N 2.94Å; H1457-D1461 VanDerWaalsContact O-N 3.13Å |
| 1458 | F | 87.1 | Confident | 78.5 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.1 | -41.7 | 179 | -55.5 | -27.1 | 0 | 0 | 0 | 112.3 | F1380 K1388 C1392 L1438 N1454 L1455 I1456 L1466 I1467 | F1380-F1458 HydrophobicContact CB-CZ 3.88Å; F1380-F1458 HydrophobicContact CD1-CE1 4.5Å; F1380-F1458 AromaticContact CD1-CE2 3.54Å; F1380-F1458 HydrophobicContact CD1-CE2 3.54Å; F1380-F1458 AromaticContact CD1-CZ 3.33Å; F1380-F1458 HydrophobicContact CD1-CZ 3.33Å; F1380-F1458 AromaticContact CE1-CE2 3.78Å; F1380-F1458 HydrophobicContact CE1-CE2 3.78Å; F1380-F1458 HydrophobicContact CE1-CZ 4.06Å; F1380-F1458 HydrophobicContact CG-CE2 4.14Å; F1380-F1458 AromaticContact CG-CZ 3.78Å; F1380-F1458 HydrophobicContact CG-CZ 3.78Å; K1388-F1458 HydrophobicContact CB-CE1 4.33Å; K1388-F1458 HydrophobicContact CD-CE1 3.97Å; K1388-F1458 HydrophobicContact CG-CE1 4.47Å; C1392-F1458 WeakPolarHBondContact SG-CD2 3.38Å; C1392-F1458 WeakPolarHBondContact SG-CE2 3.22Å; L1438-F1458 HydrophobicContact CD2-CE2 4.17Å; N1454-F1458 HydrophobicContact CB-CE1 4.45Å; N1454-F1458 HydrophobicContact CB-CE2 3.89Å; N1454-F1458 HydrophobicContact CB-CZ 3.75Å; N1454-F1458 VanDerWaalsContact O-CD1 3.29Å; N1454-F1458 WeakPolarHBondContact O-CD1 3.4Å; N1454-F1458 WeakPolarHBondContact O-CD2 3.44Å; N1454-F1458 WeakPolarHBondContact O-CG 3.36Å; N1454-F1458 PolarHBondContact O-N 3.23Å; L1455-F1458 PolarHBondContact O-N 3.06Å; I1456-F1458 VanDerWaalsContact C-N 3.27Å; I1456-F1458 PolarHBondContact O-N 3.49Å; F1458-L1466 HydrophobicContact CB-CD1 4.17Å; F1458-L1466 HydrophobicContact CB-CG 4.1Å; F1458-L1466 HydrophobicContact CD1-CD1 4Å; F1458-L1466 HydrophobicContact CD1-CD2 4.13Å; F1458-L1466 HydrophobicContact CD1-CG 4.28Å; F1458-L1466 HydrophobicContact CG-CD1 4.13Å; F1458-L1466 HydrophobicContact CG-CG 4.46Å; F1458-I1467 WeakPolarHBondContact O-CA 3.41Å |
| 1459 | I | 89.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -76.7 | -21.3 | 178.4 | 64.2 | 179.6 | 0 | 0 | 0 | 112.6 | L1455 I1456 L1471 L1474 P1552 I1555 H1559 | L1455-I1459 WeakPolarHBondContact O-CG1 3.37Å; L1455-I1459 PolarHBondContact O-N 2.76Å; L1455-I1459 VanDerWaalsContact O-N 3.1Å; I1456-I1459 VanDerWaalsContact O-CG1 3.26Å; I1456-I1459 WeakPolarHBondContact O-CG1 3.41Å; I1456-I1459 PolarHBondContact O-N 3.35Å; I1459-L1471 HydrophobicContact CB-CD2 4.31Å; I1459-L1471 HydrophobicContact CG2-CD2 3.88Å; I1459-L1471 HydrophobicContact CG2-CG 4.11Å; I1459-L1474 HydrophobicContact CD1-CD2 4.43Å; I1459-P1552 HydrophobicContact CD1-CB 4.05Å; I1459-I1555 HydrophobicContact CB-CG2 4.32Å; I1459-I1555 HydrophobicContact CD1-CB 4.05Å; I1459-I1555 HydrophobicContact CD1-CD1 3.72Å; I1459-I1555 HydrophobicContact CD1-CG2 4.02Å; I1459-I1555 HydrophobicContact CG1-CB 4.46Å; I1459-I1555 HydrophobicContact CG1-CD1 4.04Å; I1459-I1555 HydrophobicContact CG1-CG2 3.92Å; I1459-H1559 PolarHBondContact O-CE1 2.66Å; I1459-H1559 PolarHBondContact O-NE2 3.49Å |
| 1460 | E | 89.6 | Confident | 82 | Confident | 96 Ų | 96 | 35.7 Ų | 35.7 | 45% | 0.449 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -94.5 | -1.7 | 175 | -67.9 | -175.6 | 143.9 | 0 | 0 | 114.2 | I1456 I1555 | I1456-E1460 HydrophobicContact CG2-CG 4.36Å; I1456-E1460 WeakPolarHBondContact CG2-OE2 3.41Å; I1456-E1460 WeakPolarHBondContact O-CB 3.45Å; I1456-E1460 WeakPolarHBondContact O-CG 3.4Å; I1456-E1460 PolarHBondContact O-N 3.49Å; E1460-I1555 HydrophobicContact CG-CD1 3.58Å; E1460-I1555 HydrophobicContact CG-CG1 3.87Å; E1460-I1555 HydrophobicContact CG-CG2 3.91Å; E1460-I1555 VanDerWaalsContact OE1-CD1 3.31Å; E1460-I1555 WeakPolarHBondContact OE1-CD1 3.16Å; E1460-I1555 WeakPolarHBondContact OE1-CG1 3.43Å |
| 1461 | D | 87.7 | Confident | 83.5 | Confident | 41 Ų | 41 | 31.4 Ų | 31.4 | 22% | 0.219 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -63.2 | 162.2 | -178.8 | -157.6 | -77.3 | 0 | 0 | 0 | 111.8 | K1385 H1457 H1463 L1466 I1467 | K1385-D1461 IonicContact NZ-OD1 3.03Å; K1385-D1461 PolarHBondContact NZ-OD1 2.84Å; K1385-D1461 IonicContact NZ-OD2 3.75Å; H1457-D1461 PolarHBondContact O-N 2.94Å; H1457-D1461 VanDerWaalsContact O-N 3.13Å; D1461-H1463 WeakPolarHBondContact OD1-CB 3.49Å; D1461-H1463 PolarHBondContact OD1-N 3Å; D1461-L1466 HydrophobicContact CB-CD2 3.82Å; D1461-L1466 HydrophobicContact CB-CG 4.39Å; D1461-I1467 WeakPolarHBondContact O-CD1 3.41Å; D1461-I1467 WeakPolarHBondContact O-CG1 3.36Å |
| 1462 | S | 85.3 | Confident | 84.5 | Confident | 104 Ų | 104 | 30.6 Ų | 30.6 | 73% | 0.727 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -80.9 | -17.2 | 173.9 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1463 | H | 85.8 | Confident | 85.3 | Confident | 66 Ų | 66 | 30.6 Ų | 30.6 | 31% | 0.306 | 16% | 0.163 | S | C | . | . | trans | -88.1 | 111.2 | -174.7 | -160.3 | -78 | 0 | 0 | 0 | 112 | K1385 W1389 D1461 I1465 L1466 I1467 | K1385-H1463 HydrophobicContact CD-CB 3.89Å; W1389-H1463 AromaticContact CH2-CE1 3.64Å; W1389-H1463 AromaticContact CZ3-CE1 3.4Å; W1389-H1463 VanDerWaalsContact CZ3-CE1 3.4Å; W1389-H1463 WeakPolarHBondContact CZ3-CE1 3.4Å; W1389-H1463 AromaticContact CZ3-ND1 3.49Å; W1389-H1463 WeakPolarHBondContact CZ3-ND1 3.43Å; W1389-H1463 AromaticContact CZ3-NE2 3.88Å; D1461-H1463 WeakPolarHBondContact OD1-CB 3.49Å; D1461-H1463 PolarHBondContact OD1-N 3Å; H1463-I1465 VanDerWaalsContact C-N 3.25Å; H1463-I1465 PolarHBondContact O-N 3.33Å; H1463-I1465 VanDerWaalsContact O-N 3.08Å; H1463-L1466 HydrophobicContact CB-CB 4.39Å; H1463-L1466 PolarHBondContact O-N 3.41Å; H1463-I1467 PolarHBondContact O-N 2.98Å | ||
| 1464 | V | 84.7 | Confident | 85.8 | Confident | 49 Ų | 49 | 27.5 Ų | 27.5 | 30% | 0.297 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -48 | -43.3 | -175.1 | 175 | 0 | 0 | 0 | 0 | 113.3 | L1466 I1467 V1468 C1564 I1567 | V1464-L1466 PolarHBondContact O-N 3.29Å; V1464-I1467 PolarHBondContact O-N 2.96Å; V1464-V1468 HydrophobicContact CG1-CG2 4.41Å; V1464-V1468 WeakPolarHBondContact O-CG2 3.35Å; V1464-V1468 PolarHBondContact O-N 2.9Å; V1464-C1564 HydrophobicContact CG1-CB 4.07Å; V1464-I1567 HydrophobicContact CB-CD1 4.31Å; V1464-I1567 HydrophobicContact CG1-CD1 3.79Å; V1464-I1567 HydrophobicContact CG1-CG1 4.44Å; V1464-I1567 HydrophobicContact CG2-CD1 4.39Å |
| 1465 | I | 81.3 | Confident | 85.9 | Confident | 36 Ų | 36 | 27 Ų | 27 | 19% | 0.185 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | -179.1 | -56.2 | -178 | 0 | 0 | 0 | 111.7 | L1318 W1389 H1463 I1467 V1468 H1469 | L1318-I1465 HydrophobicContact CD1-CD1 3.91Å; L1318-I1465 HydrophobicContact CD1-CG2 4.35Å; L1318-I1465 HydrophobicContact CD2-CD1 3.52Å; L1318-I1465 HydrophobicContact CD2-CG1 4.11Å; L1318-I1465 HydrophobicContact CG-CD1 4.23Å; W1389-I1465 HydrophobicContact CB-CG2 4.4Å; W1389-I1465 HydrophobicContact CD2-CB 4.36Å; W1389-I1465 HydrophobicContact CD2-CG2 3.74Å; W1389-I1465 HydrophobicContact CE3-CB 4.34Å; W1389-I1465 HydrophobicContact CE3-CG2 4.22Å; W1389-I1465 HydrophobicContact CG-CG2 3.85Å; H1463-I1465 VanDerWaalsContact C-N 3.25Å; H1463-I1465 PolarHBondContact O-N 3.33Å; H1463-I1465 VanDerWaalsContact O-N 3.08Å; I1465-I1467 VanDerWaalsContact C-N 3.34Å; I1465-I1467 PolarHBondContact O-N 3.08Å; I1465-V1468 PolarHBondContact O-N 3.34Å; I1465-H1469 PolarHBondContact O-CD2 3.11Å; I1465-H1469 PolarHBondContact O-N 3.28Å |
| 1466 | L | 84.2 | Confident | 85.6 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.3 | -39.3 | -179.2 | -173.6 | 59.1 | 0 | 0 | 0 | 111 | K1388 W1389 F1458 D1461 H1463 V1464 H1469 G1470 | K1388-L1466 HydrophobicContact CB-CD1 3.88Å; K1388-L1466 HydrophobicContact CD-CD2 4.5Å; W1389-L1466 HydrophobicContact CB-CB 4.4Å; W1389-L1466 HydrophobicContact CB-CD1 3.61Å; W1389-L1466 HydrophobicContact CE3-CB 4.18Å; F1458-L1466 HydrophobicContact CB-CD1 4.17Å; F1458-L1466 HydrophobicContact CB-CG 4.1Å; F1458-L1466 HydrophobicContact CD1-CD1 4Å; F1458-L1466 HydrophobicContact CD1-CD2 4.13Å; F1458-L1466 HydrophobicContact CD1-CG 4.28Å; F1458-L1466 HydrophobicContact CG-CD1 4.13Å; F1458-L1466 HydrophobicContact CG-CG 4.46Å; D1461-L1466 HydrophobicContact CB-CD2 3.82Å; D1461-L1466 HydrophobicContact CB-CG 4.39Å; H1463-L1466 HydrophobicContact CB-CB 4.39Å; H1463-L1466 PolarHBondContact O-N 3.41Å; V1464-L1466 PolarHBondContact O-N 3.29Å; L1466-H1469 PolarHBondContact O-N 2.67Å; L1466-G1470 PolarHBondContact O-N 3.32Å |
| 1467 | I | 88.2 | Confident | 85.3 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.4 | -48.6 | 174.2 | -56 | 170.1 | 0 | 0 | 0 | 110.1 | F1458 D1461 H1463 V1464 I1465 H1469 G1470 L1471 I1567 | F1458-I1467 WeakPolarHBondContact O-CA 3.41Å; D1461-I1467 WeakPolarHBondContact O-CD1 3.41Å; D1461-I1467 WeakPolarHBondContact O-CG1 3.36Å; H1463-I1467 PolarHBondContact O-N 2.98Å; V1464-I1467 PolarHBondContact O-N 2.96Å; I1465-I1467 VanDerWaalsContact C-N 3.34Å; I1465-I1467 PolarHBondContact O-N 3.08Å; I1467-H1469 PolarHBondContact O-N 3.18Å; I1467-G1470 PolarHBondContact O-N 2.96Å; I1467-L1471 HydrophobicContact CG2-CD1 3.77Å; I1467-L1471 HydrophobicContact CG2-CG 4.15Å; I1467-L1471 WeakPolarHBondContact O-CB 3.45Å; I1467-L1471 VanDerWaalsContact O-CG 3.25Å; I1467-L1471 WeakPolarHBondContact O-CG 3.25Å; I1467-L1471 PolarHBondContact O-N 3.45Å; I1467-I1567 HydrophobicContact CB-CD1 3.93Å; I1467-I1567 HydrophobicContact CB-CG1 4.38Å; I1467-I1567 HydrophobicContact CD1-CD1 3.85Å; I1467-I1567 HydrophobicContact CG2-CD1 3.82Å; I1467-I1567 HydrophobicContact CG2-CG1 3.97Å; I1467-I1567 HydrophobicContact CG2-CG2 4.23Å |
| 1468 | V | 84.7 | Confident | 84.8 | Confident | 16 Ų | 16 | 23.4 Ų | 23.4 | 10% | 0.097 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | -179.2 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | V1464 I1465 L1471 S1472 V1566 I1567 Y1570 | V1464-V1468 HydrophobicContact CG1-CG2 4.41Å; V1464-V1468 WeakPolarHBondContact O-CG2 3.35Å; V1464-V1468 PolarHBondContact O-N 2.9Å; I1465-V1468 PolarHBondContact O-N 3.34Å; V1468-L1471 PolarHBondContact O-N 3.06Å; V1468-S1472 WeakPolarHBondContact O-CB 3.42Å; V1468-S1472 PolarHBondContact O-N 2.99Å; V1468-V1566 HydrophobicContact CG1-CG1 3.95Å; V1468-V1566 HydrophobicContact CG2-CB 4.36Å; V1468-V1566 HydrophobicContact CG2-CG1 3.91Å; V1468-I1567 HydrophobicContact CG2-CD1 4.46Å; V1468-I1567 HydrophobicContact CG2-CG1 3.67Å; V1468-Y1570 HydrophobicContact CG1-CD2 4.16Å; V1468-Y1570 HydrophobicContact CG1-CE2 3.81Å |
| 1469 | H | 84.1 | Confident | 84 | Confident | 27 Ų | 27 | 25.5 Ų | 25.5 | 13% | 0.125 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.8 | -37.1 | 177.6 | -74.6 | -70.2 | 0 | 0 | 0 | 112.9 | W1389 C1392 A1393 I1465 L1466 I1467 S1472 L1473 | W1389-H1469 HydrophobicContact CB-CB 4.2Å; C1392-H1469 HydrophobicContact CB-CB 4.02Å; A1393-H1469 WeakPolarHBondContact CB-ND1 3.41Å; I1465-H1469 PolarHBondContact O-CD2 3.11Å; I1465-H1469 PolarHBondContact O-N 3.28Å; L1466-H1469 PolarHBondContact O-N 2.67Å; I1467-H1469 PolarHBondContact O-N 3.18Å; H1469-S1472 PolarHBondContact O-N 3.3Å; H1469-L1473 WeakPolarHBondContact O-CB 3.02Å; H1469-L1473 PolarHBondContact O-N 3.21Å |
| 1470 | G | 86.9 | Confident | 83 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1466 I1467 L1473 L1474 | L1466-G1470 PolarHBondContact O-N 3.32Å; I1467-G1470 PolarHBondContact O-N 2.96Å; G1470-L1473 PolarHBondContact O-N 3.45Å; G1470-L1474 WeakPolarHBondContact O-CB 3.41Å; G1470-L1474 PolarHBondContact O-N 2.85Å |
| 1471 | L | 87.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.3 | -39.6 | 175.8 | -68.1 | 173.7 | 0 | 0 | 0 | 111.8 | I1459 I1467 V1468 L1474 N1475 C1556 I1567 Y1570 I1574 | I1459-L1471 HydrophobicContact CB-CD2 4.31Å; I1459-L1471 HydrophobicContact CG2-CD2 3.88Å; I1459-L1471 HydrophobicContact CG2-CG 4.11Å; I1467-L1471 HydrophobicContact CG2-CD1 3.77Å; I1467-L1471 HydrophobicContact CG2-CG 4.15Å; I1467-L1471 WeakPolarHBondContact O-CB 3.45Å; I1467-L1471 VanDerWaalsContact O-CG 3.25Å; I1467-L1471 WeakPolarHBondContact O-CG 3.25Å; I1467-L1471 PolarHBondContact O-N 3.45Å; V1468-L1471 PolarHBondContact O-N 3.06Å; L1471-L1474 PolarHBondContact O-N 3.02Å; L1471-N1475 WeakPolarHBondContact O-CB 3.32Å; L1471-N1475 PolarHBondContact O-N 3.39Å; L1471-C1556 VanDerWaalsContact CD2-SG 3.53Å; L1471-I1567 HydrophobicContact CD1-CG2 4.11Å; L1471-Y1570 HydrophobicContact CB-CD1 4.48Å; L1471-Y1570 HydrophobicContact CB-CG 4.22Å; L1471-I1574 HydrophobicContact CB-CD1 3.9Å; L1471-I1574 HydrophobicContact CD2-CD1 3.67Å; L1471-I1574 HydrophobicContact CG-CD1 4.37Å; L1471-I1574 WeakPolarHBondContact O-CD1 3.38Å |
| 1472 | S | 84.4 | Confident | 80.3 | Confident | 17 Ų | 17 | 24.1 Ų | 24.1 | 12% | 0.119 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.4 | -47.4 | 173.9 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | S1396 V1468 H1469 L1474 N1475 N1476 | S1396-S1472 PolarHBondContact OG-OG 3.38Å; V1468-S1472 WeakPolarHBondContact O-CB 3.42Å; V1468-S1472 PolarHBondContact O-N 2.99Å; H1469-S1472 PolarHBondContact O-N 3.3Å; S1472-L1474 PolarHBondContact O-N 3.13Å; S1472-N1475 WeakPolarHBondContact O-CB 3.38Å; S1472-N1475 PolarHBondContact O-N 3.21Å; S1472-N1476 PolarHBondContact O-N 3.13Å |
| 1473 | L | 85.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.1 | -44.6 | 176.4 | 179.6 | 59 | 0 | 0 | 0 | 111.7 | C1392 L1395 L1399 V1434 L1438 L1455 H1469 G1470 N1475 N1476 L1477 | C1392-L1473 HydrophobicContact CB-CD2 4.3Å; L1395-L1473 HydrophobicContact CB-CD1 3.72Å; L1395-L1473 HydrophobicContact CB-CD2 4.42Å; L1399-L1473 HydrophobicContact CD1-CD1 3.93Å; V1434-L1473 HydrophobicContact CG1-CD1 4.03Å; L1438-L1473 HydrophobicContact CD1-CD2 3.97Å; L1438-L1473 HydrophobicContact CD1-CG 4.48Å; L1438-L1473 HydrophobicContact CD2-CD2 3.96Å; L1438-L1473 HydrophobicContact CG-CD2 4.49Å; L1455-L1473 HydrophobicContact CD1-CD2 4.31Å; L1455-L1473 HydrophobicContact CD1-CG 4.47Å; H1469-L1473 WeakPolarHBondContact O-CB 3.02Å; H1469-L1473 PolarHBondContact O-N 3.21Å; G1470-L1473 PolarHBondContact O-N 3.45Å; L1473-N1475 VanDerWaalsContact C-N 3.33Å; L1473-N1475 PolarHBondContact O-N 2.81Å; L1473-N1476 PolarHBondContact O-N 3.33Å; L1473-L1477 HydrophobicContact CD1-CD1 4.37Å; L1473-L1477 HydrophobicContact CD1-CG 4.45Å; L1473-L1477 HydrophobicContact CG-CD1 4.11Å; L1473-L1477 WeakPolarHBondContact O-CB 3.14Å; L1473-L1477 WeakPolarHBondContact O-CG 3.42Å; L1473-L1477 PolarHBondContact O-N 2.85Å |
| 1474 | L | 86.8 | Confident | 76.7 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 176 | 176.9 | 60.5 | 0 | 0 | 0 | 111.7 | L1455 I1459 G1470 L1471 S1472 L1477 M1478 F1549 P1552 I1574 | L1455-L1474 HydrophobicContact CD1-CB 4.36Å; L1455-L1474 HydrophobicContact CD2-CB 4.33Å; L1455-L1474 HydrophobicContact CD2-CD1 3.83Å; I1459-L1474 HydrophobicContact CD1-CD2 4.43Å; G1470-L1474 WeakPolarHBondContact O-CB 3.41Å; G1470-L1474 PolarHBondContact O-N 2.85Å; L1471-L1474 PolarHBondContact O-N 3.02Å; S1472-L1474 PolarHBondContact O-N 3.13Å; L1474-L1477 PolarHBondContact O-N 3.09Å; L1474-M1478 WeakPolarHBondContact O-CG 3.33Å; L1474-M1478 PolarHBondContact O-N 3.5Å; L1474-F1549 HydrophobicContact CD1-CD1 3.8Å; L1474-F1549 HydrophobicContact CD1-CE1 3.49Å; L1474-F1549 VanDerWaalsContact CD1-CE1 3.49Å; L1474-P1552 HydrophobicContact CD1-CB 4.15Å; L1474-P1552 HydrophobicContact CD2-CB 3.71Å; L1474-I1574 HydrophobicContact CB-CD1 4.38Å; L1474-I1574 HydrophobicContact CD2-CD1 4.04Å; L1474-I1574 HydrophobicContact CD2-CG2 4.22Å; L1474-I1574 HydrophobicContact CG-CD1 4.24Å; L1474-I1574 HydrophobicContact CG-CG2 4.49Å |
| 1475 | N | 83.7 | Confident | 74.6 | Confident | 10 Ų | 10 | 25.1 Ų | 25.1 | 5% | 0.053 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.6 | -48.1 | 177 | -175.9 | 73.3 | 0 | 0 | 0 | 112.1 | L1471 S1472 L1473 M1478 L1479 L1573 I1574 N1577 | L1471-N1475 WeakPolarHBondContact O-CB 3.32Å; L1471-N1475 PolarHBondContact O-N 3.39Å; S1472-N1475 WeakPolarHBondContact O-CB 3.38Å; S1472-N1475 PolarHBondContact O-N 3.21Å; L1473-N1475 VanDerWaalsContact C-N 3.33Å; L1473-N1475 PolarHBondContact O-N 2.81Å; N1475-M1478 PolarHBondContact O-N 3.32Å; N1475-L1479 WeakPolarHBondContact O-CG 3.09Å; N1475-L1479 PolarHBondContact O-N 3.19Å; N1475-L1479 VanDerWaalsContact O-N 3.1Å; N1475-L1573 WeakPolarHBondContact OD1-CD2 3.42Å; N1475-L1573 WeakPolarHBondContact OD1-CG 3.48Å; N1475-I1574 HydrophobicContact CB-CD1 4.48Å; N1475-I1574 HydrophobicContact CB-CG1 3.92Å; N1475-N1577 PolarHBondContact OD1-ND2 3.21Å |
| 1476 | N | 79.7 | Confident | 72.7 | Confident | 17 Ų | 17 | 27.5 Ų | 27.5 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.8 | -33.7 | -178.8 | -68.3 | -8.8 | 0 | 0 | 0 | 112.3 | S1396 L1399 I1403 S1472 L1473 M1478 L1479 C1480 | S1396-N1476 PolarHBondContact O-ND2 3.1Å; S1396-N1476 PolarHBondContact OG-ND2 3.33Å; L1399-N1476 HydrophobicContact CB-CB 3.87Å; L1399-N1476 HydrophobicContact CD1-CB 4.26Å; I1403-N1476 HydrophobicContact CD1-CB 4.32Å; S1472-N1476 PolarHBondContact O-N 3.13Å; L1473-N1476 PolarHBondContact O-N 3.33Å; N1476-M1478 VanDerWaalsContact C-N 3.33Å; N1476-M1478 PolarHBondContact O-N 3.3Å; N1476-L1479 PolarHBondContact O-N 3.21Å; N1476-C1480 PolarHBondContact O-N 3.15Å; N1476-C1480 VanDerWaalsContact O-N 3.1Å; N1476-C1480 PolarHBondContact O-SG 3.37Å |
| 1477 | L | 79.2 | Confident | 70.4 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.3 | -45.3 | 169.4 | -85.2 | 167.4 | 0 | 0 | 0 | 111.4 | L1399 V1434 W1435 L1438 L1455 L1473 L1474 L1479 C1480 M1481 | L1399-L1477 HydrophobicContact CD1-CB 4.32Å; L1399-L1477 HydrophobicContact CD1-CD2 3.69Å; L1399-L1477 HydrophobicContact CD1-CG 3.57Å; V1434-L1477 HydrophobicContact CB-CD2 3.94Å; V1434-L1477 HydrophobicContact CG1-CD1 4.26Å; V1434-L1477 HydrophobicContact CG1-CD2 3.76Å; V1434-L1477 HydrophobicContact CG1-CG 4.21Å; W1435-L1477 HydrophobicContact CE3-CD1 4.41Å; W1435-L1477 HydrophobicContact CE3-CD2 4.47Å; L1438-L1477 HydrophobicContact CD1-CD1 3.64Å; L1455-L1477 HydrophobicContact CD2-CD1 4.19Å; L1473-L1477 HydrophobicContact CD1-CD1 4.37Å; L1473-L1477 HydrophobicContact CD1-CG 4.45Å; L1473-L1477 HydrophobicContact CG-CD1 4.11Å; L1473-L1477 WeakPolarHBondContact O-CB 3.14Å; L1473-L1477 WeakPolarHBondContact O-CG 3.42Å; L1473-L1477 PolarHBondContact O-N 2.85Å; L1474-L1477 PolarHBondContact O-N 3.09Å; L1477-L1479 PolarHBondContact O-N 3Å; L1477-C1480 PolarHBondContact O-N 3.43Å; L1477-M1481 WeakPolarHBondContact O-CG 3.33Å; L1477-M1481 PolarHBondContact O-N 3.35Å |
| 1478 | M | 75 | Confident | 67.7 | Low | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 177.9 | -73.3 | -164.9 | -45.9 | 0 | 0 | 113.1 | L1474 N1475 N1476 C1480 M1481 F1549 I1574 N1577 V1578 L1581 | L1474-M1478 WeakPolarHBondContact O-CG 3.33Å; L1474-M1478 PolarHBondContact O-N 3.5Å; N1475-M1478 PolarHBondContact O-N 3.32Å; N1476-M1478 VanDerWaalsContact C-N 3.33Å; N1476-M1478 PolarHBondContact O-N 3.3Å; M1478-C1480 VanDerWaalsContact C-N 3.27Å; M1478-C1480 PolarHBondContact O-N 2.86Å; M1478-M1481 HydrophobicContact CG-CE 4.31Å; M1478-M1481 PolarHBondContact O-N 3.28Å; M1478-M1481 VanDerWaalsContact O-N 3.14Å; M1478-F1549 HydrophobicContact CG-CD1 3.76Å; M1478-F1549 HydrophobicContact CG-CE1 3.27Å; M1478-F1549 HydrophobicContact CG-CZ 3.94Å; M1478-F1549 HydrophobicContact SD-CD1 3.86Å; M1478-F1549 HydrophobicContact SD-CE1 4.03Å; M1478-I1574 HydrophobicContact CE-CB 3.95Å; M1478-I1574 HydrophobicContact CE-CG1 4.13Å; M1478-I1574 HydrophobicContact CE-CG2 3.58Å; M1478-I1574 WeakPolarHBondContact CE-O 3.32Å; M1478-I1574 HydrophobicContact SD-CG2 4.19Å; M1478-N1577 HydrophobicContact CE-CB 3.51Å; M1478-V1578 HydrophobicContact CE-CG2 4.31Å; M1478-V1578 HydrophobicContact SD-CG2 3.63Å; M1478-L1581 HydrophobicContact CB-CD1 4.06Å |
| 1479 | L | 70.8 | Confident | 65.3 | Low | 47 Ų | 47 | 41 Ų | 41 | 25% | 0.246 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65 | -31.4 | 177.5 | -69 | 173.5 | 0 | 0 | 0 | 112.3 | I1403 N1475 N1476 L1477 M1481 Y1482 | I1403-L1479 HydrophobicContact CD1-CB 3.65Å; I1403-L1479 HydrophobicContact CD1-CD1 4.32Å; I1403-L1479 HydrophobicContact CG1-CB 4.46Å; N1475-L1479 WeakPolarHBondContact O-CG 3.09Å; N1475-L1479 PolarHBondContact O-N 3.19Å; N1475-L1479 VanDerWaalsContact O-N 3.1Å; N1476-L1479 PolarHBondContact O-N 3.21Å; L1477-L1479 PolarHBondContact O-N 3Å; L1479-M1481 VanDerWaalsContact C-N 3.26Å; L1479-M1481 PolarHBondContact O-N 3.32Å; L1479-Y1482 WeakPolarHBondContact O-CB 3.31Å |
| 1480 | C | 67.3 | Low | 63 | Low | 21 Ų | 21 | 45 Ų | 45 | 14% | 0.142 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.3 | -15.1 | 174.7 | -65.9 | 0 | 0 | 0 | 0 | 113.9 | N1476 L1477 M1478 Y1482 | N1476-C1480 PolarHBondContact O-N 3.15Å; N1476-C1480 VanDerWaalsContact O-N 3.1Å; N1476-C1480 PolarHBondContact O-SG 3.37Å; L1477-C1480 PolarHBondContact O-N 3.43Å; M1478-C1480 VanDerWaalsContact C-N 3.27Å; M1478-C1480 PolarHBondContact O-N 2.86Å; C1480-Y1482 PolarHBondContact O-N 2.81Å |
| 1481 | M | 61.9 | Low | 60.3 | Low | 24 Ų | 24 | 48.8 Ų | 48.8 | 12% | 0.118 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 2.9 | 178.3 | -63.6 | -163 | -57.4 | 0 | 0 | 113.9 | L1477 M1478 L1479 S1483 L1540 L1545 F1549 | L1477-M1481 WeakPolarHBondContact O-CG 3.33Å; L1477-M1481 PolarHBondContact O-N 3.35Å; M1478-M1481 HydrophobicContact CG-CE 4.31Å; M1478-M1481 PolarHBondContact O-N 3.28Å; M1478-M1481 VanDerWaalsContact O-N 3.14Å; L1479-M1481 VanDerWaalsContact C-N 3.26Å; L1479-M1481 PolarHBondContact O-N 3.32Å; M1481-S1483 PolarHBondContact O-N 3.46Å; M1481-L1540 HydrophobicContact CG-CD1 4.42Å; M1481-L1540 HydrophobicContact CG-CD2 4.19Å; M1481-L1540 HydrophobicContact SD-CB 4.49Å; M1481-L1540 HydrophobicContact SD-CD2 3.64Å; M1481-L1545 HydrophobicContact CE-CD2 3.04Å; M1481-L1545 HydrophobicContact SD-CD2 3.35Å; M1481-L1545 WeakPolarHBondContact SD-CD2 3.43Å; M1481-F1549 HydrophobicContact CE-CD2 3.81Å; M1481-F1549 HydrophobicContact CE-CE1 4.13Å; M1481-F1549 HydrophobicContact CE-CE2 3.08Å; M1481-F1549 HydrophobicContact CE-CZ 3.25Å; M1481-F1549 HydrophobicContact SD-CE2 3.45Å; M1481-F1549 WeakPolarHBondContact SD-CE2 3.33Å; M1481-F1549 HydrophobicContact SD-CZ 3.73Å |
