| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 64.7 | Low | 74.5 | Confident | 69 Ų | 69 | 66 Ų | 66 | 34% | 0.34 | 36% | 0.363 | S | S | . | . | 0 | 146.5 | 0 | -158.5 | 166.9 | -165.6 | 0 | 0 | 109.2 | D5 D7 F8 L11 K135 M144 | M1-D5 VanDerWaalsContact CE-OD2 3.24Å; M1-D5 WeakPolarHBondContact CE-OD2 3.29Å; M1-D7 HydrophobicContact CE-CB 3.76Å; M1-F8 HydrophobicContact CB-CD2 4.06Å; M1-F8 HydrophobicContact CB-CE2 4.4Å; M1-F8 HydrophobicContact CG-CD2 4.1Å; M1-L11 HydrophobicContact CE-CD1 3.98Å; M1-L11 HydrophobicContact SD-CB 4.27Å; M1-L11 HydrophobicContact SD-CD1 4.28Å; M1-K135 HydrophobicContact CE-CD 3.99Å; M1-M144 HydrophobicContact SD-CE 4.47Å | |||
| 2 | D | 68.5 | Low | 74.8 | Confident | 95 Ų | 95 | 61.3 Ų | 61.3 | 51% | 0.508 | 34% | 0.341 | S | S | . | . | trans | -86.1 | 134 | -177.6 | -167.6 | -60.9 | 0 | 0 | 0 | 111 | S4 D5 F8 | D2-S4 PolarHBondContact O-N 2.92Å; D2-S4 VanDerWaalsContact O-N 3.13Å; D2-S4 WeakPolarHBondContact OD1-CB 3.38Å; D2-S4 PolarHBondContact OD1-N 2.64Å; D2-S4 PolarHBondContact OD1-OG 3.11Å; D2-D5 VanDerWaalsContact O-CB 3.27Å; D2-D5 WeakPolarHBondContact O-CB 3.3Å; D2-D5 PolarHBondContact O-N 3.37Å; D2-D5 VanDerWaalsContact O-N 3.09Å; D2-F8 WeakPolarHBondContact O-CD2 3.42Å | ||
| 3 | P | 71.4 | Confident | 75.2 | Confident | 76 Ų | 76 | 58.2 Ų | 58.2 | 49% | 0.494 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -14.9 | 177.1 | -24.9 | 35.6 | 0 | 0 | 0 | 115.9 | F8 | P3-F8 HydrophobicContact CB-CD1 4.39Å; P3-F8 HydrophobicContact CB-CE1 4.13Å; P3-F8 HydrophobicContact CB-CZ 4.25Å; P3-F8 HydrophobicContact CG-CE1 4.47Å; P3-F8 HydrophobicContact CG-CE2 4.34Å; P3-F8 HydrophobicContact CG-CZ 4.1Å |
| 4 | S | 73.7 | Confident | 75.5 | Confident | 100 Ų | 100 | 58.6 Ų | 58.6 | 70% | 0.699 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -8.9 | 175 | 65.4 | 0 | 0 | 0 | 0 | 114.4 | D2 | D2-S4 PolarHBondContact O-N 2.92Å; D2-S4 VanDerWaalsContact O-N 3.13Å; D2-S4 WeakPolarHBondContact OD1-CB 3.38Å; D2-S4 PolarHBondContact OD1-N 2.64Å; D2-S4 PolarHBondContact OD1-OG 3.11Å |
| 5 | D | 75.6 | Confident | 75.5 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 17% | 0.171 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -68.6 | 126.3 | 175.2 | -172.5 | -26.4 | 0 | 0 | 0 | 109.9 | M1 D2 D7 F8 K135 | M1-D5 VanDerWaalsContact CE-OD2 3.24Å; M1-D5 WeakPolarHBondContact CE-OD2 3.29Å; D2-D5 VanDerWaalsContact O-CB 3.27Å; D2-D5 WeakPolarHBondContact O-CB 3.3Å; D2-D5 PolarHBondContact O-N 3.37Å; D2-D5 VanDerWaalsContact O-N 3.09Å; D5-D7 PolarHBondContact O-N 3.34Å; D5-D7 VanDerWaalsContact O-N 3.12Å; D5-D7 WeakPolarHBondContact OD1-CB 3.39Å; D5-D7 PolarHBondContact OD1-N 3.36Å; D5-F8 HydrophobicContact CB-CB 4.27Å; D5-F8 WeakPolarHBondContact O-CB 3.28Å; D5-F8 PolarHBondContact O-N 2.73Å; D5-K135 IonicContact OD1-NZ 2.76Å; D5-K135 PolarHBondContact OD1-NZ 3.3Å; D5-K135 IonicContact OD2-NZ 2.67Å; D5-K135 PolarHBondContact OD2-NZ 3.05Å |
| 6 | P | 74.5 | Confident | 75.3 | Confident | 107 Ų | 107 | 70.8 Ų | 70.8 | 70% | 0.695 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.8 | -180 | 24.6 | -35.2 | 0 | 0 | 0 | 113.5 | F8 | P6-F8 VanDerWaalsContact C-N 3.32Š|
| 7 | D | 76.4 | Confident | 75.3 | Confident | 24 Ų | 24 | 69.3 Ų | 69.3 | 13% | 0.128 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -23.3 | 175.5 | -62.1 | -24.1 | 0 | 0 | 0 | 112.2 | M1 D5 K9 Y10 L11 V132 K135 | M1-D7 HydrophobicContact CE-CB 3.76Å; D5-D7 PolarHBondContact O-N 3.34Å; D5-D7 VanDerWaalsContact O-N 3.12Å; D5-D7 WeakPolarHBondContact OD1-CB 3.39Å; D5-D7 PolarHBondContact OD1-N 3.36Å; D7-K9 PolarHBondContact O-N 2.85Å; D7-K9 VanDerWaalsContact O-N 3.14Å; D7-Y10 PolarHBondContact O-N 2.62Å; D7-L11 HydrophobicContact CB-CD1 4.15Å; D7-L11 PolarHBondContact O-N 3.29Å; D7-V132 HydrophobicContact CB-CG2 4.43Å; D7-V132 VanDerWaalsContact OD2-CG2 3.32Å; D7-V132 WeakPolarHBondContact OD2-CG2 3.04Å; D7-K135 IonicContact OD2-NZ 2.67Å; D7-K135 PolarHBondContact OD2-NZ 3.28Å |
| 8 | F | 76.5 | Confident | 75.3 | Confident | 28 Ų | 28 | 66 Ų | 66 | 12% | 0.123 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.8 | -35.4 | -177.9 | -171.8 | -92.3 | 0 | 0 | 0 | 111.8 | M1 D2 P3 D5 P6 Y10 L11 G12 D14 | M1-F8 HydrophobicContact CB-CD2 4.06Å; M1-F8 HydrophobicContact CB-CE2 4.4Å; M1-F8 HydrophobicContact CG-CD2 4.1Å; D2-F8 WeakPolarHBondContact O-CD2 3.42Å; P3-F8 HydrophobicContact CB-CD1 4.39Å; P3-F8 HydrophobicContact CB-CE1 4.13Å; P3-F8 HydrophobicContact CB-CZ 4.25Å; P3-F8 HydrophobicContact CG-CE1 4.47Å; P3-F8 HydrophobicContact CG-CE2 4.34Å; P3-F8 HydrophobicContact CG-CZ 4.1Å; D5-F8 HydrophobicContact CB-CB 4.27Å; D5-F8 WeakPolarHBondContact O-CB 3.28Å; D5-F8 PolarHBondContact O-N 2.73Å; P6-F8 VanDerWaalsContact C-N 3.32Å; F8-Y10 PolarHBondContact O-N 3.26Å; F8-Y10 VanDerWaalsContact O-N 3.11Å; F8-L11 PolarHBondContact O-N 2.87Å; F8-G12 PolarHBondContact O-N 3.44Å; F8-D14 HydrophobicContact CE1-CB 4.28Å; F8-D14 HydrophobicContact CZ-CB 4.39Å |
| 9 | K | 76.4 | Confident | 75.1 | Confident | 135 Ų | 135 | 67.3 Ų | 67.3 | 59% | 0.587 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -53.7 | -30.4 | 176.7 | -178.1 | -175.7 | 169.8 | -158.9 | 0 | 113.9 | D7 | D7-K9 PolarHBondContact O-N 2.85Å; D7-K9 VanDerWaalsContact O-N 3.14Å |
| 10 | Y | 80.7 | Confident | 74.9 | Confident | 54 Ų | 54 | 72.8 Ų | 72.8 | 21% | 0.212 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -112.1 | 1.3 | -175.3 | -51.4 | -76.1 | 0 | 0 | 0 | 113.3 | D7 F8 P126 I127 | D7-Y10 PolarHBondContact O-N 2.62Å; F8-Y10 PolarHBondContact O-N 3.26Å; F8-Y10 VanDerWaalsContact O-N 3.11Å; Y10-P126 HydrophobicContact CD2-CG 3.78Å; Y10-P126 HydrophobicContact CE2-CG 3.67Å; Y10-P126 HydrophobicContact CG-CG 4.31Å; Y10-I127 VanDerWaalsContact CB-CG2 3.44Å; Y10-I127 HydrophobicContact CG-CG2 4.42Å |
| 11 | L | 81.4 | Confident | 74.6 | Confident | 6 Ų | 6 | 76 Ų | 76 | 3% | 0.031 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -130.4 | -38 | -174.7 | -69.5 | 175.4 | 0 | 0 | 0 | 113.5 | M1 D7 F8 I127 V132 Y136 P145 | M1-L11 HydrophobicContact CE-CD1 3.98Å; M1-L11 HydrophobicContact SD-CB 4.27Å; M1-L11 HydrophobicContact SD-CD1 4.28Å; D7-L11 HydrophobicContact CB-CD1 4.15Å; D7-L11 PolarHBondContact O-N 3.29Å; F8-L11 PolarHBondContact O-N 2.87Å; L11-I127 HydrophobicContact CD2-CB 4.06Å; L11-I127 HydrophobicContact CD2-CG2 3.88Å; L11-I127 HydrophobicContact CG-CG2 4.05Å; L11-V132 HydrophobicContact CD1-CG1 4.04Å; L11-V132 HydrophobicContact CD1-CG2 4.38Å; L11-Y136 HydrophobicContact CD1-CE2 4.37Å; L11-P145 WeakPolarHBondContact O-CB 3.43Å; L11-P145 WeakPolarHBondContact O-CG 2.93Å |
| 12 | G | 77.8 | Confident | 74.8 | Confident | 10 Ų | 10 | 75.4 Ų | 75.4 | 10% | 0.103 | 39% | 0.387 | C | S | . | . | trans | -113.5 | 167.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F8 | F8-G12 PolarHBondContact O-N 3.44Š| ||
| 13 | V | 79.8 | Confident | 74.5 | Confident | 21 Ų | 21 | 74.4 Ų | 74.4 | 13% | 0.127 | 39% | 0.392 | C | S | . | . | trans | -129.1 | 125.1 | 171.7 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | R15 L18 L80 L107 | V13-R15 PolarHBondContact O-N 3.13Å; V13-L18 HydrophobicContact CG1-CD2 3.97Å; V13-L80 HydrophobicContact CG1-CB 4.47Å; V13-L80 HydrophobicContact CG1-CD1 4.36Å; V13-L80 HydrophobicContact CG2-CB 4.38Å; V13-L107 HydrophobicContact CG2-CD1 3.42Å; V13-L107 VanDerWaalsContact CG2-CD1 3.42Å | ||
| 14 | D | 80 | Confident | 73.9 | Confident | 63 Ų | 63 | 78.7 Ų | 78.7 | 34% | 0.337 | 41% | 0.411 | S | S | . | . | trans | -72.4 | 92.8 | 169.8 | -177.4 | -5.9 | 0 | 0 | 0 | 109.6 | F8 K16 A17 L18 | F8-D14 HydrophobicContact CE1-CB 4.28Å; F8-D14 HydrophobicContact CZ-CB 4.39Å; D14-K16 PolarHBondContact O-N 3.4Å; D14-K16 WeakPolarHBondContact OD1-CA 3.39Å; D14-K16 WeakPolarHBondContact OD1-CB 3.48Å; D14-K16 PolarHBondContact OD1-N 2.78Å; D14-A17 HydrophobicContact CB-CB 4.03Å; D14-A17 PolarHBondContact O-N 3.15Å; D14-A17 PolarHBondContact OD1-N 2.75Å; D14-A17 WeakPolarHBondContact OD2-CB 3.46Å; D14-L18 WeakPolarHBondContact O-CB 3.13Å; D14-L18 PolarHBondContact O-N 3.08Å | ||
| 15 | R | 75.5 | Confident | 73.3 | Confident | 131 Ų | 131 | 77.1 Ų | 77.1 | 49% | 0.494 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.9 | -30.7 | 174.5 | -77.3 | -164.8 | -176.2 | -161.8 | 7.2 | 113.1 | V13 L19 | V13-R15 PolarHBondContact O-N 3.13Å; R15-L19 VanDerWaalsContact O-CB 3.24Å; R15-L19 WeakPolarHBondContact O-CB 3.35Å; R15-L19 WeakPolarHBondContact O-CD1 2.94Å; R15-L19 WeakPolarHBondContact O-CG 3.35Å; R15-L19 PolarHBondContact O-N 3.13Å |
| 16 | K | 72.7 | Confident | 72.6 | Confident | 182 Ų | 182 | 79.7 Ų | 79.7 | 79% | 0.791 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -73.1 | -40.1 | -179.1 | -72.5 | -178.2 | 177.3 | 175 | 0 | 111.2 | D14 | D14-K16 PolarHBondContact O-N 3.4Å; D14-K16 WeakPolarHBondContact OD1-CA 3.39Å; D14-K16 WeakPolarHBondContact OD1-CB 3.48Å; D14-K16 PolarHBondContact OD1-N 2.78Å |
| 17 | A | 74.3 | Confident | 72 | Confident | 45 Ų | 45 | 78.5 Ų | 78.5 | 37% | 0.372 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65 | -49.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | D14 L19 K20 E21 | D14-A17 HydrophobicContact CB-CB 4.03Å; D14-A17 PolarHBondContact O-N 3.15Å; D14-A17 PolarHBondContact OD1-N 2.75Å; D14-A17 WeakPolarHBondContact OD2-CB 3.46Å; A17-L19 PolarHBondContact O-N 2.8Å; A17-K20 WeakPolarHBondContact O-CA 3.12Å; A17-K20 WeakPolarHBondContact O-CB 3.27Å; A17-K20 PolarHBondContact O-N 2.7Å; A17-E21 PolarHBondContact O-N 2.69Å; A17-E21 VanDerWaalsContact O-N 3.07Å |
| 18 | L | 75.3 | Confident | 71.5 | Confident | 10 Ų | 10 | 85.5 Ų | 85.5 | 5% | 0.052 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | -175.5 | -168.1 | 74.5 | 0 | 0 | 0 | 113.1 | V13 D14 K20 E21 L22 F79 L80 | V13-L18 HydrophobicContact CG1-CD2 3.97Å; D14-L18 WeakPolarHBondContact O-CB 3.13Å; D14-L18 PolarHBondContact O-N 3.08Å; L18-K20 PolarHBondContact O-N 2.76Å; L18-E21 PolarHBondContact O-N 2.81Å; L18-L22 HydrophobicContact CD1-CD1 4.08Å; L18-L22 HydrophobicContact CD2-CD1 4.37Å; L18-L22 HydrophobicContact CG-CD1 3.78Å; L18-L22 WeakPolarHBondContact O-CG 3.31Å; L18-L22 PolarHBondContact O-N 2.8Å; L18-L22 VanDerWaalsContact O-N 3.12Å; L18-F79 HydrophobicContact CD1-CD1 4.11Å; L18-F79 HydrophobicContact CD1-CE1 4.45Å; L18-F79 HydrophobicContact CD2-CD1 4.21Å; L18-L80 HydrophobicContact CD1-CD1 3.84Å; L18-L80 HydrophobicContact CD2-CB 4.27Å; L18-L80 HydrophobicContact CD2-CD1 3.91Å |
| 19 | L | 71.9 | Confident | 71.5 | Confident | 90 Ų | 90 | 88.1 Ų | 88.1 | 47% | 0.471 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.2 | -21.8 | 175.3 | -73.7 | 168.4 | 0 | 0 | 0 | 113 | R15 A17 K77 | R15-L19 VanDerWaalsContact O-CB 3.24Å; R15-L19 WeakPolarHBondContact O-CB 3.35Å; R15-L19 WeakPolarHBondContact O-CD1 2.94Å; R15-L19 WeakPolarHBondContact O-CG 3.35Å; R15-L19 PolarHBondContact O-N 3.13Å; A17-L19 PolarHBondContact O-N 2.8Å; L19-K77 HydrophobicContact CD2-CB 3.73Å |
| 20 | K | 71.6 | Confident | 71.7 | Confident | 178 Ų | 178 | 82.8 Ų | 82.8 | 77% | 0.774 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -86.4 | -31.1 | 178.2 | -165.8 | -177.7 | 179.5 | -172.9 | 0 | 112.4 | A17 L18 | A17-K20 WeakPolarHBondContact O-CA 3.12Å; A17-K20 WeakPolarHBondContact O-CB 3.27Å; A17-K20 PolarHBondContact O-N 2.7Å; L18-K20 PolarHBondContact O-N 2.76Å |
| 21 | E | 68.8 | Low | 72 | Confident | 139 Ų | 139 | 80.9 Ų | 80.9 | 65% | 0.65 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -69 | -39.9 | 170.8 | -65.9 | -175.4 | 127 | 0 | 0 | 111.6 | A17 L18 A23 | A17-E21 PolarHBondContact O-N 2.69Å; A17-E21 VanDerWaalsContact O-N 3.07Å; L18-E21 PolarHBondContact O-N 2.81Å; E21-A23 PolarHBondContact O-N 3.46Å |
| 22 | L | 68.4 | Low | 72.4 | Confident | 57 Ų | 57 | 81.4 Ų | 81.4 | 30% | 0.298 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 22 | -168.4 | -61.3 | 172.3 | 0 | 0 | 0 | 115.2 | L18 N24 P76 F79 | L18-L22 HydrophobicContact CD1-CD1 4.08Å; L18-L22 HydrophobicContact CD2-CD1 4.37Å; L18-L22 HydrophobicContact CG-CD1 3.78Å; L18-L22 WeakPolarHBondContact O-CG 3.31Å; L18-L22 PolarHBondContact O-N 2.8Å; L18-L22 VanDerWaalsContact O-N 3.12Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 3.2Å; L22-P76 HydrophobicContact CB-CB 3.57Å; L22-P76 HydrophobicContact CB-CG 4.43Å; L22-P76 HydrophobicContact CD1-CB 3.92Å; L22-P76 HydrophobicContact CG-CB 4.24Å; L22-F79 HydrophobicContact CD1-CB 3.85Å; L22-F79 HydrophobicContact CD1-CD1 3.75Å; L22-F79 HydrophobicContact CD1-CG 4.1Å |
| 23 | A | 60.8 | Low | 72.9 | Confident | 74 Ų | 74 | 80.9 Ų | 80.9 | 61% | 0.612 | 41% | 0.412 | S | S | * | . | trans | -71.1 | -17.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | E21 | E21-A23 PolarHBondContact O-N 3.46Š| ||
| 24 | N | 59.5 | Low | 73.2 | Confident | 167 Ų | 167 | 85.2 Ų | 85.2 | 89% | 0.893 | 43% | 0.431 | S | S | * | . | trans | -102.4 | 77.1 | -174 | -68.8 | -7.1 | 0 | 0 | 0 | 111.9 | L22 | L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 3.2Å | ||
| 25 | F | 61.7 | Low | 73.4 | Confident | 66 Ų | 66 | 84.4 Ų | 84.4 | 29% | 0.289 | 43% | 0.427 | S | S | . | . | trans | -139.8 | 127 | 178.4 | 179.1 | -94.8 | 0 | 0 | 0 | 111.8 | S27 V30 V73 P76 | F25-S27 VanDerWaalsContact CE1-CA 3.48Å; F25-V30 HydrophobicContact CE2-CB 4.2Å; F25-V30 HydrophobicContact CE2-CG2 4.17Å; F25-V30 HydrophobicContact CZ-CB 4.49Å; F25-V73 HydrophobicContact CE2-CG1 3.94Å; F25-V73 HydrophobicContact CZ-CB 4.1Å; F25-V73 HydrophobicContact CZ-CG1 3.62Å; F25-P76 HydrophobicContact CB-CG 3.52Å; F25-P76 HydrophobicContact CD1-CG 3.92Å; F25-P76 HydrophobicContact CD2-CG 4.01Å; F25-P76 HydrophobicContact CG-CG 3.56Å | ||
| 26 | D | 60.5 | Low | 73.6 | Confident | 87 Ų | 87 | 87 Ų | 87 | 47% | 0.465 | 45% | 0.445 | S | S | . | . | trans | -100 | 115.3 | 170 | -173.3 | -15.9 | 0 | 0 | 0 | 109.5 | K28 | D26-K28 PolarHBondContact O-N 2.71Å; D26-K28 PolarHBondContact OD1-N 3.32Å | ||
| 27 | S | 61.5 | Low | 74 | Confident | 82 Ų | 82 | 87 Ų | 87 | 57% | 0.573 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 3 | -175.7 | 65.1 | 0 | 0 | 0 | 0 | 115 | F25 | F25-S27 VanDerWaalsContact CE1-CA 3.48Š|
| 28 | K | 66.6 | Low | 74.3 | Confident | 171 Ų | 171 | 89.3 Ų | 89.3 | 74% | 0.743 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -26.9 | -178.9 | -70.2 | -166.7 | 170.9 | -166.5 | 0 | 114.9 | D26 | D26-K28 PolarHBondContact O-N 2.71Å; D26-K28 PolarHBondContact OD1-N 3.32Å |
| 29 | N | 76.3 | Confident | 74.7 | Confident | 82 Ų | 82 | 88.9 Ų | 88.9 | 44% | 0.439 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -12.6 | -168.7 | -55.9 | -21 | 0 | 0 | 0 | 113.5 | D44 I45 | N29-D44 CarbonylContact O-C 3.46Å; N29-D44 WeakPolarHBondContact O-CA 3.49Å; N29-I45 PolarHBondContact O-N 3.07Å |
| 30 | V | 81.7 | Confident | 75.6 | Confident | 24 Ų | 24 | 85.9 Ų | 85.9 | 15% | 0.145 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.3 | -175.2 | -161.4 | 0 | 0 | 0 | 0 | 110.9 | F25 L42 V73 | F25-V30 HydrophobicContact CE2-CB 4.2Å; F25-V30 HydrophobicContact CE2-CG2 4.17Å; F25-V30 HydrophobicContact CZ-CB 4.49Å; V30-L42 HydrophobicContact CG1-CB 4.21Å; V30-L42 HydrophobicContact CG1-CD2 4.02Å; V30-V73 HydrophobicContact CG1-CG2 4.31Å; V30-V73 WeakPolarHBondContact O-CG2 3.39Å |
| 31 | I | 87 | Confident | 76.3 | Confident | 14 Ų | 14 | 78.8 Ų | 78.8 | 7% | 0.072 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 158.8 | 178.3 | 48.4 | 171 | 0 | 0 | 0 | 111.3 | V33 L42 A43 I45 I53 V55 A70 | I31-V33 HydrophobicContact CD1-CG1 4.13Å; I31-V33 HydrophobicContact CG1-CG1 4.44Å; I31-L42 WeakPolarHBondContact O-CA 3.43Å; I31-A43 PolarHBondContact N-O 2.97Å; I31-A43 PolarHBondContact O-N 3.11Å; I31-I45 HydrophobicContact CD1-CD1 4.14Å; I31-I45 HydrophobicContact CD1-CG1 3.7Å; I31-I45 HydrophobicContact CG1-CD1 4.36Å; I31-I45 HydrophobicContact CG1-CG1 3.87Å; I31-I45 HydrophobicContact CG2-CD1 4.01Å; I31-I45 HydrophobicContact CG2-CG1 4.43Å; I31-I53 HydrophobicContact CD1-CD1 4.22Å; I31-I53 HydrophobicContact CD1-CG2 4.41Å; I31-V55 HydrophobicContact CD1-CG1 3.63Å; I31-A70 HydrophobicContact CD1-CB 3.7Å |
| 32 | W | 88.9 | Confident | 77.2 | Confident | 16 Ų | 16 | 74.3 Ų | 74.3 | 6% | 0.061 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 138.5 | 165.7 | -66.7 | 114.4 | 0 | 0 | 0 | 109.8 | V41 L42 A70 Q71 V73 A93 E97 | W32-V41 WeakPolarHBondContact CA-O 3.23Å; W32-V41 VanDerWaalsContact CE3-C 3.45Å; W32-L42 HydrophobicContact CD2-CD2 3.72Å; W32-L42 HydrophobicContact CE3-CD2 3.72Å; W32-L42 HydrophobicContact CE3-CG 4.03Å; W32-L42 HydrophobicContact CG-CD2 4.49Å; W32-L42 HydrophobicContact CH2-CD1 4.48Å; W32-L42 HydrophobicContact CH2-CD2 3.71Å; W32-L42 HydrophobicContact CH2-CG 3.83Å; W32-L42 HydrophobicContact CZ2-CD2 3.74Å; W32-L42 HydrophobicContact CZ2-CG 4.36Å; W32-L42 HydrophobicContact CZ3-CD2 3.72Å; W32-L42 HydrophobicContact CZ3-CG 3.67Å; W32-A70 CarbonylContact O-C 3.55Å; W32-A70 WeakPolarHBondContact O-CA 3.41Å; W32-Q71 HydrophobicContact CB-CB 4.1Å; W32-Q71 WeakPolarHBondContact CB-O 3.24Å; W32-Q71 PolarHBondContact N-O 3.4Å; W32-Q71 PolarHBondContact O-N 3.45Å; W32-V73 HydrophobicContact CD2-CG2 4.26Å; W32-V73 HydrophobicContact CG-CG2 3.94Å; W32-A93 HydrophobicContact CB-CB 3.61Å; W32-A93 HydrophobicContact CD2-CB 3.71Å; W32-A93 HydrophobicContact CE3-CB 4.29Å; W32-A93 HydrophobicContact CG-CB 3.37Å; W32-E97 HydrophobicContact CH2-CB 3.86Å; W32-E97 HydrophobicContact CH2-CG 3.64Å; W32-E97 HydrophobicContact CZ2-CB 3.85Å; W32-E97 HydrophobicContact CZ2-CG 3.81Å |
| 33 | V | 88.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153.1 | 173.7 | -67.8 | 0 | 0 | 0 | 0 | 110.2 | I31 Y40 V41 A43 V55 L57 V65 | I31-V33 HydrophobicContact CD1-CG1 4.13Å; I31-V33 HydrophobicContact CG1-CG1 4.44Å; V33-Y40 WeakPolarHBondContact O-CA 3.49Å; V33-V41 HydrophobicContact CG2-CG2 4.13Å; V33-V41 PolarHBondContact N-O 2.69Å; V33-V41 PolarHBondContact O-N 3.27Å; V33-A43 HydrophobicContact CG2-CB 3.64Å; V33-V55 HydrophobicContact CG1-CG1 4.47Å; V33-V55 HydrophobicContact CG1-CG2 4.3Å; V33-V55 HydrophobicContact CG2-CG2 4.32Å; V33-L57 HydrophobicContact CG2-CD2 3.82Å; V33-V65 HydrophobicContact CG1-CG2 4.08Å |
| 34 | E | 85 | Confident | 79.3 | Confident | 111 Ų | 111 | 72.2 Ų | 72.2 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 141 | -174.1 | -166.9 | 175.2 | -142.4 | 0 | 0 | 112.9 | G39 Y40 K63 | E34-G39 CarbonylContact C-O 3.59Å; E34-G39 VanDerWaalsContact CA-O 3.31Å; E34-G39 WeakPolarHBondContact CA-O 3.18Å; E34-Y40 HydrophobicContact CB-CD1 4.37Å; E34-Y40 HydrophobicContact CB-CE1 4.08Å; E34-Y40 HydrophobicContact CG-CE1 4.39Å; E34-K63 PolarHBondContact O-NZ 2.69Å |
| 35 | D | 84.1 | Confident | 80.5 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 25% | 0.251 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 133.8 | -177.7 | 177 | 77.5 | 0 | 0 | 0 | 112.3 | K37 E38 G39 V41 | D35-K37 PolarHBondContact O-N 3.47Å; D35-K37 WeakPolarHBondContact OD2-CA 3.41Å; D35-K37 WeakPolarHBondContact OD2-CB 3.49Å; D35-K37 PolarHBondContact OD2-N 2.65Å; D35-E38 PolarHBondContact OD2-N 2.81Å; D35-G39 PolarHBondContact N-O 3.44Å; D35-G39 VanDerWaalsContact O-CA 3.29Å; D35-G39 WeakPolarHBondContact O-CA 3.16Å; D35-G39 PolarHBondContact O-N 3.33Å; D35-V41 HydrophobicContact CB-CG1 3.87Å; D35-V41 HydrophobicContact CB-CG2 3.9Å |
| 36 | E | 80.2 | Confident | 81.7 | Confident | 186 Ų | 186 | 69.1 Ų | 69.1 | 87% | 0.869 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -8.3 | -174.4 | -61.8 | -177 | 164.7 | 0 | 0 | 114.9 | H674 | E36-H674 PolarHBondContact O-CE1 2.87Š|
| 37 | K | 80.7 | Confident | 82.7 | Confident | 181 Ų | 181 | 68.8 Ų | 68.8 | 79% | 0.787 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | -51.8 | 177.5 | -75.2 | 179.4 | 175.4 | 173.9 | 0 | 113.4 | D35 | D35-K37 PolarHBondContact O-N 3.47Å; D35-K37 WeakPolarHBondContact OD2-CA 3.41Å; D35-K37 WeakPolarHBondContact OD2-CB 3.49Å; D35-K37 PolarHBondContact OD2-N 2.65Å |
| 38 | E | 80.6 | Confident | 83.7 | Confident | 93 Ų | 93 | 68.6 Ų | 68.6 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -1.6 | -174.9 | -74.6 | -76.9 | 174.9 | 0 | 0 | 112.9 | D35 Y40 V41 R100 A673 | D35-E38 PolarHBondContact OD2-N 2.81Å; E38-Y40 PolarHBondContact O-N 2.76Å; E38-V41 HydrophobicContact CB-CG1 3.56Å; E38-V41 HydrophobicContact CG-CG1 4.17Å; E38-R100 PolarHBondContact O-NH1 2.71Å; E38-R100 IonicContact OE2-CZ 3.73Å; E38-R100 IonicContact OE2-NH1 3.54Å; E38-R100 PolarHBondContact OE2-NH1 3.04Å; E38-A673 VanDerWaalsContact C-CB 3.42Å; E38-A673 WeakPolarHBondContact O-CB 3.07Å |
| 39 | G | 85.6 | Confident | 84.2 | Confident | 2 Ų | 2 | 64 Ų | 64 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.4 | -62.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E34 D35 | E34-G39 CarbonylContact C-O 3.59Å; E34-G39 VanDerWaalsContact CA-O 3.31Å; E34-G39 WeakPolarHBondContact CA-O 3.18Å; D35-G39 PolarHBondContact N-O 3.44Å; D35-G39 VanDerWaalsContact O-CA 3.29Å; D35-G39 WeakPolarHBondContact O-CA 3.16Å; D35-G39 PolarHBondContact O-N 3.33Å |
| 40 | Y | 89.1 | Confident | 84.4 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 11% | 0.106 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 135 | 173 | -66.9 | -71.5 | 0 | 0 | 0 | 112.2 | V33 E34 E38 Q71 D92 A93 L96 R100 L677 | V33-Y40 WeakPolarHBondContact O-CA 3.49Å; E34-Y40 HydrophobicContact CB-CD1 4.37Å; E34-Y40 HydrophobicContact CB-CE1 4.08Å; E34-Y40 HydrophobicContact CG-CE1 4.39Å; E38-Y40 PolarHBondContact O-N 2.76Å; Y40-Q71 PolarHBondContact OH-NE2 2.63Å; Y40-D92 HydrophobicContact CE2-CB 3.97Å; Y40-A93 HydrophobicContact CD1-CB 4.03Å; Y40-A93 HydrophobicContact CD2-CB 3.7Å; Y40-A93 HydrophobicContact CE2-CB 4.38Å; Y40-A93 HydrophobicContact CG-CB 3.49Å; Y40-A93 VanDerWaalsContact CG-CB 3.49Å; Y40-L96 HydrophobicContact CD2-CD2 4.27Å; Y40-R100 PolarHBondContact O-NH2 2.92Å; Y40-R100 VanDerWaalsContact O-NH2 3.14Å; Y40-L677 HydrophobicContact CD2-CD1 4.07Å; Y40-L677 HydrophobicContact CD2-CD2 4.46Å; Y40-L677 HydrophobicContact CE2-CD1 3.8Å; Y40-L677 HydrophobicContact CE2-CD2 4.06Å |
| 41 | V | 87.7 | Confident | 84.3 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 17% | 0.17 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 154.1 | 178.5 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | W32 V33 D35 E38 L57 | W32-V41 WeakPolarHBondContact CA-O 3.23Å; W32-V41 VanDerWaalsContact CE3-C 3.45Å; V33-V41 HydrophobicContact CG2-CG2 4.13Å; V33-V41 PolarHBondContact N-O 2.69Å; V33-V41 PolarHBondContact O-N 3.27Å; D35-V41 HydrophobicContact CB-CG1 3.87Å; D35-V41 HydrophobicContact CB-CG2 3.9Å; E38-V41 HydrophobicContact CB-CG1 3.56Å; E38-V41 HydrophobicContact CG-CG1 4.17Å; V41-L57 HydrophobicContact CG2-CD2 3.45Å; V41-L57 VanDerWaalsContact CG2-CD2 3.45Å |
| 42 | L | 87 | Confident | 84.1 | Confident | 45 Ų | 45 | 66 Ų | 66 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 134.8 | 173.8 | -64 | 172.3 | 0 | 0 | 0 | 110.3 | V30 I31 W32 V73 | V30-L42 HydrophobicContact CG1-CB 4.21Å; V30-L42 HydrophobicContact CG1-CD2 4.02Å; I31-L42 WeakPolarHBondContact O-CA 3.43Å; W32-L42 HydrophobicContact CD2-CD2 3.72Å; W32-L42 HydrophobicContact CE3-CD2 3.72Å; W32-L42 HydrophobicContact CE3-CG 4.03Å; W32-L42 HydrophobicContact CG-CD2 4.49Å; W32-L42 HydrophobicContact CH2-CD1 4.48Å; W32-L42 HydrophobicContact CH2-CD2 3.71Å; W32-L42 HydrophobicContact CH2-CG 3.83Å; W32-L42 HydrophobicContact CZ2-CD2 3.74Å; W32-L42 HydrophobicContact CZ2-CG 4.36Å; W32-L42 HydrophobicContact CZ3-CD2 3.72Å; W32-L42 HydrophobicContact CZ3-CG 3.67Å; L42-V73 HydrophobicContact CD2-CB 4.44Å; L42-V73 HydrophobicContact CD2-CG1 4.01Å; L42-V73 HydrophobicContact CD2-CG2 3.46Å; L42-V73 VanDerWaalsContact CD2-CG2 3.46Å |
| 43 | A | 86.5 | Confident | 83.9 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 147.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I31 V33 V55 A56 L57 | I31-A43 PolarHBondContact N-O 2.97Å; I31-A43 PolarHBondContact O-N 3.11Å; V33-A43 HydrophobicContact CG2-CB 3.64Å; A43-V55 HydrophobicContact CB-CB 3.83Å; A43-V55 HydrophobicContact CB-CG2 3.73Å; A43-A56 CarbonylContact C-O 3.51Å; A43-A56 WeakPolarHBondContact CA-O 2.88Å; A43-A56 WeakPolarHBondContact CB-O 3.32Å; A43-L57 HydrophobicContact CB-CD2 4.16Å |
| 44 | D | 86.5 | Confident | 83.8 | Confident | 87 Ų | 87 | 66.5 Ų | 66.5 | 47% | 0.465 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 131.3 | 176.4 | -66.2 | -44.8 | 0 | 0 | 0 | 110.5 | N29 K46 V55 A56 | N29-D44 CarbonylContact O-C 3.46Å; N29-D44 WeakPolarHBondContact O-CA 3.49Å; D44-K46 PolarHBondContact O-N 2.71Å; D44-V55 CarbonylContact O-C 3.59Å; D44-V55 WeakPolarHBondContact O-CA 3.22Å; D44-A56 PolarHBondContact N-O 3.45Å; D44-A56 PolarHBondContact O-N 2.73Å |
| 45 | I | 85.4 | Confident | 83.9 | Confident | 53 Ų | 53 | 61.2 Ų | 61.2 | 27% | 0.272 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 121.1 | 174.3 | -59.8 | 176.6 | 0 | 0 | 0 | 109.1 | N29 I31 I53 | N29-I45 PolarHBondContact O-N 3.07Å; I31-I45 HydrophobicContact CD1-CD1 4.14Å; I31-I45 HydrophobicContact CD1-CG1 3.7Å; I31-I45 HydrophobicContact CG1-CD1 4.36Å; I31-I45 HydrophobicContact CG1-CG1 3.87Å; I31-I45 HydrophobicContact CG2-CD1 4.01Å; I31-I45 HydrophobicContact CG2-CG1 4.43Å; I45-I53 HydrophobicContact CB-CG2 4.45Å; I45-I53 HydrophobicContact CG1-CG2 4.11Å; I45-I53 HydrophobicContact CG2-CG2 3.81Å |
| 46 | K | 85.8 | Confident | 84 | Confident | 114 Ų | 114 | 59.5 Ų | 59.5 | 50% | 0.496 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -42.8 | 173.8 | -85.9 | -176.8 | 170.6 | 167.4 | 0 | 113.2 | D44 T54 A56 E62 | D44-K46 PolarHBondContact O-N 2.71Å; K46-T54 PolarHBondContact N-O 2.74Å; K46-A56 HydrophobicContact CD-CB 3.89Å; K46-A56 HydrophobicContact CG-CB 4.15Å; K46-E62 HydrophobicContact CD-CG 4.09Å; K46-E62 VanDerWaalsContact CD-OE1 3.29Å; K46-E62 WeakPolarHBondContact CD-OE1 3.48Å; K46-E62 WeakPolarHBondContact CE-OE1 3.41Å; K46-E62 IonicContact NZ-OE1 2.67Å; K46-E62 PolarHBondContact NZ-OE1 2.64Å |
| 47 | D | 83 | Confident | 84.1 | Confident | 81 Ų | 81 | 52 Ų | 52 | 43% | 0.433 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 156.8 | 179.1 | -179.4 | 45.4 | 0 | 0 | 0 | 110.5 | T49 T54 | D47-T49 PolarHBondContact OD2-OG1 3.33Å; D47-T54 PolarHBondContact N-O 3.18Å; D47-T54 PolarHBondContact O-N 3.46Å |
| 48 | T | 82.1 | Confident | 83.8 | Confident | 78 Ų | 78 | 51.8 Ų | 51.8 | 48% | 0.479 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 105.6 | 176.1 | -56.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 49 | T | 77.1 | Confident | 83.6 | Confident | 74 Ų | 74 | 53.4 Ų | 53.4 | 45% | 0.454 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 91.6 | -172.1 | 2.1 | 0 | 0 | 0 | 0 | 109.8 | D47 T52 | D47-T49 PolarHBondContact OD2-OG1 3.33Å; T49-T52 PolarHBondContact N-O 2.8Å; T49-T52 PolarHBondContact O-N 2.95Å |
| 50 | G | 80.2 | Confident | 83.1 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | -136.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T52 | G50-T52 PolarHBondContact O-N 3.16Š|