| 1482 | Y | 59.3 | Low | 57.5 | Low | 64 Ų | 64 | 54 Ų | 54 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | trans | -71.6 | 94.6 | -173 | -153.9 | -92.7 | 0 | 0 | 0 | 111.9 | L1479 C1480 M1487 F1580 L1581 | L1479-Y1482 WeakPolarHBondContact O-CB 3.31Å; C1480-Y1482 PolarHBondContact O-N 2.81Å; Y1482-M1487 HydrophobicContact CE1-CG 3.72Å; Y1482-M1487 WeakPolarHBondContact OH-CG 3.39Å; Y1482-M1487 PolarHBondContact OH-SD 3.49Å; Y1482-M1487 VanDerWaalsContact OH-SD 3.37Å; Y1482-F1580 HydrophobicContact CD2-CE1 4.06Å; Y1482-F1580 AromaticContact CE2-CD1 3.74Å; Y1482-F1580 HydrophobicContact CE2-CD1 3.74Å; Y1482-F1580 AromaticContact CE2-CE1 3.1Å; Y1482-F1580 HydrophobicContact CE2-CE1 3.1Å; Y1482-F1580 AromaticContact CE2-CZ 3.66Å; Y1482-F1580 HydrophobicContact CE2-CZ 3.66Å; Y1482-F1580 AromaticContact CZ-CE1 3.53Å; Y1482-F1580 AromaticContact CZ-CZ 3.6Å; Y1482-F1580 WeakPolarHBondContact OH-CE1 3.33Å; Y1482-F1580 WeakPolarHBondContact OH-CZ 3.37Å; Y1482-L1581 HydrophobicContact CD2-CD2 3.52Å; Y1482-L1581 HydrophobicContact CE2-CD2 3.9Å | ||
| 1483 | S | 50.2 | Low | 55 | Low | 20 Ų | 20 | 61.2 Ų | 61.2 | 14% | 0.14 | 32% | 0.323 | C | S | . | . | trans | -84.5 | 135.7 | 176 | 66.9 | 0 | 0 | 0 | 0 | 112.5 | M1481 S1485 N1486 | M1481-S1483 PolarHBondContact O-N 3.46Å; S1483-S1485 PolarHBondContact O-N 3.4Å; S1483-S1485 PolarHBondContact OG-OG 3.37Å; S1483-S1485 VanDerWaalsContact OG-OG 3.09Å; S1483-N1486 PolarHBondContact O-N 2.95Å | ||
| 1484 | E | 44.8 | Very low | 52.5 | Low | 145 Ų | 145 | 65.2 Ų | 65.2 | 68% | 0.678 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -52.9 | -19.1 | 179.6 | -73.3 | -165.5 | 143.8 | 0 | 0 | 115.5 | N1486 M1487 | E1484-N1486 VanDerWaalsContact C-N 3.27Å; E1484-N1486 PolarHBondContact O-N 3.45Å; E1484-M1487 PolarHBondContact O-N 3.21Å |
| 1485 | S | 41.9 | Very low | 49.7 | Very low | 75 Ų | 75 | 70 Ų | 70 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -60.3 | -31.1 | -176 | 54.2 | 0 | 0 | 0 | 0 | 114 | S1483 | S1483-S1485 PolarHBondContact O-N 3.4Å; S1483-S1485 PolarHBondContact OG-OG 3.37Å; S1483-S1485 VanDerWaalsContact OG-OG 3.09Å |
| 1486 | N | 40.8 | Very low | 47.1 | Very low | 85 Ų | 85 | 76.3 Ų | 76.3 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -87 | -17.6 | -175 | -72.7 | 1.5 | 0 | 0 | 0 | 114.3 | S1483 E1484 | S1483-N1486 PolarHBondContact O-N 2.95Å; E1484-N1486 VanDerWaalsContact C-N 3.27Å; E1484-N1486 PolarHBondContact O-N 3.45Å |
| 1487 | M | 35.3 | Very low | 44.6 | Very low | 54 Ų | 54 | 83.3 Ų | 83.3 | 27% | 0.266 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -18.1 | -180 | -83.1 | -73.5 | -73.9 | 0 | 0 | 113.7 | Y1482 E1484 E1489 L1491 L1516 | Y1482-M1487 HydrophobicContact CE1-CG 3.72Å; Y1482-M1487 WeakPolarHBondContact OH-CG 3.39Å; Y1482-M1487 PolarHBondContact OH-SD 3.49Å; Y1482-M1487 VanDerWaalsContact OH-SD 3.37Å; E1484-M1487 PolarHBondContact O-N 3.21Å; M1487-E1489 VanDerWaalsContact C-N 3.34Å; M1487-E1489 PolarHBondContact O-N 3.3Å; M1487-L1491 HydrophobicContact CE-CD1 4.48Å; M1487-L1491 HydrophobicContact SD-CD1 4.2Å; M1487-L1516 HydrophobicContact CE-CB 4.13Å |
| 1488 | C | 33.2 | Very low | 42.1 | Very low | 74 Ų | 74 | 88.7 Ų | 88.7 | 50% | 0.5 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -18.1 | -175.2 | -75.7 | 0 | 0 | 0 | 0 | 114.2 | R1518 | C1488-R1518 PolarHBondContact SG-NH1 3.1Å; C1488-R1518 PolarHBondContact SG-NH2 3.04Å |
| 1489 | E | 33.4 | Very low | 39.8 | Very low | 176 Ų | 176 | 96 Ų | 96 | 82% | 0.822 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -12.9 | -172.2 | -70.8 | -173.1 | 161.4 | 0 | 0 | 115.1 | M1487 | M1487-E1489 VanDerWaalsContact C-N 3.34Å; M1487-E1489 PolarHBondContact O-N 3.3Å |
| 1490 | I | 35.7 | Very low | 37.7 | Very low | 111 Ų | 111 | 98.2 Ų | 98.2 | 57% | 0.569 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | -14.3 | -161.5 | -57.4 | -179.9 | 0 | 0 | 0 | 116.2 | ||
| 1491 | L | 30.3 | Very low | 35.8 | Very low | 78 Ų | 78 | 103.8 Ų | 103.8 | 41% | 0.408 | 54% | 0.54 | S | S | . | . | trans | -130.4 | 67.2 | -168.5 | -87.7 | 151.2 | 0 | 0 | 0 | 117.7 | M1487 F1494 | M1487-L1491 HydrophobicContact CE-CD1 4.48Å; M1487-L1491 HydrophobicContact SD-CD1 4.2Å; L1491-F1494 HydrophobicContact CD2-CD2 3.86Å; L1491-F1494 HydrophobicContact CD2-CE2 4.21Å | ||
| 1492 | P | 28.7 | Very low | 34.3 | Very low | 110 Ų | 110 | 109.4 Ų | 109.4 | 71% | 0.714 | 57% | 0.566 | S | S | * | * | trans | -85.8 | -4.8 | 171.9 | -10.8 | 29 | 0 | 0 | 0 | 116.7 | ||||
| 1493 | H | 31 | Very low | 32.8 | Very low | 169 Ų | 169 | 112.6 Ų | 112.6 | 78% | 0.782 | 59% | 0.587 | S | S | * | * | trans | -116.3 | 16.4 | -159.8 | -78 | -53.2 | 0 | 0 | 0 | 119.1 | ||||
| 1494 | F | 34 | Very low | 31.8 | Very low | 83 Ų | 83 | 114.8 Ų | 114.8 | 36% | 0.364 | 60% | 0.601 | S | S | . | * | trans | -125.2 | 90.2 | -179.3 | -71.3 | -90.3 | 0 | 0 | 0 | 113.9 | L1491 I1664 | L1491-F1494 HydrophobicContact CD2-CD2 3.86Å; L1491-F1494 HydrophobicContact CD2-CE2 4.21Å; F1494-I1664 HydrophobicContact CD1-CD1 4.43Å; F1494-I1664 HydrophobicContact CE1-CD1 3.15Å; F1494-I1664 HydrophobicContact CE1-CG1 4.44Å; F1494-I1664 HydrophobicContact CE2-CD1 4.42Å; F1494-I1664 HydrophobicContact CE2-CG2 3.92Å; F1494-I1664 HydrophobicContact CZ-CB 4Å; F1494-I1664 HydrophobicContact CZ-CD1 3.15Å; F1494-I1664 HydrophobicContact CZ-CG1 4.09Å; F1494-I1664 HydrophobicContact CZ-CG2 3.55Å | ||
| 1495 | T | 27 | Very low | 31 | Very low | 101 Ų | 101 | 113.9 Ų | 113.9 | 62% | 0.62 | 59% | 0.592 | S | S | * | * | trans | -136.7 | 115.3 | 169.5 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1496 | N | 29.9 | Very low | 30.4 | Very low | 144 Ų | 144 | 113 Ų | 113 | 77% | 0.77 | 59% | 0.586 | S | S | * | * | trans | -177.5 | 104.8 | 142.6 | -87.8 | -7.2 | 0 | 0 | 0 | 106.5 | ||||
| 1497 | E | 26.7 | Very low | 29.8 | Very low | 163 Ų | 163 | 114 Ų | 114 | 76% | 0.762 | 59% | 0.588 | S | S | * | * | 78.8 | 82.3 | 112.4 | -73.4 | -168.5 | 169.9 | 0 | 0 | 113 | |||||
| 1498 | L | 28 | Very low | 29.6 | Very low | 117 Ų | 117 | 116 Ų | 116 | 61% | 0.613 | 60% | 0.595 | S | S | * | * | trans | -164.7 | 143.7 | 146.1 | -115 | 121.1 | 0 | 0 | 0 | 108.8 | C1500 Q1722 | L1498-C1500 PolarHBondContact O-N 3.26Å; L1498-Q1722 VanDerWaalsContact CD1-NE2 3.34Å | ||
| 1499 | Q | 26.8 | Very low | 29.5 | Very low | 154 Ų | 154 | 114.1 Ų | 114.1 | 72% | 0.72 | 58% | 0.581 | S | S | * | * | trans | -62.5 | 111.2 | -156.2 | -69 | 168.1 | -24.6 | 0 | 0 | 114.4 | H1501 | Q1499-H1501 PolarHBondContact O-N 2.94Å; Q1499-H1501 VanDerWaalsContact O-N 3.14Å | ||
| 1500 | C | 26.1 | Very low | 29.3 | Very low | 94 Ų | 94 | 107 Ų | 107 | 64% | 0.635 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 0.9 | 179.4 | -65.7 | 0 | 0 | 0 | 0 | 115.5 | L1498 | L1498-C1500 PolarHBondContact O-N 3.26Š|
| 1501 | H | 27.9 | Very low | 28.9 | Very low | 138 Ų | 138 | 103 Ų | 103 | 64% | 0.639 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -10.4 | -173 | -93.9 | -72 | 0 | 0 | 0 | 115.7 | Q1499 | Q1499-H1501 PolarHBondContact O-N 2.94Å; Q1499-H1501 VanDerWaalsContact O-N 3.14Å |
| 1502 | Q | 28.8 | Very low | 28.9 | Very low | 142 Ų | 142 | 104.4 Ų | 104.4 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -106.3 | -7.1 | 178 | -77 | 179.4 | -45.2 | 0 | 0 | 114.2 | ||
| 1503 | I | 29.6 | Very low | 29 | Very low | 132 Ų | 132 | 103.9 Ų | 103.9 | 68% | 0.677 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -93.4 | -17.1 | -168.3 | -64.1 | 171.4 | 0 | 0 | 0 | 113 | ||
| 1504 | C | 28.2 | Very low | 29.2 | Very low | 66 Ų | 66 | 98.5 Ų | 98.5 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -97.5 | 0.3 | 178.6 | -70.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1505 | R | 28.6 | Very low | 28.9 | Very low | 125 Ų | 125 | 102.3 Ų | 102.3 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -111.9 | -4.4 | -164.4 | -84.4 | -175.5 | 173.8 | 163.1 | 0.9 | 117.4 | ||
| 1506 | S | 27.7 | Very low | 29 | Very low | 58 Ų | 58 | 101.9 Ų | 101.9 | 41% | 0.406 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -138.4 | -1.3 | -169.9 | 55.9 | 0 | 0 | 0 | 0 | 118.2 | ||
| 1507 | Q | 29.5 | Very low | 28.9 | Very low | 106 Ų | 106 | 101.2 Ų | 101.2 | 50% | 0.495 | 53% | 0.525 | S | S | . | . | trans | -148.8 | 64.7 | -170.5 | -63.7 | -174.5 | -6.3 | 0 | 0 | 115 | T1509 | Q1507-T1509 PolarHBondContact O-N 3.37Å; Q1507-T1509 VanDerWaalsContact O-N 3.13Å | ||
| 1508 | F | 30.2 | Very low | 29 | Very low | 96 Ų | 96 | 102.6 Ų | 102.6 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 19.2 | 167 | -92.5 | -90.2 | 0 | 0 | 0 | 113.8 | I1403 L1404 | I1403-F1508 HydrophobicContact CG2-CE1 4.44Å; L1404-F1508 HydrophobicContact CD1-CD2 4.15Å; L1404-F1508 HydrophobicContact CD1-CE2 4.26Å; L1404-F1508 HydrophobicContact CD1-CG 4.5Å; L1404-F1508 HydrophobicContact CD2-CD2 3.66Å; L1404-F1508 HydrophobicContact CD2-CE2 3.07Å; L1404-F1508 HydrophobicContact CD2-CZ 3.61Å; L1404-F1508 HydrophobicContact CG-CD2 4.04Å; L1404-F1508 HydrophobicContact CG-CE1 4.35Å; L1404-F1508 HydrophobicContact CG-CE2 3.64Å; L1404-F1508 HydrophobicContact CG-CZ 3.78Å |
| 1509 | T | 31.2 | Very low | 28.9 | Very low | 34 Ų | 34 | 105.8 Ų | 105.8 | 21% | 0.209 | 53% | 0.532 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -142.5 | 2.9 | -165.8 | 41.9 | 0 | 0 | 0 | 0 | 114.1 | Y1331 Q1507 | Y1331-T1509 HydrophobicContact CD1-CG2 3.22Å; Y1331-T1509 WeakPolarHBondContact CD2-O 3.47Å; Y1331-T1509 HydrophobicContact CE1-CG2 3.19Å; Y1331-T1509 WeakPolarHBondContact CE1-O 3.41Å; Y1331-T1509 WeakPolarHBondContact CE2-O 3.37Å; Y1331-T1509 HydrophobicContact CG-CG2 4.21Å; Y1331-T1509 PolarHBondContact OH-O 3.1Å; Q1507-T1509 PolarHBondContact O-N 3.37Å; Q1507-T1509 VanDerWaalsContact O-N 3.13Å |
| 1510 | S | 30.2 | Very low | 29 | Very low | 26 Ų | 26 | 108.6 Ų | 108.6 | 18% | 0.182 | 54% | 0.537 | C | S | . | . | S | Bend | trans | -155.8 | 108.2 | 166 | 54.5 | 0 | 0 | 0 | 0 | 109 | D1512 | S1510-D1512 PolarHBondContact O-N 2.93Š|
| 1511 | T | 27 | Very low | 29.1 | Very low | 27 Ų | 27 | 112.3 Ų | 112.3 | 17% | 0.166 | 55% | 0.55 | C | S | . | * | S | Bend | trans | 45 | 73.9 | 143.7 | 69.4 | 0 | 0 | 0 | 0 | 114.5 | N1611 | T1511-N1611 VanDerWaalsContact CB-OD1 3.26Å; T1511-N1611 WeakPolarHBondContact CB-OD1 3.4Å; T1511-N1611 VanDerWaalsContact CG2-CG 3.45Å; T1511-N1611 WeakPolarHBondContact CG2-OD1 3.34Å |
| 1512 | D | 29.6 | Very low | 29 | Very low | 107 Ų | 107 | 110.8 Ų | 110.8 | 57% | 0.572 | 56% | 0.555 | S | S | * | * | trans | 173.7 | 111.6 | 153.4 | -84.6 | -26.8 | 0 | 0 | 0 | 111.5 | S1510 | S1510-D1512 PolarHBondContact O-N 2.93Š| ||
| 1513 | S | 30.3 | Very low | 28.9 | Very low | 100 Ų | 100 | 114.8 Ų | 114.8 | 70% | 0.699 | 56% | 0.564 | S | S | * | * | trans | 161.5 | 149.1 | 160.6 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1514 | P | 35.2 | Very low | 28.9 | Very low | 55 Ų | 55 | 114.1 Ų | 114.1 | 36% | 0.357 | 57% | 0.566 | S | S | . | * | cis | -130.8 | 144 | 2.7 | 20.4 | 3.5 | 0 | 0 | 0 | 115.8 | ||||
| 1515 | I | 28.6 | Very low | 28.9 | Very low | 164 Ų | 164 | 115.7 Ų | 115.7 | 84% | 0.841 | 58% | 0.578 | S | S | * | * | trans | -110.7 | 115.7 | 152.4 | -69.2 | 172.7 | 0 | 0 | 0 | 107.3 | ||||
| 1516 | L | 29.5 | Very low | 28.9 | Very low | 91 Ų | 91 | 115.2 Ų | 115.2 | 48% | 0.476 | 59% | 0.594 | S | S | . | * | trans | -95 | 131.6 | 177.2 | -85.7 | 161.7 | 0 | 0 | 0 | 111.2 | K1410 M1487 | K1410-L1516 HydrophobicContact CD-CD2 4.44Å; M1487-L1516 HydrophobicContact CE-CB 4.13Å | ||
| 1517 | K | 28 | Very low | 29 | Very low | 130 Ų | 130 | 117.3 Ų | 117.3 | 57% | 0.565 | 61% | 0.608 | S | S | * | * | trans | -106.4 | 133.2 | 176.1 | -146 | 176.6 | -173.3 | -179.5 | 0 | 110.8 | ||||
| 1518 | R | 27.3 | Very low | 28.9 | Very low | 192 Ų | 192 | 117.8 Ų | 117.8 | 73% | 0.725 | 62% | 0.624 | S | S | * | * | trans | -98.7 | 142.8 | -178.3 | -162.9 | -177.6 | -164.2 | 171 | 8.3 | 111.3 | C1488 | C1488-R1518 PolarHBondContact SG-NH1 3.1Å; C1488-R1518 PolarHBondContact SG-NH2 3.04Å | ||
| 1519 | K | 27.6 | Very low | 28.8 | Very low | 184 Ų | 184 | 118.2 Ų | 118.2 | 80% | 0.8 | 64% | 0.639 | S | S | * | * | trans | -153.9 | 139.2 | 150.4 | -114.6 | -178.2 | -178.3 | -179.1 | 0 | 109.7 | ||||
| 1520 | Y | 27.7 | Very low | 28.7 | Very low | 213 Ų | 213 | 122.1 Ų | 122.1 | 84% | 0.835 | 67% | 0.667 | S | S | * | * | trans | 90 | 96 | 178.6 | -64.1 | -80.8 | 0 | 0 | 0 | 117.9 | ||||
| 1521 | L | 27.8 | Very low | 28.6 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 91% | 0.906 | 70% | 0.699 | S | S | * | * | -178.2 | 103.6 | 108.4 | -93.7 | 158.7 | 0 | 0 | 0 | 108.6 | |||||
| 1522 | S | 26.7 | Very low | 28.5 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | -102.6 | 126.5 | 158.3 | 55.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1523 | R | 26.8 | Very low | 28.5 | Very low | 225 Ų | 225 | 133.1 Ų | 133.1 | 85% | 0.849 | 74% | 0.739 | S | S | * | * | trans | 139.6 | 120.9 | 145 | -79.8 | -178.8 | 171 | 178.7 | -2.5 | 113.4 | ||||
| 1524 | T | 28.7 | Very low | 28.4 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | trans | 73.5 | 98.5 | 142.4 | 57.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1525 | S | 28.5 | Very low | 28.2 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | 73.5 | 125.8 | 73.1 | 69.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1526 | S | 28.5 | Very low | 28.6 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 66.7 | 131.7 | 168.6 | 64.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1527 | S | 29.3 | Very low | 29.3 | Very low | 101 Ų | 101 | 147.7 Ų | 147.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | cis | -169 | 124.4 | 26.8 | 37.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1528 | S | 27.8 | Very low | 30.2 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | 20.8 | 110.7 | 124.3 | 61 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1529 | S | 29.5 | Very low | 31.4 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -172.9 | 109.4 | 132 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1530 | S | 28 | Very low | 32.6 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | trans | 26.5 | 104.3 | 141.4 | 56.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1531 | I | 27.7 | Very low | 33.9 | Very low | 165 Ų | 165 | 122.3 Ų | 122.3 | 85% | 0.846 | 70% | 0.697 | S | S | * | * | trans | -131.4 | 117.5 | 145.4 | -62.6 | 179.2 | 0 | 0 | 0 | 107.5 | ||||
| 1532 | S | 25.2 | Very low | 35.2 | Very low | 119 Ų | 119 | 117 Ų | 117 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | trans | -81.9 | 119.2 | 175.1 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1533 | S | 29.5 | Very low | 36.7 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | trans | -151.9 | 146.8 | 158 | 60.8 | 0 | 0 | 0 | 0 | 109.7 | R1535 | S1533-R1535 PolarHBondContact O-N 2.98Š| ||
| 1534 | S | 29.4 | Very low | 38.4 | Very low | 116 Ų | 116 | 114.1 Ų | 114.1 | 81% | 0.811 | 65% | 0.65 | S | S | * | * | trans | -51.3 | 116.5 | -167.5 | 46.1 | 0 | 0 | 0 | 0 | 115 | T1536 | S1534-T1536 PolarHBondContact O-N 3.28Š| ||
| 1535 | R | 31 | Very low | 40.1 | Very low | 243 Ų | 243 | 109.1 Ų | 109.1 | 92% | 0.917 | 62% | 0.619 | S | S | * | * | trans | -69.4 | 103.6 | 171.4 | -85.9 | 178.5 | 169.5 | 174.3 | -4.1 | 111.6 | S1533 R1537 | S1533-R1535 PolarHBondContact O-N 2.98Å; R1535-R1537 PolarHBondContact O-N 3.43Å | ||
| 1536 | T | 37 | Very low | 41.9 | Very low | 135 Ų | 135 | 105.8 Ų | 105.8 | 83% | 0.828 | 59% | 0.594 | S | S | * | * | trans | -64.3 | 115.3 | 152.9 | 33.5 | 0 | 0 | 0 | 0 | 108.3 | S1534 S1538 | S1534-T1536 PolarHBondContact O-N 3.28Å; T1536-S1538 PolarHBondContact O-N 3.47Å | ||
| 1537 | R | 43.1 | Very low | 43.8 | Very low | 223 Ų | 223 | 109.5 Ų | 109.5 | 84% | 0.842 | 59% | 0.59 | S | S | * | * | trans | -67.5 | 113.6 | 173.1 | -73.4 | -179.8 | -177.9 | 168.7 | 0.8 | 108.1 | R1535 I1539 | R1535-R1537 PolarHBondContact O-N 3.43Å; R1537-I1539 PolarHBondContact O-N 3.38Å | ||
| 1538 | S | 47.4 | Very low | 45.6 | Very low | 27 Ų | 27 | 105 Ų | 105 | 19% | 0.189 | 56% | 0.558 | C | S | . | * | trans | -65.7 | 130.6 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 110.1 | N1432 T1536 L1540 D1541 | N1432-S1538 PolarHBondContact ND2-OG 3.5Å; N1432-S1538 PolarHBondContact OD1-OG 3.42Å; T1536-S1538 PolarHBondContact O-N 3.47Å; S1538-L1540 PolarHBondContact O-N 3.12Å; S1538-L1540 PolarHBondContact OG-N 2.84Å; S1538-D1541 PolarHBondContact O-N 2.95Å | ||
| 1539 | I | 53 | Low | 48 | Very low | 71 Ų | 71 | 99.7 Ų | 99.7 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.9 | 178.3 | -75.9 | 170.8 | 0 | 0 | 0 | 111.1 | N1432 W1435 R1537 Y1548 | N1432-I1539 PolarHBondContact OD1-N 3.35Å; W1435-I1539 VanDerWaalsContact CD1-CG2 3.45Å; W1435-I1539 HydrophobicContact CG-CG2 4.16Å; R1537-I1539 PolarHBondContact O-N 3.38Å; I1539-Y1548 HydrophobicContact CG2-CE1 4.41Å; I1539-Y1548 HydrophobicContact CG2-CE2 4.41Å; I1539-Y1548 WeakPolarHBondContact CG2-OH 3.46Å; I1539-Y1548 WeakPolarHBondContact O-CE2 3.38Å; I1539-Y1548 VanDerWaalsContact O-CZ 3.3Å; I1539-Y1548 PolarHBondContact O-OH 3Å |
| 1540 | L | 52.7 | Low | 50.5 | Low | 17 Ų | 17 | 97.6 Ų | 97.6 | 9% | 0.089 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 24.9 | -174.9 | -61.6 | 169.8 | 0 | 0 | 0 | 114.8 | N1432 W1435 M1481 S1538 | N1432-L1540 HydrophobicContact CB-CD1 4.41Å; N1432-L1540 VanDerWaalsContact N-CD1 3.28Å; N1432-L1540 WeakPolarHBondContact OD1-CD1 3.24Å; N1432-L1540 WeakPolarHBondContact OD1-CG 3.44Å; N1432-L1540 PolarHBondContact OD1-N 3.12Å; W1435-L1540 HydrophobicContact CD2-CD2 4.15Å; W1435-L1540 HydrophobicContact CE3-CD2 4.17Å; W1435-L1540 HydrophobicContact CG-CD2 4.37Å; M1481-L1540 HydrophobicContact CG-CD1 4.42Å; M1481-L1540 HydrophobicContact CG-CD2 4.19Å; M1481-L1540 HydrophobicContact SD-CB 4.49Å; M1481-L1540 HydrophobicContact SD-CD2 3.64Å; S1538-L1540 PolarHBondContact O-N 3.12Å; S1538-L1540 PolarHBondContact OG-N 2.84Å |
| 1541 | D | 55 | Low | 53.2 | Low | 71 Ų | 71 | 96.1 Ų | 96.1 | 38% | 0.38 | 48% | 0.48 | S | S | . | . | trans | -63.1 | 139.1 | 174.8 | -130.8 | -7.8 | 0 | 0 | 0 | 110.9 | R1428 S1538 K1543 Y1544 | R1428-D1541 IonicContact NH1-OD1 4Å; S1538-D1541 PolarHBondContact O-N 2.95Å; D1541-K1543 PolarHBondContact O-N 3.12Å; D1541-Y1544 HydrophobicContact CB-CD2 3.8Å; D1541-Y1544 HydrophobicContact CB-CE2 4.08Å; D1541-Y1544 PolarHBondContact O-N 3.01Å | ||
| 1542 | V | 54.4 | Low | 56 | Low | 60 Ų | 60 | 88.3 Ų | 88.3 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -50.1 | -33.1 | -172.1 | 176.7 | 0 | 0 | 0 | 0 | 113 | Y1544 L1545 | V1542-Y1544 PolarHBondContact O-N 3.16Å; V1542-Y1544 VanDerWaalsContact O-N 3.16Å; V1542-L1545 HydrophobicContact CB-CD1 4.21Å; V1542-L1545 HydrophobicContact CG1-CD1 3.81Å; V1542-L1545 WeakPolarHBondContact O-CB 2.92Å; V1542-L1545 VanDerWaalsContact O-CG 3.31Å; V1542-L1545 WeakPolarHBondContact O-CG 3.37Å; V1542-L1545 PolarHBondContact O-N 2.81Å |
| 1543 | K | 58.8 | Low | 59 | Low | 184 Ų | 184 | 82.8 Ų | 82.8 | 80% | 0.8 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -61.1 | -20.8 | 177.5 | -81.1 | -173.1 | 173.4 | -177.3 | 0 | 114.7 | D1541 | D1541-K1543 PolarHBondContact O-N 3.12Š|
| 1544 | Y | 62.1 | Low | 61.8 | Low | 87 Ų | 87 | 80.6 Ų | 80.6 | 34% | 0.341 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -103 | -5.5 | -176.7 | -59.6 | -78.2 | 0 | 0 | 0 | 112.9 | D1541 V1542 T1546 W1547 Y1548 | D1541-Y1544 HydrophobicContact CB-CD2 3.8Å; D1541-Y1544 HydrophobicContact CB-CE2 4.08Å; D1541-Y1544 PolarHBondContact O-N 3.01Å; V1542-Y1544 PolarHBondContact O-N 3.16Å; V1542-Y1544 VanDerWaalsContact O-N 3.16Å; Y1544-T1546 VanDerWaalsContact C-N 3.25Å; Y1544-T1546 PolarHBondContact O-N 2.99Å; Y1544-W1547 WeakPolarHBondContact O-CB 3.48Å; Y1544-W1547 PolarHBondContact O-N 3.09Å; Y1544-Y1548 HydrophobicContact CG-CE2 4.23Å; Y1544-Y1548 WeakPolarHBondContact O-CD2 3.36Å; Y1544-Y1548 PolarHBondContact O-N 3.26Å; Y1544-Y1548 VanDerWaalsContact O-N 3.11Å |
| 1545 | L | 64 | Low | 64.7 | Low | 15 Ų | 15 | 75.4 Ų | 75.4 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -50.9 | -45.6 | 179.4 | -71.8 | 173.3 | 0 | 0 | 0 | 112.3 | M1481 V1542 W1547 Y1548 F1549 | M1481-L1545 HydrophobicContact CE-CD2 3.04Å; M1481-L1545 HydrophobicContact SD-CD2 3.35Å; M1481-L1545 WeakPolarHBondContact SD-CD2 3.43Å; V1542-L1545 HydrophobicContact CB-CD1 4.21Å; V1542-L1545 HydrophobicContact CG1-CD1 3.81Å; V1542-L1545 WeakPolarHBondContact O-CB 2.92Å; V1542-L1545 VanDerWaalsContact O-CG 3.31Å; V1542-L1545 WeakPolarHBondContact O-CG 3.37Å; V1542-L1545 PolarHBondContact O-N 2.81Å; L1545-W1547 VanDerWaalsContact C-N 3.29Å; L1545-W1547 PolarHBondContact O-N 3.15Å; L1545-Y1548 PolarHBondContact O-N 3.16Å; L1545-F1549 HydrophobicContact CD2-CD2 4.31Å; L1545-F1549 HydrophobicContact CD2-CE2 4.25Å; L1545-F1549 WeakPolarHBondContact O-CD2 3.38Å; L1545-F1549 PolarHBondContact O-N 3.4Å |
| 1546 | T | 66.8 | Low | 67.5 | Low | 27 Ų | 27 | 63.8 Ų | 63.8 | 17% | 0.166 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.8 | -40.3 | -179.3 | -40.6 | 0 | 0 | 0 | 0 | 111.1 | Y1544 D1550 E1584 L1585 | Y1544-T1546 VanDerWaalsContact C-N 3.25Å; Y1544-T1546 PolarHBondContact O-N 2.99Å; T1546-D1550 WeakPolarHBondContact O-CB 3.39Å; T1546-D1550 PolarHBondContact O-N 3.05Å; T1546-E1584 WeakPolarHBondContact CB-OE2 2.82Å; T1546-E1584 HydrophobicContact CG2-CB 3.96Å; T1546-E1584 PolarHBondContact OG1-OE2 2.85Å; T1546-L1585 HydrophobicContact CG2-CD2 3.92Å; T1546-L1585 HydrophobicContact CG2-CG 4.2Å |
| 1547 | W | 66.9 | Low | 70.1 | Confident | 195 Ų | 195 | 58.7 Ų | 58.7 | 74% | 0.739 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -71.8 | -31.6 | 179.8 | -79.7 | 46 | 0 | 0 | 0 | 113.2 | Y1544 L1545 | Y1544-W1547 WeakPolarHBondContact O-CB 3.48Å; Y1544-W1547 PolarHBondContact O-N 3.09Å; L1545-W1547 VanDerWaalsContact C-N 3.29Å; L1545-W1547 PolarHBondContact O-N 3.15Å |
| 1548 | Y | 69 | Low | 72.4 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -85.1 | -36.1 | -177.3 | -69.1 | -53.1 | 0 | 0 | 0 | 114 | W1435 V1449 T1451 I1539 Y1544 L1545 P1552 | W1435-Y1548 AromaticContact CE2-CD1 3.83Å; W1435-Y1548 HydrophobicContact CH2-CD1 4.21Å; W1435-Y1548 HydrophobicContact CH2-CG 4.06Å; W1435-Y1548 AromaticContact CZ2-CD1 3.25Å; W1435-Y1548 HydrophobicContact CZ2-CD1 3.25Å; W1435-Y1548 HydrophobicContact CZ2-CD2 4.41Å; W1435-Y1548 AromaticContact CZ2-CE1 3.96Å; W1435-Y1548 HydrophobicContact CZ2-CE1 3.96Å; W1435-Y1548 AromaticContact CZ2-CG 3.5Å; W1435-Y1548 HydrophobicContact CZ2-CG 3.5Å; W1435-Y1548 AromaticContact NE1-CD1 4Å; W1435-Y1548 AromaticContact NE1-CE1 3.77Å; V1449-Y1548 HydrophobicContact CG1-CD1 4.33Å; V1449-Y1548 HydrophobicContact CG1-CE1 3.26Å; V1449-Y1548 VanDerWaalsContact CG1-CZ 3.45Å; V1449-Y1548 WeakPolarHBondContact CG1-OH 3.45Å; T1451-Y1548 VanDerWaalsContact CG2-O 3.25Å; T1451-Y1548 WeakPolarHBondContact CG2-O 3.43Å; I1539-Y1548 HydrophobicContact CG2-CE1 4.41Å; I1539-Y1548 HydrophobicContact CG2-CE2 4.41Å; I1539-Y1548 WeakPolarHBondContact CG2-OH 3.46Å; I1539-Y1548 WeakPolarHBondContact O-CE2 3.38Å; I1539-Y1548 VanDerWaalsContact O-CZ 3.3Å; I1539-Y1548 PolarHBondContact O-OH 3Å; Y1544-Y1548 HydrophobicContact CG-CE2 4.23Å; Y1544-Y1548 WeakPolarHBondContact O-CD2 3.36Å; Y1544-Y1548 PolarHBondContact O-N 3.26Å; Y1544-Y1548 VanDerWaalsContact O-N 3.11Å; L1545-Y1548 PolarHBondContact O-N 3.16Å; Y1548-P1552 WeakPolarHBondContact O-CD 3.47Å |