| 51 | D | 80.3 | Confident | 82.7 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 28% | 0.283 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 10.3 | 177.6 | -54.2 | -39.6 | 0 | 0 | 0 | 112.8 | K67 R1330 | D51-K67 WeakPolarHBondContact O-CB 3.22Å; D51-K67 PolarHBondContact O-N 2.69Å; D51-R1330 IonicContact OD1-CZ 3.18Å; D51-R1330 IonicContact OD1-NH1 2.72Å; D51-R1330 PolarHBondContact OD1-NH1 2.8Å; D51-R1330 WeakPolarHBondContact OD2-CD 3.35Å; D51-R1330 IonicContact OD2-CZ 3.9Å; D51-R1330 IonicContact OD2-NE 2.79Å; D51-R1330 IonicContact OD2-NH1 3.27Å; D51-R1330 PolarHBondContact OD2-NH1 3.32Å |
| 52 | T | 81.2 | Confident | 82.5 | Confident | 51 Ų | 51 | 61.3 Ų | 61.3 | 31% | 0.313 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 128.7 | 174.5 | -48.6 | 0 | 0 | 0 | 0 | 111 | T49 G50 K64 V65 | T49-T52 PolarHBondContact N-O 2.8Å; T49-T52 PolarHBondContact O-N 2.95Å; G50-T52 PolarHBondContact O-N 3.16Å; T52-K64 HydrophobicContact CG2-CB 3.91Å; T52-K64 HydrophobicContact CG2-CD 4.17Å; T52-K64 HydrophobicContact CG2-CG 4.39Å; T52-V65 WeakPolarHBondContact CA-O 3.43Å; T52-V65 WeakPolarHBondContact CG2-O 3.32Å |
| 53 | I | 86.1 | Confident | 82.3 | Confident | 13 Ų | 13 | 62.9 Ų | 62.9 | 7% | 0.067 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 135.1 | 173.1 | -40.4 | -175.8 | 0 | 0 | 0 | 108.7 | I31 I45 V55 K64 V65 K67 A70 | I31-I53 HydrophobicContact CD1-CD1 4.22Å; I31-I53 HydrophobicContact CD1-CG2 4.41Å; I45-I53 HydrophobicContact CB-CG2 4.45Å; I45-I53 HydrophobicContact CG1-CG2 4.11Å; I45-I53 HydrophobicContact CG2-CG2 3.81Å; I53-V55 HydrophobicContact CB-CG1 4.11Å; I53-V55 HydrophobicContact CG2-CG1 3.78Å; I53-K64 WeakPolarHBondContact O-CA 3.2Å; I53-V65 PolarHBondContact N-O 3.22Å; I53-V65 PolarHBondContact O-N 3.43Å; I53-K67 HydrophobicContact CD1-CB 4.49Å; I53-K67 HydrophobicContact CG1-CB 4.41Å; I53-A70 HydrophobicContact CD1-CB 3.63Å |
| 54 | T | 86.3 | Confident | 82.3 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 7% | 0.074 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 116.7 | 168.8 | -51.1 | 0 | 0 | 0 | 0 | 108.3 | K46 D47 K64 | K46-T54 PolarHBondContact N-O 2.74Å; D47-T54 PolarHBondContact N-O 3.18Å; D47-T54 PolarHBondContact O-N 3.46Å; T54-K64 HydrophobicContact CG2-CG 4.3Å; T54-K64 WeakPolarHBondContact OG1-CE 3.42Å |
| 55 | V | 86.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 144.3 | -170.6 | -45.8 | 0 | 0 | 0 | 0 | 110.8 | I31 V33 A43 D44 I53 E62 K63 V65 | I31-V55 HydrophobicContact CD1-CG1 3.63Å; V33-V55 HydrophobicContact CG1-CG1 4.47Å; V33-V55 HydrophobicContact CG1-CG2 4.3Å; V33-V55 HydrophobicContact CG2-CG2 4.32Å; A43-V55 HydrophobicContact CB-CB 3.83Å; A43-V55 HydrophobicContact CB-CG2 3.73Å; D44-V55 CarbonylContact O-C 3.59Å; D44-V55 WeakPolarHBondContact O-CA 3.22Å; I53-V55 HydrophobicContact CB-CG1 4.11Å; I53-V55 HydrophobicContact CG2-CG1 3.78Å; V55-E62 CarbonylContact O-C 3.59Å; V55-E62 VanDerWaalsContact O-CA 3.31Å; V55-E62 WeakPolarHBondContact O-CA 3.24Å; V55-K63 HydrophobicContact CG2-CB 4.07Å; V55-K63 PolarHBondContact N-O 2.81Å; V55-K63 PolarHBondContact O-N 3.35Å; V55-V65 HydrophobicContact CB-CG2 4.48Å; V55-V65 HydrophobicContact CG1-CG2 3.93Å; V55-V65 HydrophobicContact CG2-CG2 3.68Å |
| 56 | A | 86.5 | Confident | 82.1 | Confident | 12 Ų | 12 | 67.5 Ų | 67.5 | 10% | 0.099 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 118.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | A43 D44 K46 S61 | A43-A56 CarbonylContact C-O 3.51Å; A43-A56 WeakPolarHBondContact CA-O 2.88Å; A43-A56 WeakPolarHBondContact CB-O 3.32Å; D44-A56 PolarHBondContact N-O 3.45Å; D44-A56 PolarHBondContact O-N 2.73Å; K46-A56 HydrophobicContact CD-CB 3.89Å; K46-A56 HydrophobicContact CG-CB 4.15Å; A56-S61 WeakPolarHBondContact CA-O 3.3Å |
| 57 | L | 82.2 | Confident | 81.7 | Confident | 29 Ų | 29 | 66 Ų | 66 | 15% | 0.152 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 163.4 | 174.9 | -71.7 | 163.7 | 0 | 0 | 0 | 111.1 | V33 V41 A43 D59 G60 S61 K63 | V33-L57 HydrophobicContact CG2-CD2 3.82Å; V41-L57 HydrophobicContact CG2-CD2 3.45Å; V41-L57 VanDerWaalsContact CG2-CD2 3.45Å; A43-L57 HydrophobicContact CB-CD2 4.16Å; L57-D59 VanDerWaalsContact CB-OD1 3.32Å; L57-D59 WeakPolarHBondContact CB-OD1 3.37Å; L57-D59 PolarHBondContact O-N 2.77Å; L57-D59 VanDerWaalsContact O-N 3.07Å; L57-G60 WeakPolarHBondContact O-CA 3.46Å; L57-G60 PolarHBondContact O-N 2.67Å; L57-S61 WeakPolarHBondContact CD1-OG 3.23Å; L57-S61 PolarHBondContact N-O 2.68Å; L57-K63 HydrophobicContact CD1-CB 4.07Å; L57-K63 HydrophobicContact CD1-CD 4.24Å |
| 58 | K | 74 | Confident | 81.4 | Confident | 176 Ų | 176 | 65.1 Ų | 65.1 | 77% | 0.765 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.7 | -179.6 | -85.4 | -178 | 174.8 | 173.7 | 0 | 115.3 | G60 | K58-G60 VanDerWaalsContact C-N 3.34Š|
| 59 | D | 75.8 | Confident | 81.2 | Confident | 126 Ų | 126 | 64.7 Ų | 64.7 | 67% | 0.674 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4.5 | 174.3 | 69.8 | -16.6 | 0 | 0 | 0 | 113.3 | L57 S61 | L57-D59 VanDerWaalsContact CB-OD1 3.32Å; L57-D59 WeakPolarHBondContact CB-OD1 3.37Å; L57-D59 PolarHBondContact O-N 2.77Å; L57-D59 VanDerWaalsContact O-N 3.07Å; D59-S61 VanDerWaalsContact OD1-CB 3.3Å; D59-S61 WeakPolarHBondContact OD1-CB 2.99Å; D59-S61 PolarHBondContact OD1-N 3.34Å; D59-S61 PolarHBondContact OD1-OG 2.71Å; D59-S61 PolarHBondContact OD2-OG 2.99Å |
| 60 | G | 74.8 | Confident | 81.4 | Confident | 53 Ų | 53 | 61.9 Ų | 61.9 | 55% | 0.546 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 89.8 | -1.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L57 K58 | L57-G60 WeakPolarHBondContact O-CA 3.46Å; L57-G60 PolarHBondContact O-N 2.67Å; K58-G60 VanDerWaalsContact C-N 3.34Å |
| 61 | S | 81 | Confident | 81.6 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | trans | -72.7 | 146.5 | 177.5 | 67.2 | 0 | 0 | 0 | 0 | 111.9 | A56 L57 D59 | A56-S61 WeakPolarHBondContact CA-O 3.3Å; L57-S61 WeakPolarHBondContact CD1-OG 3.23Å; L57-S61 PolarHBondContact N-O 2.68Å; D59-S61 VanDerWaalsContact OD1-CB 3.3Å; D59-S61 WeakPolarHBondContact OD1-CB 2.99Å; D59-S61 PolarHBondContact OD1-N 3.34Å; D59-S61 PolarHBondContact OD1-OG 2.71Å; D59-S61 PolarHBondContact OD2-OG 2.99Å | ||
| 62 | E | 84.4 | Confident | 81.7 | Confident | 124 Ų | 124 | 63.3 Ų | 63.3 | 58% | 0.579 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 117.8 | 177.2 | -70.5 | -178.9 | -172.1 | 0 | 0 | 110.4 | K46 V55 | K46-E62 HydrophobicContact CD-CG 4.09Å; K46-E62 VanDerWaalsContact CD-OE1 3.29Å; K46-E62 WeakPolarHBondContact CD-OE1 3.48Å; K46-E62 WeakPolarHBondContact CE-OE1 3.41Å; K46-E62 IonicContact NZ-OE1 2.67Å; K46-E62 PolarHBondContact NZ-OE1 2.64Å; V55-E62 CarbonylContact O-C 3.59Å; V55-E62 VanDerWaalsContact O-CA 3.31Å; V55-E62 WeakPolarHBondContact O-CA 3.24Å |
| 63 | K | 82.9 | Confident | 81.8 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 34% | 0.339 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 137.9 | 175.5 | -168.4 | 174.6 | 175.8 | 175.9 | 0 | 108.5 | E34 V55 L57 V65 | E34-K63 PolarHBondContact O-NZ 2.69Å; V55-K63 HydrophobicContact CG2-CB 4.07Å; V55-K63 PolarHBondContact N-O 2.81Å; V55-K63 PolarHBondContact O-N 3.35Å; L57-K63 HydrophobicContact CD1-CB 4.07Å; L57-K63 HydrophobicContact CD1-CD 4.24Å; K63-V65 HydrophobicContact CG-CG2 4.27Å |
| 64 | K | 85.1 | Confident | 81.4 | Confident | 137 Ų | 137 | 61.9 Ų | 61.9 | 60% | 0.596 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 132.5 | 165.2 | -71.8 | -159.9 | 174.6 | -148.6 | 0 | 108.5 | T52 I53 T54 | T52-K64 HydrophobicContact CG2-CB 3.91Å; T52-K64 HydrophobicContact CG2-CD 4.17Å; T52-K64 HydrophobicContact CG2-CG 4.39Å; I53-K64 WeakPolarHBondContact O-CA 3.2Å; T54-K64 HydrophobicContact CG2-CG 4.3Å; T54-K64 WeakPolarHBondContact OG1-CE 3.42Å |
| 65 | V | 84.2 | Confident | 80.7 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 7% | 0.067 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 149.2 | -172.9 | -130.8 | 0 | 0 | 0 | 0 | 108.1 | V33 T52 I53 V55 K63 D69 | V33-V65 HydrophobicContact CG1-CG2 4.08Å; T52-V65 WeakPolarHBondContact CA-O 3.43Å; T52-V65 WeakPolarHBondContact CG2-O 3.32Å; I53-V65 PolarHBondContact N-O 3.22Å; I53-V65 PolarHBondContact O-N 3.43Å; V55-V65 HydrophobicContact CB-CG2 4.48Å; V55-V65 HydrophobicContact CG1-CG2 3.93Å; V55-V65 HydrophobicContact CG2-CG2 3.68Å; K63-V65 HydrophobicContact CG-CG2 4.27Å; V65-D69 HydrophobicContact CB-CB 4.49Å; V65-D69 HydrophobicContact CG1-CB 3.68Å |
| 66 | K | 83.2 | Confident | 80 | Confident | 91 Ų | 91 | 64.3 Ų | 64.3 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 158.2 | 175.3 | -67.3 | 173 | 176.8 | 168.1 | 0 | 109.4 | D68 D69 E1331 | K66-D68 PolarHBondContact O-N 2.96Å; K66-D69 WeakPolarHBondContact CB-OD2 3.39Å; K66-D69 PolarHBondContact N-OD2 3.5Å; K66-D69 PolarHBondContact O-N 3.48Å; K66-E1331 HydrophobicContact CD-CG 4.26Å; K66-E1331 WeakPolarHBondContact CD-OE1 3.42Å; K66-E1331 WeakPolarHBondContact CE-OE1 3.4Å; K66-E1331 IonicContact NZ-OE1 2.69Å; K66-E1331 PolarHBondContact NZ-OE1 3.09Å |
| 67 | K | 78.1 | Confident | 79.3 | Confident | 81 Ų | 81 | 70 Ų | 70 | 35% | 0.352 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -24 | -176.5 | 177.7 | 164.9 | 146.9 | -84 | 0 | 113.4 | D51 I53 D1327 | D51-K67 WeakPolarHBondContact O-CB 3.22Å; D51-K67 PolarHBondContact O-N 2.69Å; I53-K67 HydrophobicContact CD1-CB 4.49Å; I53-K67 HydrophobicContact CG1-CB 4.41Å; K67-D1327 IonicContact NZ-OD2 2.7Å; K67-D1327 PolarHBondContact NZ-OD2 2.95Å |
| 68 | D | 77.1 | Confident | 79.1 | Confident | 63 Ų | 63 | 70 Ų | 70 | 34% | 0.337 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -35.3 | 177 | -61.7 | -34.4 | 0 | 0 | 0 | 112.9 | K66 A70 D1327 | K66-D68 PolarHBondContact O-N 2.96Å; D68-A70 PolarHBondContact O-N 2.97Å; D68-A70 VanDerWaalsContact O-N 3.13Å; D68-D1327 WeakPolarHBondContact OD1-CB 3.43Å; D68-D1327 WeakPolarHBondContact OD2-CB 2.98Å |
| 69 | D | 78.4 | Confident | 79.4 | Confident | 70 Ų | 70 | 65 Ų | 65 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -19.3 | 174.9 | -48.7 | -30.5 | 0 | 0 | 0 | 112.7 | V65 K66 Q71 | V65-D69 HydrophobicContact CB-CB 4.49Å; V65-D69 HydrophobicContact CG1-CB 3.68Å; K66-D69 WeakPolarHBondContact CB-OD2 3.39Å; K66-D69 PolarHBondContact N-OD2 3.5Å; K66-D69 PolarHBondContact O-N 3.48Å; D69-Q71 PolarHBondContact O-N 3.41Å |
| 70 | A | 80.2 | Confident | 79.9 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 12% | 0.116 | 30% | 0.301 | C | S | . | . | trans | -92.1 | 86 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I31 W32 I53 D68 | I31-A70 HydrophobicContact CD1-CB 3.7Å; W32-A70 CarbonylContact O-C 3.55Å; W32-A70 WeakPolarHBondContact O-CA 3.41Å; I53-A70 HydrophobicContact CD1-CB 3.63Å; D68-A70 PolarHBondContact O-N 2.97Å; D68-A70 VanDerWaalsContact O-N 3.13Å | ||
| 71 | Q | 85.2 | Confident | 80.4 | Confident | 35 Ų | 35 | 57 Ų | 57 | 16% | 0.164 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 134.3 | -175.4 | -45.1 | -177.6 | -1.1 | 0 | 0 | 112.4 | W32 Y40 D69 N91 A93 | W32-Q71 HydrophobicContact CB-CB 4.1Å; W32-Q71 WeakPolarHBondContact CB-O 3.24Å; W32-Q71 PolarHBondContact N-O 3.4Å; W32-Q71 PolarHBondContact O-N 3.45Å; Y40-Q71 PolarHBondContact OH-NE2 2.63Å; D69-Q71 PolarHBondContact O-N 3.41Å; Q71-N91 HydrophobicContact CB-CB 4.24Å; Q71-A93 VanDerWaalsContact OE1-CB 3.28Å |
| 72 | Q | 81.9 | Confident | 80.7 | Confident | 108 Ų | 108 | 57.4 Ų | 57.4 | 51% | 0.505 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 134.8 | -178.4 | -67.8 | 176.9 | -10.6 | 0 | 0 | 113.1 | H89 N91 | Q72-H89 HydrophobicContact CB-CB 4.42Å; Q72-H89 WeakPolarHBondContact CB-ND1 3.35Å; Q72-H89 PolarHBondContact OE1-CE1 2.74Å; Q72-H89 PolarHBondContact OE1-ND1 3.43Å; Q72-N91 PolarHBondContact O-ND2 2.69Å |
| 73 | V | 82.4 | Confident | 80.8 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 9% | 0.091 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 135 | -179.8 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | F25 V30 W32 L42 | F25-V73 HydrophobicContact CE2-CG1 3.94Å; F25-V73 HydrophobicContact CZ-CB 4.1Å; F25-V73 HydrophobicContact CZ-CG1 3.62Å; V30-V73 HydrophobicContact CG1-CG2 4.31Å; V30-V73 WeakPolarHBondContact O-CG2 3.39Å; W32-V73 HydrophobicContact CD2-CG2 4.26Å; W32-V73 HydrophobicContact CG-CG2 3.94Å; L42-V73 HydrophobicContact CD2-CB 4.44Å; L42-V73 HydrophobicContact CD2-CG1 4.01Å; L42-V73 HydrophobicContact CD2-CG2 3.46Å; L42-V73 VanDerWaalsContact CD2-CG2 3.46Å |
| 74 | N | 77.8 | Confident | 80.9 | Confident | 18 Ų | 18 | 48.6 Ų | 48.6 | 10% | 0.096 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 138 | 174.2 | -86.7 | -79.3 | 0 | 0 | 0 | 112 | F78 T88 H89 S94 | N74-F78 HydrophobicContact CB-CB 4.21Å; N74-F78 HydrophobicContact CB-CD2 4.3Å; N74-T88 PolarHBondContact OD1-N 3.21Å; N74-H89 PolarHBondContact ND2-O 3.24Å; N74-H89 PolarHBondContact OD1-N 2.69Å; N74-S94 WeakPolarHBondContact ND2-CB 3.12Å; N74-S94 PolarHBondContact ND2-OG 2.82Å |
| 75 | P | 72.6 | Confident | 80.5 | Confident | 34 Ų | 34 | 42.5 Ų | 42.5 | 22% | 0.221 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -53.7 | 140.2 | 170.8 | -28.3 | 35.5 | 0 | 0 | 0 | 112.3 | K77 F78 | P75-K77 HydrophobicContact CB-CG 4.36Å; P75-K77 PolarHBondContact O-N 3.2Å; P75-F78 HydrophobicContact CB-CD2 4.25Å; P75-F78 HydrophobicContact CB-CE2 4.4Å; P75-F78 HydrophobicContact CG-CD2 4.49Å; P75-F78 HydrophobicContact CG-CE2 4.39Å; P75-F78 VanDerWaalsContact O-CD2 3.29Å; P75-F78 WeakPolarHBondContact O-CD2 3.1Å; P75-F78 PolarHBondContact O-N 3.46Å |
| 76 | P | 73 | Confident | 80.1 | Confident | 29 Ų | 29 | 45.9 Ų | 45.9 | 19% | 0.188 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -60.4 | -13.9 | -169.2 | -25.5 | 30.9 | 0 | 0 | 0 | 116.6 | L22 F25 F78 F79 | L22-P76 HydrophobicContact CB-CB 3.57Å; L22-P76 HydrophobicContact CB-CG 4.43Å; L22-P76 HydrophobicContact CD1-CB 3.92Å; L22-P76 HydrophobicContact CG-CB 4.24Å; F25-P76 HydrophobicContact CB-CG 3.52Å; F25-P76 HydrophobicContact CD1-CG 3.92Å; F25-P76 HydrophobicContact CD2-CG 4.01Å; F25-P76 HydrophobicContact CG-CG 3.56Å; P76-F78 PolarHBondContact O-N 3.44Å; P76-F78 VanDerWaalsContact O-N 3.08Å; P76-F79 VanDerWaalsContact O-CB 3.32Å; P76-F79 WeakPolarHBondContact O-CB 3.32Å; P76-F79 PolarHBondContact O-N 2.87Å |
| 77 | K | 71.5 | Confident | 79.7 | Confident | 133 Ų | 133 | 41.7 Ų | 41.7 | 58% | 0.578 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -59.5 | -12.6 | 168.7 | 73.3 | -176.8 | -174.4 | -179.3 | 0 | 114.4 | L19 P75 | L19-K77 HydrophobicContact CD2-CB 3.73Å; P75-K77 HydrophobicContact CB-CG 4.36Å; P75-K77 PolarHBondContact O-N 3.2Å |
| 78 | F | 76.6 | Confident | 79.4 | Confident | 28 Ų | 28 | 40.4 Ų | 40.4 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -104.1 | -0 | 175.6 | -60 | -68.3 | 0 | 0 | 0 | 113.9 | N74 P75 P76 I81 N86 L87 T88 | N74-F78 HydrophobicContact CB-CB 4.21Å; N74-F78 HydrophobicContact CB-CD2 4.3Å; P75-F78 HydrophobicContact CB-CD2 4.25Å; P75-F78 HydrophobicContact CB-CE2 4.4Å; P75-F78 HydrophobicContact CG-CD2 4.49Å; P75-F78 HydrophobicContact CG-CE2 4.39Å; P75-F78 VanDerWaalsContact O-CD2 3.29Å; P75-F78 WeakPolarHBondContact O-CD2 3.1Å; P75-F78 PolarHBondContact O-N 3.46Å; P76-F78 PolarHBondContact O-N 3.44Å; P76-F78 VanDerWaalsContact O-N 3.08Å; F78-I81 HydrophobicContact CD1-CD1 3.87Å; F78-I81 WeakPolarHBondContact O-CB 3.5Å; F78-I81 WeakPolarHBondContact O-CG2 3.2Å; F78-I81 PolarHBondContact O-N 2.7Å; F78-N86 WeakPolarHBondContact CD1-O 3.35Å; F78-N86 WeakPolarHBondContact CE1-O 2.93Å; F78-L87 HydrophobicContact CB-CD2 4.04Å; F78-T88 WeakPolarHBondContact CE2-OG1 3.49Å; F78-T88 WeakPolarHBondContact CZ-OG1 3.49Å |
| 79 | F | 82.1 | Confident | 79.3 | Confident | 71 Ų | 71 | 39.3 Ų | 39.3 | 31% | 0.311 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 138.9 | 176.7 | -172.1 | -112.6 | 0 | 0 | 0 | 110.6 | L18 L22 P76 I81 A101 | L18-F79 HydrophobicContact CD1-CD1 4.11Å; L18-F79 HydrophobicContact CD1-CE1 4.45Å; L18-F79 HydrophobicContact CD2-CD1 4.21Å; L22-F79 HydrophobicContact CD1-CB 3.85Å; L22-F79 HydrophobicContact CD1-CD1 3.75Å; L22-F79 HydrophobicContact CD1-CG 4.1Å; P76-F79 VanDerWaalsContact O-CB 3.32Å; P76-F79 WeakPolarHBondContact O-CB 3.32Å; P76-F79 PolarHBondContact O-N 2.87Å; F79-I81 PolarHBondContact O-N 3.13Å; F79-A101 HydrophobicContact CE2-CB 3.7Å; F79-A101 HydrophobicContact CZ-CB 3.72Å |
| 80 | L | 85.8 | Confident | 79.4 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 21.5 | -176.1 | -63.1 | 160.9 | 0 | 0 | 0 | 115.2 | V13 L18 N98 A101 R102 R105 | V13-L80 HydrophobicContact CG1-CB 4.47Å; V13-L80 HydrophobicContact CG1-CD1 4.36Å; V13-L80 HydrophobicContact CG2-CB 4.38Å; L18-L80 HydrophobicContact CD1-CD1 3.84Å; L18-L80 HydrophobicContact CD2-CB 4.27Å; L18-L80 HydrophobicContact CD2-CD1 3.91Å; L80-N98 VanDerWaalsContact C-OD1 3.25Å; L80-N98 VanDerWaalsContact CA-OD1 3.22Å; L80-N98 WeakPolarHBondContact CA-OD1 3.08Å; L80-N98 PolarHBondContact N-OD1 2.73Å; L80-A101 VanDerWaalsContact CD2-C 3.41Å; L80-A101 HydrophobicContact CD2-CB 3.68Å; L80-A101 WeakPolarHBondContact CD2-O 3.38Å; L80-A101 HydrophobicContact CG-CB 4.38Å; L80-R102 HydrophobicContact CB-CG 4.42Å; L80-R102 HydrophobicContact CD2-CB 4.44Å; L80-R102 HydrophobicContact CD2-CG 3.79Å; L80-R102 PolarHBondContact O-NH1 3.21Å; L80-R105 HydrophobicContact CD2-CG 4.33Å |
| 81 | I | 86 | Confident | 79.5 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 5% | 0.046 | 19% | 0.194 | C | C | . | . | trans | -61.1 | 139.2 | -174.6 | -162.7 | 155.8 | 0 | 0 | 0 | 112.8 | F78 F79 N86 L87 N98 R102 | F78-I81 HydrophobicContact CD1-CD1 3.87Å; F78-I81 WeakPolarHBondContact O-CB 3.5Å; F78-I81 WeakPolarHBondContact O-CG2 3.2Å; F78-I81 PolarHBondContact O-N 2.7Å; F79-I81 PolarHBondContact O-N 3.13Å; I81-N86 HydrophobicContact CD1-CB 3.6Å; I81-L87 HydrophobicContact CG2-CD2 3.75Å; I81-L87 HydrophobicContact CG2-CG 4.32Å; I81-N98 PolarHBondContact N-OD1 3.44Å; I81-N98 PolarHBondContact O-ND2 2.69Å; I81-R102 WeakPolarHBondContact O-CD 3.29Å | ||
| 82 | E | 87.1 | Confident | 79.5 | Confident | 54 Ų | 54 | 38.5 Ų | 38.5 | 25% | 0.252 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -74.4 | -24.6 | -174 | -71.4 | 166.3 | 157.6 | 0 | 0 | 113.7 | Y111 P146 | E82-Y111 WeakPolarHBondContact O-CB 3.01Å; E82-Y111 PolarHBondContact O-N 3.29Å; E82-P146 HydrophobicContact CB-CG 3.62Å; E82-P146 HydrophobicContact CG-CG 4.06Å; E82-P146 WeakPolarHBondContact O-CG 3.35Å |
| 83 | D | 85.2 | Confident | 79.8 | Confident | 17 Ų | 17 | 33.3 Ų | 33.3 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -136.2 | 116.4 | 177.5 | -171.5 | -14.8 | 0 | 0 | 0 | 110.4 | A85 N86 Y111 G113 R141 | D83-A85 PolarHBondContact O-N 2.78Å; D83-A85 WeakPolarHBondContact OD1-CB 3.11Å; D83-A85 PolarHBondContact OD1-N 3.33Å; D83-A85 VanDerWaalsContact OD1-N 3.13Å; D83-N86 WeakPolarHBondContact O-CB 3.3Å; D83-N86 PolarHBondContact O-N 2.79Å; D83-N86 PolarHBondContact O-ND2 3.33Å; D83-Y111 WeakPolarHBondContact CA-O 3.26Å; D83-Y111 HydrophobicContact CB-CD2 4.46Å; D83-G113 PolarHBondContact OD1-N 3.45Å; D83-R141 IonicContact OD2-CZ 3.66Å; D83-R141 IonicContact OD2-NH2 3.51Å; D83-R141 PolarHBondContact OD2-NH2 2.86Å |
| 84 | M | 84.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -73.1 | -12.4 | -172.8 | -60.9 | -166.9 | -68.9 | 0 | 0 | 113.6 | N86 L87 V95 N98 L99 T110 Y111 S112 V117 I689 | M84-N86 PolarHBondContact O-N 3Å; M84-L87 HydrophobicContact CB-CD1 4.09Å; M84-L87 HydrophobicContact CG-CD1 4.47Å; M84-L87 WeakPolarHBondContact O-CG 3.48Å; M84-L87 PolarHBondContact O-N 2.68Å; M84-V95 HydrophobicContact CE-CG1 4.02Å; M84-V95 HydrophobicContact SD-CG1 3.97Å; M84-N98 WeakPolarHBondContact CG-ND2 3.44Å; M84-N98 HydrophobicContact SD-CB 4.24Å; M84-L99 HydrophobicContact CE-CD1 4.17Å; M84-L99 HydrophobicContact CE-CD2 3.97Å; M84-L99 HydrophobicContact CE-CG 4.09Å; M84-L99 HydrophobicContact SD-CD2 4.27Å; M84-L99 HydrophobicContact SD-CG 4.08Å; M84-T110 HydrophobicContact CE-CG2 4.32Å; M84-T110 HydrophobicContact CG-CG2 3.9Å; M84-T110 HydrophobicContact SD-CG2 4.21Å; M84-Y111 PolarHBondContact N-O 3.28Å; M84-S112 WeakPolarHBondContact CE-OG 3.26Å; M84-V117 HydrophobicContact CE-CG2 4.4Å; M84-I689 HydrophobicContact CB-CD1 4Å; M84-I689 HydrophobicContact CE-CD1 4.13Å |
| 85 | A | 77.4 | Confident | 80.6 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 7% | 0.066 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -62.3 | -20.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D83 I689 | D83-A85 PolarHBondContact O-N 2.78Å; D83-A85 WeakPolarHBondContact OD1-CB 3.11Å; D83-A85 PolarHBondContact OD1-N 3.33Å; D83-A85 VanDerWaalsContact OD1-N 3.13Å; A85-I689 HydrophobicContact CB-CG2 4.44Å |
| 86 | N | 76.4 | Confident | 81.5 | Confident | 82 Ų | 82 | 30.6 Ų | 30.6 | 44% | 0.439 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -87.3 | -1 | 178.9 | -64.5 | -65.2 | 0 | 0 | 0 | 114.5 | F78 I81 D83 M84 | F78-N86 WeakPolarHBondContact CD1-O 3.35Å; F78-N86 WeakPolarHBondContact CE1-O 2.93Å; I81-N86 HydrophobicContact CD1-CB 3.6Å; D83-N86 WeakPolarHBondContact O-CB 3.3Å; D83-N86 PolarHBondContact O-N 2.79Å; D83-N86 PolarHBondContact O-ND2 3.33Å; M84-N86 PolarHBondContact O-N 3Å |
| 87 | L | 74.2 | Confident | 82.3 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | trans | -64.5 | 136.3 | 176.3 | -66.7 | 174.3 | 0 | 0 | 0 | 110.8 | F78 I81 M84 L90 V95 R693 | F78-L87 HydrophobicContact CB-CD2 4.04Å; I81-L87 HydrophobicContact CG2-CD2 3.75Å; I81-L87 HydrophobicContact CG2-CG 4.32Å; M84-L87 HydrophobicContact CB-CD1 4.09Å; M84-L87 HydrophobicContact CG-CD1 4.47Å; M84-L87 WeakPolarHBondContact O-CG 3.48Å; M84-L87 PolarHBondContact O-N 2.68Å; L87-L90 HydrophobicContact CD1-CD1 4.45Å; L87-V95 HydrophobicContact CD1-CG2 4.07Å; L87-R693 PolarHBondContact O-NH1 2.95Å | ||
| 88 | T | 72.4 | Confident | 83.3 | Confident | 53 Ų | 53 | 25.2 Ų | 25.2 | 33% | 0.325 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -75.6 | -43.2 | 178.8 | -67.1 | 0 | 0 | 0 | 0 | 111.4 | N74 F78 R693 | N74-T88 PolarHBondContact OD1-N 3.21Å; F78-T88 WeakPolarHBondContact CE2-OG1 3.49Å; F78-T88 WeakPolarHBondContact CZ-OG1 3.49Å; T88-R693 VanDerWaalsContact O-CZ 3.24Å; T88-R693 PolarHBondContact O-NH1 3.45Å; T88-R693 PolarHBondContact O-NH2 3.03Å |
| 89 | H | 75.5 | Confident | 84 | Confident | 40 Ų | 40 | 24 Ų | 24 | 19% | 0.185 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -104.6 | 109.5 | 172.8 | -51.8 | -97 | 0 | 0 | 0 | 106.2 | Q72 N74 N91 | Q72-H89 HydrophobicContact CB-CB 4.42Å; Q72-H89 WeakPolarHBondContact CB-ND1 3.35Å; Q72-H89 PolarHBondContact OE1-CE1 2.74Å; Q72-H89 PolarHBondContact OE1-ND1 3.43Å; N74-H89 PolarHBondContact ND2-O 3.24Å; N74-H89 PolarHBondContact OD1-N 2.69Å; H89-N91 PolarHBondContact O-N 2.94Å |
| 90 | L | 79.7 | Confident | 84.5 | Confident | 45 Ų | 45 | 21.5 Ų | 21.5 | 24% | 0.236 | 11% | 0.112 | C | C | . | . | trans | -93.5 | 99.2 | 177 | -179.2 | 66.6 | 0 | 0 | 0 | 107.1 | L87 V95 I689 R690 | L87-L90 HydrophobicContact CD1-CD1 4.45Å; L90-V95 HydrophobicContact CD1-CG2 3.8Å; L90-I689 HydrophobicContact CD1-CB 4.17Å; L90-I689 HydrophobicContact CD1-CG2 3.58Å; L90-I689 HydrophobicContact CD2-CB 4.13Å; L90-I689 HydrophobicContact CD2-CG2 3.79Å; L90-I689 HydrophobicContact CG-CG2 4.35Å; L90-R690 HydrophobicContact CD2-CB 4.06Å; L90-R690 HydrophobicContact CD2-CG 4.44Å | ||
| 91 | N | 82.6 | Confident | 84.7 | Confident | 22 Ų | 22 | 21.8 Ų | 21.8 | 12% | 0.118 | 12% | 0.115 | C | C | . | . | trans | -145.9 | 159.2 | 179.2 | 57.4 | 27.2 | 0 | 0 | 0 | 110.1 | Q71 Q72 H89 A93 S94 V95 | Q71-N91 HydrophobicContact CB-CB 4.24Å; Q72-N91 PolarHBondContact O-ND2 2.69Å; H89-N91 PolarHBondContact O-N 2.94Å; N91-A93 VanDerWaalsContact C-N 3.31Å; N91-A93 PolarHBondContact O-N 2.82Å; N91-S94 PolarHBondContact O-N 3.15Å; N91-S94 WeakPolarHBondContact OD1-CB 3.2Å; N91-S94 PolarHBondContact OD1-N 2.8Å; N91-S94 VanDerWaalsContact OD1-N 3.12Å; N91-S94 PolarHBondContact OD1-OG 3.45Å; N91-V95 PolarHBondContact O-N 2.72Å | ||
| 92 | D | 85.6 | Confident | 85 | Confident | 35 Ų | 35 | 21.5 Ų | 21.5 | 19% | 0.187 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | -167.8 | -59.8 | 27.5 | 0 | 0 | 0 | 110.8 | Y40 S94 V95 L96 L677 H681 | Y40-D92 HydrophobicContact CE2-CB 3.97Å; D92-S94 PolarHBondContact O-N 2.9Å; D92-V95 PolarHBondContact O-N 3.46Å; D92-L96 VanDerWaalsContact O-CB 3.27Å; D92-L96 WeakPolarHBondContact O-CB 3.12Å; D92-L96 PolarHBondContact O-N 2.85Å; D92-L677 HydrophobicContact CB-CD2 4.05Å; D92-H681 IonicContact OD2-CD2 3.82Å; D92-H681 IonicContact OD2-CE1 2.65Å; D92-H681 PolarHBondContact OD2-CE1 3.28Å; D92-H681 IonicContact OD2-NE2 2.67Å; D92-H681 PolarHBondContact OD2-NE2 3.29Å |
| 93 | A | 88.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W32 Y40 Q71 N91 E97 | W32-A93 HydrophobicContact CB-CB 3.61Å; W32-A93 HydrophobicContact CD2-CB 3.71Å; W32-A93 HydrophobicContact CE3-CB 4.29Å; W32-A93 HydrophobicContact CG-CB 3.37Å; Y40-A93 HydrophobicContact CD1-CB 4.03Å; Y40-A93 HydrophobicContact CD2-CB 3.7Å; Y40-A93 HydrophobicContact CE2-CB 4.38Å; Y40-A93 HydrophobicContact CG-CB 3.49Å; Y40-A93 VanDerWaalsContact CG-CB 3.49Å; Q71-A93 VanDerWaalsContact OE1-CB 3.28Å; N91-A93 VanDerWaalsContact C-N 3.31Å; N91-A93 PolarHBondContact O-N 2.82Å; A93-E97 WeakPolarHBondContact O-CB 3.48Å; A93-E97 PolarHBondContact O-N 3.22Å |
| 94 | S | 88 | Confident | 85.5 | Confident | 8 Ų | 8 | 24.8 Ų | 24.8 | 6% | 0.056 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -74.3 | -30.4 | 179.4 | -61.9 | 0 | 0 | 0 | 0 | 113.4 | N74 N91 D92 N98 | N74-S94 WeakPolarHBondContact ND2-CB 3.12Å; N74-S94 PolarHBondContact ND2-OG 2.82Å; N91-S94 PolarHBondContact O-N 3.15Å; N91-S94 WeakPolarHBondContact OD1-CB 3.2Å; N91-S94 PolarHBondContact OD1-N 2.8Å; N91-S94 VanDerWaalsContact OD1-N 3.12Å; N91-S94 PolarHBondContact OD1-OG 3.45Å; D92-S94 PolarHBondContact O-N 2.9Å; S94-N98 WeakPolarHBondContact O-CB 3.42Å; S94-N98 PolarHBondContact O-N 3.45Å |
| 95 | V | 89 | Confident | 85.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -73.8 | -45.9 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | M84 L87 L90 N91 D92 N98 L99 L680 L686 I689 | M84-V95 HydrophobicContact CE-CG1 4.02Å; M84-V95 HydrophobicContact SD-CG1 3.97Å; L87-V95 HydrophobicContact CD1-CG2 4.07Å; L90-V95 HydrophobicContact CD1-CG2 3.8Å; N91-V95 PolarHBondContact O-N 2.72Å; D92-V95 PolarHBondContact O-N 3.46Å; V95-N98 PolarHBondContact O-N 2.61Å; V95-L99 HydrophobicContact CG1-CD1 4.24Å; V95-L99 WeakPolarHBondContact O-CG 3.05Å; V95-L99 PolarHBondContact O-N 2.72Å; V95-L99 VanDerWaalsContact O-N 3.11Å; V95-L680 HydrophobicContact CG1-CD1 4.09Å; V95-L680 HydrophobicContact CG1-CD2 4.39Å; V95-L686 HydrophobicContact CB-CD2 3.92Å; V95-L686 HydrophobicContact CG1-CD2 3.96Å; V95-L686 HydrophobicContact CG2-CD2 3.77Å; V95-I689 HydrophobicContact CG2-CD1 4.49Å |