| 1549 | F | 78.3 | Confident | 74.6 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 2% | 0.022 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -104.7 | -11.6 | -170.1 | -70.3 | -88.7 | 0 | 0 | 0 | 114.4 | W1435 L1474 M1478 M1481 L1545 K1551 P1552 L1553 L1585 | W1435-F1549 HydrophobicContact CH2-CE2 4.07Å; W1435-F1549 HydrophobicContact CH2-CZ 4.01Å; W1435-F1549 HydrophobicContact CZ3-CE1 4.28Å; W1435-F1549 HydrophobicContact CZ3-CE2 4.05Å; W1435-F1549 AromaticContact CZ3-CZ 3.61Å; W1435-F1549 HydrophobicContact CZ3-CZ 3.61Å; L1474-F1549 HydrophobicContact CD1-CD1 3.8Å; L1474-F1549 HydrophobicContact CD1-CE1 3.49Å; L1474-F1549 VanDerWaalsContact CD1-CE1 3.49Å; M1478-F1549 HydrophobicContact CG-CD1 3.76Å; M1478-F1549 HydrophobicContact CG-CE1 3.27Å; M1478-F1549 HydrophobicContact CG-CZ 3.94Å; M1478-F1549 HydrophobicContact SD-CD1 3.86Å; M1478-F1549 HydrophobicContact SD-CE1 4.03Å; M1481-F1549 HydrophobicContact CE-CD2 3.81Å; M1481-F1549 HydrophobicContact CE-CE1 4.13Å; M1481-F1549 HydrophobicContact CE-CE2 3.08Å; M1481-F1549 HydrophobicContact CE-CZ 3.25Å; M1481-F1549 HydrophobicContact SD-CE2 3.45Å; M1481-F1549 WeakPolarHBondContact SD-CE2 3.33Å; M1481-F1549 HydrophobicContact SD-CZ 3.73Å; L1545-F1549 HydrophobicContact CD2-CD2 4.31Å; L1545-F1549 HydrophobicContact CD2-CE2 4.25Å; L1545-F1549 WeakPolarHBondContact O-CD2 3.38Å; L1545-F1549 PolarHBondContact O-N 3.4Å; F1549-K1551 PolarHBondContact O-N 3.32Å; F1549-P1552 WeakPolarHBondContact O-CD 3.44Å; F1549-L1553 WeakPolarHBondContact O-CB 3.4Å; F1549-L1553 PolarHBondContact O-N 2.9Å; F1549-L1585 HydrophobicContact CB-CD1 3.87Å |
| 1550 | D | 80.3 | Confident | 76.5 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 33% | 0.326 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.1 | -50.3 | 178.5 | 179.1 | 63.5 | 0 | 0 | 0 | 112.6 | T1546 L1553 N1554 L1585 N1588 | T1546-D1550 WeakPolarHBondContact O-CB 3.39Å; T1546-D1550 PolarHBondContact O-N 3.05Å; D1550-L1553 PolarHBondContact O-N 3.32Å; D1550-N1554 PolarHBondContact O-N 3.18Å; D1550-N1554 PolarHBondContact O-ND2 2.89Å; D1550-N1554 PolarHBondContact OD1-ND2 2.8Å; D1550-L1585 HydrophobicContact CB-CD2 3.97Å; D1550-N1588 PolarHBondContact OD1-ND2 3.42Å |
| 1551 | K | 84.6 | Confident | 78.4 | Confident | 84 Ų | 84 | 57 Ų | 57 | 37% | 0.365 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.2 | -50.1 | 179.3 | -176.1 | 172.4 | 177.6 | -168.7 | 0 | 113.1 | I1456 F1549 L1553 N1554 I1555 | I1456-K1551 HydrophobicContact CD1-CD 3.66Å; I1456-K1551 HydrophobicContact CD1-CG 4.13Å; F1549-K1551 PolarHBondContact O-N 3.32Å; K1551-L1553 VanDerWaalsContact C-N 3.32Å; K1551-L1553 PolarHBondContact O-N 3.12Å; K1551-N1554 PolarHBondContact O-N 3.37Å; K1551-I1555 HydrophobicContact CG-CD1 4.31Å; K1551-I1555 WeakPolarHBondContact O-CD1 3.45Å; K1551-I1555 WeakPolarHBondContact O-CG1 2.9Å; K1551-I1555 PolarHBondContact O-N 3.29Å |
| 1552 | P | 86.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.9 | -41.8 | 172.1 | -26.8 | 33.6 | 0 | 0 | 0 | 114.1 | T1451 I1459 L1474 Y1548 F1549 I1555 C1556 | T1451-P1552 HydrophobicContact CG2-CG 4.48Å; I1459-P1552 HydrophobicContact CD1-CB 4.05Å; L1474-P1552 HydrophobicContact CD1-CB 4.15Å; L1474-P1552 HydrophobicContact CD2-CB 3.71Å; Y1548-P1552 WeakPolarHBondContact O-CD 3.47Å; F1549-P1552 WeakPolarHBondContact O-CD 3.44Å; P1552-I1555 WeakPolarHBondContact O-CB 3.5Å; P1552-I1555 PolarHBondContact O-N 3.26Å; P1552-C1556 PolarHBondContact O-N 2.96Å; P1552-C1556 PolarHBondContact O-SG 3.48Å; P1552-C1556 VanDerWaalsContact O-SG 3.32Å |
| 1553 | L | 88 | Confident | 81.7 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 178 | 176 | 63.7 | 0 | 0 | 0 | 111.8 | F1549 D1550 K1551 I1555 C1556 I1557 I1575 V1578 L1585 N1588 I1589 | F1549-L1553 WeakPolarHBondContact O-CB 3.4Å; F1549-L1553 PolarHBondContact O-N 2.9Å; D1550-L1553 PolarHBondContact O-N 3.32Å; K1551-L1553 VanDerWaalsContact C-N 3.32Å; K1551-L1553 PolarHBondContact O-N 3.12Å; L1553-I1555 PolarHBondContact O-N 2.88Å; L1553-C1556 WeakPolarHBondContact O-CB 3.5Å; L1553-C1556 PolarHBondContact O-N 3.39Å; L1553-C1556 VanDerWaalsContact O-N 3.11Å; L1553-I1557 HydrophobicContact CG-CD1 4.23Å; L1553-I1557 WeakPolarHBondContact O-CG1 3.37Å; L1553-I1557 PolarHBondContact O-N 3.49Å; L1553-I1575 HydrophobicContact CD1-CG1 3.96Å; L1553-V1578 HydrophobicContact CD1-CB 4.31Å; L1553-V1578 HydrophobicContact CD1-CG1 4.32Å; L1553-V1578 HydrophobicContact CD1-CG2 4.14Å; L1553-V1578 HydrophobicContact CD2-CG1 3.93Å; L1553-L1585 HydrophobicContact CD2-CB 4.06Å; L1553-L1585 HydrophobicContact CD2-CD2 4.22Å; L1553-N1588 HydrophobicContact CD2-CB 4.11Å; L1553-I1589 HydrophobicContact CD1-CD1 4.36Å; L1553-I1589 HydrophobicContact CD1-CG1 4.28Å; L1553-I1589 HydrophobicContact CD2-CG1 4.35Å |
| 1554 | N | 88.7 | Confident | 83 | Confident | 61 Ų | 61 | 52.7 Ų | 52.7 | 33% | 0.326 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.8 | -32 | 177.1 | -76.1 | -43 | 0 | 0 | 0 | 112.3 | D1550 K1551 K1558 | D1550-N1554 PolarHBondContact O-N 3.18Å; D1550-N1554 PolarHBondContact O-ND2 2.89Å; D1550-N1554 PolarHBondContact OD1-ND2 2.8Å; K1551-N1554 PolarHBondContact O-N 3.37Å; N1554-K1558 WeakPolarHBondContact O-CG 3.38Å; N1554-K1558 PolarHBondContact O-N 3.09Å |
| 1555 | I | 90.4 | Very high | 84.2 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.4 | -43.6 | 173.6 | -62.5 | 155.1 | 0 | 0 | 0 | 110.7 | I1456 I1459 E1460 K1551 P1552 L1553 I1557 K1558 H1559 | I1456-I1555 HydrophobicContact CG2-CD1 3.97Å; I1459-I1555 HydrophobicContact CB-CG2 4.32Å; I1459-I1555 HydrophobicContact CD1-CB 4.05Å; I1459-I1555 HydrophobicContact CD1-CD1 3.72Å; I1459-I1555 HydrophobicContact CD1-CG2 4.02Å; I1459-I1555 HydrophobicContact CG1-CB 4.46Å; I1459-I1555 HydrophobicContact CG1-CD1 4.04Å; I1459-I1555 HydrophobicContact CG1-CG2 3.92Å; E1460-I1555 HydrophobicContact CG-CD1 3.58Å; E1460-I1555 HydrophobicContact CG-CG1 3.87Å; E1460-I1555 HydrophobicContact CG-CG2 3.91Å; E1460-I1555 VanDerWaalsContact OE1-CD1 3.31Å; E1460-I1555 WeakPolarHBondContact OE1-CD1 3.16Å; E1460-I1555 WeakPolarHBondContact OE1-CG1 3.43Å; K1551-I1555 HydrophobicContact CG-CD1 4.31Å; K1551-I1555 WeakPolarHBondContact O-CD1 3.45Å; K1551-I1555 WeakPolarHBondContact O-CG1 2.9Å; K1551-I1555 PolarHBondContact O-N 3.29Å; P1552-I1555 WeakPolarHBondContact O-CB 3.5Å; P1552-I1555 PolarHBondContact O-N 3.26Å; L1553-I1555 PolarHBondContact O-N 2.88Å; I1555-I1557 VanDerWaalsContact C-N 3.27Å; I1555-I1557 PolarHBondContact O-N 2.89Å; I1555-K1558 WeakPolarHBondContact O-CB 3.36Å; I1555-K1558 PolarHBondContact O-N 3.13Å; I1555-K1558 VanDerWaalsContact O-N 3.09Å; I1555-H1559 PolarHBondContact O-CD2 3.43Å; I1555-H1559 PolarHBondContact O-N 2.99Å |
| 1556 | C | 90.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.4 | -38.5 | 174 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | L1471 P1552 L1553 K1558 H1559 L1560 A1571 I1574 I1575 | L1471-C1556 VanDerWaalsContact CD2-SG 3.53Å; P1552-C1556 PolarHBondContact O-N 2.96Å; P1552-C1556 PolarHBondContact O-SG 3.48Å; P1552-C1556 VanDerWaalsContact O-SG 3.32Å; L1553-C1556 WeakPolarHBondContact O-CB 3.5Å; L1553-C1556 PolarHBondContact O-N 3.39Å; L1553-C1556 VanDerWaalsContact O-N 3.11Å; C1556-K1558 VanDerWaalsContact C-N 3.34Å; C1556-K1558 PolarHBondContact O-N 3.22Å; C1556-H1559 WeakPolarHBondContact O-CB 3.44Å; C1556-H1559 PolarHBondContact O-N 3.45Å; C1556-H1559 VanDerWaalsContact O-N 3.17Å; C1556-L1560 PolarHBondContact O-N 3.03Å; C1556-A1571 HydrophobicContact CB-CB 4.39Å; C1556-A1571 WeakPolarHBondContact O-CB 3.4Å; C1556-I1574 HydrophobicContact CB-CG2 4.46Å; C1556-I1575 HydrophobicContact CB-CG1 4.32Å |
| 1557 | I | 91.6 | Very high | 86.1 | Confident | 27 Ų | 27 | 48.7 Ų | 48.7 | 14% | 0.138 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 174.8 | -70.6 | 168.5 | 0 | 0 | 0 | 111.2 | L1553 I1555 H1559 L1560 I1575 N1588 A1592 | L1553-I1557 HydrophobicContact CG-CD1 4.23Å; L1553-I1557 WeakPolarHBondContact O-CG1 3.37Å; L1553-I1557 PolarHBondContact O-N 3.49Å; I1555-I1557 VanDerWaalsContact C-N 3.27Å; I1555-I1557 PolarHBondContact O-N 2.89Å; I1557-H1559 VanDerWaalsContact C-N 3.33Å; I1557-L1560 WeakPolarHBondContact O-CB 3.33Å; I1557-L1560 WeakPolarHBondContact O-CG 3.35Å; I1557-L1560 PolarHBondContact O-N 3.34Å; I1557-I1575 HydrophobicContact CG1-CD1 4.08Å; I1557-N1588 WeakPolarHBondContact CD1-O 2.79Å; I1557-A1592 HydrophobicContact CB-CB 4.5Å; I1557-A1592 HydrophobicContact CG1-CB 4.11Å; I1557-A1592 HydrophobicContact CG2-CB 3.78Å |
| 1558 | K | 91.6 | Very high | 87.2 | Confident | 144 Ų | 144 | 40.6 Ų | 40.6 | 63% | 0.626 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -64 | -38.8 | 174.5 | -67.3 | 173.9 | -176.1 | 176.2 | 0 | 111.7 | N1554 I1555 C1556 L1560 Q1561 | N1554-K1558 WeakPolarHBondContact O-CG 3.38Å; N1554-K1558 PolarHBondContact O-N 3.09Å; I1555-K1558 WeakPolarHBondContact O-CB 3.36Å; I1555-K1558 PolarHBondContact O-N 3.13Å; I1555-K1558 VanDerWaalsContact O-N 3.09Å; C1556-K1558 VanDerWaalsContact C-N 3.34Å; C1556-K1558 PolarHBondContact O-N 3.22Å; K1558-L1560 PolarHBondContact O-N 2.92Å; K1558-Q1561 PolarHBondContact O-N 3.33Å |
| 1559 | H | 93.6 | Very high | 88.1 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 10% | 0.097 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.8 | -14.5 | 179.9 | -79.9 | -39.9 | 0 | 0 | 0 | 115.2 | I1459 I1555 C1556 I1557 Q1561 H1562 I1567 A1571 | I1459-H1559 PolarHBondContact O-CE1 2.66Å; I1459-H1559 PolarHBondContact O-NE2 3.49Å; I1555-H1559 PolarHBondContact O-CD2 3.43Å; I1555-H1559 PolarHBondContact O-N 2.99Å; C1556-H1559 WeakPolarHBondContact O-CB 3.44Å; C1556-H1559 PolarHBondContact O-N 3.45Å; C1556-H1559 VanDerWaalsContact O-N 3.17Å; I1557-H1559 VanDerWaalsContact C-N 3.33Å; H1559-Q1561 PolarHBondContact O-N 3.18Å; H1559-Q1561 VanDerWaalsContact O-N 3.13Å; H1559-H1562 WeakPolarHBondContact O-CB 3.45Å; H1559-H1562 PolarHBondContact O-N 3.24Å; H1559-I1567 HydrophobicContact CB-CG2 3.7Å; H1559-A1571 HydrophobicContact CB-CB 4.03Å |
| 1560 | L | 92.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.8 | 168.6 | -62.2 | 179.4 | 0 | 0 | 0 | 113.1 | C1556 I1557 K1558 R1568 A1571 L1572 I1575 A1592 R1595 I1596 L1599 | C1556-L1560 PolarHBondContact O-N 3.03Å; I1557-L1560 WeakPolarHBondContact O-CB 3.33Å; I1557-L1560 WeakPolarHBondContact O-CG 3.35Å; I1557-L1560 PolarHBondContact O-N 3.34Å; K1558-L1560 PolarHBondContact O-N 2.92Å; L1560-R1568 WeakPolarHBondContact O-CD 3.35Å; L1560-A1571 HydrophobicContact CD2-CB 3.98Å; L1560-L1572 HydrophobicContact CD2-CD2 3.61Å; L1560-L1572 HydrophobicContact CD2-CG 3.68Å; L1560-I1575 HydrophobicContact CD1-CD1 3.79Å; L1560-I1575 HydrophobicContact CD2-CD1 4.01Å; L1560-I1575 HydrophobicContact CG-CD1 4.01Å; L1560-A1592 HydrophobicContact CD1-CB 3.99Å; L1560-R1595 HydrophobicContact CB-CG 3.87Å; L1560-R1595 PolarHBondContact O-NE 2.87Å; L1560-I1596 HydrophobicContact CD1-CD1 4.36Å; L1560-I1596 HydrophobicContact CD1-CG1 3.74Å; L1560-L1599 HydrophobicContact CB-CD1 4.07Å; L1560-L1599 HydrophobicContact CD2-CD1 3.94Å |
| 1561 | Q | 91.7 | Very high | 89 | Confident | 138 Ų | 138 | 39.5 Ų | 39.5 | 65% | 0.645 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -0.7 | 175.2 | -63.7 | -178.7 | -4.4 | 0 | 0 | 113.6 | K1558 H1559 R1595 | K1558-Q1561 PolarHBondContact O-N 3.33Å; H1559-Q1561 PolarHBondContact O-N 3.18Å; H1559-Q1561 VanDerWaalsContact O-N 3.13Å; Q1561-R1595 HydrophobicContact CG-CG 4.44Å |
| 1562 | H | 90.8 | Very high | 89.2 | Confident | 51 Ų | 51 | 35.6 Ų | 35.6 | 24% | 0.236 | 18% | 0.176 | C | C | . | . | trans | -68.3 | 145.1 | -175.7 | -165.3 | -81.1 | 0 | 0 | 0 | 112.1 | H1559 C1564 I1567 R1568 | H1559-H1562 WeakPolarHBondContact O-CB 3.45Å; H1559-H1562 PolarHBondContact O-N 3.24Å; H1562-C1564 WeakPolarHBondContact ND1-CB 3.43Å; H1562-C1564 PolarHBondContact ND1-N 3.33Å; H1562-C1564 PolarHBondContact O-N 3.19Å; H1562-I1567 HydrophobicContact CB-CB 4.36Å; H1562-I1567 HydrophobicContact CB-CG2 3.78Å; H1562-I1567 WeakPolarHBondContact CE1-CD1 3.5Å; H1562-R1568 WeakPolarHBondContact O-CD 3.49Å; H1562-R1568 PolarHBondContact O-NH1 3.08Å | ||
| 1563 | N | 87.7 | Confident | 89.1 | Confident | 157 Ų | 157 | 38 Ų | 38 | 84% | 0.84 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -66.5 | -34.1 | -177.3 | -69.2 | -24.3 | 0 | 0 | 0 | 113.4 | R1568 | N1563-R1568 VanDerWaalsContact C-NH1 3.29Å; N1563-R1568 PolarHBondContact O-NH1 3.45Å |
| 1564 | C | 87.1 | Confident | 89.1 | Confident | 16 Ų | 16 | 38 Ų | 38 | 11% | 0.108 | 19% | 0.188 | C | C | . | . | trans | -72 | 122.7 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 112.6 | V1464 H1562 V1566 I1567 R1568 | V1464-C1564 HydrophobicContact CG1-CB 4.07Å; H1562-C1564 WeakPolarHBondContact ND1-CB 3.43Å; H1562-C1564 PolarHBondContact ND1-N 3.33Å; H1562-C1564 PolarHBondContact O-N 3.19Å; C1564-V1566 VanDerWaalsContact C-N 3.3Å; C1564-V1566 PolarHBondContact O-N 3.44Å; C1564-I1567 HydrophobicContact CB-CB 4.33Å; C1564-I1567 HydrophobicContact CB-CD1 4.06Å; C1564-I1567 HydrophobicContact CB-CG1 4.26Å; C1564-I1567 PolarHBondContact O-N 3.17Å; C1564-R1568 PolarHBondContact O-N 2.93Å | ||
| 1565 | S | 86.1 | Confident | 89.1 | Confident | 39 Ų | 39 | 35.1 Ų | 35.1 | 27% | 0.273 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.3 | -29 | 178.4 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | R1568 Q1569 V1608 | S1565-R1568 PolarHBondContact O-N 3.48Å; S1565-Q1569 WeakPolarHBondContact O-CG 3.47Å; S1565-Q1569 PolarHBondContact O-N 2.83Å; S1565-Q1569 PolarHBondContact O-NE2 3.04Å; S1565-Q1569 VanDerWaalsContact O-NE2 3.14Å; S1565-V1608 WeakPolarHBondContact O-CG2 3.45Å |
| 1566 | V | 83.1 | Confident | 88.8 | Confident | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.9 | -41.2 | 179.1 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | I1327 L1330 V1468 C1564 R1568 Q1569 Y1570 | I1327-V1566 HydrophobicContact CB-CG2 4.02Å; I1327-V1566 HydrophobicContact CG2-CG2 3.77Å; L1330-V1566 HydrophobicContact CD1-CG1 3.94Å; L1330-V1566 HydrophobicContact CD1-CG2 4.18Å; V1468-V1566 HydrophobicContact CG1-CG1 3.95Å; V1468-V1566 HydrophobicContact CG2-CB 4.36Å; V1468-V1566 HydrophobicContact CG2-CG1 3.91Å; C1564-V1566 VanDerWaalsContact C-N 3.3Å; C1564-V1566 PolarHBondContact O-N 3.44Å; V1566-R1568 VanDerWaalsContact C-N 3.32Å; V1566-R1568 PolarHBondContact O-N 3.01Å; V1566-Q1569 WeakPolarHBondContact O-CB 3.33Å; V1566-Q1569 PolarHBondContact O-N 3.36Å; V1566-Y1570 HydrophobicContact CG1-CD2 4.01Å; V1566-Y1570 HydrophobicContact CG1-CE2 3.99Å; V1566-Y1570 WeakPolarHBondContact O-CD2 3.41Å; V1566-Y1570 PolarHBondContact O-N 3.41Å; V1566-Y1570 VanDerWaalsContact O-N 3.08Å |
| 1567 | I | 87.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 174.6 | -72.3 | 172.5 | 0 | 0 | 0 | 110.3 | V1464 I1467 V1468 L1471 H1559 H1562 C1564 Q1569 Y1570 A1571 | V1464-I1567 HydrophobicContact CB-CD1 4.31Å; V1464-I1567 HydrophobicContact CG1-CD1 3.79Å; V1464-I1567 HydrophobicContact CG1-CG1 4.44Å; V1464-I1567 HydrophobicContact CG2-CD1 4.39Å; I1467-I1567 HydrophobicContact CB-CD1 3.93Å; I1467-I1567 HydrophobicContact CB-CG1 4.38Å; I1467-I1567 HydrophobicContact CD1-CD1 3.85Å; I1467-I1567 HydrophobicContact CG2-CD1 3.82Å; I1467-I1567 HydrophobicContact CG2-CG1 3.97Å; I1467-I1567 HydrophobicContact CG2-CG2 4.23Å; V1468-I1567 HydrophobicContact CG2-CD1 4.46Å; V1468-I1567 HydrophobicContact CG2-CG1 3.67Å; L1471-I1567 HydrophobicContact CD1-CG2 4.11Å; H1559-I1567 HydrophobicContact CB-CG2 3.7Å; H1562-I1567 HydrophobicContact CB-CB 4.36Å; H1562-I1567 HydrophobicContact CB-CG2 3.78Å; H1562-I1567 WeakPolarHBondContact CE1-CD1 3.5Å; C1564-I1567 HydrophobicContact CB-CB 4.33Å; C1564-I1567 HydrophobicContact CB-CD1 4.06Å; C1564-I1567 HydrophobicContact CB-CG1 4.26Å; C1564-I1567 PolarHBondContact O-N 3.17Å; I1567-Q1569 VanDerWaalsContact C-N 3.34Å; I1567-Q1569 PolarHBondContact O-N 3.46Å; I1567-Y1570 PolarHBondContact O-N 2.87Å; I1567-A1571 WeakPolarHBondContact O-CB 3.19Å; I1567-A1571 PolarHBondContact O-N 3.06Å |
| 1568 | R | 91.8 | Very high | 87.9 | Confident | 24 Ų | 24 | 34.4 Ų | 34.4 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -40.5 | 175.1 | -62.7 | -163.4 | -60.1 | -81.6 | 1.7 | 112.2 | L1560 H1562 N1563 C1564 S1565 V1566 A1571 L1572 D1603 V1608 | L1560-R1568 WeakPolarHBondContact O-CD 3.35Å; H1562-R1568 WeakPolarHBondContact O-CD 3.49Å; H1562-R1568 PolarHBondContact O-NH1 3.08Å; N1563-R1568 VanDerWaalsContact C-NH1 3.29Å; N1563-R1568 PolarHBondContact O-NH1 3.45Å; C1564-R1568 PolarHBondContact O-N 2.93Å; S1565-R1568 PolarHBondContact O-N 3.48Å; V1566-R1568 VanDerWaalsContact C-N 3.32Å; V1566-R1568 PolarHBondContact O-N 3.01Å; R1568-A1571 PolarHBondContact O-N 3.18Å; R1568-L1572 WeakPolarHBondContact O-CB 3.39Å; R1568-L1572 VanDerWaalsContact O-CG 3.3Å; R1568-L1572 WeakPolarHBondContact O-CG 3.38Å; R1568-L1572 PolarHBondContact O-N 3Å; R1568-D1603 IonicContact CZ-OD2 2.66Å; R1568-D1603 IonicContact NE-OD2 3.94Å; R1568-D1603 PolarHBondContact NE-OD2 3.38Å; R1568-D1603 VanDerWaalsContact NH2-CG 3.29Å; R1568-D1603 IonicContact NH2-OD1 2.98Å; R1568-D1603 PolarHBondContact NH2-OD1 3.21Å; R1568-D1603 VanDerWaalsContact NH2-OD1 3.08Å; R1568-D1603 IonicContact NH2-OD2 3.16Å; R1568-D1603 PolarHBondContact NH2-OD2 3.47Å; R1568-V1608 HydrophobicContact CB-CG1 4.28Å; R1568-V1608 HydrophobicContact CB-CG2 4.26Å |
| 1569 | Q | 87.4 | Confident | 87.4 | Confident | 13 Ų | 13 | 27.6 Ų | 27.6 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.5 | -50.6 | 175.7 | -78 | 164.5 | 69.6 | 0 | 0 | 112.3 | S1565 V1566 I1567 L1572 L1573 R1607 V1608 N1611 | S1565-Q1569 WeakPolarHBondContact O-CG 3.47Å; S1565-Q1569 PolarHBondContact O-N 2.83Å; S1565-Q1569 PolarHBondContact O-NE2 3.04Å; S1565-Q1569 VanDerWaalsContact O-NE2 3.14Å; V1566-Q1569 WeakPolarHBondContact O-CB 3.33Å; V1566-Q1569 PolarHBondContact O-N 3.36Å; I1567-Q1569 VanDerWaalsContact C-N 3.34Å; I1567-Q1569 PolarHBondContact O-N 3.46Å; Q1569-L1572 PolarHBondContact O-N 3.35Å; Q1569-L1573 PolarHBondContact O-N 3.44Å; Q1569-L1573 VanDerWaalsContact O-N 3.07Å; Q1569-R1607 HydrophobicContact CG-CB 4.12Å; Q1569-R1607 VanDerWaalsContact OE1-CB 3.24Å; Q1569-V1608 HydrophobicContact CG-CB 4.38Å; Q1569-V1608 HydrophobicContact CG-CG2 3.65Å; Q1569-N1611 PolarHBondContact O-ND2 3.19Å |
| 1570 | Y | 85.9 | Confident | 86.6 | Confident | 38 Ų | 38 | 28.2 Ų | 28.2 | 15% | 0.149 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.9 | -39.7 | 179.7 | -85.8 | -77.3 | 0 | 0 | 0 | 112.6 | V1468 L1471 V1566 I1567 L1572 L1573 I1574 | V1468-Y1570 HydrophobicContact CG1-CD2 4.16Å; V1468-Y1570 HydrophobicContact CG1-CE2 3.81Å; L1471-Y1570 HydrophobicContact CB-CD1 4.48Å; L1471-Y1570 HydrophobicContact CB-CG 4.22Å; V1566-Y1570 HydrophobicContact CG1-CD2 4.01Å; V1566-Y1570 HydrophobicContact CG1-CE2 3.99Å; V1566-Y1570 WeakPolarHBondContact O-CD2 3.41Å; V1566-Y1570 PolarHBondContact O-N 3.41Å; V1566-Y1570 VanDerWaalsContact O-N 3.08Å; I1567-Y1570 PolarHBondContact O-N 2.87Å; Y1570-L1572 VanDerWaalsContact C-N 3.33Å; Y1570-L1572 PolarHBondContact O-N 3.39Å; Y1570-L1573 PolarHBondContact O-N 3.13Å; Y1570-I1574 WeakPolarHBondContact O-CD1 3.26Å; Y1570-I1574 VanDerWaalsContact O-CG1 3.32Å; Y1570-I1574 WeakPolarHBondContact O-CG1 3.4Å; Y1570-I1574 PolarHBondContact O-N 3.06Å |
| 1571 | A | 90.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58 | -46.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | C1556 H1559 L1560 I1567 R1568 L1573 I1574 I1575 | C1556-A1571 HydrophobicContact CB-CB 4.39Å; C1556-A1571 WeakPolarHBondContact O-CB 3.4Å; H1559-A1571 HydrophobicContact CB-CB 4.03Å; L1560-A1571 HydrophobicContact CD2-CB 3.98Å; I1567-A1571 WeakPolarHBondContact O-CB 3.19Å; I1567-A1571 PolarHBondContact O-N 3.06Å; R1568-A1571 PolarHBondContact O-N 3.18Å; A1571-L1573 PolarHBondContact O-N 3.39Å; A1571-I1574 PolarHBondContact O-N 3.43Å; A1571-I1575 WeakPolarHBondContact O-CB 3.26Å; A1571-I1575 WeakPolarHBondContact O-CD1 3.41Å; A1571-I1575 WeakPolarHBondContact O-CG1 3.42Å; A1571-I1575 PolarHBondContact O-N 3.09Å |
| 1572 | L | 90 | Very high | 84.4 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 176.1 | -73.8 | 167 | 0 | 0 | 0 | 112.7 | L1560 R1568 Q1569 Y1570 G1576 I1596 L1599 V1608 N1611 A1612 C1615 | L1560-L1572 HydrophobicContact CD2-CD2 3.61Å; L1560-L1572 HydrophobicContact CD2-CG 3.68Å; R1568-L1572 WeakPolarHBondContact O-CB 3.39Å; R1568-L1572 VanDerWaalsContact O-CG 3.3Å; R1568-L1572 WeakPolarHBondContact O-CG 3.38Å; R1568-L1572 PolarHBondContact O-N 3Å; Q1569-L1572 PolarHBondContact O-N 3.35Å; Y1570-L1572 VanDerWaalsContact C-N 3.33Å; Y1570-L1572 PolarHBondContact O-N 3.39Å; L1572-G1576 PolarHBondContact O-N 3.26Å; L1572-I1596 HydrophobicContact CD2-CB 4.44Å; L1572-I1596 HydrophobicContact CD2-CG1 4.02Å; L1572-I1596 HydrophobicContact CD2-CG2 3.93Å; L1572-L1599 HydrophobicContact CD1-CD1 4.29Å; L1572-L1599 HydrophobicContact CD2-CD1 4.42Å; L1572-V1608 HydrophobicContact CD1-CG1 3.71Å; L1572-V1608 WeakPolarHBondContact CD1-O 3.44Å; L1572-N1611 HydrophobicContact CB-CB 3.88Å; L1572-N1611 HydrophobicContact CD1-CB 4.15Å; L1572-A1612 HydrophobicContact CD1-CB 3.9Å; L1572-A1612 HydrophobicContact CD2-CB 4.25Å; L1572-C1615 PolarHBondContact O-SG 3.35Å |
| 1573 | L | 84.9 | Confident | 83.5 | Confident | 52 Ų | 52 | 25.2 Ų | 25.2 | 27% | 0.272 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -64 | -46 | 177.9 | -171.7 | 69.1 | 0 | 0 | 0 | 111.5 | N1475 Q1569 Y1570 A1571 G1576 N1577 | N1475-L1573 WeakPolarHBondContact OD1-CD2 3.42Å; N1475-L1573 WeakPolarHBondContact OD1-CG 3.48Å; Q1569-L1573 PolarHBondContact O-N 3.44Å; Q1569-L1573 VanDerWaalsContact O-N 3.07Å; Y1570-L1573 PolarHBondContact O-N 3.13Å; A1571-L1573 PolarHBondContact O-N 3.39Å; L1573-G1576 PolarHBondContact O-N 3.15Å; L1573-N1577 PolarHBondContact O-N 2.66Å |