| 96 | L | 91.3 | Very high | 86.2 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.3 | -51.7 | 171.4 | 175.7 | 66.5 | 0 | 0 | 0 | 110.8 | Y40 D92 N98 L99 R100 A673 V676 L677 | Y40-L96 HydrophobicContact CD2-CD2 4.27Å; D92-L96 VanDerWaalsContact O-CB 3.27Å; D92-L96 WeakPolarHBondContact O-CB 3.12Å; D92-L96 PolarHBondContact O-N 2.85Å; L96-N98 PolarHBondContact O-N 2.66Å; L96-L99 PolarHBondContact O-N 2.66Å; L96-R100 WeakPolarHBondContact O-CB 3.5Å; L96-R100 PolarHBondContact O-N 2.66Å; L96-A673 HydrophobicContact CD2-CB 3.95Å; L96-V676 HydrophobicContact CD1-CB 4.19Å; L96-V676 HydrophobicContact CD1-CG1 3.87Å; L96-L677 HydrophobicContact CB-CD2 4.13Å; L96-L677 HydrophobicContact CD1-CG 4.47Å; L96-L677 HydrophobicContact CD2-CD1 4.07Å; L96-L677 HydrophobicContact CD2-CD2 4.31Å; L96-L677 HydrophobicContact CD2-CG 4.08Å |
| 97 | E | 89.9 | Confident | 86.9 | Confident | 44 Ų | 44 | 30 Ų | 30 | 21% | 0.206 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.7 | -39.7 | -177.2 | -178.4 | 61.4 | -166.5 | 0 | 0 | 112.3 | W32 A93 L99 R100 A101 | W32-E97 HydrophobicContact CH2-CB 3.86Å; W32-E97 HydrophobicContact CH2-CG 3.64Å; W32-E97 HydrophobicContact CZ2-CB 3.85Å; W32-E97 HydrophobicContact CZ2-CG 3.81Å; A93-E97 WeakPolarHBondContact O-CB 3.48Å; A93-E97 PolarHBondContact O-N 3.22Å; E97-L99 PolarHBondContact O-N 2.87Å; E97-R100 PolarHBondContact O-N 2.77Å; E97-R100 IonicContact OE2-CZ 2.71Å; E97-R100 VanDerWaalsContact OE2-CZ 3.22Å; E97-R100 IonicContact OE2-NE 2.69Å; E97-R100 PolarHBondContact OE2-NE 3.18Å; E97-R100 IonicContact OE2-NH2 2.65Å; E97-R100 PolarHBondContact OE2-NH2 2.66Å; E97-A101 WeakPolarHBondContact O-CB 3.4Å; E97-A101 PolarHBondContact O-N 3.41Å |
| 98 | N | 91.4 | Very high | 87.8 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.032 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 177.1 | -170.1 | 56.4 | 0 | 0 | 0 | 111.7 | L80 I81 M84 S94 V95 L96 R102 | L80-N98 VanDerWaalsContact C-OD1 3.25Å; L80-N98 VanDerWaalsContact CA-OD1 3.22Å; L80-N98 WeakPolarHBondContact CA-OD1 3.08Å; L80-N98 PolarHBondContact N-OD1 2.73Å; I81-N98 PolarHBondContact N-OD1 3.44Å; I81-N98 PolarHBondContact O-ND2 2.69Å; M84-N98 WeakPolarHBondContact CG-ND2 3.44Å; M84-N98 HydrophobicContact SD-CB 4.24Å; S94-N98 WeakPolarHBondContact O-CB 3.42Å; S94-N98 PolarHBondContact O-N 3.45Å; V95-N98 PolarHBondContact O-N 2.61Å; L96-N98 PolarHBondContact O-N 2.66Å; N98-R102 VanDerWaalsContact O-CB 3.26Å; N98-R102 WeakPolarHBondContact O-CB 3.12Å; N98-R102 WeakPolarHBondContact O-CG 3.08Å; N98-R102 PolarHBondContact O-N 3.47Å |
| 99 | L | 92 | Very high | 88.8 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.9 | -43.7 | 175.3 | -68.7 | 171.5 | 0 | 0 | 0 | 111.9 | M84 V95 L96 E97 R102 Y103 T110 V117 V119 L680 | M84-L99 HydrophobicContact CE-CD1 4.17Å; M84-L99 HydrophobicContact CE-CD2 3.97Å; M84-L99 HydrophobicContact CE-CG 4.09Å; M84-L99 HydrophobicContact SD-CD2 4.27Å; M84-L99 HydrophobicContact SD-CG 4.08Å; V95-L99 HydrophobicContact CG1-CD1 4.24Å; V95-L99 WeakPolarHBondContact O-CG 3.05Å; V95-L99 PolarHBondContact O-N 2.72Å; V95-L99 VanDerWaalsContact O-N 3.11Å; L96-L99 PolarHBondContact O-N 2.66Å; E97-L99 PolarHBondContact O-N 2.87Å; L99-R102 PolarHBondContact O-N 2.76Å; L99-Y103 WeakPolarHBondContact O-CB 3.26Å; L99-Y103 PolarHBondContact O-N 2.68Å; L99-T110 HydrophobicContact CD2-CG2 4.46Å; L99-V117 HydrophobicContact CD1-CG1 4.26Å; L99-V117 HydrophobicContact CD2-CB 4.35Å; L99-V117 HydrophobicContact CD2-CG1 3.89Å; L99-V119 HydrophobicContact CD2-CG2 4.46Å; L99-L680 HydrophobicContact CD1-CD1 4.03Å; L99-L680 HydrophobicContact CD1-CD2 3.82Å; L99-L680 HydrophobicContact CD1-CG 4.49Å |
| 100 | R | 92.4 | Very high | 89.5 | Confident | 17 Ų | 17 | 26 Ų | 26 | 6% | 0.064 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.8 | -51.6 | 175.6 | 176.8 | 161 | 64.2 | -164 | -12.4 | 111.2 | E38 Y40 L96 E97 Y103 Y104 I671 | E38-R100 PolarHBondContact O-NH1 2.71Å; E38-R100 IonicContact OE2-CZ 3.73Å; E38-R100 IonicContact OE2-NH1 3.54Å; E38-R100 PolarHBondContact OE2-NH1 3.04Å; Y40-R100 PolarHBondContact O-NH2 2.92Å; Y40-R100 VanDerWaalsContact O-NH2 3.14Å; L96-R100 WeakPolarHBondContact O-CB 3.5Å; L96-R100 PolarHBondContact O-N 2.66Å; E97-R100 PolarHBondContact O-N 2.77Å; E97-R100 IonicContact OE2-CZ 2.71Å; E97-R100 VanDerWaalsContact OE2-CZ 3.22Å; E97-R100 IonicContact OE2-NE 2.69Å; E97-R100 PolarHBondContact OE2-NE 3.18Å; E97-R100 IonicContact OE2-NH2 2.65Å; E97-R100 PolarHBondContact OE2-NH2 2.66Å; R100-Y103 PolarHBondContact O-N 2.76Å; R100-Y104 HydrophobicContact CG-CD2 3.89Å; R100-Y104 HydrophobicContact CG-CE2 3.53Å; R100-Y104 WeakPolarHBondContact O-CD2 3.13Å; R100-Y104 PolarHBondContact O-N 3.29Å; R100-I671 HydrophobicContact CB-CD1 4.46Å; R100-I671 HydrophobicContact CG-CG2 4.09Å |
| 101 | A | 90.6 | Very high | 90 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 7% | 0.074 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F79 L80 E97 R105 | F79-A101 HydrophobicContact CE2-CB 3.7Å; F79-A101 HydrophobicContact CZ-CB 3.72Å; L80-A101 VanDerWaalsContact CD2-C 3.41Å; L80-A101 HydrophobicContact CD2-CB 3.68Å; L80-A101 WeakPolarHBondContact CD2-O 3.38Å; L80-A101 HydrophobicContact CG-CB 4.38Å; E97-A101 WeakPolarHBondContact O-CB 3.4Å; E97-A101 PolarHBondContact O-N 3.41Å; A101-R105 PolarHBondContact O-N 3.01Å; A101-R105 VanDerWaalsContact O-N 3.11Å |
| 102 | R | 92 | Very high | 90.1 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 1% | 0.011 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.5 | -43.9 | 177 | -73.9 | 177.6 | 66.7 | 79 | 6 | 111.5 | L80 I81 N98 L99 Y104 R105 Q106 L107 Y109 T110 | L80-R102 HydrophobicContact CB-CG 4.42Å; L80-R102 HydrophobicContact CD2-CB 4.44Å; L80-R102 HydrophobicContact CD2-CG 3.79Å; L80-R102 PolarHBondContact O-NH1 3.21Å; I81-R102 WeakPolarHBondContact O-CD 3.29Å; N98-R102 VanDerWaalsContact O-CB 3.26Å; N98-R102 WeakPolarHBondContact O-CB 3.12Å; N98-R102 WeakPolarHBondContact O-CG 3.08Å; N98-R102 PolarHBondContact O-N 3.47Å; L99-R102 PolarHBondContact O-N 2.76Å; R102-Y104 PolarHBondContact O-N 2.92Å; R102-R105 CarbonylContact O-C 3.51Å; R102-R105 WeakPolarHBondContact O-CA 3.45Å; R102-R105 PolarHBondContact O-N 3.23Å; R102-R105 VanDerWaalsContact O-N 3.11Å; R102-Q106 PolarHBondContact O-N 2.69Å; R102-Q106 VanDerWaalsContact O-N 3.16Å; R102-L107 CarbonylContact C-O 3.52Å; R102-L107 HydrophobicContact CB-CB 4.09Å; R102-L107 WeakPolarHBondContact O-CA 3.41Å; R102-L107 WeakPolarHBondContact O-CB 3.12Å; R102-L107 PolarHBondContact O-N 3.48Å; R102-Y109 PolarHBondContact NH2-O 2.8Å; R102-T110 PolarHBondContact NE-OG1 3.41Å |
| 103 | Y | 91.7 | Very high | 89.7 | Confident | 11 Ų | 11 | 21.8 Ų | 21.8 | 4% | 0.043 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59 | -46.1 | 175.2 | -179.4 | -105.2 | 0 | 0 | 0 | 112.4 | L99 R100 R105 Q106 V119 P662 G669 V670 I671 | L99-Y103 WeakPolarHBondContact O-CB 3.26Å; L99-Y103 PolarHBondContact O-N 2.68Å; R100-Y103 PolarHBondContact O-N 2.76Å; Y103-R105 VanDerWaalsContact C-N 3.29Å; Y103-R105 PolarHBondContact O-N 3.43Å; Y103-Q106 WeakPolarHBondContact O-CA 3.04Å; Y103-Q106 PolarHBondContact O-N 2.99Å; Y103-V119 HydrophobicContact CD2-CB 3.98Å; Y103-V119 HydrophobicContact CD2-CG1 3.53Å; Y103-V119 HydrophobicContact CE2-CB 4.48Å; Y103-V119 HydrophobicContact CE2-CG1 3.74Å; Y103-V119 HydrophobicContact CG-CG1 4.26Å; Y103-P662 HydrophobicContact CE1-CB 4.39Å; Y103-P662 HydrophobicContact CE2-CB 4.25Å; Y103-P662 HydrophobicContact CE2-CG 4.45Å; Y103-G669 PolarHBondContact OH-N 3.37Å; Y103-G669 VanDerWaalsContact OH-N 3.13Å; Y103-V670 WeakPolarHBondContact CE1-O 3.5Å; Y103-V670 PolarHBondContact OH-O 2.69Å; Y103-I671 HydrophobicContact CD1-CB 4.01Å; Y103-I671 HydrophobicContact CD1-CD1 4.32Å; Y103-I671 HydrophobicContact CD1-CG2 4.4Å; Y103-I671 HydrophobicContact CE1-CB 4.01Å |
| 104 | Y | 90.8 | Very high | 89.1 | Confident | 130 Ų | 130 | 25.7 Ų | 25.7 | 51% | 0.51 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -63.3 | -31.9 | 174.7 | -74.2 | -49.7 | 0 | 0 | 0 | 113.3 | R100 R102 Q106 G669 I671 | R100-Y104 HydrophobicContact CG-CD2 3.89Å; R100-Y104 HydrophobicContact CG-CE2 3.53Å; R100-Y104 WeakPolarHBondContact O-CD2 3.13Å; R100-Y104 PolarHBondContact O-N 3.29Å; R102-Y104 PolarHBondContact O-N 2.92Å; Y104-Q106 PolarHBondContact O-N 3.27Å; Y104-G669 WeakPolarHBondContact CE1-O 3.15Å; Y104-I671 HydrophobicContact CE1-CG2 4.45Å; Y104-I671 HydrophobicContact CE2-CG2 4.17Å |
| 105 | R | 87.8 | Confident | 88.9 | Confident | 118 Ų | 118 | 25.4 Ų | 25.4 | 45% | 0.445 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 12 | 169.5 | -69.6 | -159.7 | 179.5 | -161.8 | 1.8 | 114.2 | L80 A101 R102 Y103 L107 | L80-R105 HydrophobicContact CD2-CG 4.33Å; A101-R105 PolarHBondContact O-N 3.01Å; A101-R105 VanDerWaalsContact O-N 3.11Å; R102-R105 CarbonylContact O-C 3.51Å; R102-R105 WeakPolarHBondContact O-CA 3.45Å; R102-R105 PolarHBondContact O-N 3.23Å; R102-R105 VanDerWaalsContact O-N 3.11Å; Y103-R105 VanDerWaalsContact C-N 3.29Å; Y103-R105 PolarHBondContact O-N 3.43Å; R105-L107 HydrophobicContact CB-CD1 4.32Å; R105-L107 HydrophobicContact CB-CG 4.42Å; R105-L107 PolarHBondContact O-N 3.22Å |
| 106 | Q | 89.4 | Confident | 89 | Confident | 71 Ų | 71 | 25.5 Ų | 25.5 | 33% | 0.332 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 15.6 | 177.5 | -55.2 | 173.6 | 9.1 | 0 | 0 | 114.4 | R102 Y103 Y104 I108 F125 | R102-Q106 PolarHBondContact O-N 2.69Å; R102-Q106 VanDerWaalsContact O-N 3.16Å; Y103-Q106 WeakPolarHBondContact O-CA 3.04Å; Y103-Q106 PolarHBondContact O-N 2.99Å; Y104-Q106 PolarHBondContact O-N 3.27Å; Q106-I108 PolarHBondContact O-N 3.4Å; Q106-F125 HydrophobicContact CB-CE1 4.16Å; Q106-F125 HydrophobicContact CB-CE2 4.16Å; Q106-F125 HydrophobicContact CB-CZ 3.76Å; Q106-F125 HydrophobicContact CG-CE1 4.14Å; Q106-F125 HydrophobicContact CG-CZ 3.88Å |
| 107 | L | 90.7 | Very high | 89 | Confident | 9 Ų | 9 | 25.4 Ų | 25.4 | 5% | 0.047 | 11% | 0.113 | C | C | . | . | trans | -93.5 | 85.7 | 178.2 | -58.3 | 172.3 | 0 | 0 | 0 | 109.9 | V13 R102 R105 | V13-L107 HydrophobicContact CG2-CD1 3.42Å; V13-L107 VanDerWaalsContact CG2-CD1 3.42Å; R102-L107 CarbonylContact C-O 3.52Å; R102-L107 HydrophobicContact CB-CB 4.09Å; R102-L107 WeakPolarHBondContact O-CA 3.41Å; R102-L107 WeakPolarHBondContact O-CB 3.12Å; R102-L107 PolarHBondContact O-N 3.48Å; R105-L107 HydrophobicContact CB-CD1 4.32Å; R105-L107 HydrophobicContact CB-CG 4.42Å; R105-L107 PolarHBondContact O-N 3.22Å | ||
| 108 | I | 92.1 | Very high | 89.2 | Confident | 8 Ų | 8 | 23.5 Ų | 23.5 | 4% | 0.041 | 10% | 0.104 | C | C | . | . | trans | -76.4 | -23.2 | -171 | 57.4 | 172.5 | 0 | 0 | 0 | 115.4 | Q106 A118 V119 P121 F125 I127 | Q106-I108 PolarHBondContact O-N 3.4Å; I108-A118 WeakPolarHBondContact O-CA 3.49Å; I108-V119 WeakPolarHBondContact CB-O 3.47Å; I108-V119 WeakPolarHBondContact CG2-O 3.33Å; I108-V119 PolarHBondContact O-N 3.42Å; I108-P121 HydrophobicContact CD1-CG 4.15Å; I108-P121 HydrophobicContact CG2-CB 3.9Å; I108-P121 HydrophobicContact CG2-CG 4.15Å; I108-F125 HydrophobicContact CG2-CD2 4.34Å; I108-F125 HydrophobicContact CG2-CE2 3.8Å; I108-I127 HydrophobicContact CD1-CD1 4.19Å; I108-I127 HydrophobicContact CG1-CD1 4.43Å | ||
| 109 | Y | 93.6 | Very high | 89.3 | Confident | 6 Ų | 6 | 23.4 Ų | 23.4 | 2% | 0.024 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 139 | -179.4 | -63.4 | -67.9 | 0 | 0 | 0 | 110.5 | R102 V117 A118 I127 Y128 P146 H147 I148 N181 | R102-Y109 PolarHBondContact NH2-O 2.8Å; Y109-V117 WeakPolarHBondContact CA-O 3.17Å; Y109-A118 HydrophobicContact CD1-CB 3.69Å; Y109-A118 HydrophobicContact CE1-CB 3.7Å; Y109-I127 HydrophobicContact CE2-CD1 4.17Å; Y109-Y128 HydrophobicContact CE2-CE1 4.29Å; Y109-Y128 PolarHBondContact OH-OH 2.89Å; Y109-P146 WeakPolarHBondContact CB-O 3.33Å; Y109-H147 AromaticContact CD2-CD2 3.49Å; Y109-H147 VanDerWaalsContact CD2-CD2 3.49Å; Y109-H147 WeakPolarHBondContact CD2-CD2 3.04Å; Y109-H147 AromaticContact CE2-CD2 3.48Å; Y109-H147 VanDerWaalsContact CE2-CD2 3.48Å; Y109-H147 WeakPolarHBondContact CE2-CD2 3.03Å; Y109-H147 AromaticContact CE2-NE2 3.74Å; Y109-I148 HydrophobicContact CE1-CB 3.97Å; Y109-I148 HydrophobicContact CE1-CG2 4.47Å; Y109-I148 HydrophobicContact CE2-CB 4.44Å; Y109-I148 HydrophobicContact CE2-CG2 4.21Å; Y109-I148 WeakPolarHBondContact OH-CG2 3.4Å; Y109-N181 WeakPolarHBondContact CE1-OD1 3.22Å; Y109-N181 PolarHBondContact OH-OD1 2.99Å |
| 110 | T | 91.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 133.5 | 177.9 | -50.2 | 0 | 0 | 0 | 0 | 109.6 | M84 L99 R102 C116 V117 | M84-T110 HydrophobicContact CE-CG2 4.32Å; M84-T110 HydrophobicContact CG-CG2 3.9Å; M84-T110 HydrophobicContact SD-CG2 4.21Å; L99-T110 HydrophobicContact CD2-CG2 4.46Å; R102-T110 PolarHBondContact NE-OG1 3.41Å; T110-C116 WeakPolarHBondContact O-CA 3.1Å; T110-C116 PolarHBondContact O-SG 3.03Å; T110-V117 PolarHBondContact N-O 3.05Å; T110-V117 PolarHBondContact O-N 3.44Å |
| 111 | Y | 89.1 | Confident | 89.2 | Confident | 9 Ų | 9 | 24.6 Ų | 24.6 | 4% | 0.035 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 155.5 | 174.4 | -61.3 | -50.1 | 0 | 0 | 0 | 111.3 | E82 D83 M84 C116 R141 P146 S150 I151 | E82-Y111 WeakPolarHBondContact O-CB 3.01Å; E82-Y111 PolarHBondContact O-N 3.29Å; D83-Y111 WeakPolarHBondContact CA-O 3.26Å; D83-Y111 HydrophobicContact CB-CD2 4.46Å; M84-Y111 PolarHBondContact N-O 3.28Å; Y111-C116 HydrophobicContact CD1-CB 4.25Å; Y111-R141 HydrophobicContact CD2-CG 4.28Å; Y111-R141 HydrophobicContact CE1-CG 4.01Å; Y111-R141 HydrophobicContact CE2-CG 3.62Å; Y111-R141 VanDerWaalsContact CZ-CG 3.47Å; Y111-P146 HydrophobicContact CD1-CB 4.34Å; Y111-P146 HydrophobicContact CD2-CB 4.03Å; Y111-P146 HydrophobicContact CD2-CG 3.72Å; Y111-P146 HydrophobicContact CE1-CB 4.25Å; Y111-P146 HydrophobicContact CE2-CB 3.95Å; Y111-P146 HydrophobicContact CE2-CG 3.83Å; Y111-P146 HydrophobicContact CG-CB 4.22Å; Y111-P146 HydrophobicContact CG-CG 4.25Å; Y111-S150 VanDerWaalsContact OH-CB 3.3Å; Y111-S150 WeakPolarHBondContact OH-CB 3.07Å; Y111-S150 PolarHBondContact OH-OG 3.37Å; Y111-I151 HydrophobicContact CE1-CG1 4.49Å |