| 1574 | I | 86.3 | Confident | 82.9 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.4 | -46 | 178.4 | -68.5 | 160.9 | 0 | 0 | 0 | 110.5 | L1471 L1474 N1475 M1478 C1556 Y1570 A1571 G1576 N1577 V1578 | L1471-I1574 HydrophobicContact CB-CD1 3.9Å; L1471-I1574 HydrophobicContact CD2-CD1 3.67Å; L1471-I1574 HydrophobicContact CG-CD1 4.37Å; L1471-I1574 WeakPolarHBondContact O-CD1 3.38Å; L1474-I1574 HydrophobicContact CB-CD1 4.38Å; L1474-I1574 HydrophobicContact CD2-CD1 4.04Å; L1474-I1574 HydrophobicContact CD2-CG2 4.22Å; L1474-I1574 HydrophobicContact CG-CD1 4.24Å; L1474-I1574 HydrophobicContact CG-CG2 4.49Å; N1475-I1574 HydrophobicContact CB-CD1 4.48Å; N1475-I1574 HydrophobicContact CB-CG1 3.92Å; M1478-I1574 HydrophobicContact CE-CB 3.95Å; M1478-I1574 HydrophobicContact CE-CG1 4.13Å; M1478-I1574 HydrophobicContact CE-CG2 3.58Å; M1478-I1574 WeakPolarHBondContact CE-O 3.32Å; M1478-I1574 HydrophobicContact SD-CG2 4.19Å; C1556-I1574 HydrophobicContact CB-CG2 4.46Å; Y1570-I1574 WeakPolarHBondContact O-CD1 3.26Å; Y1570-I1574 VanDerWaalsContact O-CG1 3.32Å; Y1570-I1574 WeakPolarHBondContact O-CG1 3.4Å; Y1570-I1574 PolarHBondContact O-N 3.06Å; A1571-I1574 PolarHBondContact O-N 3.43Å; I1574-G1576 VanDerWaalsContact C-N 3.28Å; I1574-G1576 PolarHBondContact O-N 2.97Å; I1574-N1577 PolarHBondContact O-N 3.39Å; I1574-V1578 WeakPolarHBondContact O-CG2 3.46Å; I1574-V1578 PolarHBondContact O-N 3.06Å |
| 1575 | I | 89 | Confident | 82.5 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 175.9 | -67.8 | 168.1 | 0 | 0 | 0 | 110.4 | L1553 C1556 I1557 L1560 A1571 V1578 L1579 I1589 I1596 C1615 | L1553-I1575 HydrophobicContact CD1-CG1 3.96Å; C1556-I1575 HydrophobicContact CB-CG1 4.32Å; I1557-I1575 HydrophobicContact CG1-CD1 4.08Å; L1560-I1575 HydrophobicContact CD1-CD1 3.79Å; L1560-I1575 HydrophobicContact CD2-CD1 4.01Å; L1560-I1575 HydrophobicContact CG-CD1 4.01Å; A1571-I1575 WeakPolarHBondContact O-CB 3.26Å; A1571-I1575 WeakPolarHBondContact O-CD1 3.41Å; A1571-I1575 WeakPolarHBondContact O-CG1 3.42Å; A1571-I1575 PolarHBondContact O-N 3.09Å; I1575-V1578 PolarHBondContact O-N 3.11Å; I1575-L1579 HydrophobicContact CG2-CD1 4.48Å; I1575-L1579 WeakPolarHBondContact O-CG 3.38Å; I1575-L1579 PolarHBondContact O-N 3.16Å; I1575-I1589 HydrophobicContact CG2-CD1 3.78Å; I1575-I1589 HydrophobicContact CG2-CG1 4.06Å; I1575-I1589 HydrophobicContact CG2-CG2 3.67Å; I1575-I1596 HydrophobicContact CG2-CD1 4.21Å; I1575-C1615 VanDerWaalsContact CG2-SG 3.58Å |
| 1576 | G | 85.3 | Confident | 82.1 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 4% | 0.041 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1572 L1573 I1574 L1579 F1580 N1618 | L1572-G1576 PolarHBondContact O-N 3.26Å; L1573-G1576 PolarHBondContact O-N 3.15Å; I1574-G1576 VanDerWaalsContact C-N 3.28Å; I1574-G1576 PolarHBondContact O-N 2.97Å; G1576-L1579 PolarHBondContact O-N 3.39Å; G1576-F1580 PolarHBondContact O-N 3.12Å; G1576-N1618 PolarHBondContact O-ND2 3.2Å |
| 1577 | N | 80.6 | Confident | 82.1 | Confident | 11 Ų | 11 | 26.3 Ų | 26.3 | 6% | 0.059 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.8 | -35.4 | 176.5 | -76.3 | -19.2 | 0 | 0 | 0 | 112.3 | N1475 M1478 L1573 I1574 F1580 L1581 | N1475-N1577 PolarHBondContact OD1-ND2 3.21Å; M1478-N1577 HydrophobicContact CE-CB 3.51Å; L1573-N1577 PolarHBondContact O-N 2.66Å; I1574-N1577 PolarHBondContact O-N 3.39Å; N1577-F1580 WeakPolarHBondContact O-CB 3.39Å; N1577-F1580 PolarHBondContact O-N 2.96Å; N1577-F1580 VanDerWaalsContact O-N 3.16Å; N1577-L1581 WeakPolarHBondContact O-CB 3.32Å; N1577-L1581 VanDerWaalsContact O-CG 3.28Å; N1577-L1581 WeakPolarHBondContact O-CG 3.12Å; N1577-L1581 PolarHBondContact O-N 3.4Å |
| 1578 | V | 81.1 | Confident | 81.8 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.024 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 172.9 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | M1478 L1553 I1574 I1575 F1580 L1581 S1582 L1585 I1589 | M1478-V1578 HydrophobicContact CE-CG2 4.31Å; M1478-V1578 HydrophobicContact SD-CG2 3.63Å; L1553-V1578 HydrophobicContact CD1-CB 4.31Å; L1553-V1578 HydrophobicContact CD1-CG1 4.32Å; L1553-V1578 HydrophobicContact CD1-CG2 4.14Å; L1553-V1578 HydrophobicContact CD2-CG1 3.93Å; I1574-V1578 WeakPolarHBondContact O-CG2 3.46Å; I1574-V1578 PolarHBondContact O-N 3.06Å; I1575-V1578 PolarHBondContact O-N 3.11Å; V1578-F1580 PolarHBondContact O-N 2.95Å; V1578-F1580 VanDerWaalsContact O-N 3.15Å; V1578-L1581 PolarHBondContact O-N 3.09Å; V1578-L1581 VanDerWaalsContact O-N 3.16Å; V1578-S1582 PolarHBondContact O-N 3.23Å; V1578-S1582 VanDerWaalsContact O-N 3.07Å; V1578-L1585 HydrophobicContact CG1-CB 3.54Å; V1578-L1585 HydrophobicContact CG1-CD1 4.11Å; V1578-L1585 HydrophobicContact CG1-CG 4.48Å; V1578-I1589 HydrophobicContact CB-CD1 4.37Å; V1578-I1589 HydrophobicContact CG1-CD1 4.05Å |
| 1579 | L | 81 | Confident | 81.4 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.9 | -18.9 | 173.5 | -74.5 | 168.4 | 0 | 0 | 0 | 113.4 | I1575 G1576 C1586 I1589 C1615 N1618 M1619 H1622 L1626 | I1575-L1579 HydrophobicContact CG2-CD1 4.48Å; I1575-L1579 WeakPolarHBondContact O-CG 3.38Å; I1575-L1579 PolarHBondContact O-N 3.16Å; G1576-L1579 PolarHBondContact O-N 3.39Å; L1579-C1586 HydrophobicContact CD2-CB 4.06Å; L1579-I1589 HydrophobicContact CD1-CD1 4.33Å; L1579-I1589 HydrophobicContact CD1-CG2 4.38Å; L1579-I1589 HydrophobicContact CD2-CB 4.46Å; L1579-I1589 HydrophobicContact CD2-CD1 3.65Å; L1579-I1589 HydrophobicContact CD2-CG2 4.42Å; L1579-I1589 HydrophobicContact CG-CD1 3.55Å; L1579-C1615 VanDerWaalsContact CD1-O 3.32Å; L1579-C1615 WeakPolarHBondContact CD1-O 3.24Å; L1579-N1618 HydrophobicContact CB-CB 3.96Å; L1579-M1619 HydrophobicContact CD1-CE 3.64Å; L1579-M1619 HydrophobicContact CD1-CG 3.79Å; L1579-M1619 HydrophobicContact CD2-CG 4.24Å; L1579-H1622 PolarHBondContact O-CD2 3.18Å; L1579-H1622 PolarHBondContact O-NE2 3.5Å; L1579-H1622 VanDerWaalsContact O-NE2 3.12Å; L1579-L1626 HydrophobicContact CD2-CD1 4.05Å |
| 1580 | F | 76.9 | Confident | 81.4 | Confident | 35 Ų | 35 | 28.7 Ų | 28.7 | 15% | 0.154 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -91.9 | -34.1 | 176 | 178.9 | -131.2 | 0 | 0 | 0 | 112.5 | Y1482 G1576 N1577 V1578 Y1621 | Y1482-F1580 HydrophobicContact CD2-CE1 4.06Å; Y1482-F1580 AromaticContact CE2-CD1 3.74Å; Y1482-F1580 HydrophobicContact CE2-CD1 3.74Å; Y1482-F1580 AromaticContact CE2-CE1 3.1Å; Y1482-F1580 HydrophobicContact CE2-CE1 3.1Å; Y1482-F1580 AromaticContact CE2-CZ 3.66Å; Y1482-F1580 HydrophobicContact CE2-CZ 3.66Å; Y1482-F1580 AromaticContact CZ-CE1 3.53Å; Y1482-F1580 AromaticContact CZ-CZ 3.6Å; Y1482-F1580 WeakPolarHBondContact OH-CE1 3.33Å; Y1482-F1580 WeakPolarHBondContact OH-CZ 3.37Å; G1576-F1580 PolarHBondContact O-N 3.12Å; N1577-F1580 WeakPolarHBondContact O-CB 3.39Å; N1577-F1580 PolarHBondContact O-N 2.96Å; N1577-F1580 VanDerWaalsContact O-N 3.16Å; V1578-F1580 PolarHBondContact O-N 2.95Å; V1578-F1580 VanDerWaalsContact O-N 3.15Å; F1580-Y1621 HydrophobicContact CB-CD2 4.5Å; F1580-Y1621 HydrophobicContact CD2-CD1 4.29Å; F1580-Y1621 AromaticContact CD2-CD2 3.63Å; F1580-Y1621 HydrophobicContact CD2-CD2 3.63Å; F1580-Y1621 AromaticContact CD2-CE1 3.96Å; F1580-Y1621 HydrophobicContact CD2-CE1 3.96Å; F1580-Y1621 AromaticContact CD2-CE2 3.27Å; F1580-Y1621 HydrophobicContact CD2-CE2 3.27Å; F1580-Y1621 HydrophobicContact CD2-CG 4.15Å; F1580-Y1621 AromaticContact CD2-CZ 3.44Å; F1580-Y1621 VanDerWaalsContact CD2-CZ 3.44Å; F1580-Y1621 HydrophobicContact CE2-CD1 4.45Å; F1580-Y1621 HydrophobicContact CE2-CD2 4.4Å; F1580-Y1621 AromaticContact CE2-CE1 3.78Å; F1580-Y1621 HydrophobicContact CE2-CE1 3.78Å; F1580-Y1621 AromaticContact CE2-CE2 3.74Å; F1580-Y1621 HydrophobicContact CE2-CE2 3.74Å; F1580-Y1621 AromaticContact CE2-CZ 3.37Å; F1580-Y1621 WeakPolarHBondContact CE2-OH 3.25Å; F1580-Y1621 HydrophobicContact CG-CE2 4.28Å |
| 1581 | L | 69.7 | Low | 81.4 | Confident | 31 Ų | 31 | 31.5 Ų | 31.5 | 16% | 0.162 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -90.3 | -37.2 | -169.7 | -76.5 | 169 | 0 | 0 | 0 | 114.8 | M1478 Y1482 N1577 V1578 | M1478-L1581 HydrophobicContact CB-CD1 4.06Å; Y1482-L1581 HydrophobicContact CD2-CD2 3.52Å; Y1482-L1581 HydrophobicContact CE2-CD2 3.9Å; N1577-L1581 WeakPolarHBondContact O-CB 3.32Å; N1577-L1581 VanDerWaalsContact O-CG 3.28Å; N1577-L1581 WeakPolarHBondContact O-CG 3.12Å; N1577-L1581 PolarHBondContact O-N 3.4Å; V1578-L1581 PolarHBondContact O-N 3.09Å; V1578-L1581 VanDerWaalsContact O-N 3.16Å |
| 1582 | S | 69.5 | Low | 81.4 | Confident | 12 Ų | 12 | 31.6 Ų | 31.6 | 8% | 0.084 | 17% | 0.172 | C | C | . | . | trans | -136.2 | 120.4 | -165.6 | 179.2 | 0 | 0 | 0 | 0 | 113.8 | V1578 E1584 L1585 | V1578-S1582 PolarHBondContact O-N 3.23Å; V1578-S1582 VanDerWaalsContact O-N 3.07Å; S1582-E1584 VanDerWaalsContact C-N 3.31Å; S1582-E1584 PolarHBondContact O-N 3.22Å; S1582-E1584 PolarHBondContact OG-N 3.16Å; S1582-L1585 PolarHBondContact OG-N 3.13Å | ||
| 1583 | N | 72.4 | Confident | 81.4 | Confident | 83 Ų | 83 | 31.7 Ų | 31.7 | 44% | 0.444 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -26.8 | 172.1 | -165.5 | 38 | 0 | 0 | 0 | 113 | C1586 H1622 Q1625 | N1583-C1586 PolarHBondContact O-SG 3.06Å; N1583-H1622 WeakPolarHBondContact CA-CE1 3.5Å; N1583-H1622 PolarHBondContact OD1-ND1 3.26Å; N1583-Q1625 PolarHBondContact ND2-NE2 3.42Å; N1583-Q1625 PolarHBondContact OD1-NE2 3.08Å; N1583-Q1625 PolarHBondContact OD1-OE1 3.11Å |
| 1584 | E | 74.9 | Confident | 81.8 | Confident | 133 Ų | 133 | 32.2 Ų | 32.2 | 62% | 0.621 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -36.3 | -177.9 | -69.8 | -176.7 | 178.3 | 0 | 0 | 112.3 | T1546 S1582 | T1546-E1584 WeakPolarHBondContact CB-OE2 2.82Å; T1546-E1584 HydrophobicContact CG2-CB 3.96Å; T1546-E1584 PolarHBondContact OG1-OE2 2.85Å; S1582-E1584 VanDerWaalsContact C-N 3.31Å; S1582-E1584 PolarHBondContact O-N 3.22Å; S1582-E1584 PolarHBondContact OG-N 3.16Å |
| 1585 | L | 77.7 | Confident | 82.1 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -80.9 | -15.9 | -177 | -71 | 169.1 | 0 | 0 | 0 | 113.3 | T1546 F1549 D1550 L1553 V1578 S1582 M1587 N1588 | T1546-L1585 HydrophobicContact CG2-CD2 3.92Å; T1546-L1585 HydrophobicContact CG2-CG 4.2Å; F1549-L1585 HydrophobicContact CB-CD1 3.87Å; D1550-L1585 HydrophobicContact CB-CD2 3.97Å; L1553-L1585 HydrophobicContact CD2-CB 4.06Å; L1553-L1585 HydrophobicContact CD2-CD2 4.22Å; V1578-L1585 HydrophobicContact CG1-CB 3.54Å; V1578-L1585 HydrophobicContact CG1-CD1 4.11Å; V1578-L1585 HydrophobicContact CG1-CG 4.48Å; S1582-L1585 PolarHBondContact OG-N 3.13Å; L1585-M1587 PolarHBondContact O-N 3.28Å; L1585-N1588 PolarHBondContact O-N 3.07Å |
| 1586 | C | 78.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -62.3 | -29.3 | -175.7 | 73.4 | 0 | 0 | 0 | 0 | 112.8 | L1579 N1583 N1588 I1589 H1622 | L1579-C1586 HydrophobicContact CD2-CB 4.06Å; N1583-C1586 PolarHBondContact O-SG 3.06Å; C1586-N1588 VanDerWaalsContact C-N 3.28Å; C1586-N1588 PolarHBondContact O-N 3.48Å; C1586-I1589 WeakPolarHBondContact O-CB 3.46Å; C1586-I1589 PolarHBondContact O-N 2.79Å; C1586-I1589 VanDerWaalsContact O-N 3.12Å; C1586-H1622 HydrophobicContact CB-CB 4.45Å |
| 1587 | M | 82.4 | Confident | 82.7 | Confident | 105 Ų | 105 | 37 Ų | 37 | 52% | 0.517 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -66.2 | -28.6 | -179.4 | -65.8 | -59.2 | -80 | 0 | 0 | 113 | L1585 I1589 V1590 | L1585-M1587 PolarHBondContact O-N 3.28Å; M1587-I1589 PolarHBondContact O-N 3.48Å; M1587-V1590 WeakPolarHBondContact O-CB 3.26Å; M1587-V1590 PolarHBondContact O-N 2.93Å |
| 1588 | N | 82.1 | Confident | 83.3 | Confident | 51 Ų | 51 | 37.7 Ų | 37.7 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -68.7 | -20.6 | 176.2 | -67 | -15 | 0 | 0 | 0 | 112.7 | D1550 L1553 I1557 L1585 C1586 S1591 | D1550-N1588 PolarHBondContact OD1-ND2 3.42Å; L1553-N1588 HydrophobicContact CD2-CB 4.11Å; I1557-N1588 WeakPolarHBondContact CD1-O 2.79Å; L1585-N1588 PolarHBondContact O-N 3.07Å; C1586-N1588 VanDerWaalsContact C-N 3.28Å; C1586-N1588 PolarHBondContact O-N 3.48Å; N1588-S1591 PolarHBondContact O-OG 3.42Å |
| 1589 | I | 84.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -82.1 | -19.4 | -176.6 | -60 | 171.2 | 0 | 0 | 0 | 111.1 | L1553 I1575 V1578 L1579 C1586 M1587 S1591 A1592 L1593 I1596 M1619 | L1553-I1589 HydrophobicContact CD1-CD1 4.36Å; L1553-I1589 HydrophobicContact CD1-CG1 4.28Å; L1553-I1589 HydrophobicContact CD2-CG1 4.35Å; I1575-I1589 HydrophobicContact CG2-CD1 3.78Å; I1575-I1589 HydrophobicContact CG2-CG1 4.06Å; I1575-I1589 HydrophobicContact CG2-CG2 3.67Å; V1578-I1589 HydrophobicContact CB-CD1 4.37Å; V1578-I1589 HydrophobicContact CG1-CD1 4.05Å; L1579-I1589 HydrophobicContact CD1-CD1 4.33Å; L1579-I1589 HydrophobicContact CD1-CG2 4.38Å; L1579-I1589 HydrophobicContact CD2-CB 4.46Å; L1579-I1589 HydrophobicContact CD2-CD1 3.65Å; L1579-I1589 HydrophobicContact CD2-CG2 4.42Å; L1579-I1589 HydrophobicContact CG-CD1 3.55Å; C1586-I1589 WeakPolarHBondContact O-CB 3.46Å; C1586-I1589 PolarHBondContact O-N 2.79Å; C1586-I1589 VanDerWaalsContact O-N 3.12Å; M1587-I1589 PolarHBondContact O-N 3.48Å; I1589-S1591 PolarHBondContact O-N 3.46Å; I1589-A1592 WeakPolarHBondContact O-CA 3.5Å; I1589-A1592 WeakPolarHBondContact O-CB 3.16Å; I1589-A1592 PolarHBondContact O-N 2.97Å; I1589-L1593 PolarHBondContact O-N 3.17Å; I1589-I1596 HydrophobicContact CG2-CD1 4.24Å; I1589-M1619 HydrophobicContact CG2-CE 4.46Å |
| 1590 | V | 86.2 | Confident | 84.5 | Confident | 34 Ų | 34 | 37.7 Ų | 37.7 | 21% | 0.206 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -55.1 | -39.5 | -179.5 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | M1587 A1592 L1593 L1626 S1629 | M1587-V1590 WeakPolarHBondContact O-CB 3.26Å; M1587-V1590 PolarHBondContact O-N 2.93Å; V1590-A1592 PolarHBondContact O-N 3.14Å; V1590-L1593 HydrophobicContact CG1-CD1 4.37Å; V1590-L1593 WeakPolarHBondContact O-CB 3.49Å; V1590-L1593 WeakPolarHBondContact O-CG 3.47Å; V1590-L1593 PolarHBondContact O-N 2.96Å; V1590-L1626 HydrophobicContact CG2-CD2 3.57Å; V1590-S1629 WeakPolarHBondContact CG1-OG 3.42Å |
| 1591 | S | 86.4 | Confident | 85.2 | Confident | 96 Ų | 96 | 39 Ų | 39 | 67% | 0.671 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -68.7 | -21.2 | 177.2 | 52.5 | 0 | 0 | 0 | 0 | 114 | N1588 I1589 | N1588-S1591 PolarHBondContact O-OG 3.42Å; I1589-S1591 PolarHBondContact O-N 3.46Å |
| 1592 | A | 89.9 | Confident | 86.2 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -87.8 | -16.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1557 L1560 I1589 V1590 P1594 R1595 I1596 | I1557-A1592 HydrophobicContact CB-CB 4.5Å; I1557-A1592 HydrophobicContact CG1-CB 4.11Å; I1557-A1592 HydrophobicContact CG2-CB 3.78Å; L1560-A1592 HydrophobicContact CD1-CB 3.99Å; I1589-A1592 WeakPolarHBondContact O-CA 3.5Å; I1589-A1592 WeakPolarHBondContact O-CB 3.16Å; I1589-A1592 PolarHBondContact O-N 2.97Å; V1590-A1592 PolarHBondContact O-N 3.14Å; A1592-P1594 VanDerWaalsContact C-CD 3.46Å; A1592-R1595 WeakPolarHBondContact O-CA 3.4Å; A1592-R1595 WeakPolarHBondContact O-CB 3.24Å; A1592-R1595 PolarHBondContact O-N 3.37Å; A1592-I1596 HydrophobicContact CB-CD1 4.18Å; A1592-I1596 WeakPolarHBondContact O-CG1 3.5Å; A1592-I1596 PolarHBondContact O-N 3.01Å |
| 1593 | L | 91.3 | Very high | 87.3 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -49.9 | -48.1 | -175.9 | -71.4 | 174.9 | 0 | 0 | 0 | 114.8 | I1589 V1590 R1595 I1596 V1597 L1616 M1619 H1633 | I1589-L1593 PolarHBondContact O-N 3.17Å; V1590-L1593 HydrophobicContact CG1-CD1 4.37Å; V1590-L1593 WeakPolarHBondContact O-CB 3.49Å; V1590-L1593 WeakPolarHBondContact O-CG 3.47Å; V1590-L1593 PolarHBondContact O-N 2.96Å; L1593-R1595 PolarHBondContact O-N 2.98Å; L1593-I1596 PolarHBondContact O-N 3.14Å; L1593-V1597 WeakPolarHBondContact O-CG2 3.42Å; L1593-V1597 PolarHBondContact O-N 2.87Å; L1593-L1616 HydrophobicContact CD2-CD2 4.29Å; L1593-M1619 HydrophobicContact CD2-CE 3.18Å; L1593-M1619 HydrophobicContact CD2-SD 3.63Å; L1593-H1633 HydrophobicContact CB-CB 4.31Å |
| 1594 | P | 92.2 | Very high | 88 | Confident | 63 Ų | 63 | 45.9 Ų | 45.9 | 41% | 0.409 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.2 | -37 | 178.5 | -19.9 | 28.9 | 0 | 0 | 0 | 112.5 | A1592 S1598 | A1592-P1594 VanDerWaalsContact C-CD 3.46Å; P1594-S1598 PolarHBondContact O-N 3.32Å; P1594-S1598 VanDerWaalsContact O-N 3.07Å |
| 1595 | R | 92.6 | Very high | 88.6 | Confident | 87 Ų | 87 | 40.7 Ų | 40.7 | 33% | 0.328 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -75 | -41.5 | -179 | -174.4 | 55.2 | 168.8 | 176.8 | -7.6 | 111.5 | L1560 Q1561 A1592 L1593 V1597 S1598 L1599 | L1560-R1595 HydrophobicContact CB-CG 3.87Å; L1560-R1595 PolarHBondContact O-NE 2.87Å; Q1561-R1595 HydrophobicContact CG-CG 4.44Å; A1592-R1595 WeakPolarHBondContact O-CA 3.4Å; A1592-R1595 WeakPolarHBondContact O-CB 3.24Å; A1592-R1595 PolarHBondContact O-N 3.37Å; L1593-R1595 PolarHBondContact O-N 2.98Å; R1595-V1597 VanDerWaalsContact C-N 3.28Å; R1595-V1597 PolarHBondContact O-N 3.08Å; R1595-S1598 PolarHBondContact O-N 2.88Å; R1595-L1599 HydrophobicContact CG-CD1 4.42Å; R1595-L1599 VanDerWaalsContact O-CG 3.31Å; R1595-L1599 WeakPolarHBondContact O-CG 3.3Å; R1595-L1599 PolarHBondContact O-N 3.44Å |
| 1596 | I | 93.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.2 | -41 | 176.2 | -60.9 | 170.7 | 0 | 0 | 0 | 110.3 | L1560 L1572 I1575 I1589 A1592 L1593 L1599 L1600 A1612 L1616 | L1560-I1596 HydrophobicContact CD1-CD1 4.36Å; L1560-I1596 HydrophobicContact CD1-CG1 3.74Å; L1572-I1596 HydrophobicContact CD2-CB 4.44Å; L1572-I1596 HydrophobicContact CD2-CG1 4.02Å; L1572-I1596 HydrophobicContact CD2-CG2 3.93Å; I1575-I1596 HydrophobicContact CG2-CD1 4.21Å; I1589-I1596 HydrophobicContact CG2-CD1 4.24Å; A1592-I1596 HydrophobicContact CB-CD1 4.18Å; A1592-I1596 WeakPolarHBondContact O-CG1 3.5Å; A1592-I1596 PolarHBondContact O-N 3.01Å; L1593-I1596 PolarHBondContact O-N 3.14Å; I1596-L1599 PolarHBondContact O-N 3.21Å; I1596-L1600 PolarHBondContact O-N 2.71Å; I1596-A1612 HydrophobicContact CG2-CB 4.26Å; I1596-L1616 HydrophobicContact CB-CD2 4.4Å; I1596-L1616 HydrophobicContact CG2-CD1 4.12Å; I1596-L1616 HydrophobicContact CG2-CD2 3.72Å; I1596-L1616 HydrophobicContact CG2-CG 3.71Å |
| 1597 | V | 94.2 | Very high | 89.1 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 12% | 0.121 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.1 | -45.9 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | L1593 R1595 L1599 L1600 T1601 V1635 A1638 | L1593-V1597 WeakPolarHBondContact O-CG2 3.42Å; L1593-V1597 PolarHBondContact O-N 2.87Å; R1595-V1597 VanDerWaalsContact C-N 3.28Å; R1595-V1597 PolarHBondContact O-N 3.08Å; V1597-L1599 VanDerWaalsContact C-N 3.33Å; V1597-L1599 PolarHBondContact O-N 2.75Å; V1597-L1600 WeakPolarHBondContact O-CB 3.35Å; V1597-L1600 PolarHBondContact O-N 3.03Å; V1597-T1601 PolarHBondContact O-N 3.36Å; V1597-T1601 PolarHBondContact O-OG1 3.19Å; V1597-V1635 HydrophobicContact CG2-CG2 3.78Å; V1597-A1638 HydrophobicContact CG1-CB 3.69Å |
| 1598 | S | 93.4 | Very high | 89.3 | Confident | 25 Ų | 25 | 39.3 Ų | 39.3 | 18% | 0.175 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.5 | -41.7 | 174.1 | 161.1 | 0 | 0 | 0 | 0 | 111.8 | P1594 R1595 L1600 T1601 E1602 | P1594-S1598 PolarHBondContact O-N 3.32Å; P1594-S1598 VanDerWaalsContact O-N 3.07Å; R1595-S1598 PolarHBondContact O-N 2.88Å; S1598-L1600 VanDerWaalsContact C-N 3.33Å; S1598-L1600 PolarHBondContact O-N 2.94Å; S1598-T1601 PolarHBondContact O-N 2.72Å; S1598-T1601 PolarHBondContact O-OG1 2.9Å; S1598-E1602 VanDerWaalsContact O-CB 3.29Å; S1598-E1602 WeakPolarHBondContact O-CB 3.49Å; S1598-E1602 PolarHBondContact O-N 3.05Å; S1598-E1602 PolarHBondContact OG-OE2 3.13Å |
| 1599 | L | 93.6 | Very high | 89.8 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -36.7 | 176.1 | -69.8 | 174.1 | 0 | 0 | 0 | 112.5 | L1560 L1572 R1595 I1596 V1597 T1601 D1603 V1608 R1609 | L1560-L1599 HydrophobicContact CB-CD1 4.07Å; L1560-L1599 HydrophobicContact CD2-CD1 3.94Å; L1572-L1599 HydrophobicContact CD1-CD1 4.29Å; L1572-L1599 HydrophobicContact CD2-CD1 4.42Å; R1595-L1599 HydrophobicContact CG-CD1 4.42Å; R1595-L1599 VanDerWaalsContact O-CG 3.31Å; R1595-L1599 WeakPolarHBondContact O-CG 3.3Å; R1595-L1599 PolarHBondContact O-N 3.44Å; I1596-L1599 PolarHBondContact O-N 3.21Å; V1597-L1599 VanDerWaalsContact C-N 3.33Å; V1597-L1599 PolarHBondContact O-N 2.75Å; L1599-T1601 VanDerWaalsContact C-N 3.33Å; L1599-T1601 PolarHBondContact O-N 3.45Å; L1599-D1603 HydrophobicContact CD2-CB 4.31Å; L1599-D1603 VanDerWaalsContact CD2-OD2 3.27Å; L1599-D1603 WeakPolarHBondContact CD2-OD2 3.46Å; L1599-D1603 WeakPolarHBondContact O-CB 3.45Å; L1599-D1603 PolarHBondContact O-N 3.1Å; L1599-V1608 HydrophobicContact CB-CG1 4.24Å; L1599-V1608 HydrophobicContact CD2-CG1 4.34Å; L1599-R1609 WeakPolarHBondContact O-CG 3.34Å |
| 1600 | L | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.7 | -35.1 | 175.6 | 175.5 | 65.1 | 0 | 0 | 0 | 112.6 | I1596 V1597 S1598 R1609 A1612 A1613 L1616 A1638 L1639 T1642 | I1596-L1600 PolarHBondContact O-N 2.71Å; V1597-L1600 WeakPolarHBondContact O-CB 3.35Å; V1597-L1600 PolarHBondContact O-N 3.03Å; S1598-L1600 VanDerWaalsContact C-N 3.33Å; S1598-L1600 PolarHBondContact O-N 2.94Å; L1600-R1609 VanDerWaalsContact CD1-O 3.29Å; L1600-R1609 WeakPolarHBondContact CD1-O 3.41Å; L1600-R1609 VanDerWaalsContact O-CD 3.24Å; L1600-R1609 WeakPolarHBondContact O-CD 3.27Å; L1600-A1612 HydrophobicContact CB-CB 3.9Å; L1600-A1612 HydrophobicContact CD1-CB 4.38Å; L1600-A1613 HydrophobicContact CD1-CB 3.77Å; L1600-L1616 HydrophobicContact CD2-CD1 3.74Å; L1600-A1638 HydrophobicContact CD2-CB 4.12Å; L1600-L1639 HydrophobicContact CD2-CD2 3.74Å; L1600-L1639 HydrophobicContact CD2-CG 4.16Å; L1600-T1642 HydrophobicContact CD1-CG2 3.82Å; L1600-T1642 HydrophobicContact CG-CG2 4.25Å |
| 1601 | T | 91.3 | Very high | 89.9 | Confident | 62 Ų | 62 | 37.5 Ų | 37.5 | 38% | 0.38 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -99.4 | -29.3 | -172.2 | 53.3 | 0 | 0 | 0 | 0 | 113.9 | V1597 S1598 L1599 A1638 | V1597-T1601 PolarHBondContact O-N 3.36Å; V1597-T1601 PolarHBondContact O-OG1 3.19Å; S1598-T1601 PolarHBondContact O-N 2.72Å; S1598-T1601 PolarHBondContact O-OG1 2.9Å; L1599-T1601 VanDerWaalsContact C-N 3.33Å; L1599-T1601 PolarHBondContact O-N 3.45Å; T1601-A1638 HydrophobicContact CG2-CB 3.98Å |