| 112 | S | 85.3 | Confident | 88.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 57.7 | -174.6 | -65.4 | 0 | 0 | 0 | 0 | 109.8 | M84 F115 V117 | M84-S112 WeakPolarHBondContact CE-OG 3.26Å; S112-F115 VanDerWaalsContact CB-CE2 3.45Å; S112-F115 PolarHBondContact N-O 3.04Å; S112-F115 WeakPolarHBondContact O-CD1 3.01Å; S112-F115 WeakPolarHBondContact O-CE1 3.32Å; S112-V117 WeakPolarHBondContact OG-CG2 3.06Å |
| 113 | G | 77.2 | Confident | 88.6 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | -132.8 | -164.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | D83 F115 R141 | D83-G113 PolarHBondContact OD1-N 3.45Å; G113-F115 PolarHBondContact O-N 3.21Å; G113-F115 VanDerWaalsContact O-N 3.15Å; G113-R141 PolarHBondContact O-NH1 3.05Å; G113-R141 PolarHBondContact O-NH2 3.05Å |
| 114 | L | 75.7 | Confident | 88.2 | Confident | 81 Ų | 81 | 43.4 Ų | 43.4 | 42% | 0.424 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.3 | -172.3 | -72.4 | 169.4 | 0 | 0 | 0 | 115 | M486 C692 P697 | L114-M486 HydrophobicContact CB-CE 4.15Å; L114-M486 HydrophobicContact CB-SD 4.21Å; L114-M486 HydrophobicContact CD1-CE 4.22Å; L114-M486 HydrophobicContact CD1-SD 4.27Å; L114-C692 PolarHBondContact N-SG 3.35Å; L114-P697 HydrophobicContact CD1-CB 4.06Å; L114-P697 HydrophobicContact CD2-CB 3.91Å; L114-P697 HydrophobicContact CG-CB 3.89Å |
| 115 | F | 84 | Confident | 87.9 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 175.9 | -175.6 | 63.5 | -84.6 | 0 | 0 | 0 | 113.3 | S112 G113 V117 F482 M486 F656 R658 V685 I689 | S112-F115 VanDerWaalsContact CB-CE2 3.45Å; S112-F115 PolarHBondContact N-O 3.04Å; S112-F115 WeakPolarHBondContact O-CD1 3.01Å; S112-F115 WeakPolarHBondContact O-CE1 3.32Å; G113-F115 PolarHBondContact O-N 3.21Å; G113-F115 VanDerWaalsContact O-N 3.15Å; F115-V117 HydrophobicContact CE2-CG2 4.19Å; F115-F482 HydrophobicContact CD1-CE2 4.17Å; F115-F482 HydrophobicContact CD1-CZ 4.29Å; F115-F482 HydrophobicContact CE1-CZ 4.15Å; F115-F482 HydrophobicContact CG-CE2 4.36Å; F115-F482 HydrophobicContact CZ-CZ 4.42Å; F115-M486 HydrophobicContact CD1-CE 3.85Å; F115-M486 HydrophobicContact CD1-SD 4.34Å; F115-M486 HydrophobicContact CE1-CE 4.03Å; F115-F656 HydrophobicContact CB-CB 3.82Å; F115-F656 WeakPolarHBondContact CB-O 3.41Å; F115-R658 HydrophobicContact CD2-CG 3.95Å; F115-R658 HydrophobicContact CE2-CG 4.21Å; F115-V685 HydrophobicContact CE2-CB 4.41Å; F115-V685 HydrophobicContact CE2-CG1 4Å; F115-V685 HydrophobicContact CE2-CG2 4.15Å; F115-V685 HydrophobicContact CZ-CB 4.43Å; F115-V685 HydrophobicContact CZ-CG1 4.11Å; F115-I689 HydrophobicContact CZ-CG1 4.44Å |
| 116 | C | 89.9 | Confident | 87.8 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 139.1 | 177.9 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | T110 Y111 I151 F656 I657 R658 | T110-C116 WeakPolarHBondContact O-CA 3.1Å; T110-C116 PolarHBondContact O-SG 3.03Å; Y111-C116 HydrophobicContact CD1-CB 4.25Å; C116-I151 HydrophobicContact CB-CD1 3.36Å; C116-I151 HydrophobicContact CB-CG1 4.39Å; C116-F656 PolarHBondContact N-O 2.85Å; C116-I657 WeakPolarHBondContact O-CA 3.36Å; C116-R658 PolarHBondContact O-N 3.38Å |
| 117 | V | 92.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 134.1 | 169.7 | 176.4 | 0 | 0 | 0 | 0 | 109.3 | M84 L99 Y109 T110 S112 F115 R658 I660 V685 | M84-V117 HydrophobicContact CE-CG2 4.4Å; L99-V117 HydrophobicContact CD1-CG1 4.26Å; L99-V117 HydrophobicContact CD2-CB 4.35Å; L99-V117 HydrophobicContact CD2-CG1 3.89Å; Y109-V117 WeakPolarHBondContact CA-O 3.17Å; T110-V117 PolarHBondContact N-O 3.05Å; T110-V117 PolarHBondContact O-N 3.44Å; S112-V117 WeakPolarHBondContact OG-CG2 3.06Å; F115-V117 HydrophobicContact CE2-CG2 4.19Å; V117-R658 CarbonylContact C-O 3.38Å; V117-R658 WeakPolarHBondContact CA-O 3.22Å; V117-R658 HydrophobicContact CG2-CB 4.35Å; V117-I660 HydrophobicContact CG1-CG1 3.77Å; V117-V685 HydrophobicContact CG2-CG1 4.01Å; V117-V685 HydrophobicContact CG2-CG2 4.5Å |
| 118 | A | 93.5 | Very high | 87.6 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 107.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I108 Y109 I657 R658 C659 I660 | I108-A118 WeakPolarHBondContact O-CA 3.49Å; Y109-A118 HydrophobicContact CD1-CB 3.69Å; Y109-A118 HydrophobicContact CE1-CB 3.7Å; A118-I657 HydrophobicContact CB-CG2 4.18Å; A118-R658 PolarHBondContact N-O 2.73Å; A118-C659 CarbonylContact O-C 3.59Å; A118-C659 VanDerWaalsContact O-CA 3.3Å; A118-C659 WeakPolarHBondContact O-CA 3.15Å; A118-I660 PolarHBondContact O-N 2.74Å |
| 119 | V | 93.3 | Very high | 87.3 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.03 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 124.5 | 179.2 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | L99 Y103 I108 P121 I660 P662 | L99-V119 HydrophobicContact CD2-CG2 4.46Å; Y103-V119 HydrophobicContact CD2-CB 3.98Å; Y103-V119 HydrophobicContact CD2-CG1 3.53Å; Y103-V119 HydrophobicContact CE2-CB 4.48Å; Y103-V119 HydrophobicContact CE2-CG1 3.74Å; Y103-V119 HydrophobicContact CG-CG1 4.26Å; I108-V119 WeakPolarHBondContact CB-O 3.47Å; I108-V119 WeakPolarHBondContact CG2-O 3.33Å; I108-V119 PolarHBondContact O-N 3.42Å; V119-P121 WeakPolarHBondContact O-CD 3.38Å; V119-I660 HydrophobicContact CG2-CB 4.42Å; V119-P662 HydrophobicContact CG1-CB 3.88Å; V119-P662 HydrophobicContact CG1-CG 4.49Å |
| 120 | N | 91.4 | Very high | 86.8 | Confident | 27 Ų | 27 | 43.8 Ų | 43.8 | 14% | 0.144 | 20% | 0.204 | C | C | . | . | trans | -65.1 | 120.4 | -176.7 | -176.1 | -2.9 | 0 | 0 | 0 | 111.4 | Y122 G175 I660 P662 | N120-Y122 VanDerWaalsContact C-N 3.34Å; N120-Y122 VanDerWaalsContact ND2-CE1 3.32Å; N120-Y122 WeakPolarHBondContact ND2-CE1 3.16Å; N120-Y122 PolarHBondContact O-N 3.26Å; N120-Y122 PolarHBondContact OD1-N 3.47Å; N120-G175 PolarHBondContact ND2-O 3.26Å; N120-I660 PolarHBondContact N-O 2.96Å; N120-P662 VanDerWaalsContact O-CG 3.29Å; N120-P662 WeakPolarHBondContact O-CG 3.16Å | ||
| 121 | P | 89.9 | Confident | 86.6 | Confident | 17 Ų | 17 | 50.2 Ų | 50.2 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | trans | -77.5 | -12.1 | 179.3 | 29.9 | -35.3 | 0 | 0 | 0 | 115.5 | I108 V119 K123 F125 P668 | I108-P121 HydrophobicContact CD1-CG 4.15Å; I108-P121 HydrophobicContact CG2-CB 3.9Å; I108-P121 HydrophobicContact CG2-CG 4.15Å; V119-P121 WeakPolarHBondContact O-CD 3.38Å; P121-K123 HydrophobicContact CB-CB 4.45Å; P121-K123 VanDerWaalsContact CG-O 3.32Å; P121-K123 WeakPolarHBondContact CG-O 3.14Å; P121-K123 PolarHBondContact O-N 3.07Å; P121-F125 HydrophobicContact CB-CD2 4.1Å; P121-F125 HydrophobicContact CB-CE2 3.46Å; P121-F125 VanDerWaalsContact CB-CE2 3.46Å; P121-F125 HydrophobicContact CB-CZ 3.97Å; P121-F125 HydrophobicContact CG-CD2 4.23Å; P121-F125 HydrophobicContact CG-CE2 4.08Å; P121-P668 WeakPolarHBondContact O-CA 3.07Å; P121-P668 VanDerWaalsContact O-CB 3.26Å; P121-P668 WeakPolarHBondContact O-CB 3.39Å | ||
| 122 | Y | 84.9 | Confident | 86.5 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 25% | 0.247 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 49.7 | 23.4 | -164.8 | -63.3 | -64.7 | 0 | 0 | 0 | 114.1 | N120 P662 K666 | N120-Y122 VanDerWaalsContact C-N 3.34Å; N120-Y122 VanDerWaalsContact ND2-CE1 3.32Å; N120-Y122 WeakPolarHBondContact ND2-CE1 3.16Å; N120-Y122 PolarHBondContact O-N 3.26Å; N120-Y122 PolarHBondContact OD1-N 3.47Å; Y122-P662 HydrophobicContact CD2-CG 4.03Å; Y122-P662 HydrophobicContact CE2-CG 3.67Å; Y122-K666 HydrophobicContact CE1-CB 4.32Å |
| 123 | K | 85.1 | Confident | 86.6 | Confident | 130 Ų | 130 | 50 Ų | 50 | 57% | 0.565 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -149.9 | 136.9 | -174.8 | -175 | 171.1 | -178.7 | 173 | 0 | 111.2 | P121 F125 P668 | P121-K123 HydrophobicContact CB-CB 4.45Å; P121-K123 VanDerWaalsContact CG-O 3.32Å; P121-K123 WeakPolarHBondContact CG-O 3.14Å; P121-K123 PolarHBondContact O-N 3.07Å; K123-F125 HydrophobicContact CD-CE1 4.14Å; K123-F125 HydrophobicContact CG-CE1 4.4Å; K123-F125 PolarHBondContact O-N 2.85Å; K123-P668 HydrophobicContact CB-CB 4.26Å |
| 124 | R | 84 | Confident | 87 | Confident | 226 Ų | 226 | 54.2 Ų | 54.2 | 85% | 0.853 | 26% | 0.255 | S | S | * | . | trans | -73.1 | 112.7 | 173.5 | -67 | -176.7 | 178.2 | 177.9 | 2.6 | 109.8 | ||||
| 125 | F | 85.2 | Confident | 87.5 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | trans | -93.3 | 151.6 | 171.1 | -68.5 | -43.7 | 0 | 0 | 0 | 111.6 | Q106 I108 P121 K123 I127 | Q106-F125 HydrophobicContact CB-CE1 4.16Å; Q106-F125 HydrophobicContact CB-CE2 4.16Å; Q106-F125 HydrophobicContact CB-CZ 3.76Å; Q106-F125 HydrophobicContact CG-CE1 4.14Å; Q106-F125 HydrophobicContact CG-CZ 3.88Å; I108-F125 HydrophobicContact CG2-CD2 4.34Å; I108-F125 HydrophobicContact CG2-CE2 3.8Å; P121-F125 HydrophobicContact CB-CD2 4.1Å; P121-F125 HydrophobicContact CB-CE2 3.46Å; P121-F125 VanDerWaalsContact CB-CE2 3.46Å; P121-F125 HydrophobicContact CB-CZ 3.97Å; P121-F125 HydrophobicContact CG-CD2 4.23Å; P121-F125 HydrophobicContact CG-CE2 4.08Å; K123-F125 HydrophobicContact CD-CE1 4.14Å; K123-F125 HydrophobicContact CG-CE1 4.4Å; K123-F125 PolarHBondContact O-N 2.85Å; F125-I127 HydrophobicContact CB-CD1 4.31Å; F125-I127 HydrophobicContact CB-CG1 4.14Å; F125-I127 HydrophobicContact CB-CG2 4.46Å; F125-I127 PolarHBondContact O-N 3.37Å | ||
| 126 | P | 84.7 | Confident | 87.8 | Confident | 64 Ų | 64 | 53.2 Ų | 53.2 | 42% | 0.416 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 26.1 | -175.9 | 34.4 | -37.8 | 0 | 0 | 0 | 114.3 | Y10 | Y10-P126 HydrophobicContact CD2-CG 3.78Å; Y10-P126 HydrophobicContact CE2-CG 3.67Å; Y10-P126 HydrophobicContact CG-CG 4.31Å |
| 127 | I | 87.9 | Confident | 87.7 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -0.1 | -173.5 | 61.1 | -179.5 | 0 | 0 | 0 | 114.4 | Y10 L11 I108 Y109 F125 V132 H147 | Y10-I127 VanDerWaalsContact CB-CG2 3.44Å; Y10-I127 HydrophobicContact CG-CG2 4.42Å; L11-I127 HydrophobicContact CD2-CB 4.06Å; L11-I127 HydrophobicContact CD2-CG2 3.88Å; L11-I127 HydrophobicContact CG-CG2 4.05Å; I108-I127 HydrophobicContact CD1-CD1 4.19Å; I108-I127 HydrophobicContact CG1-CD1 4.43Å; Y109-I127 HydrophobicContact CE2-CD1 4.17Å; F125-I127 HydrophobicContact CB-CD1 4.31Å; F125-I127 HydrophobicContact CB-CG1 4.14Å; F125-I127 HydrophobicContact CB-CG2 4.46Å; F125-I127 PolarHBondContact O-N 3.37Å; I127-V132 VanDerWaalsContact O-CG1 3.29Å; I127-V132 WeakPolarHBondContact O-CG1 3.33Å; I127-H147 PolarHBondContact O-CE1 3.38Å |
| 128 | Y | 87.6 | Confident | 87.2 | Confident | 67 Ų | 67 | 60.5 Ų | 60.5 | 26% | 0.263 | 29% | 0.294 | S | S | . | . | trans | -110.2 | 26.9 | -174.3 | -49.3 | -65.4 | 0 | 0 | 0 | 113.3 | Y109 H147 I148 F149 K184 | Y109-Y128 HydrophobicContact CE2-CE1 4.29Å; Y109-Y128 PolarHBondContact OH-OH 2.89Å; Y128-H147 AromaticContact CD1-NE2 3.9Å; Y128-H147 AromaticContact CE1-NE2 3.67Å; Y128-I148 HydrophobicContact CE1-CG2 4.4Å; Y128-F149 HydrophobicContact CD1-CZ 4.29Å; Y128-K184 HydrophobicContact CD1-CB 4.26Å; Y128-K184 HydrophobicContact CD1-CD 3.77Å; Y128-K184 HydrophobicContact CD1-CG 3.66Å; Y128-K184 HydrophobicContact CD2-CD 4.24Å; Y128-K184 HydrophobicContact CE1-CB 4.39Å; Y128-K184 HydrophobicContact CE1-CD 4.15Å; Y128-K184 HydrophobicContact CE1-CG 3.65Å; Y128-K184 HydrophobicContact CG-CD 3.81Å; Y128-K184 HydrophobicContact CG-CG 4.23Å | ||
| 129 | T | 85.9 | Confident | 86.7 | Confident | 58 Ų | 58 | 64 Ų | 64 | 36% | 0.356 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -77.2 | 157.4 | 178.4 | 66.3 | 0 | 0 | 0 | 0 | 111.4 | Q131 V132 A133 | T129-Q131 PolarHBondContact O-N 3.33Å; T129-V132 PolarHBondContact O-N 3.49Å; T129-V132 VanDerWaalsContact O-N 3.08Å; T129-V132 WeakPolarHBondContact OG1-CG2 3.48Å; T129-V132 PolarHBondContact OG1-N 3.26Å; T129-A133 PolarHBondContact O-N 3.01Å |
| 130 | E | 84.8 | Confident | 85.7 | Confident | 130 Ų | 130 | 67 Ų | 67 | 61% | 0.607 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -56.9 | -37.9 | 172.5 | -170.3 | -173.5 | 174.9 | 0 | 0 | 111.7 | V132 A133 L134 V191 | E130-V132 VanDerWaalsContact C-N 3.34Å; E130-V132 PolarHBondContact O-N 2.75Å; E130-A133 WeakPolarHBondContact O-CB 3.48Å; E130-A133 PolarHBondContact O-N 3.35Å; E130-L134 HydrophobicContact CG-CD1 4.35Å; E130-L134 WeakPolarHBondContact O-CG 3.25Å; E130-L134 PolarHBondContact O-N 3.48Å; E130-V191 HydrophobicContact CG-CG1 3.93Å; E130-V191 HydrophobicContact CG-CG2 4.34Å |
| 131 | Q | 86.1 | Confident | 84.9 | Confident | 137 Ų | 137 | 69 Ų | 69 | 64% | 0.64 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.4 | -42 | 174.9 | -65 | -175 | 2 | 0 | 0 | 111.9 | T129 L134 K135 | T129-Q131 PolarHBondContact O-N 3.33Å; Q131-L134 PolarHBondContact O-N 2.94Å; Q131-K135 VanDerWaalsContact O-CG 3.3Å; Q131-K135 WeakPolarHBondContact O-CG 3.39Å; Q131-K135 PolarHBondContact O-N 3.4Å |
| 132 | V | 87.4 | Confident | 84 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 174.4 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | D7 L11 I127 T129 E130 L134 K135 Y136 F149 | D7-V132 HydrophobicContact CB-CG2 4.43Å; D7-V132 VanDerWaalsContact OD2-CG2 3.32Å; D7-V132 WeakPolarHBondContact OD2-CG2 3.04Å; L11-V132 HydrophobicContact CD1-CG1 4.04Å; L11-V132 HydrophobicContact CD1-CG2 4.38Å; I127-V132 VanDerWaalsContact O-CG1 3.29Å; I127-V132 WeakPolarHBondContact O-CG1 3.33Å; T129-V132 PolarHBondContact O-N 3.49Å; T129-V132 VanDerWaalsContact O-N 3.08Å; T129-V132 WeakPolarHBondContact OG1-CG2 3.48Å; T129-V132 PolarHBondContact OG1-N 3.26Å; E130-V132 VanDerWaalsContact C-N 3.34Å; E130-V132 PolarHBondContact O-N 2.75Å; V132-L134 VanDerWaalsContact C-N 3.3Å; V132-L134 PolarHBondContact O-N 3.03Å; V132-K135 WeakPolarHBondContact O-CB 3.17Å; V132-K135 PolarHBondContact O-N 2.74Å; V132-K135 VanDerWaalsContact O-N 3.08Å; V132-Y136 HydrophobicContact CG1-CD2 3.71Å; V132-Y136 HydrophobicContact CG1-CE2 3.64Å; V132-Y136 WeakPolarHBondContact O-CD2 3.03Å; V132-Y136 PolarHBondContact O-N 3.03Å; V132-Y136 VanDerWaalsContact O-N 3.1Å; V132-F149 HydrophobicContact CB-CE2 4.41Å; V132-F149 HydrophobicContact CG1-CD2 4.06Å; V132-F149 HydrophobicContact CG1-CE2 4.09Å |
| 133 | A | 86.9 | Confident | 83.6 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 3% | 0.025 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.1 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | T129 E130 Y136 K137 F149 Y188 V191 | T129-A133 PolarHBondContact O-N 3.01Å; E130-A133 WeakPolarHBondContact O-CB 3.48Å; E130-A133 PolarHBondContact O-N 3.35Å; A133-Y136 PolarHBondContact O-N 3.49Å; A133-K137 PolarHBondContact O-N 3.39Å; A133-F149 HydrophobicContact CB-CD2 4.14Å; A133-F149 HydrophobicContact CB-CE2 3.84Å; A133-F149 HydrophobicContact CB-CZ 4.35Å; A133-Y188 HydrophobicContact CB-CD2 4.01Å; A133-Y188 HydrophobicContact CB-CE2 4.21Å; A133-V191 HydrophobicContact CB-CG1 4.3Å |
| 134 | L | 86.7 | Confident | 83.4 | Confident | 94 Ų | 94 | 67.1 Ų | 67.1 | 49% | 0.492 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 174.7 | -68.3 | 171.5 | 0 | 0 | 0 | 113.1 | E130 Q131 V132 Y136 K137 V191 | E130-L134 HydrophobicContact CG-CD1 4.35Å; E130-L134 WeakPolarHBondContact O-CG 3.25Å; E130-L134 PolarHBondContact O-N 3.48Å; Q131-L134 PolarHBondContact O-N 2.94Å; V132-L134 VanDerWaalsContact C-N 3.3Å; V132-L134 PolarHBondContact O-N 3.03Å; L134-Y136 VanDerWaalsContact C-N 3.28Å; L134-Y136 PolarHBondContact O-N 3.13Å; L134-K137 PolarHBondContact O-N 2.82Å; L134-V191 HydrophobicContact CD2-CG1 4.46Å |
| 135 | K | 86.7 | Confident | 83.5 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 27% | 0.274 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.6 | -27.7 | 172.5 | -71.9 | 172.4 | -172.1 | -178.3 | 0 | 113 | M1 D5 D7 Q131 V132 K139 M144 | M1-K135 HydrophobicContact CE-CD 3.99Å; D5-K135 IonicContact OD1-NZ 2.76Å; D5-K135 PolarHBondContact OD1-NZ 3.3Å; D5-K135 IonicContact OD2-NZ 2.67Å; D5-K135 PolarHBondContact OD2-NZ 3.05Å; D7-K135 IonicContact OD2-NZ 2.67Å; D7-K135 PolarHBondContact OD2-NZ 3.28Å; Q131-K135 VanDerWaalsContact O-CG 3.3Å; Q131-K135 WeakPolarHBondContact O-CG 3.39Å; Q131-K135 PolarHBondContact O-N 3.4Å; V132-K135 WeakPolarHBondContact O-CB 3.17Å; V132-K135 PolarHBondContact O-N 2.74Å; V132-K135 VanDerWaalsContact O-N 3.08Å; K135-K139 WeakPolarHBondContact O-CG 3.32Å; K135-M144 HydrophobicContact CB-CE 4.04Å |
| 136 | Y | 89.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -90.8 | -7.8 | 177.1 | -82.4 | -82.2 | 0 | 0 | 0 | 114.4 | L11 V132 A133 L134 G138 M144 P145 H147 F149 Y188 | L11-Y136 HydrophobicContact CD1-CE2 4.37Å; V132-Y136 HydrophobicContact CG1-CD2 3.71Å; V132-Y136 HydrophobicContact CG1-CE2 3.64Å; V132-Y136 WeakPolarHBondContact O-CD2 3.03Å; V132-Y136 PolarHBondContact O-N 3.03Å; V132-Y136 VanDerWaalsContact O-N 3.1Å; A133-Y136 PolarHBondContact O-N 3.49Å; L134-Y136 VanDerWaalsContact C-N 3.28Å; L134-Y136 PolarHBondContact O-N 3.13Å; Y136-G138 PolarHBondContact O-N 3.3Å; Y136-M144 HydrophobicContact CD1-CB 3.8Å; Y136-M144 HydrophobicContact CD1-CE 4.29Å; Y136-M144 HydrophobicContact CD1-CG 4.25Å; Y136-M144 HydrophobicContact CD2-CE 4.16Å; Y136-M144 HydrophobicContact CE1-CB 3.44Å; Y136-M144 VanDerWaalsContact CE1-CB 3.44Å; Y136-M144 HydrophobicContact CE1-CE 4.1Å; Y136-M144 HydrophobicContact CE1-CG 4.27Å; Y136-M144 HydrophobicContact CE2-CE 3.94Å; Y136-M144 HydrophobicContact CG-CE 4.3Å; Y136-P145 WeakPolarHBondContact CE1-O 3.45Å; Y136-P145 PolarHBondContact OH-O 3.3Å; Y136-H147 HydrophobicContact CE1-CB 3.75Å; Y136-H147 HydrophobicContact CE2-CB 3.94Å; Y136-H147 AromaticContact CE2-ND1 3.88Å; Y136-H147 VanDerWaalsContact CZ-CB 3.41Å; Y136-H147 WeakPolarHBondContact OH-CB 3.37Å; Y136-F149 HydrophobicContact CD1-CB 4.41Å; Y136-F149 HydrophobicContact CD2-CB 4.04Å; Y136-F149 HydrophobicContact CD2-CD2 4.06Å; Y136-F149 HydrophobicContact CG-CB 3.85Å; Y136-Y188 PolarHBondContact O-OH 2.63Å |
| 137 | K | 88.2 | Confident | 84.1 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 121.3 | -174.3 | 177.9 | 167.7 | -179.6 | 154.4 | 0 | 112.7 | A133 L134 Y188 V192 | A133-K137 PolarHBondContact O-N 3.39Å; L134-K137 PolarHBondContact O-N 2.82Å; K137-Y188 WeakPolarHBondContact CA-OH 2.9Å; K137-V192 HydrophobicContact CB-CG2 4.28Å; K137-V192 HydrophobicContact CD-CB 4.4Å; K137-V192 HydrophobicContact CD-CG1 3.88Å; K137-V192 HydrophobicContact CD-CG2 4.1Å; K137-V192 HydrophobicContact CG-CG1 3.94Å; K137-V192 HydrophobicContact CG-CG2 4.32Å; K137-V192 PolarHBondContact NZ-O 2.94Å |
| 138 | G | 81.7 | Confident | 84.3 | Confident | 54 Ų | 54 | 52.6 Ų | 52.6 | 56% | 0.557 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 41.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y136 D153 | Y136-G138 PolarHBondContact O-N 3.3Å; G138-D153 WeakPolarHBondContact CA-OD2 3.47Å; G138-D153 VanDerWaalsContact N-CG 3.26Å; G138-D153 PolarHBondContact N-OD1 2.8Å; G138-D153 PolarHBondContact N-OD2 2.68Å |
| 139 | K | 81.9 | Confident | 84.6 | Confident | 76 Ų | 76 | 49.6 Ų | 49.6 | 33% | 0.33 | 26% | 0.264 | S | S | . | . | trans | -119.4 | 123.3 | -175 | -74.1 | -50.7 | -160.7 | 176.6 | 0 | 112.6 | K135 E143 M144 D153 | K135-K139 WeakPolarHBondContact O-CG 3.32Å; K139-E143 WeakPolarHBondContact CD-OE2 3.05Å; K139-E143 WeakPolarHBondContact CE-OE2 3.09Å; K139-E143 IonicContact NZ-OE2 2.68Å; K139-E143 PolarHBondContact NZ-OE2 2.82Å; K139-M144 HydrophobicContact CB-CG 3.85Å; K139-M144 HydrophobicContact CG-CG 3.97Å; K139-D153 PolarHBondContact N-OD2 2.66Å | ||
| 140 | R | 73.7 | Confident | 84.8 | Confident | 68 Ų | 68 | 46.8 Ų | 46.8 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | trans | -59.4 | 144.3 | 177.3 | -60.9 | -173.1 | -176 | 109.7 | 5.6 | 109.6 | G142 E143 E760 D764 | R140-G142 PolarHBondContact O-N 2.86Å; R140-E143 HydrophobicContact CB-CG 4.22Å; R140-E143 WeakPolarHBondContact CB-OE1 3.34Å; R140-E143 PolarHBondContact N-OE1 2.78Å; R140-E143 PolarHBondContact O-N 3.48Å; R140-E760 IonicContact CZ-OE2 2.61Å; R140-E760 IonicContact NE-OE2 3.78Å; R140-E760 PolarHBondContact NE-OE2 3.18Å; R140-E760 IonicContact NH2-OE2 3.51Å; R140-E760 PolarHBondContact NH2-OE2 3.17Å; R140-D764 IonicContact CZ-OD2 2.68Å; R140-D764 IonicContact NH1-OD2 2.78Å; R140-D764 PolarHBondContact NH1-OD2 2.85Å; R140-D764 IonicContact NH2-OD1 3.39Å; R140-D764 PolarHBondContact NH2-OD1 2.95Å; R140-D764 IonicContact NH2-OD2 2.73Å; R140-D764 PolarHBondContact NH2-OD2 2.67Å | ||
| 141 | R | 74.4 | Confident | 85.1 | Confident | 70 Ų | 70 | 41.4 Ų | 41.4 | 26% | 0.264 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -23.4 | -179.9 | -165.3 | -178.7 | 121.7 | 158.3 | 1.5 | 115.7 | D83 Y111 G113 | D83-R141 IonicContact OD2-CZ 3.66Å; D83-R141 IonicContact OD2-NH2 3.51Å; D83-R141 PolarHBondContact OD2-NH2 2.86Å; Y111-R141 HydrophobicContact CD2-CG 4.28Å; Y111-R141 HydrophobicContact CE1-CG 4.01Å; Y111-R141 HydrophobicContact CE2-CG 3.62Å; Y111-R141 VanDerWaalsContact CZ-CG 3.47Å; G113-R141 PolarHBondContact O-NH1 3.05Å; G113-R141 PolarHBondContact O-NH2 3.05Å |
| 142 | G | 70.5 | Confident | 85.4 | Confident | 72 Ų | 72 | 34.9 Ų | 34.9 | 74% | 0.742 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -12.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116 | R140 | R140-G142 PolarHBondContact O-N 2.86Š|
| 143 | E | 76.3 | Confident | 85.6 | Confident | 78 Ų | 78 | 35.2 Ų | 35.2 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -29.3 | 178.7 | -69.1 | 177.5 | -100.4 | 0 | 0 | 112.8 | K139 R140 | K139-E143 WeakPolarHBondContact CD-OE2 3.05Å; K139-E143 WeakPolarHBondContact CE-OE2 3.09Å; K139-E143 IonicContact NZ-OE2 2.68Å; K139-E143 PolarHBondContact NZ-OE2 2.82Å; R140-E143 HydrophobicContact CB-CG 4.22Å; R140-E143 WeakPolarHBondContact CB-OE1 3.34Å; R140-E143 PolarHBondContact N-OE1 2.78Å; R140-E143 PolarHBondContact O-N 3.48Å |
| 144 | M | 82 | Confident | 85.7 | Confident | 21 Ų | 21 | 37.2 Ų | 37.2 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -124.5 | 146.4 | -173.4 | -68.6 | -65.9 | -69.9 | 0 | 0 | 110.5 | M1 K135 Y136 K139 | M1-M144 HydrophobicContact SD-CE 4.47Å; K135-M144 HydrophobicContact CB-CE 4.04Å; Y136-M144 HydrophobicContact CD1-CB 3.8Å; Y136-M144 HydrophobicContact CD1-CE 4.29Å; Y136-M144 HydrophobicContact CD1-CG 4.25Å; Y136-M144 HydrophobicContact CD2-CE 4.16Å; Y136-M144 HydrophobicContact CE1-CB 3.44Å; Y136-M144 VanDerWaalsContact CE1-CB 3.44Å; Y136-M144 HydrophobicContact CE1-CE 4.1Å; Y136-M144 HydrophobicContact CE1-CG 4.27Å; Y136-M144 HydrophobicContact CE2-CE 3.94Å; Y136-M144 HydrophobicContact CG-CE 4.3Å; K139-M144 HydrophobicContact CB-CG 3.85Å; K139-M144 HydrophobicContact CG-CG 3.97Å |
| 145 | P | 86.4 | Confident | 85.8 | Confident | 8 Ų | 8 | 32.7 Ų | 32.7 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | trans | -61.1 | 168.2 | -178.2 | -23.4 | 34.3 | 0 | 0 | 0 | 114.1 | L11 Y136 H147 | L11-P145 WeakPolarHBondContact O-CB 3.43Å; L11-P145 WeakPolarHBondContact O-CG 2.93Å; Y136-P145 WeakPolarHBondContact CE1-O 3.45Å; Y136-P145 PolarHBondContact OH-O 3.3Å; P145-H147 PolarHBondContact O-N 2.74Å; P145-H147 VanDerWaalsContact O-N 3.14Å | ||
| 146 | P | 90.1 | Very high | 86.1 | Confident | 6 Ų | 6 | 31.4 Ų | 31.4 | 4% | 0.039 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -59 | 118.6 | 176.3 | -21.6 | 32.5 | 0 | 0 | 0 | 112 | E82 Y109 Y111 | E82-P146 HydrophobicContact CB-CG 3.62Å; E82-P146 HydrophobicContact CG-CG 4.06Å; E82-P146 WeakPolarHBondContact O-CG 3.35Å; Y109-P146 WeakPolarHBondContact CB-O 3.33Å; Y111-P146 HydrophobicContact CD1-CB 4.34Å; Y111-P146 HydrophobicContact CD2-CB 4.03Å; Y111-P146 HydrophobicContact CD2-CG 3.72Å; Y111-P146 HydrophobicContact CE1-CB 4.25Å; Y111-P146 HydrophobicContact CE2-CB 3.95Å; Y111-P146 HydrophobicContact CE2-CG 3.83Å; Y111-P146 HydrophobicContact CG-CB 4.22Å; Y111-P146 HydrophobicContact CG-CG 4.25Å |
| 147 | H | 91.4 | Very high | 86 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -156.2 | 149.8 | 175.8 | -164.9 | -115.6 | 0 | 0 | 0 | 110.9 | Y109 I127 Y128 Y136 P145 F149 S150 I151 | Y109-H147 AromaticContact CD2-CD2 3.49Å; Y109-H147 VanDerWaalsContact CD2-CD2 3.49Å; Y109-H147 WeakPolarHBondContact CD2-CD2 3.04Å; Y109-H147 AromaticContact CE2-CD2 3.48Å; Y109-H147 VanDerWaalsContact CE2-CD2 3.48Å; Y109-H147 WeakPolarHBondContact CE2-CD2 3.03Å; Y109-H147 AromaticContact CE2-NE2 3.74Å; I127-H147 PolarHBondContact O-CE1 3.38Å; Y128-H147 AromaticContact CD1-NE2 3.9Å; Y128-H147 AromaticContact CE1-NE2 3.67Å; Y136-H147 HydrophobicContact CE1-CB 3.75Å; Y136-H147 HydrophobicContact CE2-CB 3.94Å; Y136-H147 AromaticContact CE2-ND1 3.88Å; Y136-H147 VanDerWaalsContact CZ-CB 3.41Å; Y136-H147 WeakPolarHBondContact OH-CB 3.37Å; P145-H147 PolarHBondContact O-N 2.74Å; P145-H147 VanDerWaalsContact O-N 3.14Å; H147-F149 AromaticContact CE1-CD1 3.95Å; H147-F149 AromaticContact CE1-CD2 3.41Å; H147-F149 VanDerWaalsContact CE1-CD2 3.41Å; H147-F149 WeakPolarHBondContact CE1-CD2 3.13Å; H147-F149 AromaticContact CE1-CE2 3.68Å; H147-F149 AromaticContact CE1-CG 3.55Å; H147-F149 WeakPolarHBondContact ND1-CB 3.1Å; H147-F149 AromaticContact ND1-CD2 3.39Å; H147-F149 WeakPolarHBondContact ND1-CD2 3.36Å; H147-F149 AromaticContact ND1-CG 3.3Å; H147-F149 VanDerWaalsContact ND1-CG 3.3Å; H147-F149 WeakPolarHBondContact ND1-CG 3.36Å; H147-F149 PolarHBondContact ND1-N 2.75Å; H147-F149 PolarHBondContact O-N 2.7Å; H147-F149 VanDerWaalsContact O-N 3.14Å; H147-S150 PolarHBondContact O-N 2.76Å; H147-I151 PolarHBondContact O-N 2.68Å | ||
| 148 | I | 92.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -28.1 | 179 | -168.4 | 155.6 | 0 | 0 | 0 | 113.4 | Y109 Y128 I151 S152 N181 K184 V185 I657 | Y109-I148 HydrophobicContact CE1-CB 3.97Å; Y109-I148 HydrophobicContact CE1-CG2 4.47Å; Y109-I148 HydrophobicContact CE2-CB 4.44Å; Y109-I148 HydrophobicContact CE2-CG2 4.21Å; Y109-I148 WeakPolarHBondContact OH-CG2 3.4Å; Y128-I148 HydrophobicContact CE1-CG2 4.4Å; I148-I151 PolarHBondContact O-N 2.74Å; I148-S152 PolarHBondContact O-N 2.72Å; I148-S152 PolarHBondContact O-OG 3.49Å; I148-N181 HydrophobicContact CD1-CB 3.54Å; I148-N181 WeakPolarHBondContact CD1-O 3.17Å; I148-N181 WeakPolarHBondContact CD1-OD1 3.15Å; I148-K184 HydrophobicContact CG2-CB 3.93Å; I148-V185 HydrophobicContact CD1-CG2 3.72Å; I148-V185 HydrophobicContact CG1-CG2 3.7Å; I148-I657 HydrophobicContact CD1-CD1 3.75Å; I148-I657 HydrophobicContact CG1-CD1 3.84Å |