| 1602 | E | 90.8 | Very high | 90.2 | Very high | 144 Ų | 144 | 32.9 Ų | 32.9 | 67% | 0.673 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -119.5 | -15.7 | -165.9 | -60.4 | 165.9 | 173 | 0 | 0 | 113.9 | S1598 S1604 | S1598-E1602 VanDerWaalsContact O-CB 3.29Å; S1598-E1602 WeakPolarHBondContact O-CB 3.49Å; S1598-E1602 PolarHBondContact O-N 3.05Å; S1598-E1602 PolarHBondContact OG-OE2 3.13Å; E1602-S1604 PolarHBondContact O-N 2.81Å |
| 1603 | D | 91 | Very high | 90.2 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | trans | -68.9 | 135.7 | -176.5 | -159 | -68.7 | 0 | 0 | 0 | 111.3 | R1568 L1599 S1605 V1608 R1609 | R1568-D1603 IonicContact CZ-OD2 2.66Å; R1568-D1603 IonicContact NE-OD2 3.94Å; R1568-D1603 PolarHBondContact NE-OD2 3.38Å; R1568-D1603 VanDerWaalsContact NH2-CG 3.29Å; R1568-D1603 IonicContact NH2-OD1 2.98Å; R1568-D1603 PolarHBondContact NH2-OD1 3.21Å; R1568-D1603 VanDerWaalsContact NH2-OD1 3.08Å; R1568-D1603 IonicContact NH2-OD2 3.16Å; R1568-D1603 PolarHBondContact NH2-OD2 3.47Å; L1599-D1603 HydrophobicContact CD2-CB 4.31Å; L1599-D1603 VanDerWaalsContact CD2-OD2 3.27Å; L1599-D1603 WeakPolarHBondContact CD2-OD2 3.46Å; L1599-D1603 WeakPolarHBondContact O-CB 3.45Å; L1599-D1603 PolarHBondContact O-N 3.1Å; D1603-S1605 VanDerWaalsContact C-N 3.26Å; D1603-S1605 PolarHBondContact O-N 3.11Å; D1603-S1605 WeakPolarHBondContact OD1-CB 3.31Å; D1603-S1605 PolarHBondContact OD1-N 3.48Å; D1603-V1608 HydrophobicContact CB-CB 4.28Å; D1603-V1608 HydrophobicContact CB-CG1 4.01Å; D1603-R1609 HydrophobicContact CB-CG 4.22Å; D1603-R1609 WeakPolarHBondContact O-CD 3.24Å; D1603-R1609 PolarHBondContact O-NH1 2.93Å | ||
| 1604 | S | 88.9 | Confident | 90 | Very high | 114 Ų | 114 | 34.9 Ų | 34.9 | 80% | 0.797 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -67.4 | -27 | 180 | 56.2 | 0 | 0 | 0 | 0 | 113 | E1602 R1609 | E1602-S1604 PolarHBondContact O-N 2.81Å; S1604-R1609 PolarHBondContact O-NH1 3.39Å |
| 1605 | S | 86.6 | Confident | 89.8 | Confident | 24 Ų | 24 | 32 Ų | 32 | 17% | 0.168 | 17% | 0.173 | C | C | . | . | trans | -85.1 | 116.1 | -178.4 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | D1603 R1607 V1608 R1609 | D1603-S1605 VanDerWaalsContact C-N 3.26Å; D1603-S1605 PolarHBondContact O-N 3.11Å; D1603-S1605 WeakPolarHBondContact OD1-CB 3.31Å; D1603-S1605 PolarHBondContact OD1-N 3.48Å; S1605-R1607 PolarHBondContact O-N 3.35Å; S1605-V1608 WeakPolarHBondContact O-CB 3.38Å; S1605-V1608 PolarHBondContact O-N 3.48Å; S1605-V1608 VanDerWaalsContact O-N 3.08Å; S1605-R1609 PolarHBondContact O-N 3.1Å; S1605-R1609 VanDerWaalsContact O-N 3.16Å | ||
| 1606 | S | 84.8 | Confident | 89.7 | Confident | 24 Ų | 24 | 27.8 Ų | 27.8 | 17% | 0.168 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60 | -34.6 | 176.4 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | V1608 R1609 T1610 D1648 V1651 | S1606-V1608 VanDerWaalsContact C-N 3.35Å; S1606-V1608 PolarHBondContact O-N 2.93Å; S1606-R1609 PolarHBondContact O-N 3.45Å; S1606-R1609 VanDerWaalsContact O-N 3.16Å; S1606-T1610 PolarHBondContact O-N 2.89Å; S1606-T1610 PolarHBondContact O-OG1 3.48Å; S1606-T1610 VanDerWaalsContact O-OG1 3.09Å; S1606-D1648 WeakPolarHBondContact CB-OD2 3.34Å; S1606-D1648 PolarHBondContact OG-OD2 3.43Å; S1606-V1651 VanDerWaalsContact O-CG2 3.3Å; S1606-V1651 WeakPolarHBondContact O-CG2 3.4Å |
| 1607 | R | 81.4 | Confident | 89.3 | Confident | 56 Ų | 56 | 28 Ų | 28 | 21% | 0.211 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -39.3 | 174.1 | -67.9 | -175.7 | 175.7 | 154.8 | 2 | 112.9 | S1328 Q1569 S1605 T1610 N1611 | S1328-R1607 PolarHBondContact O-NH1 3.09Å; S1328-R1607 VanDerWaalsContact O-NH1 3.15Å; Q1569-R1607 HydrophobicContact CG-CB 4.12Å; Q1569-R1607 VanDerWaalsContact OE1-CB 3.24Å; S1605-R1607 PolarHBondContact O-N 3.35Å; R1607-T1610 PolarHBondContact O-N 3.27Å; R1607-N1611 PolarHBondContact O-N 3.4Å |
| 1608 | V | 87.3 | Confident | 88.9 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63 | -45.4 | 174.2 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | S1565 R1568 Q1569 L1572 L1599 D1603 S1605 S1606 T1610 N1611 A1612 | S1565-V1608 WeakPolarHBondContact O-CG2 3.45Å; R1568-V1608 HydrophobicContact CB-CG1 4.28Å; R1568-V1608 HydrophobicContact CB-CG2 4.26Å; Q1569-V1608 HydrophobicContact CG-CB 4.38Å; Q1569-V1608 HydrophobicContact CG-CG2 3.65Å; L1572-V1608 HydrophobicContact CD1-CG1 3.71Å; L1572-V1608 WeakPolarHBondContact CD1-O 3.44Å; L1599-V1608 HydrophobicContact CB-CG1 4.24Å; L1599-V1608 HydrophobicContact CD2-CG1 4.34Å; D1603-V1608 HydrophobicContact CB-CB 4.28Å; D1603-V1608 HydrophobicContact CB-CG1 4.01Å; S1605-V1608 WeakPolarHBondContact O-CB 3.38Å; S1605-V1608 PolarHBondContact O-N 3.48Å; S1605-V1608 VanDerWaalsContact O-N 3.08Å; S1606-V1608 VanDerWaalsContact C-N 3.35Å; S1606-V1608 PolarHBondContact O-N 2.93Å; V1608-T1610 PolarHBondContact O-N 2.97Å; V1608-N1611 PolarHBondContact O-N 3.12Å; V1608-A1612 WeakPolarHBondContact O-CB 3.43Å; V1608-A1612 PolarHBondContact O-N 2.88Å |
| 1609 | R | 91.9 | Very high | 88.6 | Confident | 34 Ų | 34 | 27.5 Ų | 27.5 | 13% | 0.128 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 178.7 | -57.6 | -162.5 | -58.1 | -86.3 | 2.8 | 112.1 | L1599 L1600 D1603 S1604 S1605 S1606 A1612 A1613 D1646 V1651 | L1599-R1609 WeakPolarHBondContact O-CG 3.34Å; L1600-R1609 VanDerWaalsContact CD1-O 3.29Å; L1600-R1609 WeakPolarHBondContact CD1-O 3.41Å; L1600-R1609 VanDerWaalsContact O-CD 3.24Å; L1600-R1609 WeakPolarHBondContact O-CD 3.27Å; D1603-R1609 HydrophobicContact CB-CG 4.22Å; D1603-R1609 WeakPolarHBondContact O-CD 3.24Å; D1603-R1609 PolarHBondContact O-NH1 2.93Å; S1604-R1609 PolarHBondContact O-NH1 3.39Å; S1605-R1609 PolarHBondContact O-N 3.1Å; S1605-R1609 VanDerWaalsContact O-N 3.16Å; S1606-R1609 PolarHBondContact O-N 3.45Å; S1606-R1609 VanDerWaalsContact O-N 3.16Å; R1609-A1612 PolarHBondContact O-N 3.32Å; R1609-A1613 PolarHBondContact O-N 3.41Å; R1609-D1646 IonicContact CZ-OD1 3.73Å; R1609-D1646 IonicContact CZ-OD2 3.45Å; R1609-D1646 IonicContact NE-OD1 3.74Å; R1609-D1646 IonicContact NE-OD2 2.75Å; R1609-D1646 PolarHBondContact NE-OD2 3.29Å; R1609-D1646 IonicContact NH2-OD1 2.84Å; R1609-D1646 PolarHBondContact NH2-OD1 3.33Å; R1609-D1646 IonicContact NH2-OD2 3.34Å; R1609-D1646 PolarHBondContact NH2-OD2 3Å; R1609-V1651 HydrophobicContact CB-CB 4.47Å; R1609-V1651 HydrophobicContact CB-CG1 3.55Å; R1609-V1651 HydrophobicContact CB-CG2 3.98Å |
| 1610 | T | 87.4 | Confident | 88.2 | Confident | 4 Ų | 4 | 28.1 Ų | 28.1 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.7 | -46.7 | 173.6 | -59.5 | 0 | 0 | 0 | 0 | 112 | S1606 R1607 V1608 A1612 A1613 T1614 V1651 A1654 | S1606-T1610 PolarHBondContact O-N 2.89Å; S1606-T1610 PolarHBondContact O-OG1 3.48Å; S1606-T1610 VanDerWaalsContact O-OG1 3.09Å; R1607-T1610 PolarHBondContact O-N 3.27Å; V1608-T1610 PolarHBondContact O-N 2.97Å; T1610-A1612 PolarHBondContact O-N 3Å; T1610-A1613 WeakPolarHBondContact O-CB 3.28Å; T1610-A1613 PolarHBondContact O-N 3.27Å; T1610-T1614 PolarHBondContact O-N 2.99Å; T1610-T1614 PolarHBondContact O-OG1 2.87Å; T1610-V1651 WeakPolarHBondContact OG1-CG2 3.46Å; T1610-A1654 HydrophobicContact CG2-CB 3.75Å |
| 1611 | N | 86 | Confident | 87.5 | Confident | 10 Ų | 10 | 31.6 Ų | 31.6 | 5% | 0.053 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.1 | -36.8 | 176.5 | -84.9 | -3 | 0 | 0 | 0 | 112.7 | T1511 Q1569 L1572 R1607 V1608 T1614 C1615 | T1511-N1611 VanDerWaalsContact CB-OD1 3.26Å; T1511-N1611 WeakPolarHBondContact CB-OD1 3.4Å; T1511-N1611 VanDerWaalsContact CG2-CG 3.45Å; T1511-N1611 WeakPolarHBondContact CG2-OD1 3.34Å; Q1569-N1611 PolarHBondContact O-ND2 3.19Å; L1572-N1611 HydrophobicContact CB-CB 3.88Å; L1572-N1611 HydrophobicContact CD1-CB 4.15Å; R1607-N1611 PolarHBondContact O-N 3.4Å; V1608-N1611 PolarHBondContact O-N 3.12Å; N1611-T1614 PolarHBondContact O-N 3.47Å; N1611-C1615 WeakPolarHBondContact O-CB 3.39Å; N1611-C1615 PolarHBondContact O-N 3.45Å |
| 1612 | A | 92.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | L1572 I1596 L1600 V1608 R1609 T1610 C1615 L1616 | L1572-A1612 HydrophobicContact CD1-CB 3.9Å; L1572-A1612 HydrophobicContact CD2-CB 4.25Å; I1596-A1612 HydrophobicContact CG2-CB 4.26Å; L1600-A1612 HydrophobicContact CB-CB 3.9Å; L1600-A1612 HydrophobicContact CD1-CB 4.38Å; V1608-A1612 WeakPolarHBondContact O-CB 3.43Å; V1608-A1612 PolarHBondContact O-N 2.88Å; R1609-A1612 PolarHBondContact O-N 3.32Å; T1610-A1612 PolarHBondContact O-N 3Å; A1612-C1615 PolarHBondContact O-N 3.03Å; A1612-L1616 VanDerWaalsContact O-CG 3.25Å; A1612-L1616 WeakPolarHBondContact O-CG 3.43Å; A1612-L1616 PolarHBondContact O-N 3.3Å |
| 1613 | A | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.9 | -50.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1600 R1609 T1610 C1615 L1616 G1617 L1639 A1654 A1655 A1658 | L1600-A1613 HydrophobicContact CD1-CB 3.77Å; R1609-A1613 PolarHBondContact O-N 3.41Å; T1610-A1613 WeakPolarHBondContact O-CB 3.28Å; T1610-A1613 PolarHBondContact O-N 3.27Å; A1613-C1615 PolarHBondContact O-N 2.93Å; A1613-L1616 PolarHBondContact O-N 2.86Å; A1613-G1617 PolarHBondContact O-N 3.5Å; A1613-L1639 HydrophobicContact CB-CD2 4.16Å; A1613-A1654 HydrophobicContact CB-CB 3.94Å; A1613-A1655 HydrophobicContact CB-CB 4.15Å; A1613-A1658 WeakPolarHBondContact O-CB 3.02Å |
| 1614 | T | 86.1 | Confident | 86.7 | Confident | 46 Ų | 46 | 28.5 Ų | 28.5 | 28% | 0.282 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.5 | -43.6 | -179.9 | -51.1 | 0 | 0 | 0 | 0 | 111.8 | T1610 N1611 L1616 G1617 N1618 | T1610-T1614 PolarHBondContact O-N 2.99Å; T1610-T1614 PolarHBondContact O-OG1 2.87Å; N1611-T1614 PolarHBondContact O-N 3.47Å; T1614-L1616 PolarHBondContact O-N 3.45Å; T1614-G1617 WeakPolarHBondContact O-CA 3.34Å; T1614-G1617 PolarHBondContact O-N 3.3Å; T1614-G1617 VanDerWaalsContact O-N 3.1Å; T1614-N1618 PolarHBondContact O-N 3.29Å; T1614-N1618 VanDerWaalsContact O-N 3.09Å |
| 1615 | C | 88.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.6 | -46 | 175.3 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | L1572 I1575 L1579 N1611 A1612 A1613 G1617 N1618 | L1572-C1615 PolarHBondContact O-SG 3.35Å; I1575-C1615 VanDerWaalsContact CG2-SG 3.58Å; L1579-C1615 VanDerWaalsContact CD1-O 3.32Å; L1579-C1615 WeakPolarHBondContact CD1-O 3.24Å; N1611-C1615 WeakPolarHBondContact O-CB 3.39Å; N1611-C1615 PolarHBondContact O-N 3.45Å; A1612-C1615 PolarHBondContact O-N 3.03Å; A1613-C1615 PolarHBondContact O-N 2.93Å; C1615-G1617 VanDerWaalsContact C-N 3.32Å; C1615-G1617 PolarHBondContact O-N 3.04Å; C1615-N1618 PolarHBondContact O-N 3.04Å |
| 1616 | L | 91 | Very high | 86.6 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.6 | -34.6 | 175 | -67.9 | 168.7 | 0 | 0 | 0 | 112.1 | L1593 I1596 L1600 A1612 A1613 T1614 N1618 M1619 V1635 L1639 | L1593-L1616 HydrophobicContact CD2-CD2 4.29Å; I1596-L1616 HydrophobicContact CB-CD2 4.4Å; I1596-L1616 HydrophobicContact CG2-CD1 4.12Å; I1596-L1616 HydrophobicContact CG2-CD2 3.72Å; I1596-L1616 HydrophobicContact CG2-CG 3.71Å; L1600-L1616 HydrophobicContact CD2-CD1 3.74Å; A1612-L1616 VanDerWaalsContact O-CG 3.25Å; A1612-L1616 WeakPolarHBondContact O-CG 3.43Å; A1612-L1616 PolarHBondContact O-N 3.3Å; A1613-L1616 PolarHBondContact O-N 2.86Å; T1614-L1616 PolarHBondContact O-N 3.45Å; L1616-N1618 VanDerWaalsContact C-N 3.34Å; L1616-N1618 PolarHBondContact O-N 3.25Å; L1616-M1619 HydrophobicContact CD2-CE 3.71Å; L1616-M1619 HydrophobicContact CD2-SD 4.03Å; L1616-M1619 WeakPolarHBondContact O-CB 3.48Å; L1616-M1619 WeakPolarHBondContact O-CG 3.45Å; L1616-M1619 PolarHBondContact O-N 3.23Å; L1616-V1635 HydrophobicContact CB-CG1 4.24Å; L1616-V1635 HydrophobicContact CD1-CG1 4.25Å; L1616-V1635 HydrophobicContact CD2-CG1 3.88Å; L1616-V1635 HydrophobicContact CD2-CG2 4.19Å; L1616-V1635 HydrophobicContact CG-CG1 4.34Å; L1616-L1639 HydrophobicContact CB-CD1 4.25Å; L1616-L1639 HydrophobicContact CB-CD2 4.36Å; L1616-L1639 HydrophobicContact CD1-CD2 4.24Å; L1616-L1639 HydrophobicContact CD1-CG 4.38Å |
| 1617 | G | 85.5 | Confident | 86.8 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 4% | 0.041 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.4 | -38.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1613 T1614 C1615 M1619 C1620 A1658 | A1613-G1617 PolarHBondContact O-N 3.5Å; T1614-G1617 WeakPolarHBondContact O-CA 3.34Å; T1614-G1617 PolarHBondContact O-N 3.3Å; T1614-G1617 VanDerWaalsContact O-N 3.1Å; C1615-G1617 VanDerWaalsContact C-N 3.32Å; C1615-G1617 PolarHBondContact O-N 3.04Å; G1617-M1619 PolarHBondContact O-N 3.21Å; G1617-M1619 VanDerWaalsContact O-N 3.11Å; G1617-C1620 WeakPolarHBondContact O-CB 3.47Å; G1617-C1620 PolarHBondContact O-N 2.99Å; G1617-C1620 VanDerWaalsContact O-N 3.11Å; G1617-C1620 PolarHBondContact O-SG 3.44Å; G1617-A1658 VanDerWaalsContact CA-CB 3.48Å |
| 1618 | N | 85.6 | Confident | 87.1 | Confident | 33 Ų | 33 | 29.8 Ų | 29.8 | 18% | 0.176 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -66.3 | -9.2 | 177.6 | -73.4 | -3.8 | 0 | 0 | 0 | 113.6 | G1576 L1579 T1614 C1615 L1616 C1620 Y1621 | G1576-N1618 PolarHBondContact O-ND2 3.2Å; L1579-N1618 HydrophobicContact CB-CB 3.96Å; T1614-N1618 PolarHBondContact O-N 3.29Å; T1614-N1618 VanDerWaalsContact O-N 3.09Å; C1615-N1618 PolarHBondContact O-N 3.04Å; L1616-N1618 VanDerWaalsContact C-N 3.34Å; L1616-N1618 PolarHBondContact O-N 3.25Å; N1618-C1620 PolarHBondContact O-N 3.38Å; N1618-C1620 VanDerWaalsContact O-N 3.16Å; N1618-Y1621 HydrophobicContact CB-CD2 4.45Å; N1618-Y1621 VanDerWaalsContact O-CD2 3.26Å; N1618-Y1621 WeakPolarHBondContact O-CD2 3.39Å; N1618-Y1621 PolarHBondContact O-N 3.34Å |
| 1619 | M | 86.9 | Confident | 87.2 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -65.4 | -15 | 170.5 | -62.2 | 177.2 | -176 | 0 | 0 | 112.7 | L1579 I1589 L1593 L1616 G1617 Y1621 H1622 I1623 L1626 V1630 L1662 | L1579-M1619 HydrophobicContact CD1-CE 3.64Å; L1579-M1619 HydrophobicContact CD1-CG 3.79Å; L1579-M1619 HydrophobicContact CD2-CG 4.24Å; I1589-M1619 HydrophobicContact CG2-CE 4.46Å; L1593-M1619 HydrophobicContact CD2-CE 3.18Å; L1593-M1619 HydrophobicContact CD2-SD 3.63Å; L1616-M1619 HydrophobicContact CD2-CE 3.71Å; L1616-M1619 HydrophobicContact CD2-SD 4.03Å; L1616-M1619 WeakPolarHBondContact O-CB 3.48Å; L1616-M1619 WeakPolarHBondContact O-CG 3.45Å; L1616-M1619 PolarHBondContact O-N 3.23Å; G1617-M1619 PolarHBondContact O-N 3.21Å; G1617-M1619 VanDerWaalsContact O-N 3.11Å; M1619-Y1621 PolarHBondContact O-N 2.99Å; M1619-Y1621 VanDerWaalsContact O-N 3.16Å; M1619-H1622 CarbonylContact O-C 3.5Å; M1619-H1622 PolarHBondContact O-N 3.42Å; M1619-H1622 VanDerWaalsContact O-N 3.11Å; M1619-I1623 WeakPolarHBondContact O-CA 3.19Å; M1619-I1623 PolarHBondContact O-N 3.49Å; M1619-L1626 HydrophobicContact CB-CD1 4.09Å; M1619-L1626 HydrophobicContact CG-CD1 4.07Å; M1619-V1630 HydrophobicContact SD-CG2 4.25Å; M1619-L1662 HydrophobicContact CB-CD2 4.2Å |
| 1620 | C | 84.2 | Confident | 87 | Confident | 19 Ų | 19 | 29.2 Ų | 29.2 | 13% | 0.128 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -56.1 | -28 | 175.7 | 66.3 | 0 | 0 | 0 | 0 | 113.6 | G1617 N1618 A1661 L1662 S1665 | G1617-C1620 WeakPolarHBondContact O-CB 3.47Å; G1617-C1620 PolarHBondContact O-N 2.99Å; G1617-C1620 VanDerWaalsContact O-N 3.11Å; G1617-C1620 PolarHBondContact O-SG 3.44Å; N1618-C1620 PolarHBondContact O-N 3.38Å; N1618-C1620 VanDerWaalsContact O-N 3.16Å; C1620-A1661 HydrophobicContact CB-CB 4.22Å; C1620-L1662 HydrophobicContact CB-CD2 4.11Å; C1620-S1665 WeakPolarHBondContact CB-OG 3.36Å; C1620-S1665 WeakPolarHBondContact O-CB 3.27Å |
| 1621 | Y | 81.1 | Confident | 87 | Confident | 72 Ų | 72 | 31.5 Ų | 31.5 | 28% | 0.282 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -74.5 | -22.9 | 179.4 | -62.2 | -73.2 | 0 | 0 | 0 | 113.8 | F1580 N1618 M1619 | F1580-Y1621 HydrophobicContact CB-CD2 4.5Å; F1580-Y1621 HydrophobicContact CD2-CD1 4.29Å; F1580-Y1621 AromaticContact CD2-CD2 3.63Å; F1580-Y1621 HydrophobicContact CD2-CD2 3.63Å; F1580-Y1621 AromaticContact CD2-CE1 3.96Å; F1580-Y1621 HydrophobicContact CD2-CE1 3.96Å; F1580-Y1621 AromaticContact CD2-CE2 3.27Å; F1580-Y1621 HydrophobicContact CD2-CE2 3.27Å; F1580-Y1621 HydrophobicContact CD2-CG 4.15Å; F1580-Y1621 AromaticContact CD2-CZ 3.44Å; F1580-Y1621 VanDerWaalsContact CD2-CZ 3.44Å; F1580-Y1621 HydrophobicContact CE2-CD1 4.45Å; F1580-Y1621 HydrophobicContact CE2-CD2 4.4Å; F1580-Y1621 AromaticContact CE2-CE1 3.78Å; F1580-Y1621 HydrophobicContact CE2-CE1 3.78Å; F1580-Y1621 AromaticContact CE2-CE2 3.74Å; F1580-Y1621 HydrophobicContact CE2-CE2 3.74Å; F1580-Y1621 AromaticContact CE2-CZ 3.37Å; F1580-Y1621 WeakPolarHBondContact CE2-OH 3.25Å; F1580-Y1621 HydrophobicContact CG-CE2 4.28Å; N1618-Y1621 HydrophobicContact CB-CD2 4.45Å; N1618-Y1621 VanDerWaalsContact O-CD2 3.26Å; N1618-Y1621 WeakPolarHBondContact O-CD2 3.39Å; N1618-Y1621 PolarHBondContact O-N 3.34Å; M1619-Y1621 PolarHBondContact O-N 2.99Å; M1619-Y1621 VanDerWaalsContact O-N 3.16Å |
| 1622 | H | 85.2 | Confident | 87.2 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -126.5 | 25.6 | -179 | -56.7 | -67.1 | 0 | 0 | 0 | 111.9 | L1579 N1583 C1586 M1619 D1624 Q1625 L1626 | L1579-H1622 PolarHBondContact O-CD2 3.18Å; L1579-H1622 PolarHBondContact O-NE2 3.5Å; L1579-H1622 VanDerWaalsContact O-NE2 3.12Å; N1583-H1622 WeakPolarHBondContact CA-CE1 3.5Å; N1583-H1622 PolarHBondContact OD1-ND1 3.26Å; C1586-H1622 HydrophobicContact CB-CB 4.45Å; M1619-H1622 CarbonylContact O-C 3.5Å; M1619-H1622 PolarHBondContact O-N 3.42Å; M1619-H1622 VanDerWaalsContact O-N 3.11Å; H1622-D1624 PolarHBondContact O-N 2.86Å; H1622-Q1625 PolarHBondContact O-N 3.16Å; H1622-L1626 HydrophobicContact CB-CD1 4.02Å; H1622-L1626 HydrophobicContact CB-CG 4.38Å; H1622-L1626 PolarHBondContact O-N 3.27Å; H1622-L1626 VanDerWaalsContact O-N 3.09Å |
| 1623 | I | 86.5 | Confident | 87.1 | Confident | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.8 | -30.2 | -167.3 | -162.7 | 55.9 | 0 | 0 | 0 | 112.8 | M1619 Q1625 L1626 Y1627 V1630 L1662 H1666 I1669 | M1619-I1623 WeakPolarHBondContact O-CA 3.19Å; M1619-I1623 PolarHBondContact O-N 3.49Å; I1623-Q1625 PolarHBondContact O-N 3.16Å; I1623-L1626 PolarHBondContact O-N 3.15Å; I1623-Y1627 WeakPolarHBondContact O-CA 3.41Å; I1623-Y1627 VanDerWaalsContact O-CB 3.24Å; I1623-Y1627 WeakPolarHBondContact O-CB 3.29Å; I1623-Y1627 PolarHBondContact O-N 3.29Å; I1623-V1630 HydrophobicContact CD1-CG2 3.96Å; I1623-L1662 HydrophobicContact CD1-CD2 3.78Å; I1623-L1662 HydrophobicContact CG1-CD2 4.42Å; I1623-H1666 HydrophobicContact CG1-CB 4.03Å; I1623-H1666 HydrophobicContact CG2-CB 3.72Å; I1623-I1669 HydrophobicContact CD1-CD1 3.67Å; I1623-I1669 HydrophobicContact CG1-CD1 3.47Å; I1623-I1669 VanDerWaalsContact CG1-CD1 3.47Å |
| 1624 | D | 84.6 | Confident | 87.2 | Confident | 128 Ų | 128 | 48 Ų | 48 | 68% | 0.684 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60 | -32.5 | 176.6 | -67.5 | -26.4 | 0 | 0 | 0 | 112.4 | H1622 H1666 | H1622-D1624 PolarHBondContact O-N 2.86Å; D1624-H1666 IonicContact OD1-CD2 3.78Å; D1624-H1666 PolarHBondContact OD1-CD2 3.18Å; D1624-H1666 IonicContact OD1-NE2 2.77Å; D1624-H1666 PolarHBondContact OD1-NE2 3.04Å |
| 1625 | Q | 84.3 | Confident | 87.5 | Confident | 92 Ų | 92 | 45.9 Ų | 45.9 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -90.9 | -29.3 | 178.2 | -62.7 | 173 | 21.4 | 0 | 0 | 112.3 | N1583 H1622 I1623 | N1583-Q1625 PolarHBondContact ND2-NE2 3.42Å; N1583-Q1625 PolarHBondContact OD1-NE2 3.08Å; N1583-Q1625 PolarHBondContact OD1-OE1 3.11Å; H1622-Q1625 PolarHBondContact O-N 3.16Å; I1623-Q1625 PolarHBondContact O-N 3.16Å |
| 1626 | L | 87.4 | Confident | 87.7 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -95.9 | -9.4 | -174.4 | -63.7 | 176.4 | 0 | 0 | 0 | 113.9 | L1579 V1590 M1619 H1622 I1623 D1628 S1629 V1630 | L1579-L1626 HydrophobicContact CD2-CD1 4.05Å; V1590-L1626 HydrophobicContact CG2-CD2 3.57Å; M1619-L1626 HydrophobicContact CB-CD1 4.09Å; M1619-L1626 HydrophobicContact CG-CD1 4.07Å; H1622-L1626 HydrophobicContact CB-CD1 4.02Å; H1622-L1626 HydrophobicContact CB-CG 4.38Å; H1622-L1626 PolarHBondContact O-N 3.27Å; H1622-L1626 VanDerWaalsContact O-N 3.09Å; I1623-L1626 PolarHBondContact O-N 3.15Å; L1626-D1628 PolarHBondContact O-N 3.19Å; L1626-S1629 WeakPolarHBondContact O-CA 3.13Å; L1626-S1629 WeakPolarHBondContact O-CB 3.29Å; L1626-S1629 PolarHBondContact O-N 2.89Å; L1626-V1630 HydrophobicContact CB-CG2 4.37Å; L1626-V1630 WeakPolarHBondContact O-CG2 3.37Å; L1626-V1630 PolarHBondContact O-N 3.49Å |
| 1627 | Y | 89.4 | Confident | 87.7 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 11% | 0.106 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -51.5 | -49.5 | -172.5 | 176.9 | -100.5 | 0 | 0 | 0 | 113.1 | I1623 S1629 V1630 C1631 H1666 R1668 I1669 D1672 | I1623-Y1627 WeakPolarHBondContact O-CA 3.41Å; I1623-Y1627 VanDerWaalsContact O-CB 3.24Å; I1623-Y1627 WeakPolarHBondContact O-CB 3.29Å; I1623-Y1627 PolarHBondContact O-N 3.29Å; Y1627-S1629 VanDerWaalsContact C-N 3.28Å; Y1627-S1629 PolarHBondContact O-N 3.41Å; Y1627-V1630 WeakPolarHBondContact O-CB 3.26Å; Y1627-V1630 PolarHBondContact O-N 2.83Å; Y1627-C1631 VanDerWaalsContact CZ-SG 3.56Å; Y1627-C1631 PolarHBondContact O-N 2.92Å; Y1627-C1631 PolarHBondContact O-SG 3.07Å; Y1627-C1631 VanDerWaalsContact O-SG 3.41Å; Y1627-H1666 AromaticContact CD2-ND1 3.76Å; Y1627-R1668 HydrophobicContact CD2-CB 4.39Å; Y1627-R1668 HydrophobicContact CE1-CB 4.24Å; Y1627-R1668 HydrophobicContact CE2-CB 3.55Å; Y1627-R1668 VanDerWaalsContact CZ-CB 3.46Å; Y1627-R1668 WeakPolarHBondContact OH-CB 3.38Å; Y1627-I1669 HydrophobicContact CD2-CD1 4.5Å; Y1627-I1669 HydrophobicContact CD2-CG1 3.94Å; Y1627-I1669 HydrophobicContact CE2-CG1 3.87Å; Y1627-D1672 PolarHBondContact OH-OD2 3.15Å |
| 1628 | D | 88.6 | Confident | 88.1 | Confident | 122 Ų | 122 | 49.6 Ų | 49.6 | 65% | 0.652 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.1 | -37.2 | -179.8 | -69.5 | -18.3 | 0 | 0 | 0 | 112 | L1626 K1632 | L1626-D1628 PolarHBondContact O-N 3.19Å; D1628-K1632 WeakPolarHBondContact O-CB 3.47Å; D1628-K1632 PolarHBondContact O-N 3.43Å |
| 1629 | S | 88.5 | Confident | 88.5 | Confident | 22 Ų | 22 | 48 Ų | 48 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.9 | -40 | 176.8 | -60 | 0 | 0 | 0 | 0 | 112.1 | V1590 L1626 Y1627 C1631 K1632 H1633 | V1590-S1629 WeakPolarHBondContact CG1-OG 3.42Å; L1626-S1629 WeakPolarHBondContact O-CA 3.13Å; L1626-S1629 WeakPolarHBondContact O-CB 3.29Å; L1626-S1629 PolarHBondContact O-N 2.89Å; Y1627-S1629 VanDerWaalsContact C-N 3.28Å; Y1627-S1629 PolarHBondContact O-N 3.41Å; S1629-C1631 VanDerWaalsContact C-N 3.33Å; S1629-C1631 PolarHBondContact O-N 3.35Å; S1629-K1632 PolarHBondContact O-N 2.66Å; S1629-H1633 PolarHBondContact O-CD2 3.14Å; S1629-H1633 VanDerWaalsContact O-CD2 3.29Å; S1629-H1633 PolarHBondContact O-N 2.69Å |
| 1630 | V | 87.5 | Confident | 88.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 174.7 | 166.9 | 0 | 0 | 0 | 0 | 110.5 | M1619 I1623 L1626 Y1627 K1634 V1635 L1636 | M1619-V1630 HydrophobicContact SD-CG2 4.25Å; I1623-V1630 HydrophobicContact CD1-CG2 3.96Å; L1626-V1630 HydrophobicContact CB-CG2 4.37Å; L1626-V1630 WeakPolarHBondContact O-CG2 3.37Å; L1626-V1630 PolarHBondContact O-N 3.49Å; Y1627-V1630 WeakPolarHBondContact O-CB 3.26Å; Y1627-V1630 PolarHBondContact O-N 2.83Å; V1630-K1634 PolarHBondContact O-N 3.24Å; V1630-V1635 HydrophobicContact CG1-CB 3.96Å; V1630-V1635 HydrophobicContact CG1-CG1 4.32Å; V1630-V1635 PolarHBondContact O-N 3.36Å; V1630-V1635 VanDerWaalsContact O-N 3.12Å; V1630-L1636 HydrophobicContact CG1-CD2 4.25Å; V1630-L1636 HydrophobicContact CG1-CG 4.02Å |
| 1631 | C | 88.5 | Confident | 89.1 | Confident | 52 Ų | 52 | 50.5 Ų | 50.5 | 35% | 0.351 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.1 | -49 | 175.6 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | Y1627 S1629 H1633 K1634 | Y1627-C1631 VanDerWaalsContact CZ-SG 3.56Å; Y1627-C1631 PolarHBondContact O-N 2.92Å; Y1627-C1631 PolarHBondContact O-SG 3.07Å; Y1627-C1631 VanDerWaalsContact O-SG 3.41Å; S1629-C1631 VanDerWaalsContact C-N 3.33Å; S1629-C1631 PolarHBondContact O-N 3.35Å; C1631-H1633 VanDerWaalsContact C-N 3.26Å; C1631-H1633 PolarHBondContact O-N 3.5Å; C1631-K1634 PolarHBondContact O-N 2.9Å; C1631-K1634 VanDerWaalsContact O-N 3.17Å |
| 1632 | K | 89 | Confident | 89.6 | Confident | 163 Ų | 163 | 47.5 Ų | 47.5 | 71% | 0.709 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -56.4 | -38.3 | -178.8 | -178.4 | -178.6 | 178.6 | -176.2 | 0 | 112.9 | D1628 S1629 | D1628-K1632 WeakPolarHBondContact O-CB 3.47Å; D1628-K1632 PolarHBondContact O-N 3.43Å; S1629-K1632 PolarHBondContact O-N 2.66Å |
| 1633 | H | 90.4 | Very high | 89.8 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 22% | 0.218 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 12.9 | -176.9 | -64.5 | -59.7 | 0 | 0 | 0 | 114.3 | L1593 S1629 C1631 V1635 | L1593-H1633 HydrophobicContact CB-CB 4.31Å; S1629-H1633 PolarHBondContact O-CD2 3.14Å; S1629-H1633 VanDerWaalsContact O-CD2 3.29Å; S1629-H1633 PolarHBondContact O-N 2.69Å; C1631-H1633 VanDerWaalsContact C-N 3.26Å; C1631-H1633 PolarHBondContact O-N 3.5Å; H1633-V1635 HydrophobicContact CB-CG2 4.44Å; H1633-V1635 PolarHBondContact O-N 3.28Å |
| 1634 | K | 92 | Very high | 89.9 | Confident | 148 Ų | 148 | 47.1 Ų | 47.1 | 64% | 0.643 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 32.1 | 175.5 | -56.3 | -176.4 | 179.4 | -179.5 | 0 | 114.2 | V1630 C1631 L1636 H1637 A1638 | V1630-K1634 PolarHBondContact O-N 3.24Å; C1631-K1634 PolarHBondContact O-N 2.9Å; C1631-K1634 VanDerWaalsContact O-N 3.17Å; K1634-L1636 VanDerWaalsContact C-N 3.32Å; K1634-L1636 PolarHBondContact O-N 3.49Å; K1634-H1637 HydrophobicContact CB-CB 4.24Å; K1634-H1637 WeakPolarHBondContact O-CB 3.45Å; K1634-H1637 PolarHBondContact O-N 3.44Å; K1634-H1637 VanDerWaalsContact O-N 3.14Å; K1634-A1638 PolarHBondContact O-N 2.89Å; K1634-A1638 VanDerWaalsContact O-N 3.08Å |
| 1635 | V | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.3 | -44.8 | -177.8 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | V1597 L1616 V1630 H1633 H1637 A1638 L1639 | V1597-V1635 HydrophobicContact CG2-CG2 3.78Å; L1616-V1635 HydrophobicContact CB-CG1 4.24Å; L1616-V1635 HydrophobicContact CD1-CG1 4.25Å; L1616-V1635 HydrophobicContact CD2-CG1 3.88Å; L1616-V1635 HydrophobicContact CD2-CG2 4.19Å; L1616-V1635 HydrophobicContact CG-CG1 4.34Å; V1630-V1635 HydrophobicContact CG1-CB 3.96Å; V1630-V1635 HydrophobicContact CG1-CG1 4.32Å; V1630-V1635 PolarHBondContact O-N 3.36Å; V1630-V1635 VanDerWaalsContact O-N 3.12Å; H1633-V1635 HydrophobicContact CB-CG2 4.44Å; H1633-V1635 PolarHBondContact O-N 3.28Å; V1635-H1637 VanDerWaalsContact C-N 3.31Å; V1635-H1637 PolarHBondContact O-N 3.28Å; V1635-A1638 PolarHBondContact O-N 3.18Å; V1635-L1639 HydrophobicContact CG1-CD1 4.02Å; V1635-L1639 PolarHBondContact O-N 3.44Å |
| 1636 | L | 92.7 | Very high | 90.3 | Very high | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.2 | -35.9 | 179.9 | -59.9 | 176.3 | 0 | 0 | 0 | 112.8 | V1630 K1634 L1640 L1659 L1662 I1669 D1672 L1673 M1676 | V1630-L1636 HydrophobicContact CG1-CD2 4.25Å; V1630-L1636 HydrophobicContact CG1-CG 4.02Å; K1634-L1636 VanDerWaalsContact C-N 3.32Å; K1634-L1636 PolarHBondContact O-N 3.49Å; L1636-L1640 VanDerWaalsContact O-CB 3.3Å; L1636-L1640 WeakPolarHBondContact O-CB 3.3Å; L1636-L1640 PolarHBondContact O-N 3.13Å; L1636-L1640 VanDerWaalsContact O-N 3.14Å; L1636-L1659 HydrophobicContact CD2-CD1 4.29Å; L1636-L1662 HydrophobicContact CD2-CB 4.46Å; L1636-L1662 HydrophobicContact CD2-CD1 4.06Å; L1636-I1669 HydrophobicContact CD1-CB 4.5Å; L1636-I1669 HydrophobicContact CD1-CG1 4.39Å; L1636-I1669 HydrophobicContact CD1-CG2 3.94Å; L1636-I1669 HydrophobicContact CD2-CG2 3.69Å; L1636-I1669 HydrophobicContact CG-CG2 4.49Å; L1636-D1672 HydrophobicContact CD1-CB 4.14Å; L1636-L1673 HydrophobicContact CB-CD2 4.44Å; L1636-M1676 HydrophobicContact CB-CE 3.71Å |
| 1637 | H | 92.4 | Very high | 90 | Very high | 71 Ų | 71 | 47.8 Ų | 47.8 | 33% | 0.329 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.3 | -45.5 | 177.1 | -176.3 | -84.5 | 0 | 0 | 0 | 110.9 | K1634 V1635 L1640 E1641 M1676 | K1634-H1637 HydrophobicContact CB-CB 4.24Å; K1634-H1637 WeakPolarHBondContact O-CB 3.45Å; K1634-H1637 PolarHBondContact O-N 3.44Å; K1634-H1637 VanDerWaalsContact O-N 3.14Å; V1635-H1637 VanDerWaalsContact C-N 3.31Å; V1635-H1637 PolarHBondContact O-N 3.28Å; H1637-L1640 PolarHBondContact O-N 3.23Å; H1637-E1641 IonicContact CE1-OE1 3.36Å; H1637-E1641 PolarHBondContact CE1-OE1 3.37Å; H1637-E1641 IonicContact CE1-OE2 3.32Å; H1637-E1641 PolarHBondContact CE1-OE2 2.96Å; H1637-E1641 IonicContact ND1-OE1 3.63Å; H1637-E1641 IonicContact ND1-OE2 3.49Å; H1637-E1641 PolarHBondContact ND1-OE2 3.41Å; H1637-E1641 IonicContact NE2-OE1 3.08Å; H1637-E1641 PolarHBondContact O-N 2.89Å; H1637-M1676 HydrophobicContact CB-SD 4.23Å |
| 1638 | A | 93.2 | Very high | 89.7 | Confident | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1597 L1600 T1601 K1634 V1635 L1640 E1641 T1642 | V1597-A1638 HydrophobicContact CG1-CB 3.69Å; L1600-A1638 HydrophobicContact CD2-CB 4.12Å; T1601-A1638 HydrophobicContact CG2-CB 3.98Å; K1634-A1638 PolarHBondContact O-N 2.89Å; K1634-A1638 VanDerWaalsContact O-N 3.08Å; V1635-A1638 PolarHBondContact O-N 3.18Å; A1638-L1640 VanDerWaalsContact C-N 3.32Å; A1638-L1640 PolarHBondContact O-N 2.98Å; A1638-E1641 PolarHBondContact O-N 3.36Å; A1638-T1642 WeakPolarHBondContact O-CB 3.45Å; A1638-T1642 PolarHBondContact O-N 3.21Å; A1638-T1642 PolarHBondContact O-OG1 3.46Å |
| 1639 | L | 93.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -40.6 | 176.2 | -74.4 | 171.9 | 0 | 0 | 0 | 112.5 | L1600 A1613 L1616 V1635 G1643 A1655 A1658 L1659 L1662 | L1600-L1639 HydrophobicContact CD2-CD2 3.74Å; L1600-L1639 HydrophobicContact CD2-CG 4.16Å; A1613-L1639 HydrophobicContact CB-CD2 4.16Å; L1616-L1639 HydrophobicContact CB-CD1 4.25Å; L1616-L1639 HydrophobicContact CB-CD2 4.36Å; L1616-L1639 HydrophobicContact CD1-CD2 4.24Å; L1616-L1639 HydrophobicContact CD1-CG 4.38Å; V1635-L1639 HydrophobicContact CG1-CD1 4.02Å; V1635-L1639 PolarHBondContact O-N 3.44Å; L1639-G1643 PolarHBondContact O-N 3.06Å; L1639-A1655 HydrophobicContact CD2-CB 4.26Å; L1639-A1658 HydrophobicContact CD1-CB 4.21Å; L1639-A1658 HydrophobicContact CD2-CB 3.9Å; L1639-L1659 HydrophobicContact CB-CD1 4.04Å; L1639-L1662 HydrophobicContact CD1-CD1 3.65Å |
| 1640 | L | 93.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.1 | -45.5 | 178 | 178.8 | 61.8 | 0 | 0 | 0 | 112.2 | L1636 H1637 A1638 G1643 C1644 L1659 M1676 T1678 K1681 L1682 | L1636-L1640 VanDerWaalsContact O-CB 3.3Å; L1636-L1640 WeakPolarHBondContact O-CB 3.3Å; L1636-L1640 PolarHBondContact O-N 3.13Å; L1636-L1640 VanDerWaalsContact O-N 3.14Å; H1637-L1640 PolarHBondContact O-N 3.23Å; A1638-L1640 VanDerWaalsContact C-N 3.32Å; A1638-L1640 PolarHBondContact O-N 2.98Å; L1640-G1643 PolarHBondContact O-N 3.3Å; L1640-C1644 WeakPolarHBondContact O-CB 3.44Å; L1640-C1644 PolarHBondContact O-N 2.58Å; L1640-C1644 PolarHBondContact O-SG 3.4Å; L1640-C1644 VanDerWaalsContact O-SG 3.34Å; L1640-L1659 HydrophobicContact CB-CD2 4.29Å; L1640-L1659 HydrophobicContact CD1-CD2 4Å; L1640-M1676 HydrophobicContact CD2-CB 4.44Å; L1640-T1678 HydrophobicContact CD1-CG2 3.7Å; L1640-T1678 HydrophobicContact CD2-CG2 4.31Å; L1640-T1678 VanDerWaalsContact CD2-OG1 3.24Å; L1640-T1678 WeakPolarHBondContact CD2-OG1 3.36Å; L1640-K1681 HydrophobicContact CD2-CD 4.04Å; L1640-K1681 HydrophobicContact CG-CD 4.28Å; L1640-L1682 HydrophobicContact CD1-CD2 4.14Å; L1640-L1682 HydrophobicContact CD1-CG 4.29Å |
| 1641 | E | 91.8 | Very high | 88.9 | Confident | 71 Ų | 71 | 49.2 Ų | 49.2 | 33% | 0.332 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.2 | -47 | 178.5 | -75.9 | -166.4 | 151.4 | 0 | 0 | 112 | H1637 A1638 G1643 C1644 L1645 | H1637-E1641 IonicContact CE1-OE1 3.36Å; H1637-E1641 PolarHBondContact CE1-OE1 3.37Å; H1637-E1641 IonicContact CE1-OE2 3.32Å; H1637-E1641 PolarHBondContact CE1-OE2 2.96Å; H1637-E1641 IonicContact ND1-OE1 3.63Å; H1637-E1641 IonicContact ND1-OE2 3.49Å; H1637-E1641 PolarHBondContact ND1-OE2 3.41Å; H1637-E1641 IonicContact NE2-OE1 3.08Å; H1637-E1641 PolarHBondContact O-N 2.89Å; A1638-E1641 PolarHBondContact O-N 3.36Å; E1641-G1643 VanDerWaalsContact C-N 3.32Å; E1641-G1643 PolarHBondContact O-N 3.42Å; E1641-C1644 PolarHBondContact O-N 2.81Å; E1641-L1645 VanDerWaalsContact O-CB 3.25Å; E1641-L1645 WeakPolarHBondContact O-CB 3.35Å; E1641-L1645 WeakPolarHBondContact O-CG 3.47Å; E1641-L1645 PolarHBondContact O-N 2.94Å |
| 1642 | T | 91.5 | Very high | 88.9 | Confident | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -43 | 175.8 | -57.6 | 0 | 0 | 0 | 0 | 111 | L1600 A1638 C1644 L1645 D1646 V1651 A1655 | L1600-T1642 HydrophobicContact CD1-CG2 3.82Å; L1600-T1642 HydrophobicContact CG-CG2 4.25Å; A1638-T1642 WeakPolarHBondContact O-CB 3.45Å; A1638-T1642 PolarHBondContact O-N 3.21Å; A1638-T1642 PolarHBondContact O-OG1 3.46Å; T1642-C1644 VanDerWaalsContact C-N 3.29Å; T1642-C1644 PolarHBondContact O-N 3.48Å; T1642-L1645 PolarHBondContact O-N 2.9Å; T1642-D1646 HydrophobicContact CG2-CB 3.91Å; T1642-D1646 VanDerWaalsContact O-CB 3.22Å; T1642-D1646 WeakPolarHBondContact O-CB 3.27Å; T1642-D1646 PolarHBondContact O-N 3.05Å; T1642-V1651 HydrophobicContact CG2-CG1 3.43Å; T1642-V1651 VanDerWaalsContact CG2-CG1 3.43Å; T1642-A1655 HydrophobicContact CG2-CB 4.18Å |
| 1643 | G | 88.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.7 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1639 L1640 E1641 M1685 | L1639-G1643 PolarHBondContact O-N 3.06Å; L1640-G1643 PolarHBondContact O-N 3.3Å; E1641-G1643 VanDerWaalsContact C-N 3.32Å; E1641-G1643 PolarHBondContact O-N 3.42Å; G1643-M1685 WeakPolarHBondContact O-CE 3.15Å |
| 1644 | C | 88.9 | Confident | 88.5 | Confident | 20 Ų | 20 | 40.4 Ų | 40.4 | 14% | 0.135 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -87.6 | -29.5 | -178.7 | -68.6 | 0 | 0 | 0 | 0 | 114.7 | L1640 E1641 T1642 | L1640-C1644 WeakPolarHBondContact O-CB 3.44Å; L1640-C1644 PolarHBondContact O-N 2.58Å; L1640-C1644 PolarHBondContact O-SG 3.4Å; L1640-C1644 VanDerWaalsContact O-SG 3.34Å; E1641-C1644 PolarHBondContact O-N 2.81Å; T1642-C1644 VanDerWaalsContact C-N 3.29Å; T1642-C1644 PolarHBondContact O-N 3.48Å |
| 1645 | L | 88.1 | Confident | 88.4 | Confident | 132 Ų | 132 | 33.4 Ų | 33.4 | 69% | 0.691 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -122.6 | -13.1 | -162.3 | -57.6 | 175.5 | 0 | 0 | 0 | 115 | E1641 T1642 | E1641-L1645 VanDerWaalsContact O-CB 3.25Å; E1641-L1645 WeakPolarHBondContact O-CB 3.35Å; E1641-L1645 WeakPolarHBondContact O-CG 3.47Å; E1641-L1645 PolarHBondContact O-N 2.94Å; T1642-L1645 PolarHBondContact O-N 2.9Å |
| 1646 | D | 88.2 | Confident | 88.3 | Confident | 21 Ų | 21 | 33.4 Ų | 33.4 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | trans | -64.5 | 142.2 | -177.4 | -159.1 | -68.5 | 0 | 0 | 0 | 111.5 | R1609 T1642 D1648 V1651 Q1652 | R1609-D1646 IonicContact CZ-OD1 3.73Å; R1609-D1646 IonicContact CZ-OD2 3.45Å; R1609-D1646 IonicContact NE-OD1 3.74Å; R1609-D1646 IonicContact NE-OD2 2.75Å; R1609-D1646 PolarHBondContact NE-OD2 3.29Å; R1609-D1646 IonicContact NH2-OD1 2.84Å; R1609-D1646 PolarHBondContact NH2-OD1 3.33Å; R1609-D1646 IonicContact NH2-OD2 3.34Å; R1609-D1646 PolarHBondContact NH2-OD2 3Å; T1642-D1646 HydrophobicContact CG2-CB 3.91Å; T1642-D1646 VanDerWaalsContact O-CB 3.22Å; T1642-D1646 WeakPolarHBondContact O-CB 3.27Å; T1642-D1646 PolarHBondContact O-N 3.05Å; D1646-D1648 VanDerWaalsContact C-N 3.33Å; D1646-D1648 PolarHBondContact OD1-N 3.38Å; D1646-V1651 HydrophobicContact CB-CB 4.25Å; D1646-V1651 HydrophobicContact CB-CG1 4.26Å; D1646-Q1652 HydrophobicContact CB-CG 4.08Å; D1646-Q1652 PolarHBondContact O-NE2 2.72Å | ||
| 1647 | G | 83 | Confident | 88 | Confident | 84 Ų | 84 | 34.6 Ų | 34.6 | 87% | 0.866 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -75.3 | -19.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1648 | D | 81.8 | Confident | 87.8 | Confident | 31 Ų | 31 | 31.5 Ų | 31.5 | 17% | 0.166 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -99.4 | 118.8 | 177.9 | -166.7 | -45 | 0 | 0 | 0 | 110.6 | S1606 D1646 R1650 V1651 Q1652 | S1606-D1648 WeakPolarHBondContact CB-OD2 3.34Å; S1606-D1648 PolarHBondContact OG-OD2 3.43Å; D1646-D1648 VanDerWaalsContact C-N 3.33Å; D1646-D1648 PolarHBondContact OD1-N 3.38Å; D1648-R1650 PolarHBondContact O-N 3.43Å; D1648-R1650 WeakPolarHBondContact OD1-CB 3.35Å; D1648-R1650 IonicContact OD1-CZ 3.38Å; D1648-R1650 PolarHBondContact OD1-N 3.04Å; D1648-R1650 IonicContact OD1-NE 2.91Å; D1648-R1650 PolarHBondContact OD1-NE 3.09Å; D1648-R1650 IonicContact OD1-NH2 3.33Å; D1648-R1650 IonicContact OD2-CZ 2.93Å; D1648-R1650 IonicContact OD2-NE 3.62Å; D1648-R1650 IonicContact OD2-NH2 3.37Å; D1648-R1650 PolarHBondContact OD2-NH2 2.91Å; D1648-V1651 HydrophobicContact CB-CB 4.48Å; D1648-V1651 HydrophobicContact CB-CG2 3.84Å; D1648-V1651 WeakPolarHBondContact O-CB 3.22Å; D1648-V1651 PolarHBondContact O-N 3Å; D1648-Q1652 PolarHBondContact O-N 3.14Å |
| 1649 | R | 81.5 | Confident | 87.6 | Confident | 43 Ų | 43 | 31.2 Ų | 31.2 | 16% | 0.162 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.3 | -36.7 | -177 | -175.5 | -173.7 | 154.9 | 158.5 | -1.4 | 113.3 | V1651 Q1652 E1653 I1715 D1716 I1720 | R1649-V1651 VanDerWaalsContact C-N 3.27Å; R1649-V1651 PolarHBondContact O-N 3.17Å; R1649-Q1652 WeakPolarHBondContact O-CB 3.4Å; R1649-Q1652 PolarHBondContact O-N 2.72Å; R1649-E1653 PolarHBondContact O-N 2.73Å; R1649-I1715 VanDerWaalsContact NH1-C 3.35Å; R1649-I1715 PolarHBondContact NH1-O 3.48Å; R1649-D1716 PolarHBondContact NH2-O 3.2Å; R1649-I1720 HydrophobicContact CG-CD1 3.42Å; R1649-I1720 VanDerWaalsContact CG-CD1 3.42Å |
| 1650 | R | 80 | Confident | 87.4 | Confident | 127 Ų | 127 | 34.7 Ų | 34.7 | 48% | 0.479 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.5 | -34.4 | -179.1 | -64.4 | 167.1 | -69.6 | -169.9 | -1.5 | 111.4 | D1648 A1654 | D1648-R1650 PolarHBondContact O-N 3.43Å; D1648-R1650 WeakPolarHBondContact OD1-CB 3.35Å; D1648-R1650 IonicContact OD1-CZ 3.38Å; D1648-R1650 PolarHBondContact OD1-N 3.04Å; D1648-R1650 IonicContact OD1-NE 2.91Å; D1648-R1650 PolarHBondContact OD1-NE 3.09Å; D1648-R1650 IonicContact OD1-NH2 3.33Å; D1648-R1650 IonicContact OD2-CZ 2.93Å; D1648-R1650 IonicContact OD2-NE 3.62Å; D1648-R1650 IonicContact OD2-NH2 3.37Å; D1648-R1650 PolarHBondContact OD2-NH2 2.91Å; R1650-A1654 WeakPolarHBondContact O-CB 3.46Å; R1650-A1654 PolarHBondContact O-N 2.8Å |
| 1651 | V | 85.9 | Confident | 87 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.8 | -42.3 | 176.9 | -170.9 | 0 | 0 | 0 | 0 | 109.8 | S1606 R1609 T1610 T1642 D1646 D1648 R1649 E1653 A1654 A1655 | S1606-V1651 VanDerWaalsContact O-CG2 3.3Å; S1606-V1651 WeakPolarHBondContact O-CG2 3.4Å; R1609-V1651 HydrophobicContact CB-CB 4.47Å; R1609-V1651 HydrophobicContact CB-CG1 3.55Å; R1609-V1651 HydrophobicContact CB-CG2 3.98Å; T1610-V1651 WeakPolarHBondContact OG1-CG2 3.46Å; T1642-V1651 HydrophobicContact CG2-CG1 3.43Å; T1642-V1651 VanDerWaalsContact CG2-CG1 3.43Å; D1646-V1651 HydrophobicContact CB-CB 4.25Å; D1646-V1651 HydrophobicContact CB-CG1 4.26Å; D1648-V1651 HydrophobicContact CB-CB 4.48Å; D1648-V1651 HydrophobicContact CB-CG2 3.84Å; D1648-V1651 WeakPolarHBondContact O-CB 3.22Å; D1648-V1651 PolarHBondContact O-N 3Å; R1649-V1651 VanDerWaalsContact C-N 3.27Å; R1649-V1651 PolarHBondContact O-N 3.17Å; V1651-E1653 PolarHBondContact O-N 3.08Å; V1651-A1654 PolarHBondContact O-N 3.34Å; V1651-A1655 VanDerWaalsContact O-CB 3.22Å; V1651-A1655 WeakPolarHBondContact O-CB 3.46Å; V1651-A1655 PolarHBondContact O-N 3.43Å |
| 1652 | Q | 89.5 | Confident | 86.7 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 12% | 0.121 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.7 | -48.8 | 174.9 | -66 | -175.8 | -26.3 | 0 | 0 | 111.5 | D1646 D1648 R1649 A1655 L1656 M1685 I1720 | D1646-Q1652 HydrophobicContact CB-CG 4.08Å; D1646-Q1652 PolarHBondContact O-NE2 2.72Å; D1648-Q1652 PolarHBondContact O-N 3.14Å; R1649-Q1652 WeakPolarHBondContact O-CB 3.4Å; R1649-Q1652 PolarHBondContact O-N 2.72Å; Q1652-A1655 PolarHBondContact O-N 3.34Å; Q1652-L1656 WeakPolarHBondContact O-CB 3.43Å; Q1652-L1656 VanDerWaalsContact O-CG 3.24Å; Q1652-L1656 WeakPolarHBondContact O-CG 3.3Å; Q1652-L1656 PolarHBondContact O-N 3.21Å; Q1652-M1685 HydrophobicContact CB-CE 4.27Å; Q1652-M1685 HydrophobicContact CG-CE 4.36Å; Q1652-I1720 HydrophobicContact CB-CD1 4.26Å |
| 1653 | E | 86.1 | Confident | 86.5 | Confident | 42 Ų | 42 | 32.3 Ų | 32.3 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.4 | -51.1 | 179.4 | -171.7 | 173 | 152.6 | 0 | 0 | 111.9 | R1649 V1651 A1655 L1656 A1657 I1719 I1720 | R1649-E1653 PolarHBondContact O-N 2.73Å; V1651-E1653 PolarHBondContact O-N 3.08Å; E1653-A1655 PolarHBondContact O-N 3.32Å; E1653-L1656 PolarHBondContact O-N 3.15Å; E1653-A1657 WeakPolarHBondContact O-CB 3.43Å; E1653-A1657 PolarHBondContact O-N 3.4Å; E1653-I1719 HydrophobicContact CG-CG2 4.24Å; E1653-I1719 VanDerWaalsContact OE1-CG2 3.3Å; E1653-I1719 WeakPolarHBondContact OE1-CG2 3.32Å; E1653-I1720 HydrophobicContact CB-CD1 4.31Å; E1653-I1720 HydrophobicContact CB-CG1 3.94Å; E1653-I1720 HydrophobicContact CG-CG1 4.25Å |
| 1654 | A | 84.9 | Confident | 86.3 | Confident | 9 Ų | 9 | 34.1 Ų | 34.1 | 7% | 0.074 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.6 | -40 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1610 A1613 R1650 V1651 A1657 A1658 | T1610-A1654 HydrophobicContact CG2-CB 3.75Å; A1613-A1654 HydrophobicContact CB-CB 3.94Å; R1650-A1654 WeakPolarHBondContact O-CB 3.46Å; R1650-A1654 PolarHBondContact O-N 2.8Å; V1651-A1654 PolarHBondContact O-N 3.34Å; A1654-A1657 PolarHBondContact O-N 3.03Å; A1654-A1658 VanDerWaalsContact O-CB 3.27Å; A1654-A1658 WeakPolarHBondContact O-CB 3.36Å; A1654-A1658 PolarHBondContact O-N 3.24Å |
| 1655 | A | 90.4 | Very high | 86 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | A1613 L1639 T1642 V1651 Q1652 E1653 L1659 | A1613-A1655 HydrophobicContact CB-CB 4.15Å; L1639-A1655 HydrophobicContact CD2-CB 4.26Å; T1642-A1655 HydrophobicContact CG2-CB 4.18Å; V1651-A1655 VanDerWaalsContact O-CB 3.22Å; V1651-A1655 WeakPolarHBondContact O-CB 3.46Å; V1651-A1655 PolarHBondContact O-N 3.43Å; Q1652-A1655 PolarHBondContact O-N 3.34Å; E1653-A1655 PolarHBondContact O-N 3.32Å; A1655-L1659 WeakPolarHBondContact O-CB 3.24Å; A1655-L1659 PolarHBondContact O-N 2.99Å |
| 1656 | L | 90.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.8 | -38.8 | 175.4 | -69 | 168.7 | 0 | 0 | 0 | 112 | Q1652 E1653 L1659 R1660 L1682 M1685 I1720 H1723 V1724 I1727 | Q1652-L1656 WeakPolarHBondContact O-CB 3.43Å; Q1652-L1656 VanDerWaalsContact O-CG 3.24Å; Q1652-L1656 WeakPolarHBondContact O-CG 3.3Å; Q1652-L1656 PolarHBondContact O-N 3.21Å; E1653-L1656 PolarHBondContact O-N 3.15Å; L1656-L1659 PolarHBondContact O-N 3.38Å; L1656-R1660 WeakPolarHBondContact O-CB 3.17Å; L1656-R1660 PolarHBondContact O-N 3.1Å; L1656-L1682 HydrophobicContact CD2-CD2 3.5Å; L1656-L1682 VanDerWaalsContact CD2-CD2 3.5Å; L1656-M1685 HydrophobicContact CD1-CE 4.15Å; L1656-M1685 HydrophobicContact CD1-SD 4.17Å; L1656-I1720 HydrophobicContact CD1-CG2 3.75Å; L1656-H1723 HydrophobicContact CB-CB 4.04Å; L1656-V1724 HydrophobicContact CD1-CG2 3.94Å; L1656-I1727 HydrophobicContact CB-CD1 4.37Å; L1656-I1727 HydrophobicContact CD2-CD1 4.1Å; L1656-I1727 WeakPolarHBondContact O-CD1 3.43Å |
| 1657 | A | 85.5 | Confident | 85.7 | Confident | 35 Ų | 35 | 35 Ų | 35 | 29% | 0.289 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1653 A1654 R1660 A1661 | E1653-A1657 WeakPolarHBondContact O-CB 3.43Å; E1653-A1657 PolarHBondContact O-N 3.4Å; A1654-A1657 PolarHBondContact O-N 3.03Å; A1657-R1660 WeakPolarHBondContact O-CB 3.46Å; A1657-R1660 PolarHBondContact O-N 2.9Å; A1657-A1661 PolarHBondContact O-N 3.02Å |
| 1658 | A | 87.8 | Confident | 85.9 | Confident | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1613 G1617 L1639 A1654 R1660 A1661 L1662 | A1613-A1658 WeakPolarHBondContact O-CB 3.02Å; G1617-A1658 VanDerWaalsContact CA-CB 3.48Å; L1639-A1658 HydrophobicContact CD1-CB 4.21Å; L1639-A1658 HydrophobicContact CD2-CB 3.9Å; A1654-A1658 VanDerWaalsContact O-CB 3.27Å; A1654-A1658 WeakPolarHBondContact O-CB 3.36Å; A1654-A1658 PolarHBondContact O-N 3.24Å; A1658-R1660 VanDerWaalsContact C-N 3.29Å; A1658-R1660 PolarHBondContact O-N 3.01Å; A1658-A1661 PolarHBondContact O-N 3.29Å; A1658-L1662 WeakPolarHBondContact O-CG 3.45Å; A1658-L1662 PolarHBondContact O-N 2.98Å |
| 1659 | L | 90.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 176.4 | -165.4 | 68.4 | 0 | 0 | 0 | 111.5 | L1636 L1639 L1640 A1655 L1656 C1663 L1673 I1727 | L1636-L1659 HydrophobicContact CD2-CD1 4.29Å; L1639-L1659 HydrophobicContact CB-CD1 4.04Å; L1640-L1659 HydrophobicContact CB-CD2 4.29Å; L1640-L1659 HydrophobicContact CD1-CD2 4Å; A1655-L1659 WeakPolarHBondContact O-CB 3.24Å; A1655-L1659 PolarHBondContact O-N 2.99Å; L1656-L1659 PolarHBondContact O-N 3.38Å; L1659-C1663 WeakPolarHBondContact O-CB 3.49Å; L1659-C1663 PolarHBondContact O-N 3.15Å; L1659-L1673 HydrophobicContact CD1-CD1 4.25Å; L1659-L1673 HydrophobicContact CD1-CD2 3.7Å; L1659-L1673 HydrophobicContact CD2-CD2 4.24Å; L1659-L1673 HydrophobicContact CG-CD1 4.35Å; L1659-L1673 HydrophobicContact CG-CD2 4.24Å; L1659-I1727 HydrophobicContact CB-CD1 4.26Å; L1659-I1727 HydrophobicContact CD2-CD1 4.24Å |
| 1660 | R | 88.7 | Confident | 86.4 | Confident | 73 Ų | 73 | 37.3 Ų | 37.3 | 28% | 0.275 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 175 | -175.5 | 179.1 | 173.9 | -114.5 | 4.3 | 111.6 | L1656 A1657 A1658 L1662 C1663 I1664 A1726 I1727 L1730 | L1656-R1660 WeakPolarHBondContact O-CB 3.17Å; L1656-R1660 PolarHBondContact O-N 3.1Å; A1657-R1660 WeakPolarHBondContact O-CB 3.46Å; A1657-R1660 PolarHBondContact O-N 2.9Å; A1658-R1660 VanDerWaalsContact C-N 3.29Å; A1658-R1660 PolarHBondContact O-N 3.01Å; R1660-L1662 PolarHBondContact O-N 3.43Å; R1660-C1663 WeakPolarHBondContact O-CB 3.3Å; R1660-C1663 PolarHBondContact O-N 3.14Å; R1660-I1664 HydrophobicContact CG-CD1 3.81Å; R1660-I1664 VanDerWaalsContact O-CG1 3.26Å; R1660-I1664 WeakPolarHBondContact O-CG1 3.27Å; R1660-I1664 PolarHBondContact O-N 3.34Å; R1660-A1726 VanDerWaalsContact NE-CB 3.31Å; R1660-I1727 HydrophobicContact CB-CD1 4.09Å; R1660-I1727 HydrophobicContact CB-CG1 3.68Å; R1660-I1727 HydrophobicContact CG-CG1 4.14Å; R1660-L1730 HydrophobicContact CG-CD1 4.29Å |
| 1661 | A | 84.4 | Confident | 86.7 | Confident | 30 Ų | 30 | 37 Ų | 37 | 25% | 0.248 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -43.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C1620 A1657 A1658 I1664 S1665 | C1620-A1661 HydrophobicContact CB-CB 4.22Å; A1657-A1661 PolarHBondContact O-N 3.02Å; A1658-A1661 PolarHBondContact O-N 3.29Å; A1661-I1664 PolarHBondContact O-N 3.05Å; A1661-S1665 PolarHBondContact O-N 3.38Å; A1661-S1665 VanDerWaalsContact O-N 3.13Å; A1661-S1665 PolarHBondContact O-OG 2.88Å |
| 1662 | L | 86.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.6 | -39.9 | 174.2 | -68.9 | 172.5 | 0 | 0 | 0 | 112.4 | M1619 C1620 I1623 L1636 L1639 A1658 R1660 I1664 S1665 H1666 I1669 | M1619-L1662 HydrophobicContact CB-CD2 4.2Å; C1620-L1662 HydrophobicContact CB-CD2 4.11Å; I1623-L1662 HydrophobicContact CD1-CD2 3.78Å; I1623-L1662 HydrophobicContact CG1-CD2 4.42Å; L1636-L1662 HydrophobicContact CD2-CB 4.46Å; L1636-L1662 HydrophobicContact CD2-CD1 4.06Å; L1639-L1662 HydrophobicContact CD1-CD1 3.65Å; A1658-L1662 WeakPolarHBondContact O-CG 3.45Å; A1658-L1662 PolarHBondContact O-N 2.98Å; R1660-L1662 PolarHBondContact O-N 3.43Å; L1662-I1664 VanDerWaalsContact C-N 3.29Å; L1662-I1664 PolarHBondContact O-N 3.49Å; L1662-S1665 WeakPolarHBondContact CA-OG 3.3Å; L1662-S1665 PolarHBondContact O-N 3.34Å; L1662-S1665 PolarHBondContact O-OG 3.44Å; L1662-H1666 PolarHBondContact O-N 2.98Å; L1662-I1669 HydrophobicContact CB-CD1 4.09Å; L1662-I1669 HydrophobicContact CB-CG2 4.36Å; L1662-I1669 HydrophobicContact CD2-CD1 4.37Å |
| 1663 | C | 87.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.7 | -36.7 | 176.8 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | L1659 R1660 R1670 L1673 L1730 | L1659-C1663 WeakPolarHBondContact O-CB 3.49Å; L1659-C1663 PolarHBondContact O-N 3.15Å; R1660-C1663 WeakPolarHBondContact O-CB 3.3Å; R1660-C1663 PolarHBondContact O-N 3.14Å; C1663-R1670 VanDerWaalsContact O-CG 3.3Å; C1663-R1670 WeakPolarHBondContact O-CG 3.21Å; C1663-R1670 PolarHBondContact O-NE 3.02Å; C1663-L1673 HydrophobicContact CB-CD1 4.1Å; C1663-L1730 HydrophobicContact CB-CD1 4.47Å |
| 1664 | I | 84.6 | Confident | 86.4 | Confident | 39 Ų | 39 | 38.2 Ų | 38.2 | 20% | 0.2 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.5 | -42.4 | -178.9 | -66.6 | 170.2 | 0 | 0 | 0 | 111.2 | F1494 R1660 A1661 L1662 R1670 L1730 | F1494-I1664 HydrophobicContact CD1-CD1 4.43Å; F1494-I1664 HydrophobicContact CE1-CD1 3.15Å; F1494-I1664 HydrophobicContact CE1-CG1 4.44Å; F1494-I1664 HydrophobicContact CE2-CD1 4.42Å; F1494-I1664 HydrophobicContact CE2-CG2 3.92Å; F1494-I1664 HydrophobicContact CZ-CB 4Å; F1494-I1664 HydrophobicContact CZ-CD1 3.15Å; F1494-I1664 HydrophobicContact CZ-CG1 4.09Å; F1494-I1664 HydrophobicContact CZ-CG2 3.55Å; R1660-I1664 HydrophobicContact CG-CD1 3.81Å; R1660-I1664 VanDerWaalsContact O-CG1 3.26Å; R1660-I1664 WeakPolarHBondContact O-CG1 3.27Å; R1660-I1664 PolarHBondContact O-N 3.34Å; A1661-I1664 PolarHBondContact O-N 3.05Å; L1662-I1664 VanDerWaalsContact C-N 3.29Å; L1662-I1664 PolarHBondContact O-N 3.49Å; I1664-R1670 PolarHBondContact O-NH2 2.9Å; I1664-L1730 HydrophobicContact CD1-CD1 3.69Å; I1664-L1730 HydrophobicContact CG1-CD1 3.26Å; I1664-L1730 HydrophobicContact CG1-CD2 3.97Å; I1664-L1730 HydrophobicContact CG1-CG 4.26Å |
| 1665 | S | 81.9 | Confident | 86.4 | Confident | 47 Ų | 47 | 43.5 Ų | 43.5 | 33% | 0.329 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.4 | -33.7 | -172.9 | 48.6 | 0 | 0 | 0 | 0 | 115 | C1620 A1661 L1662 | C1620-S1665 WeakPolarHBondContact CB-OG 3.36Å; C1620-S1665 WeakPolarHBondContact O-CB 3.27Å; A1661-S1665 PolarHBondContact O-N 3.38Å; A1661-S1665 VanDerWaalsContact O-N 3.13Å; A1661-S1665 PolarHBondContact O-OG 2.88Å; L1662-S1665 WeakPolarHBondContact CA-OG 3.3Å; L1662-S1665 PolarHBondContact O-N 3.34Å; L1662-S1665 PolarHBondContact O-OG 3.44Å |
| 1666 | H | 84.5 | Confident | 86.1 | Confident | 20 Ų | 20 | 46 Ų | 46 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | trans | -139.4 | 127.4 | -173.9 | -160.3 | -105.9 | 0 | 0 | 0 | 115.1 | I1623 D1624 Y1627 L1662 R1668 I1669 | I1623-H1666 HydrophobicContact CG1-CB 4.03Å; I1623-H1666 HydrophobicContact CG2-CB 3.72Å; D1624-H1666 IonicContact OD1-CD2 3.78Å; D1624-H1666 PolarHBondContact OD1-CD2 3.18Å; D1624-H1666 IonicContact OD1-NE2 2.77Å; D1624-H1666 PolarHBondContact OD1-NE2 3.04Å; Y1627-H1666 AromaticContact CD2-ND1 3.76Å; L1662-H1666 PolarHBondContact O-N 2.98Å; H1666-R1668 VanDerWaalsContact C-N 3.33Å; H1666-R1668 VanDerWaalsContact CE1-CG 3.46Å; H1666-R1668 WeakPolarHBondContact CE1-CG 3.35Å; H1666-R1668 PolarHBondContact ND1-N 3.09Å; H1666-R1668 PolarHBondContact O-N 3.42Å; H1666-I1669 HydrophobicContact CB-CD1 4.04Å; H1666-I1669 HydrophobicContact CB-CG1 4.16Å; H1666-I1669 WeakPolarHBondContact O-CB 3.41Å; H1666-I1669 PolarHBondContact O-N 3.28Å | ||
| 1667 | H | 85.2 | Confident | 85.9 | Confident | 125 Ų | 125 | 51.2 Ų | 51.2 | 58% | 0.579 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.5 | -31.2 | -176.3 | 72.5 | -79.3 | 0 | 0 | 0 | 114.1 | I1669 R1670 K1671 | H1667-I1669 VanDerWaalsContact C-N 3.33Å; H1667-R1670 WeakPolarHBondContact O-CB 3.24Å; H1667-R1670 PolarHBondContact O-N 3.08Å; H1667-K1671 PolarHBondContact O-N 3.19Å |
| 1668 | R | 87 | Confident | 85.8 | Confident | 124 Ų | 124 | 49.6 Ų | 49.6 | 47% | 0.468 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.1 | -32.3 | 178.1 | -57.4 | -172.3 | -174.9 | 169.4 | -1.8 | 112.1 | Y1627 H1666 R1670 K1671 D1672 | Y1627-R1668 HydrophobicContact CD2-CB 4.39Å; Y1627-R1668 HydrophobicContact CE1-CB 4.24Å; Y1627-R1668 HydrophobicContact CE2-CB 3.55Å; Y1627-R1668 VanDerWaalsContact CZ-CB 3.46Å; Y1627-R1668 WeakPolarHBondContact OH-CB 3.38Å; H1666-R1668 VanDerWaalsContact C-N 3.33Å; H1666-R1668 VanDerWaalsContact CE1-CG 3.46Å; H1666-R1668 WeakPolarHBondContact CE1-CG 3.35Å; H1666-R1668 PolarHBondContact ND1-N 3.09Å; H1666-R1668 PolarHBondContact O-N 3.42Å; R1668-R1670 VanDerWaalsContact C-N 3.31Å; R1668-R1670 PolarHBondContact O-N 3.37Å; R1668-K1671 WeakPolarHBondContact O-CB 3.41Å; R1668-K1671 PolarHBondContact O-N 3.05Å; R1668-K1671 VanDerWaalsContact O-N 3.1Å; R1668-D1672 PolarHBondContact O-N 2.84Å |
| 1669 | I | 87.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 174.8 | -66.8 | -179.8 | 0 | 0 | 0 | 110.7 | I1623 Y1627 L1636 L1662 H1666 H1667 K1671 D1672 L1673 | I1623-I1669 HydrophobicContact CD1-CD1 3.67Å; I1623-I1669 HydrophobicContact CG1-CD1 3.47Å; I1623-I1669 VanDerWaalsContact CG1-CD1 3.47Å; Y1627-I1669 HydrophobicContact CD2-CD1 4.5Å; Y1627-I1669 HydrophobicContact CD2-CG1 3.94Å; Y1627-I1669 HydrophobicContact CE2-CG1 3.87Å; L1636-I1669 HydrophobicContact CD1-CB 4.5Å; L1636-I1669 HydrophobicContact CD1-CG1 4.39Å; L1636-I1669 HydrophobicContact CD1-CG2 3.94Å; L1636-I1669 HydrophobicContact CD2-CG2 3.69Å; L1636-I1669 HydrophobicContact CG-CG2 4.49Å; L1662-I1669 HydrophobicContact CB-CD1 4.09Å; L1662-I1669 HydrophobicContact CB-CG2 4.36Å; L1662-I1669 HydrophobicContact CD2-CD1 4.37Å; H1666-I1669 HydrophobicContact CB-CD1 4.04Å; H1666-I1669 HydrophobicContact CB-CG1 4.16Å; H1666-I1669 WeakPolarHBondContact O-CB 3.41Å; H1666-I1669 PolarHBondContact O-N 3.28Å; H1667-I1669 VanDerWaalsContact C-N 3.33Å; I1669-K1671 VanDerWaalsContact C-N 3.28Å; I1669-K1671 PolarHBondContact O-N 3.48Å; I1669-D1672 PolarHBondContact O-N 3.34Å; I1669-L1673 HydrophobicContact CG2-CD1 3.77Å; I1669-L1673 HydrophobicContact CG2-CG 4.27Å; I1669-L1673 WeakPolarHBondContact O-CB 3.45Å; I1669-L1673 WeakPolarHBondContact O-CG 3.42Å; I1669-L1673 PolarHBondContact O-N 2.84Å |
| 1670 | R | 87.9 | Confident | 85.5 | Confident | 81 Ų | 81 | 58 Ų | 58 | 31% | 0.306 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.6 | -43.7 | 173.7 | -54.6 | -174.1 | -167.6 | 158.7 | 5.5 | 111.1 | C1663 I1664 H1667 R1668 S1674 L1731 | C1663-R1670 VanDerWaalsContact O-CG 3.3Å; C1663-R1670 WeakPolarHBondContact O-CG 3.21Å; C1663-R1670 PolarHBondContact O-NE 3.02Å; I1664-R1670 PolarHBondContact O-NH2 2.9Å; H1667-R1670 WeakPolarHBondContact O-CB 3.24Å; H1667-R1670 PolarHBondContact O-N 3.08Å; R1668-R1670 VanDerWaalsContact C-N 3.31Å; R1668-R1670 PolarHBondContact O-N 3.37Å; R1670-S1674 PolarHBondContact O-N 3.35Å; R1670-S1674 PolarHBondContact O-OG 2.92Å; R1670-L1731 HydrophobicContact CB-CD2 4.05Å; R1670-L1731 WeakPolarHBondContact O-CD2 3.33Å |
| 1671 | K | 84.9 | Confident | 85.4 | Confident | 121 Ų | 121 | 58 Ų | 58 | 53% | 0.526 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 177.8 | -168 | -176.6 | 177.5 | -174.3 | 0 | 111.9 | H1667 R1668 I1669 S1674 I1675 | H1667-K1671 PolarHBondContact O-N 3.19Å; R1668-K1671 WeakPolarHBondContact O-CB 3.41Å; R1668-K1671 PolarHBondContact O-N 3.05Å; R1668-K1671 VanDerWaalsContact O-N 3.1Å; I1669-K1671 VanDerWaalsContact C-N 3.28Å; I1669-K1671 PolarHBondContact O-N 3.48Å; K1671-S1674 WeakPolarHBondContact O-CB 3.48Å; K1671-S1674 PolarHBondContact O-N 3.43Å; K1671-I1675 HydrophobicContact CG-CD1 4.47Å; K1671-I1675 WeakPolarHBondContact O-CG1 3.44Å; K1671-I1675 PolarHBondContact O-N 3.09Å |
| 1672 | D | 86.6 | Confident | 85.5 | Confident | 39 Ų | 39 | 56.6 Ų | 56.6 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.3 | -39.2 | -179.6 | -63.6 | -26.8 | 0 | 0 | 0 | 112.2 | Y1627 L1636 R1668 I1669 I1675 M1676 | Y1627-D1672 PolarHBondContact OH-OD2 3.15Å; L1636-D1672 HydrophobicContact CD1-CB 4.14Å; R1668-D1672 PolarHBondContact O-N 2.84Å; I1669-D1672 PolarHBondContact O-N 3.34Å; D1672-I1675 WeakPolarHBondContact O-CB 3.5Å; D1672-I1675 PolarHBondContact O-N 3.29Å; D1672-I1675 VanDerWaalsContact O-N 3.16Å; D1672-M1676 WeakPolarHBondContact O-CG 3.46Å; D1672-M1676 PolarHBondContact O-N 2.75Å; D1672-M1676 VanDerWaalsContact O-N 3.15Å |
| 1673 | L | 86.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 172.5 | -73.3 | 168.4 | 0 | 0 | 0 | 112 | L1636 L1659 C1663 I1669 I1675 M1676 T1678 L1731 | L1636-L1673 HydrophobicContact CB-CD2 4.44Å; L1659-L1673 HydrophobicContact CD1-CD1 4.25Å; L1659-L1673 HydrophobicContact CD1-CD2 3.7Å; L1659-L1673 HydrophobicContact CD2-CD2 4.24Å; L1659-L1673 HydrophobicContact CG-CD1 4.35Å; L1659-L1673 HydrophobicContact CG-CD2 4.24Å; C1663-L1673 HydrophobicContact CB-CD1 4.1Å; I1669-L1673 HydrophobicContact CG2-CD1 3.77Å; I1669-L1673 HydrophobicContact CG2-CG 4.27Å; I1669-L1673 WeakPolarHBondContact O-CB 3.45Å; I1669-L1673 WeakPolarHBondContact O-CG 3.42Å; I1669-L1673 PolarHBondContact O-N 2.84Å; L1673-I1675 VanDerWaalsContact C-N 3.27Å; L1673-I1675 PolarHBondContact O-N 3.32Å; L1673-M1676 HydrophobicContact CD2-CE 3.5Å; L1673-M1676 VanDerWaalsContact CD2-CE 3.5Å; L1673-M1676 HydrophobicContact CG-CE 4.19Å; L1673-M1676 PolarHBondContact O-N 2.88Å; L1673-T1678 HydrophobicContact CD2-CG2 4.33Å; L1673-T1678 WeakPolarHBondContact O-CB 3.3Å; L1673-T1678 PolarHBondContact O-N 2.75Å; L1673-T1678 PolarHBondContact O-OG1 3.26Å; L1673-L1731 HydrophobicContact CB-CD1 4.01Å; L1673-L1731 HydrophobicContact CB-CD2 3.66Å; L1673-L1731 HydrophobicContact CD1-CD2 4.19Å |
| 1674 | S | 82.7 | Confident | 85.3 | Confident | 54 Ų | 54 | 63.6 Ų | 63.6 | 38% | 0.378 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -37.9 | 172.8 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | R1670 K1671 M1676 | R1670-S1674 PolarHBondContact O-N 3.35Å; R1670-S1674 PolarHBondContact O-OG 2.92Å; K1671-S1674 WeakPolarHBondContact O-CB 3.48Å; K1671-S1674 PolarHBondContact O-N 3.43Å; S1674-M1676 VanDerWaalsContact C-N 3.32Å; S1674-M1676 PolarHBondContact O-N 3.26Å |
| 1675 | I | 85.6 | Confident | 85.3 | Confident | 121 Ų | 121 | 62.5 Ų | 62.5 | 62% | 0.621 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.7 | -30.9 | 178.6 | -66.3 | 164.3 | 0 | 0 | 0 | 111.7 | K1671 D1672 L1673 N1677 | K1671-I1675 HydrophobicContact CG-CD1 4.47Å; K1671-I1675 WeakPolarHBondContact O-CG1 3.44Å; K1671-I1675 PolarHBondContact O-N 3.09Å; D1672-I1675 WeakPolarHBondContact O-CB 3.5Å; D1672-I1675 PolarHBondContact O-N 3.29Å; D1672-I1675 VanDerWaalsContact O-N 3.16Å; L1673-I1675 VanDerWaalsContact C-N 3.27Å; L1673-I1675 PolarHBondContact O-N 3.32Å; I1675-N1677 PolarHBondContact O-N 2.89Å |
| 1676 | M | 83.9 | Confident | 85.1 | Confident | 51 Ų | 51 | 61.9 Ų | 61.9 | 25% | 0.251 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 9.6 | -179.1 | -67.9 | -171.9 | -64.1 | 0 | 0 | 114.8 | L1636 H1637 L1640 D1672 L1673 S1674 T1678 | L1636-M1676 HydrophobicContact CB-CE 3.71Å; H1637-M1676 HydrophobicContact CB-SD 4.23Å; L1640-M1676 HydrophobicContact CD2-CB 4.44Å; D1672-M1676 WeakPolarHBondContact O-CG 3.46Å; D1672-M1676 PolarHBondContact O-N 2.75Å; D1672-M1676 VanDerWaalsContact O-N 3.15Å; L1673-M1676 HydrophobicContact CD2-CE 3.5Å; L1673-M1676 VanDerWaalsContact CD2-CE 3.5Å; L1673-M1676 HydrophobicContact CG-CE 4.19Å; L1673-M1676 PolarHBondContact O-N 2.88Å; S1674-M1676 VanDerWaalsContact C-N 3.32Å; S1674-M1676 PolarHBondContact O-N 3.26Å; M1676-T1678 PolarHBondContact O-N 3.04Å |
| 1677 | N | 85 | Confident | 84.9 | Confident | 111 Ų | 111 | 65 Ų | 65 | 59% | 0.594 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 33.5 | -174.4 | -72.3 | -34.5 | 0 | 0 | 0 | 113.4 | I1675 V1679 K1680 K1681 | I1675-N1677 PolarHBondContact O-N 2.89Å; N1677-V1679 VanDerWaalsContact C-N 3.34Å; N1677-V1679 PolarHBondContact O-N 3.17Å; N1677-K1680 PolarHBondContact O-N 3.34Å; N1677-K1680 VanDerWaalsContact O-N 3.16Å; N1677-K1681 PolarHBondContact O-N 3.2Å |
| 1678 | T | 84.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.5 | -45.3 | -177.9 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | L1640 L1673 M1676 K1680 K1681 L1682 I1727 L1731 | L1640-T1678 HydrophobicContact CD1-CG2 3.7Å; L1640-T1678 HydrophobicContact CD2-CG2 4.31Å; L1640-T1678 VanDerWaalsContact CD2-OG1 3.24Å; L1640-T1678 WeakPolarHBondContact CD2-OG1 3.36Å; L1673-T1678 HydrophobicContact CD2-CG2 4.33Å; L1673-T1678 WeakPolarHBondContact O-CB 3.3Å; L1673-T1678 PolarHBondContact O-N 2.75Å; L1673-T1678 PolarHBondContact O-OG1 3.26Å; M1676-T1678 PolarHBondContact O-N 3.04Å; T1678-K1680 VanDerWaalsContact C-N 3.28Å; T1678-K1680 PolarHBondContact O-N 3.25Å; T1678-K1681 PolarHBondContact O-N 3.45Å; T1678-L1682 HydrophobicContact CG2-CD1 3.61Å; T1678-L1682 HydrophobicContact CG2-CG 4.07Å; T1678-L1682 WeakPolarHBondContact O-CG 3.25Å; T1678-L1682 PolarHBondContact O-N 2.84Å; T1678-I1727 HydrophobicContact CG2-CG2 4.38Å; T1678-L1731 HydrophobicContact CG2-CD1 3.63Å |
| 1679 | V | 84.9 | Confident | 83.9 | Confident | 45 Ų | 45 | 56.9 Ų | 56.9 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.9 | -41 | -179.5 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | N1677 N1683 L1731 | N1677-V1679 VanDerWaalsContact C-N 3.34Å; N1677-V1679 PolarHBondContact O-N 3.17Å; V1679-N1683 WeakPolarHBondContact O-CB 3.22Å; V1679-N1683 VanDerWaalsContact O-CG 3.23Å; V1679-N1683 PolarHBondContact O-N 3.48Å; V1679-N1683 PolarHBondContact O-ND2 2.96Å; V1679-L1731 HydrophobicContact CG2-CB 4.1Å; V1679-L1731 HydrophobicContact CG2-CD1 4.18Å |
| 1680 | K | 86.4 | Confident | 83.1 | Confident | 137 Ų | 137 | 63.2 Ų | 63.2 | 60% | 0.596 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.7 | -50.2 | 177.7 | -174.9 | -179.9 | 176.8 | -177.7 | 0 | 111.3 | N1677 T1678 L1682 N1683 D1684 | N1677-K1680 PolarHBondContact O-N 3.34Å; N1677-K1680 VanDerWaalsContact O-N 3.16Å; T1678-K1680 VanDerWaalsContact C-N 3.28Å; T1678-K1680 PolarHBondContact O-N 3.25Å; K1680-L1682 VanDerWaalsContact C-N 3.32Å; K1680-L1682 PolarHBondContact O-N 2.95Å; K1680-N1683 PolarHBondContact O-N 3.38Å; K1680-D1684 VanDerWaalsContact O-CG 3.28Å; K1680-D1684 PolarHBondContact O-N 3.49Å |
| 1681 | K | 87.5 | Confident | 82.3 | Confident | 73 Ų | 73 | 67.2 Ų | 67.2 | 32% | 0.317 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 179.7 | -69.3 | -171.1 | 178 | -172.3 | 0 | 112 | L1640 N1677 T1678 D1684 M1685 | L1640-K1681 HydrophobicContact CD2-CD 4.04Å; L1640-K1681 HydrophobicContact CG-CD 4.28Å; N1677-K1681 PolarHBondContact O-N 3.2Å; T1678-K1681 PolarHBondContact O-N 3.45Å; K1681-D1684 PolarHBondContact O-N 3.43Å; K1681-M1685 PolarHBondContact O-N 3.29Å; K1681-M1685 VanDerWaalsContact O-N 3.16Å |
| 1682 | L | 86.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.3 | -38.4 | 179.3 | -67 | 179.1 | 0 | 0 | 0 | 112.7 | L1640 L1656 T1678 K1680 M1685 Q1686 V1724 I1727 | L1640-L1682 HydrophobicContact CD1-CD2 4.14Å; L1640-L1682 HydrophobicContact CD1-CG 4.29Å; L1656-L1682 HydrophobicContact CD2-CD2 3.5Å; L1656-L1682 VanDerWaalsContact CD2-CD2 3.5Å; T1678-L1682 HydrophobicContact CG2-CD1 3.61Å; T1678-L1682 HydrophobicContact CG2-CG 4.07Å; T1678-L1682 WeakPolarHBondContact O-CG 3.25Å; T1678-L1682 PolarHBondContact O-N 2.84Å; K1680-L1682 VanDerWaalsContact C-N 3.32Å; K1680-L1682 PolarHBondContact O-N 2.95Å; L1682-M1685 WeakPolarHBondContact O-CB 3.48Å; L1682-M1685 PolarHBondContact O-N 3.44Å; L1682-Q1686 PolarHBondContact O-N 2.7Å; L1682-V1724 HydrophobicContact CB-CG1 3.95Å; L1682-V1724 HydrophobicContact CD2-CG2 4.28Å; L1682-I1727 HydrophobicContact CD1-CB 4.02Å; L1682-I1727 HydrophobicContact CD1-CD1 4.48Å; L1682-I1727 HydrophobicContact CD1-CG2 3.65Å |
| 1683 | N | 83.9 | Confident | 80.2 | Confident | 65 Ų | 65 | 67 Ų | 67 | 35% | 0.348 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 174.2 | -77.8 | -19.2 | 0 | 0 | 0 | 111.9 | V1679 K1680 M1685 Q1686 I1687 | V1679-N1683 WeakPolarHBondContact O-CB 3.22Å; V1679-N1683 VanDerWaalsContact O-CG 3.23Å; V1679-N1683 PolarHBondContact O-N 3.48Å; V1679-N1683 PolarHBondContact O-ND2 2.96Å; K1680-N1683 PolarHBondContact O-N 3.38Å; N1683-M1685 VanDerWaalsContact C-N 3.29Å; N1683-M1685 PolarHBondContact O-N 2.9Å; N1683-Q1686 PolarHBondContact O-N 2.8Å; N1683-I1687 WeakPolarHBondContact O-CG1 3.23Å; N1683-I1687 PolarHBondContact O-N 3.23Å |
| 1684 | D | 84.1 | Confident | 78.8 | Confident | 83 Ų | 83 | 71.5 Ų | 71.5 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 176.3 | -68.1 | -22.4 | 0 | 0 | 0 | 111.4 | K1680 K1681 S1688 | K1680-D1684 VanDerWaalsContact O-CG 3.28Å; K1680-D1684 PolarHBondContact O-N 3.49Å; K1681-D1684 PolarHBondContact O-N 3.43Å; D1684-S1688 PolarHBondContact O-N 2.91Å; D1684-S1688 VanDerWaalsContact O-N 3.13Å; D1684-S1688 PolarHBondContact O-OG 2.94Å |
| 1685 | M | 83.9 | Confident | 77.4 | Confident | 15 Ų | 15 | 75.4 Ų | 75.4 | 7% | 0.074 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 172.3 | -173.2 | -166.2 | -173.9 | 0 | 0 | 111.5 | G1643 Q1652 L1656 K1681 L1682 N1683 I1687 S1688 L1689 I1720 V1724 | G1643-M1685 WeakPolarHBondContact O-CE 3.15Å; Q1652-M1685 HydrophobicContact CB-CE 4.27Å; Q1652-M1685 HydrophobicContact CG-CE 4.36Å; L1656-M1685 HydrophobicContact CD1-CE 4.15Å; L1656-M1685 HydrophobicContact CD1-SD 4.17Å; K1681-M1685 PolarHBondContact O-N 3.29Å; K1681-M1685 VanDerWaalsContact O-N 3.16Å; L1682-M1685 WeakPolarHBondContact O-CB 3.48Å; L1682-M1685 PolarHBondContact O-N 3.44Å; N1683-M1685 VanDerWaalsContact C-N 3.29Å; N1683-M1685 PolarHBondContact O-N 2.9Å; M1685-I1687 VanDerWaalsContact C-N 3.3Å; M1685-I1687 PolarHBondContact O-N 3.1Å; M1685-S1688 WeakPolarHBondContact O-CA 3.49Å; M1685-S1688 WeakPolarHBondContact O-CB 3.38Å; M1685-S1688 PolarHBondContact O-N 3.26Å; M1685-L1689 HydrophobicContact CE-CD1 4.22Å; M1685-L1689 HydrophobicContact CG-CD1 4.33Å; M1685-L1689 HydrophobicContact CG-CG 4.42Å; M1685-L1689 WeakPolarHBondContact O-CG 3.3Å; M1685-L1689 PolarHBondContact O-N 3.37Å; M1685-I1720 HydrophobicContact CE-CG2 3.79Å; M1685-V1724 HydrophobicContact SD-CG2 4.29Å |
| 1686 | Q | 79 | Confident | 75.6 | Confident | 35 Ų | 35 | 79.1 Ų | 79.1 | 16% | 0.164 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.1 | -36.8 | -179.7 | -158.1 | 178.3 | 17.4 | 0 | 0 | 112.1 | L1682 N1683 S1688 K1690 S1721 V1724 T1725 | L1682-Q1686 PolarHBondContact O-N 2.7Å; N1683-Q1686 PolarHBondContact O-N 2.8Å; Q1686-S1688 VanDerWaalsContact C-N 3.35Å; Q1686-K1690 WeakPolarHBondContact O-CB 3.34Å; Q1686-K1690 WeakPolarHBondContact O-CG 3.44Å; Q1686-K1690 PolarHBondContact O-N 3.17Å; Q1686-S1721 PolarHBondContact NE2-OG 3.39Å; Q1686-V1724 HydrophobicContact CB-CG1 4.3Å; Q1686-T1725 PolarHBondContact NE2-OG1 3.02Å |
| 1687 | I | 80.7 | Confident | 73.8 | Confident | 84 Ų | 84 | 82.2 Ų | 82.2 | 43% | 0.431 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 172.3 | -67.4 | 165.5 | 0 | 0 | 0 | 110.7 | N1683 M1685 K1690 R1691 | N1683-I1687 WeakPolarHBondContact O-CG1 3.23Å; N1683-I1687 PolarHBondContact O-N 3.23Å; M1685-I1687 VanDerWaalsContact C-N 3.3Å; M1685-I1687 PolarHBondContact O-N 3.1Å; I1687-K1690 PolarHBondContact O-N 3.16Å; I1687-R1691 WeakPolarHBondContact O-CG 3.25Å; I1687-R1691 PolarHBondContact O-N 3.21Å |
| 1688 | S | 77.5 | Confident | 71.5 | Confident | 62 Ų | 62 | 80 Ų | 80 | 43% | 0.434 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 179.5 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | D1684 M1685 Q1686 R1691 I1692 | D1684-S1688 PolarHBondContact O-N 2.91Å; D1684-S1688 VanDerWaalsContact O-N 3.13Å; D1684-S1688 PolarHBondContact O-OG 2.94Å; M1685-S1688 WeakPolarHBondContact O-CA 3.49Å; M1685-S1688 WeakPolarHBondContact O-CB 3.38Å; M1685-S1688 PolarHBondContact O-N 3.26Å; Q1686-S1688 VanDerWaalsContact C-N 3.35Å; S1688-R1691 PolarHBondContact O-N 2.91Å; S1688-I1692 WeakPolarHBondContact O-CG1 3.49Å; S1688-I1692 PolarHBondContact O-N 3.2Å |
| 1689 | L | 72.8 | Confident | 69.3 | Low | 18 Ų | 18 | 92 Ų | 92 | 9% | 0.094 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 175.6 | -68.7 | 179.6 | 0 | 0 | 0 | 112.2 | M1685 R1691 I1692 S1693 Y1717 I1720 | M1685-L1689 HydrophobicContact CE-CD1 4.22Å; M1685-L1689 HydrophobicContact CG-CD1 4.33Å; M1685-L1689 HydrophobicContact CG-CG 4.42Å; M1685-L1689 WeakPolarHBondContact O-CG 3.3Å; M1685-L1689 PolarHBondContact O-N 3.37Å; L1689-R1691 VanDerWaalsContact C-N 3.31Å; L1689-R1691 PolarHBondContact O-N 2.86Å; L1689-I1692 PolarHBondContact O-N 2.66Å; L1689-I1692 VanDerWaalsContact O-N 3.17Å; L1689-S1693 PolarHBondContact O-N 3.37Å; L1689-S1693 VanDerWaalsContact O-N 3.08Å; L1689-Y1717 HydrophobicContact CD2-CD1 3.55Å; L1689-Y1717 HydrophobicContact CD2-CE1 3.55Å; L1689-Y1717 HydrophobicContact CG-CD1 4.48Å; L1689-I1720 HydrophobicContact CD1-CB 4.39Å; L1689-I1720 HydrophobicContact CD1-CG2 3.65Å |
| 1690 | K | 69.8 | Low | 66.8 | Low | 132 Ų | 132 | 99.9 Ų | 99.9 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.7 | -39.7 | 175.3 | -79.7 | -179.5 | 178.3 | 177.6 | 0 | 112.2 | Q1686 I1687 I1692 S1693 T1694 | Q1686-K1690 WeakPolarHBondContact O-CB 3.34Å; Q1686-K1690 WeakPolarHBondContact O-CG 3.44Å; Q1686-K1690 PolarHBondContact O-N 3.17Å; I1687-K1690 PolarHBondContact O-N 3.16Å; K1690-I1692 PolarHBondContact O-N 3.49Å; K1690-S1693 PolarHBondContact O-N 3.4Å; K1690-T1694 PolarHBondContact O-N 3.21Å; K1690-T1694 PolarHBondContact O-OG1 3.35Å |
| 1691 | R | 71.1 | Confident | 64.2 | Low | 166 Ų | 166 | 99 Ų | 99 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.3 | -35.9 | 176.5 | -71.5 | 179.7 | -170.3 | 171.5 | 4.3 | 113.2 | I1687 S1688 L1689 T1694 | I1687-R1691 WeakPolarHBondContact O-CG 3.25Å; I1687-R1691 PolarHBondContact O-N 3.21Å; S1688-R1691 PolarHBondContact O-N 2.91Å; L1689-R1691 VanDerWaalsContact C-N 3.31Å; L1689-R1691 PolarHBondContact O-N 2.86Å; R1691-T1694 PolarHBondContact O-OG1 2.71Å |
| 1692 | I | 67.5 | Low | 61.5 | Low | 74 Ų | 74 | 101.3 Ų | 101.3 | 38% | 0.379 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69 | -40.2 | 177.7 | -65.1 | 168.2 | 0 | 0 | 0 | 110.2 | S1688 L1689 K1690 T1694 N1695 Y1717 | S1688-I1692 WeakPolarHBondContact O-CG1 3.49Å; S1688-I1692 PolarHBondContact O-N 3.2Å; L1689-I1692 PolarHBondContact O-N 2.66Å; L1689-I1692 VanDerWaalsContact O-N 3.17Å; K1690-I1692 PolarHBondContact O-N 3.49Å; I1692-T1694 PolarHBondContact O-N 3.29Å; I1692-N1695 PolarHBondContact O-N 3.26Å; I1692-Y1717 HydrophobicContact CG2-CE2 4.31Å |
| 1693 | S | 60 | Low | 58.9 | Low | 80 Ų | 80 | 105.8 Ų | 105.8 | 56% | 0.559 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.7 | -38.1 | 177.7 | -165.6 | 0 | 0 | 0 | 0 | 112.7 | L1689 K1690 N1695 | L1689-S1693 PolarHBondContact O-N 3.37Å; L1689-S1693 VanDerWaalsContact O-N 3.08Å; K1690-S1693 PolarHBondContact O-N 3.4Å; S1693-N1695 PolarHBondContact O-N 2.95Å |
| 1694 | T | 57.6 | Low | 56.3 | Low | 95 Ų | 95 | 114.7 Ų | 114.7 | 58% | 0.583 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74 | -22.4 | -178.3 | 50.1 | 0 | 0 | 0 | 0 | 114.6 | K1690 R1691 I1692 S1697 | K1690-T1694 PolarHBondContact O-N 3.21Å; K1690-T1694 PolarHBondContact O-OG1 3.35Å; R1691-T1694 PolarHBondContact O-OG1 2.71Å; I1692-T1694 PolarHBondContact O-N 3.29Å; T1694-S1697 PolarHBondContact O-OG 3.41Å |
| 1695 | N | 54.4 | Low | 53.7 | Low | 137 Ų | 137 | 115.8 Ų | 115.8 | 73% | 0.733 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -9.8 | -174.7 | -81 | -16.9 | 0 | 0 | 0 | 115.1 | I1692 S1693 | I1692-N1695 PolarHBondContact O-N 3.26Å; S1693-N1695 PolarHBondContact O-N 2.95Å |
| 1696 | R | 47.4 | Very low | 51.2 | Low | 199 Ų | 199 | 124.9 Ų | 124.9 | 75% | 0.751 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -4.4 | -175.3 | -76.8 | -173.1 | 177.8 | -170.2 | -0.4 | 115.3 | G1698 | R1696-G1698 PolarHBondContact O-N 3.29Š|
| 1697 | S | 45.1 | Very low | 48.7 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 81% | 0.811 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -83.9 | 7.3 | -174.1 | 56.2 | 0 | 0 | 0 | 0 | 116.1 | T1694 | T1694-S1697 PolarHBondContact O-OG 3.41Š|
| 1698 | G | 37.1 | Very low | 46.2 | Very low | 65 Ų | 65 | 133.7 Ų | 133.7 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -121.3 | 5.8 | -159.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | R1696 | R1696-G1698 PolarHBondContact O-N 3.29Š|
| 1699 | R | 38 | Very low | 44.1 | Very low | 250 Ų | 250 | 136.6 Ų | 136.6 | 94% | 0.943 | 71% | 0.71 | S | S | * | * | trans | -136.9 | 108.7 | 179.8 | -81.5 | -177.4 | 178.9 | 157.3 | -0.1 | 114.4 | ||||
| 1700 | K | 31.3 | Very low | 42 | Very low | 212 Ų | 212 | 143.3 Ų | 143.3 | 92% | 0.922 | 75% | 0.745 | S | S | * | * | trans | -107.3 | 114 | 164.8 | -74.9 | -179.5 | 176.1 | 178.3 | 0 | 109.3 | ||||
| 1701 | S | 33.1 | Very low | 40.3 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -173.4 | 120.5 | 154.9 | 47.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1702 | S | 30.4 | Very low | 38.5 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | 40.8 | 112.3 | 139.4 | 169.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1703 | A | 33 | Very low | 36.8 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | 179.6 | 134.9 | 121.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1704 | R | 28.1 | Very low | 35.8 | Very low | 251 Ų | 251 | 149.8 Ų | 149.8 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | trans | -60.6 | 123 | 175.2 | -75.8 | 167.4 | 167.7 | 160.8 | -5.5 | 112.1 | ||||
| 1705 | S | 29.7 | Very low | 35.5 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | 153.6 | 140.6 | 152.1 | 50.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1706 | R | 31.2 | Very low | 35.5 | Very low | 206 Ų | 206 | 148.4 Ų | 148.4 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | 93.5 | 81.5 | -175.5 | -55 | 177.2 | 177.8 | -173.9 | -2.5 | 115.1 | S1708 | R1706-S1708 VanDerWaalsContact C-N 3.35Å; R1706-S1708 PolarHBondContact O-N 3.33Å | ||
| 1707 | M | 26.2 | Very low | 36.5 | Very low | 198 Ų | 198 | 142 Ų | 142 | 98% | 0.975 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -93.8 | 62.4 | 168 | -166.1 | 164.8 | 161.5 | 0 | 0 | 109.1 | ||
| 1708 | S | 29.4 | Very low | 37.7 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -159 | 14.4 | 176 | 61.1 | 0 | 0 | 0 | 0 | 116.1 | R1706 | R1706-S1708 VanDerWaalsContact C-N 3.35Å; R1706-S1708 PolarHBondContact O-N 3.33Å |
| 1709 | I | 32.7 | Very low | 39.5 | Very low | 124 Ų | 124 | 140 Ų | 140 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | -134.3 | 59.2 | -175.7 | -49 | 177.6 | 0 | 0 | 0 | 111.1 | ||||
| 1710 | I | 29.4 | Very low | 41.4 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 82% | 0.815 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -124.5 | 2.1 | -176.3 | -66.5 | -176.6 | 0 | 0 | 0 | 115.7 | ||
| 1711 | Q | 33.3 | Very low | 43.7 | Very low | 199 Ų | 199 | 119.4 Ų | 119.4 | 93% | 0.93 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -119.6 | 3.5 | 178.2 | -94.7 | 176 | -31.5 | 0 | 0 | 118.6 | ||
| 1712 | L | 33.5 | Very low | 46 | Very low | 142 Ų | 142 | 118.3 Ų | 118.3 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -106.8 | 24.7 | 179.1 | -83.1 | 155.4 | 0 | 0 | 0 | 114.7 | ||
| 1713 | G | 32.2 | Very low | 48.5 | Very low | 70 Ų | 70 | 114.1 Ų | 114.1 | 72% | 0.722 | 60% | 0.599 | S | S | * | * | trans | -104.1 | 0.7 | -164 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1714 | L | 39.6 | Very low | 51 | Low | 177 Ų | 177 | 109.6 Ų | 109.6 | 93% | 0.927 | 56% | 0.562 | S | S | * | * | trans | -128.1 | 64.8 | -176 | -71.6 | 166.5 | 0 | 0 | 0 | 111 | ||||
| 1715 | I | 50.5 | Low | 53.7 | Low | 106 Ų | 106 | 100.2 Ų | 100.2 | 54% | 0.544 | 53% | 0.533 | S | S | . | . | trans | -105.1 | 114 | 168.4 | -51.4 | -177.9 | 0 | 0 | 0 | 107.3 | R1649 | R1649-I1715 VanDerWaalsContact NH1-C 3.35Å; R1649-I1715 PolarHBondContact NH1-O 3.48Å | ||
| 1716 | D | 55.3 | Low | 56.3 | Low | 97 Ų | 97 | 96.1 Ų | 96.1 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | trans | -81 | 116.4 | -164.4 | -144.8 | -20.6 | 0 | 0 | 0 | 110.6 | R1649 D1718 I1719 | R1649-D1716 PolarHBondContact NH2-O 3.2Å; D1716-D1718 HydrophobicContact CB-CB 4.04Å; D1716-D1718 PolarHBondContact O-N 2.76Å; D1716-D1718 VanDerWaalsContact OD1-CG 3.3Å; D1716-I1719 PolarHBondContact O-N 3.45Å | ||
| 1717 | Y | 67.4 | Low | 58.8 | Low | 64 Ų | 64 | 86.3 Ų | 86.3 | 25% | 0.251 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -10.2 | 176.1 | -82.8 | -79.4 | 0 | 0 | 0 | 112.6 | L1689 I1692 I1719 I1720 S1721 | L1689-Y1717 HydrophobicContact CD2-CD1 3.55Å; L1689-Y1717 HydrophobicContact CD2-CE1 3.55Å; L1689-Y1717 HydrophobicContact CG-CD1 4.48Å; I1692-Y1717 HydrophobicContact CG2-CE2 4.31Å; Y1717-I1719 VanDerWaalsContact C-N 3.32Å; Y1717-I1719 PolarHBondContact O-N 3.18Å; Y1717-I1720 PolarHBondContact O-N 3.27Å; Y1717-S1721 PolarHBondContact O-N 3.33Å; Y1717-S1721 VanDerWaalsContact O-N 3.1Å |
| 1718 | D | 70.3 | Confident | 61.6 | Low | 87 Ų | 87 | 77.4 Ų | 77.4 | 47% | 0.465 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -50.9 | -39.4 | 170.1 | -74.4 | -1.3 | 0 | 0 | 0 | 114.2 | D1716 S1721 Q1722 | D1716-D1718 HydrophobicContact CB-CB 4.04Å; D1716-D1718 PolarHBondContact O-N 2.76Å; D1716-D1718 VanDerWaalsContact OD1-CG 3.3Å; D1718-S1721 CarbonylContact O-C 3.56Å; D1718-S1721 WeakPolarHBondContact O-CB 3.44Å; D1718-S1721 PolarHBondContact O-N 2.93Å; D1718-Q1722 WeakPolarHBondContact O-CB 3.35Å; D1718-Q1722 VanDerWaalsContact O-CG 3.23Å; D1718-Q1722 WeakPolarHBondContact O-CG 3.36Å; D1718-Q1722 PolarHBondContact O-N 3.31Å |
| 1719 | I | 74.7 | Confident | 64.2 | Low | 52 Ų | 52 | 77 Ų | 77 | 27% | 0.267 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.9 | -46.7 | -178.5 | -58.4 | 175.1 | 0 | 0 | 0 | 111.4 | E1653 D1716 Y1717 S1721 Q1722 H1723 | E1653-I1719 HydrophobicContact CG-CG2 4.24Å; E1653-I1719 VanDerWaalsContact OE1-CG2 3.3Å; E1653-I1719 WeakPolarHBondContact OE1-CG2 3.32Å; D1716-I1719 PolarHBondContact O-N 3.45Å; Y1717-I1719 VanDerWaalsContact C-N 3.32Å; Y1717-I1719 PolarHBondContact O-N 3.18Å; I1719-S1721 VanDerWaalsContact C-N 3.28Å; I1719-S1721 PolarHBondContact O-N 3.16Å; I1719-Q1722 WeakPolarHBondContact O-CB 3.48Å; I1719-Q1722 PolarHBondContact O-N 3.32Å; I1719-Q1722 VanDerWaalsContact O-N 3.15Å; I1719-H1723 PolarHBondContact O-CD2 3.17Å; I1719-H1723 PolarHBondContact O-N 3Å |
| 1720 | I | 77.7 | Confident | 66.6 | Low | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 174.9 | -68.9 | 177.3 | 0 | 0 | 0 | 110 | R1649 Q1652 E1653 L1656 M1685 L1689 Y1717 Q1722 H1723 V1724 | R1649-I1720 HydrophobicContact CG-CD1 3.42Å; R1649-I1720 VanDerWaalsContact CG-CD1 3.42Å; Q1652-I1720 HydrophobicContact CB-CD1 4.26Å; E1653-I1720 HydrophobicContact CB-CD1 4.31Å; E1653-I1720 HydrophobicContact CB-CG1 3.94Å; E1653-I1720 HydrophobicContact CG-CG1 4.25Å; L1656-I1720 HydrophobicContact CD1-CG2 3.75Å; M1685-I1720 HydrophobicContact CE-CG2 3.79Å; L1689-I1720 HydrophobicContact CD1-CB 4.39Å; L1689-I1720 HydrophobicContact CD1-CG2 3.65Å; Y1717-I1720 PolarHBondContact O-N 3.27Å; I1720-Q1722 VanDerWaalsContact C-N 3.3Å; I1720-Q1722 PolarHBondContact O-N 3.08Å; I1720-H1723 PolarHBondContact O-N 3.37Å; I1720-V1724 HydrophobicContact CG2-CG2 4.34Å; I1720-V1724 WeakPolarHBondContact O-CB 3.5Å; I1720-V1724 VanDerWaalsContact O-CG2 3.29Å; I1720-V1724 WeakPolarHBondContact O-CG2 3.24Å; I1720-V1724 PolarHBondContact O-N 3.21Å |
| 1721 | S | 79.7 | Confident | 69.1 | Low | 30 Ų | 30 | 65.6 Ų | 65.6 | 21% | 0.21 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.1 | -37 | 176.3 | -170.2 | 0 | 0 | 0 | 0 | 112.3 | Q1686 Y1717 D1718 I1719 T1725 | Q1686-S1721 PolarHBondContact NE2-OG 3.39Å; Y1717-S1721 PolarHBondContact O-N 3.33Å; Y1717-S1721 VanDerWaalsContact O-N 3.1Å; D1718-S1721 CarbonylContact O-C 3.56Å; D1718-S1721 WeakPolarHBondContact O-CB 3.44Å; D1718-S1721 PolarHBondContact O-N 2.93Å; I1719-S1721 VanDerWaalsContact C-N 3.28Å; I1719-S1721 PolarHBondContact O-N 3.16Å; S1721-T1725 WeakPolarHBondContact O-CB 3.07Å; S1721-T1725 PolarHBondContact O-N 3.37Å; S1721-T1725 PolarHBondContact O-OG1 3.19Å |
| 1722 | Q | 81.5 | Confident | 71.1 | Confident | 94 Ų | 94 | 60.1 Ų | 60.1 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 175.2 | -73.6 | 169.7 | 14.5 | 0 | 0 | 111.8 | L1498 D1718 I1719 I1720 T1725 A1726 | L1498-Q1722 VanDerWaalsContact CD1-NE2 3.34Å; D1718-Q1722 WeakPolarHBondContact O-CB 3.35Å; D1718-Q1722 VanDerWaalsContact O-CG 3.23Å; D1718-Q1722 WeakPolarHBondContact O-CG 3.36Å; D1718-Q1722 PolarHBondContact O-N 3.31Å; I1719-Q1722 WeakPolarHBondContact O-CB 3.48Å; I1719-Q1722 PolarHBondContact O-N 3.32Å; I1719-Q1722 VanDerWaalsContact O-N 3.15Å; I1720-Q1722 VanDerWaalsContact C-N 3.3Å; I1720-Q1722 PolarHBondContact O-N 3.08Å; Q1722-T1725 PolarHBondContact O-N 3.16Å; Q1722-A1726 VanDerWaalsContact O-CB 3.3Å; Q1722-A1726 WeakPolarHBondContact O-CB 3.32Å; Q1722-A1726 PolarHBondContact O-N 2.98Å |
| 1723 | H | 83.1 | Confident | 72.2 | Confident | 34 Ų | 34 | 58.9 Ų | 58.9 | 16% | 0.157 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 175.4 | -74.7 | -68.3 | 0 | 0 | 0 | 112.1 | L1656 I1719 I1720 T1725 A1726 I1727 | L1656-H1723 HydrophobicContact CB-CB 4.04Å; I1719-H1723 PolarHBondContact O-CD2 3.17Å; I1719-H1723 PolarHBondContact O-N 3Å; I1720-H1723 PolarHBondContact O-N 3.37Å; H1723-T1725 PolarHBondContact O-N 2.87Å; H1723-A1726 PolarHBondContact O-N 3.35Å; H1723-I1727 WeakPolarHBondContact O-CD1 3.29Å; H1723-I1727 VanDerWaalsContact O-CG1 3.27Å; H1723-I1727 WeakPolarHBondContact O-CG1 3.34Å; H1723-I1727 PolarHBondContact O-N 3.42Å |
| 1724 | V | 84.9 | Confident | 72.9 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.1 | -51.3 | 175.4 | 165.4 | 0 | 0 | 0 | 0 | 110.7 | L1656 L1682 M1685 Q1686 I1720 A1726 I1727 C1728 | L1656-V1724 HydrophobicContact CD1-CG2 3.94Å; L1682-V1724 HydrophobicContact CB-CG1 3.95Å; L1682-V1724 HydrophobicContact CD2-CG2 4.28Å; M1685-V1724 HydrophobicContact SD-CG2 4.29Å; Q1686-V1724 HydrophobicContact CB-CG1 4.3Å; I1720-V1724 HydrophobicContact CG2-CG2 4.34Å; I1720-V1724 WeakPolarHBondContact O-CB 3.5Å; I1720-V1724 VanDerWaalsContact O-CG2 3.29Å; I1720-V1724 WeakPolarHBondContact O-CG2 3.24Å; I1720-V1724 PolarHBondContact O-N 3.21Å; V1724-A1726 PolarHBondContact O-N 3.49Å; V1724-I1727 PolarHBondContact O-N 3.06Å; V1724-C1728 PolarHBondContact O-N 3.48Å; V1724-C1728 PolarHBondContact O-SG 3Å |
| 1725 | T | 84.6 | Confident | 72.8 | Confident | 54 Ų | 54 | 63.6 Ų | 63.6 | 33% | 0.331 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | -179.1 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | Q1686 S1721 Q1722 H1723 I1727 C1728 D1729 | Q1686-T1725 PolarHBondContact NE2-OG1 3.02Å; S1721-T1725 WeakPolarHBondContact O-CB 3.07Å; S1721-T1725 PolarHBondContact O-N 3.37Å; S1721-T1725 PolarHBondContact O-OG1 3.19Å; Q1722-T1725 PolarHBondContact O-N 3.16Å; H1723-T1725 PolarHBondContact O-N 2.87Å; T1725-I1727 VanDerWaalsContact C-N 3.34Å; T1725-I1727 PolarHBondContact O-N 3.48Å; T1725-C1728 PolarHBondContact O-N 3.36Å; T1725-D1729 PolarHBondContact O-N 3.2Å |
| 1726 | A | 84.3 | Confident | 72 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 17% | 0.174 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -36.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1660 Q1722 H1723 V1724 L1730 | R1660-A1726 VanDerWaalsContact NE-CB 3.31Å; Q1722-A1726 VanDerWaalsContact O-CB 3.3Å; Q1722-A1726 WeakPolarHBondContact O-CB 3.32Å; Q1722-A1726 PolarHBondContact O-N 2.98Å; H1723-A1726 PolarHBondContact O-N 3.35Å; V1724-A1726 PolarHBondContact O-N 3.49Å; A1726-L1730 WeakPolarHBondContact O-CB 3.44Å; A1726-L1730 VanDerWaalsContact O-CD1 3.27Å; A1726-L1730 WeakPolarHBondContact O-CD1 3.47Å; A1726-L1730 WeakPolarHBondContact O-CG 3.39Å; A1726-L1730 PolarHBondContact O-N 3.47Å; A1726-L1730 VanDerWaalsContact O-N 3.09Å |
| 1727 | I | 85.1 | Confident | 71 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.5 | -45.8 | 174.3 | -66.8 | 159.7 | 0 | 0 | 0 | 110.4 | L1656 L1659 R1660 T1678 L1682 H1723 V1724 T1725 D1729 L1730 L1731 | L1656-I1727 HydrophobicContact CB-CD1 4.37Å; L1656-I1727 HydrophobicContact CD2-CD1 4.1Å; L1656-I1727 WeakPolarHBondContact O-CD1 3.43Å; L1659-I1727 HydrophobicContact CB-CD1 4.26Å; L1659-I1727 HydrophobicContact CD2-CD1 4.24Å; R1660-I1727 HydrophobicContact CB-CD1 4.09Å; R1660-I1727 HydrophobicContact CB-CG1 3.68Å; R1660-I1727 HydrophobicContact CG-CG1 4.14Å; T1678-I1727 HydrophobicContact CG2-CG2 4.38Å; L1682-I1727 HydrophobicContact CD1-CB 4.02Å; L1682-I1727 HydrophobicContact CD1-CD1 4.48Å; L1682-I1727 HydrophobicContact CD1-CG2 3.65Å; H1723-I1727 WeakPolarHBondContact O-CD1 3.29Å; H1723-I1727 VanDerWaalsContact O-CG1 3.27Å; H1723-I1727 WeakPolarHBondContact O-CG1 3.34Å; H1723-I1727 PolarHBondContact O-N 3.42Å; V1724-I1727 PolarHBondContact O-N 3.06Å; T1725-I1727 VanDerWaalsContact C-N 3.34Å; T1725-I1727 PolarHBondContact O-N 3.48Å; I1727-D1729 VanDerWaalsContact C-N 3.32Å; I1727-D1729 PolarHBondContact O-N 3.18Å; I1727-L1730 PolarHBondContact O-N 3.35Å; I1727-L1731 HydrophobicContact CG2-CD1 3.82Å; I1727-L1731 HydrophobicContact CG2-CG 4.3Å; I1727-L1731 VanDerWaalsContact O-CG 3.3Å; I1727-L1731 WeakPolarHBondContact O-CG 3.48Å; I1727-L1731 PolarHBondContact O-N 3.13Å |
| 1728 | C | 85.3 | Confident | 69.2 | Low | 11 Ų | 11 | 80.5 Ų | 80.5 | 7% | 0.074 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.4 | -45 | 176.6 | -74 | 0 | 0 | 0 | 0 | 111.3 | V1724 T1725 L1730 L1731 C1732 | V1724-C1728 PolarHBondContact O-N 3.48Å; V1724-C1728 PolarHBondContact O-SG 3Å; T1725-C1728 PolarHBondContact O-N 3.36Å; C1728-L1730 PolarHBondContact O-N 2.9Å; C1728-L1731 PolarHBondContact O-N 3.26Å; C1728-C1732 VanDerWaalsContact O-CB 3.32Å; C1728-C1732 WeakPolarHBondContact O-CB 3.41Å; C1728-C1732 PolarHBondContact O-N 3.47Å; C1728-C1732 PolarHBondContact O-SG 3.28Å |
| 1729 | D | 84.1 | Confident | 69.2 | Low | 95 Ų | 95 | 80.2 Ų | 80.2 | 51% | 0.508 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 176.8 | -67.1 | -19.2 | 0 | 0 | 0 | 110.9 | T1725 I1727 L1731 C1732 I1733 | T1725-D1729 PolarHBondContact O-N 3.2Å; I1727-D1729 VanDerWaalsContact C-N 3.32Å; I1727-D1729 PolarHBondContact O-N 3.18Å; D1729-L1731 VanDerWaalsContact C-N 3.3Å; D1729-L1731 PolarHBondContact O-N 3.3Å; D1729-C1732 PolarHBondContact O-N 3.49Å; D1729-I1733 WeakPolarHBondContact O-CD1 3.49Å; D1729-I1733 VanDerWaalsContact O-CG1 3.25Å; D1729-I1733 WeakPolarHBondContact O-CG1 3.5Å; D1729-I1733 PolarHBondContact O-N 3Å |
| 1730 | L | 82.4 | Confident | 68.9 | Low | 33 Ų | 33 | 81.6 Ų | 81.6 | 17% | 0.173 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.5 | -31.7 | 178.6 | -71.6 | 162.5 | 0 | 0 | 0 | 114.1 | R1660 C1663 I1664 A1726 I1727 C1728 | R1660-L1730 HydrophobicContact CG-CD1 4.29Å; C1663-L1730 HydrophobicContact CB-CD1 4.47Å; I1664-L1730 HydrophobicContact CD1-CD1 3.69Å; I1664-L1730 HydrophobicContact CG1-CD1 3.26Å; I1664-L1730 HydrophobicContact CG1-CD2 3.97Å; I1664-L1730 HydrophobicContact CG1-CG 4.26Å; A1726-L1730 WeakPolarHBondContact O-CB 3.44Å; A1726-L1730 VanDerWaalsContact O-CD1 3.27Å; A1726-L1730 WeakPolarHBondContact O-CD1 3.47Å; A1726-L1730 WeakPolarHBondContact O-CG 3.39Å; A1726-L1730 PolarHBondContact O-N 3.47Å; A1726-L1730 VanDerWaalsContact O-N 3.09Å; I1727-L1730 PolarHBondContact O-N 3.35Å; C1728-L1730 PolarHBondContact O-N 2.9Å |
| 1731 | L | 82 | Confident | 68.4 | Low | 12 Ų | 12 | 86.2 Ų | 86.2 | 6% | 0.063 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -84 | -27.7 | 178.9 | -65.6 | 176.7 | 0 | 0 | 0 | 112.6 | R1670 L1673 T1678 V1679 I1727 C1728 D1729 | R1670-L1731 HydrophobicContact CB-CD2 4.05Å; R1670-L1731 WeakPolarHBondContact O-CD2 3.33Å; L1673-L1731 HydrophobicContact CB-CD1 4.01Å; L1673-L1731 HydrophobicContact CB-CD2 3.66Å; L1673-L1731 HydrophobicContact CD1-CD2 4.19Å; T1678-L1731 HydrophobicContact CG2-CD1 3.63Å; V1679-L1731 HydrophobicContact CG2-CB 4.1Å; V1679-L1731 HydrophobicContact CG2-CD1 4.18Å; I1727-L1731 HydrophobicContact CG2-CD1 3.82Å; I1727-L1731 HydrophobicContact CG2-CG 4.3Å; I1727-L1731 VanDerWaalsContact O-CG 3.3Å; I1727-L1731 WeakPolarHBondContact O-CG 3.48Å; I1727-L1731 PolarHBondContact O-N 3.13Å; C1728-L1731 PolarHBondContact O-N 3.26Å; D1729-L1731 VanDerWaalsContact C-N 3.3Å; D1729-L1731 PolarHBondContact O-N 3.3Å |
| 1732 | C | 74.7 | Confident | 67.8 | Low | 84 Ų | 84 | 89.5 Ų | 89.5 | 57% | 0.568 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -80.7 | -11.6 | 177.6 | -71.6 | 0 | 0 | 0 | 0 | 113.5 | C1728 D1729 K1734 | C1728-C1732 VanDerWaalsContact O-CB 3.32Å; C1728-C1732 WeakPolarHBondContact O-CB 3.41Å; C1728-C1732 PolarHBondContact O-N 3.47Å; C1728-C1732 PolarHBondContact O-SG 3.28Å; D1729-C1732 PolarHBondContact O-N 3.49Å; C1732-K1734 PolarHBondContact O-N 3.49Å |
| 1733 | I | 56.8 | Low | 66.9 | Low | 116 Ų | 116 | 89.2 Ų | 89.2 | 60% | 0.595 | 45% | 0.446 | S | S | * | . | trans | -71.9 | 72.4 | 172.7 | -61.1 | 158.3 | 0 | 0 | 0 | 109.9 | D1729 | D1729-I1733 WeakPolarHBondContact O-CD1 3.49Å; D1729-I1733 VanDerWaalsContact O-CG1 3.25Å; D1729-I1733 WeakPolarHBondContact O-CG1 3.5Å; D1729-I1733 PolarHBondContact O-N 3Å | ||
| 1734 | K | 46.7 | Very low | 65.8 | Low | 151 Ų | 151 | 92.9 Ų | 92.9 | 66% | 0.657 | 47% | 0.465 | S | S | * | . | trans | -148.8 | 83 | 160.4 | -86 | -168.3 | 178.5 | 174.4 | 0 | 108.4 | C1732 | C1732-K1734 PolarHBondContact O-N 3.49Š| ||
| 1735 | Q | 38.5 | Very low | 64.4 | Low | 194 Ų | 194 | 99.5 Ų | 99.5 | 91% | 0.907 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -175.4 | -7.2 | 136.1 | -104.8 | 176.1 | -0.7 | 0 | 0 | 115 | ||
| 1736 | E | 34 | Very low | 62.9 | Low | 180 Ų | 180 | 103 Ų | 103 | 84% | 0.841 | 51% | 0.511 | S | S | * | . | trans | -118.8 | 82.2 | 179.6 | -69.6 | -180 | 168.9 | 0 | 0 | 111.6 | ||||
| 1737 | N | 34.2 | Very low | 61.1 | Low | 168 Ų | 168 | 109.8 Ų | 109.8 | 90% | 0.898 | 54% | 0.54 | S | S | * | . | trans | -166.7 | 76.8 | 143.2 | -96.2 | -24.1 | 0 | 0 | 0 | 107.6 | ||||
| 1738 | K | 29.6 | Very low | 58.9 | Low | 274 Ų | 274 | 119.8 Ų | 119.8 | 100% | 1.191 | 59% | 0.589 | S | S | * | * | trans | -91.5 | 0 | 132 | -134.5 | -174.9 | -171.7 | -176.8 | 0 | 107.1 |
Retrieved 1,738 of 1,738 residues in 2096.9 ms
(Link to these results)