| 149 | F | 92.8 | Very high | 86.4 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.5 | -35.2 | 173.4 | -66.2 | -12.2 | 0 | 0 | 0 | 113.1 | Y128 V132 A133 Y136 H147 S152 D153 K184 Y188 | Y128-F149 HydrophobicContact CD1-CZ 4.29Å; V132-F149 HydrophobicContact CB-CE2 4.41Å; V132-F149 HydrophobicContact CG1-CD2 4.06Å; V132-F149 HydrophobicContact CG1-CE2 4.09Å; A133-F149 HydrophobicContact CB-CD2 4.14Å; A133-F149 HydrophobicContact CB-CE2 3.84Å; A133-F149 HydrophobicContact CB-CZ 4.35Å; Y136-F149 HydrophobicContact CD1-CB 4.41Å; Y136-F149 HydrophobicContact CD2-CB 4.04Å; Y136-F149 HydrophobicContact CD2-CD2 4.06Å; Y136-F149 HydrophobicContact CG-CB 3.85Å; H147-F149 AromaticContact CE1-CD1 3.95Å; H147-F149 AromaticContact CE1-CD2 3.41Å; H147-F149 VanDerWaalsContact CE1-CD2 3.41Å; H147-F149 WeakPolarHBondContact CE1-CD2 3.13Å; H147-F149 AromaticContact CE1-CE2 3.68Å; H147-F149 AromaticContact CE1-CG 3.55Å; H147-F149 WeakPolarHBondContact ND1-CB 3.1Å; H147-F149 AromaticContact ND1-CD2 3.39Å; H147-F149 WeakPolarHBondContact ND1-CD2 3.36Å; H147-F149 AromaticContact ND1-CG 3.3Å; H147-F149 VanDerWaalsContact ND1-CG 3.3Å; H147-F149 WeakPolarHBondContact ND1-CG 3.36Å; H147-F149 PolarHBondContact ND1-N 2.75Å; H147-F149 PolarHBondContact O-N 2.7Å; H147-F149 VanDerWaalsContact O-N 3.14Å; F149-S152 PolarHBondContact O-N 3.11Å; F149-D153 WeakPolarHBondContact O-CB 3.41Å; F149-D153 PolarHBondContact O-N 3.25Å; F149-K184 HydrophobicContact CE1-CB 4.19Å; F149-Y188 HydrophobicContact CB-CD2 3.54Å; F149-Y188 HydrophobicContact CB-CE2 3.61Å; F149-Y188 HydrophobicContact CB-CG 4.32Å; F149-Y188 AromaticContact CD1-CD2 3.5Å; F149-Y188 HydrophobicContact CD1-CD2 3.5Å; F149-Y188 VanDerWaalsContact CD1-CD2 3.5Å; F149-Y188 HydrophobicContact CD1-CE2 4.43Å; F149-Y188 AromaticContact CD1-CG 3.92Å; F149-Y188 HydrophobicContact CD1-CG 3.92Å; F149-Y188 AromaticContact CD2-CD2 3.96Å; F149-Y188 HydrophobicContact CD2-CD2 3.96Å; F149-Y188 HydrophobicContact CD2-CE2 4.33Å; F149-Y188 HydrophobicContact CE1-CD2 4.13Å; F149-Y188 AromaticContact CG-CD2 3.4Å; F149-Y188 HydrophobicContact CG-CD2 3.4Å; F149-Y188 AromaticContact CG-CE2 3.91Å; F149-Y188 HydrophobicContact CG-CE2 3.91Å; F149-Y188 HydrophobicContact CG-CG 4.23Å |
| 150 | S | 90.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.3 | -38.9 | 175.3 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | Y111 H147 S152 D153 N154 | Y111-S150 VanDerWaalsContact OH-CB 3.3Å; Y111-S150 WeakPolarHBondContact OH-CB 3.07Å; Y111-S150 PolarHBondContact OH-OG 3.37Å; H147-S150 PolarHBondContact O-N 2.76Å; S150-S152 VanDerWaalsContact C-N 3.25Å; S150-S152 PolarHBondContact O-N 2.71Å; S150-D153 PolarHBondContact O-N 3.4Å; S150-N154 WeakPolarHBondContact O-CB 3.42Å; S150-N154 VanDerWaalsContact O-CG 3.29Å; S150-N154 PolarHBondContact O-N 3.47Å; S150-N154 PolarHBondContact O-ND2 2.68Å; S150-N154 PolarHBondContact OG-ND2 2.73Å |
| 151 | I | 90.9 | Very high | 87.1 | Confident | 17 Ų | 17 | 31.1 Ų | 31.1 | 9% | 0.087 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.7 | -41.2 | 174.6 | -50.4 | 172.4 | 0 | 0 | 0 | 110.1 | Y111 C116 H147 I148 A155 I657 | Y111-I151 HydrophobicContact CE1-CG1 4.49Å; C116-I151 HydrophobicContact CB-CD1 3.36Å; C116-I151 HydrophobicContact CB-CG1 4.39Å; H147-I151 PolarHBondContact O-N 2.68Å; I148-I151 PolarHBondContact O-N 2.74Å; I151-A155 WeakPolarHBondContact O-CB 2.95Å; I151-A155 PolarHBondContact O-N 3.37Å; I151-I657 HydrophobicContact CD1-CD1 3.81Å; I151-I657 HydrophobicContact CD1-CG1 3.85Å; I151-I657 HydrophobicContact CG2-CD1 4.43Å |
| 152 | S | 92.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.7 | -44.5 | 176.5 | -51.4 | 0 | 0 | 0 | 0 | 112 | I148 F149 S150 A155 Y156 F189 | I148-S152 PolarHBondContact O-N 2.72Å; I148-S152 PolarHBondContact O-OG 3.49Å; F149-S152 PolarHBondContact O-N 3.11Å; S150-S152 VanDerWaalsContact C-N 3.25Å; S150-S152 PolarHBondContact O-N 2.71Å; S152-A155 PolarHBondContact O-N 2.69Å; S152-Y156 WeakPolarHBondContact O-CB 3.49Å; S152-Y156 PolarHBondContact O-N 2.8Å; S152-F189 WeakPolarHBondContact O-CE1 3.47Å |
| 153 | D | 91.6 | Very high | 88.2 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 176.7 | -162.1 | 60.6 | 0 | 0 | 0 | 112 | G138 K139 F149 S150 Y156 H157 Y188 | G138-D153 WeakPolarHBondContact CA-OD2 3.47Å; G138-D153 VanDerWaalsContact N-CG 3.26Å; G138-D153 PolarHBondContact N-OD1 2.8Å; G138-D153 PolarHBondContact N-OD2 2.68Å; K139-D153 PolarHBondContact N-OD2 2.66Å; F149-D153 WeakPolarHBondContact O-CB 3.41Å; F149-D153 PolarHBondContact O-N 3.25Å; S150-D153 PolarHBondContact O-N 3.4Å; D153-Y156 PolarHBondContact O-N 2.93Å; D153-H157 WeakPolarHBondContact O-CB 3.41Å; D153-H157 PolarHBondContact O-N 2.66Å; D153-Y188 HydrophobicContact CB-CE1 3.96Å; D153-Y188 VanDerWaalsContact CB-OH 3.31Å; D153-Y188 WeakPolarHBondContact CB-OH 3.24Å; D153-Y188 PolarHBondContact OD1-OH 2.78Å |
| 154 | N | 88.3 | Confident | 88.8 | Confident | 44 Ų | 44 | 39.2 Ų | 39.2 | 24% | 0.235 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 175.6 | -69.6 | -61.3 | 0 | 0 | 0 | 110.9 | S150 Y156 H157 N158 | S150-N154 WeakPolarHBondContact O-CB 3.42Å; S150-N154 VanDerWaalsContact O-CG 3.29Å; S150-N154 PolarHBondContact O-N 3.47Å; S150-N154 PolarHBondContact O-ND2 2.68Å; S150-N154 PolarHBondContact OG-ND2 2.73Å; N154-Y156 VanDerWaalsContact C-N 3.33Å; N154-Y156 PolarHBondContact O-N 2.77Å; N154-H157 PolarHBondContact O-N 3.4Å; N154-N158 WeakPolarHBondContact O-CB 3.48Å; N154-N158 PolarHBondContact O-N 3.04Å; N154-N158 PolarHBondContact O-OD1 3.43Å; N154-N158 VanDerWaalsContact O-OD1 3.12Å |
| 155 | A | 90.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I151 S152 M159 Q166 I168 | I151-A155 WeakPolarHBondContact O-CB 2.95Å; I151-A155 PolarHBondContact O-N 3.37Å; S152-A155 PolarHBondContact O-N 2.69Å; A155-M159 WeakPolarHBondContact O-CB 3.43Å; A155-M159 PolarHBondContact O-N 2.81Å; A155-Q166 WeakPolarHBondContact O-CG 3.31Å; A155-I168 HydrophobicContact CB-CD1 4.08Å; A155-I168 HydrophobicContact CB-CG1 4.3Å |
| 156 | Y | 91.7 | Very high | 89.6 | Confident | 35 Ų | 35 | 39.9 Ų | 39.9 | 14% | 0.137 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.3 | -37.8 | 175.1 | 176.3 | -104.3 | 0 | 0 | 0 | 113 | S152 D153 N154 M159 L160 V192 A193 F245 G249 | S152-Y156 WeakPolarHBondContact O-CB 3.49Å; S152-Y156 PolarHBondContact O-N 2.8Å; D153-Y156 PolarHBondContact O-N 2.93Å; N154-Y156 VanDerWaalsContact C-N 3.33Å; N154-Y156 PolarHBondContact O-N 2.77Å; Y156-M159 HydrophobicContact CD2-CE 3.92Å; Y156-M159 HydrophobicContact CE2-CE 4.14Å; Y156-L160 HydrophobicContact CD1-CD1 4.23Å; Y156-L160 HydrophobicContact CE1-CD1 3.69Å; Y156-L160 HydrophobicContact CE2-CD1 4.13Å; Y156-L160 WeakPolarHBondContact O-CG 3.3Å; Y156-L160 PolarHBondContact O-N 2.67Å; Y156-V192 HydrophobicContact CE1-CG1 4.34Å; Y156-A193 HydrophobicContact CE2-CB 3.84Å; Y156-F245 HydrophobicContact CD2-CE1 4.06Å; Y156-F245 HydrophobicContact CD2-CZ 4.39Å; Y156-F245 HydrophobicContact CE2-CD1 4.15Å; Y156-F245 AromaticContact CE2-CE1 3.97Å; Y156-F245 HydrophobicContact CE2-CE1 3.97Å; Y156-G249 VanDerWaalsContact CE2-O 3.3Å; Y156-G249 WeakPolarHBondContact CE2-O 3.12Å; Y156-G249 PolarHBondContact OH-O 2.93Å; Y156-G249 VanDerWaalsContact OH-O 3.08Å |
| 157 | H | 88.5 | Confident | 89.8 | Confident | 93 Ų | 93 | 39.6 Ų | 39.6 | 43% | 0.431 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.9 | -46.1 | 176.7 | -159.4 | 86.6 | 0 | 0 | 0 | 111.8 | D153 N154 M159 L160 Q161 | D153-H157 WeakPolarHBondContact O-CB 3.41Å; D153-H157 PolarHBondContact O-N 2.66Å; N154-H157 PolarHBondContact O-N 3.4Å; H157-M159 PolarHBondContact O-N 2.94Å; H157-L160 CarbonylContact O-C 3.48Å; H157-L160 PolarHBondContact O-N 2.62Å; H157-Q161 WeakPolarHBondContact O-CB 3.44Å; H157-Q161 PolarHBondContact O-N 3.32Å |
| 158 | N | 86.4 | Confident | 89.9 | Confident | 54 Ų | 54 | 39.6 Ų | 39.6 | 29% | 0.289 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57.8 | -46.9 | 176.1 | -69.2 | 8.5 | 0 | 0 | 0 | 111.1 | N154 L160 Q161 D162 | N154-N158 WeakPolarHBondContact O-CB 3.48Å; N154-N158 PolarHBondContact O-N 3.04Å; N154-N158 PolarHBondContact O-OD1 3.43Å; N154-N158 VanDerWaalsContact O-OD1 3.12Å; N158-L160 PolarHBondContact O-N 2.81Å; N158-L160 VanDerWaalsContact O-N 3.15Å; N158-Q161 PolarHBondContact O-N 3.3Å; N158-D162 WeakPolarHBondContact CB-OD2 3.33Å; N158-D162 VanDerWaalsContact O-CB 3.27Å; N158-D162 WeakPolarHBondContact O-CB 3.34Å; N158-D162 VanDerWaalsContact O-CG 3.25Å; N158-D162 PolarHBondContact O-N 2.9Å |
| 159 | M | 90.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.1 | -36.1 | 174.3 | -174.9 | -166 | 66 | 0 | 0 | 112.9 | A155 Y156 H157 R163 Q166 F245 F448 I450 | A155-M159 WeakPolarHBondContact O-CB 3.43Å; A155-M159 PolarHBondContact O-N 2.81Å; Y156-M159 HydrophobicContact CD2-CE 3.92Å; Y156-M159 HydrophobicContact CE2-CE 4.14Å; H157-M159 PolarHBondContact O-N 2.94Å; M159-R163 WeakPolarHBondContact O-CA 3.01Å; M159-R163 PolarHBondContact O-N 3.25Å; M159-Q166 HydrophobicContact CB-CG 3.79Å; M159-F245 HydrophobicContact CE-CB 3.8Å; M159-F245 HydrophobicContact CE-CD1 4.11Å; M159-F245 HydrophobicContact CE-CD2 3.68Å; M159-F245 HydrophobicContact CE-CE2 4.24Å; M159-F245 HydrophobicContact CE-CG 3.59Å; M159-F245 HydrophobicContact SD-CB 4.15Å; M159-F245 HydrophobicContact SD-CD2 3.41Å; M159-F245 WeakPolarHBondContact SD-CD2 3.45Å; M159-F245 HydrophobicContact SD-CE2 3.99Å; M159-F245 HydrophobicContact SD-CG 3.93Å; M159-F448 HydrophobicContact CG-CB 3.7Å; M159-F448 HydrophobicContact CG-CG 4.29Å; M159-F448 HydrophobicContact SD-CB 3.67Å; M159-I450 HydrophobicContact SD-CD1 4.17Å; M159-I450 HydrophobicContact SD-CG1 3.79Å |
| 160 | L | 86.9 | Confident | 89.7 | Confident | 67 Ų | 67 | 39.4 Ų | 39.4 | 35% | 0.351 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -84.3 | -30.6 | 179.8 | -67.8 | 174.9 | 0 | 0 | 0 | 113.9 | Y156 H157 N158 | Y156-L160 HydrophobicContact CD1-CD1 4.23Å; Y156-L160 HydrophobicContact CE1-CD1 3.69Å; Y156-L160 HydrophobicContact CE2-CD1 4.13Å; Y156-L160 WeakPolarHBondContact O-CG 3.3Å; Y156-L160 PolarHBondContact O-N 2.67Å; H157-L160 CarbonylContact O-C 3.48Å; H157-L160 PolarHBondContact O-N 2.62Å; N158-L160 PolarHBondContact O-N 2.81Å; N158-L160 VanDerWaalsContact O-N 3.15Å |
| 161 | Q | 83.9 | Confident | 89.5 | Confident | 78 Ų | 78 | 40 Ų | 40 | 36% | 0.364 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -79.1 | -56.3 | 177.1 | 180 | 175.4 | -33.7 | 0 | 0 | 110.9 | H157 N158 E704 | H157-Q161 WeakPolarHBondContact O-CB 3.44Å; H157-Q161 PolarHBondContact O-N 3.32Å; N158-Q161 PolarHBondContact O-N 3.3Å; Q161-E704 PolarHBondContact NE2-OE1 2.87Å; Q161-E704 VanDerWaalsContact NE2-OE1 3.08Å |
| 162 | D | 83.3 | Confident | 89 | Confident | 75 Ų | 75 | 39.2 Ų | 39.2 | 40% | 0.401 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -77.6 | -26.7 | -172.6 | -49.5 | -27.3 | 0 | 0 | 0 | 112 | N158 E164 | N158-D162 WeakPolarHBondContact CB-OD2 3.33Å; N158-D162 VanDerWaalsContact O-CB 3.27Å; N158-D162 WeakPolarHBondContact O-CB 3.34Å; N158-D162 VanDerWaalsContact O-CG 3.25Å; N158-D162 PolarHBondContact O-N 2.9Å; D162-E164 HydrophobicContact CB-CB 4.46Å; D162-E164 PolarHBondContact O-N 3.02Å |
| 163 | R | 85.9 | Confident | 88.4 | Confident | 189 Ų | 189 | 40.3 Ų | 40.3 | 71% | 0.713 | 19% | 0.189 | S | C | * | . | trans | 61 | 27 | -171 | -54.5 | -178.7 | 177.4 | -174.4 | -0.1 | 113.8 | M159 F448 | M159-R163 WeakPolarHBondContact O-CA 3.01Å; M159-R163 PolarHBondContact O-N 3.25Å; R163-F448 HydrophobicContact CB-CE1 3.86Å; R163-F448 HydrophobicContact CB-CZ 3.94Å; R163-F448 HydrophobicContact CG-CZ 4.29Å; R163-F448 WeakPolarHBondContact O-CE1 3.36Å | ||
| 164 | E | 87.5 | Confident | 87.6 | Confident | 126 Ų | 126 | 40.1 Ų | 40.1 | 59% | 0.589 | 19% | 0.189 | S | C | * | . | trans | -109.1 | 148 | 173.9 | -64.1 | -168 | 163.3 | 0 | 0 | 111.6 | D162 Q166 | D162-E164 HydrophobicContact CB-CB 4.46Å; D162-E164 PolarHBondContact O-N 3.02Å; E164-Q166 PolarHBondContact O-NE2 3.07Å | ||
| 165 | N | 92.5 | Very high | 87.1 | Confident | 42 Ų | 42 | 38.4 Ų | 38.4 | 23% | 0.225 | 18% | 0.181 | C | C | . | . | trans | -65.8 | 144.3 | 176 | -62.3 | -55.6 | 0 | 0 | 0 | 110.7 | F448 F449 T652 S653 | N165-F448 VanDerWaalsContact OD1-CA 3.32Å; N165-F448 WeakPolarHBondContact OD1-CA 3.18Å; N165-F449 HydrophobicContact CB-CD1 4.12Å; N165-F449 HydrophobicContact CB-CE1 3.84Å; N165-F449 HydrophobicContact CB-CE2 4.41Å; N165-F449 HydrophobicContact CB-CZ 3.99Å; N165-F449 VanDerWaalsContact CG-CE1 3.43Å; N165-F449 VanDerWaalsContact OD1-CD1 3.27Å; N165-F449 WeakPolarHBondContact OD1-CD1 3.45Å; N165-F449 PolarHBondContact OD1-N 2.88Å; N165-T652 HydrophobicContact CB-CG2 3.84Å; N165-T652 CarbonylContact O-C 3.53Å; N165-T652 WeakPolarHBondContact O-CA 3.49Å; N165-T652 WeakPolarHBondContact O-CB 3.44Å; N165-S653 PolarHBondContact O-N 3.45Å | ||
| 166 | Q | 93.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 161.4 | -177 | -47.8 | -75.9 | -55.4 | 0 | 0 | 110 | A155 M159 E164 F449 I450 G451 S653 | A155-Q166 WeakPolarHBondContact O-CG 3.31Å; M159-Q166 HydrophobicContact CB-CG 3.79Å; E164-Q166 PolarHBondContact O-NE2 3.07Å; Q166-F449 PolarHBondContact N-O 3.3Å; Q166-F449 VanDerWaalsContact N-O 3.12Å; Q166-I450 HydrophobicContact CB-CG1 4.33Å; Q166-I450 CarbonylContact O-C 3.57Å; Q166-I450 WeakPolarHBondContact O-CA 3.39Å; Q166-G451 PolarHBondContact O-N 2.69Å; Q166-S653 CarbonylContact C-O 3.54Å; Q166-S653 WeakPolarHBondContact CA-O 3.13Å |
| 167 | S | 93.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 153 | 168.5 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | L169 G451 T652 S653 S655 | S167-L169 VanDerWaalsContact OG-CD1 3.31Å; S167-L169 WeakPolarHBondContact OG-CD1 3.45Å; S167-G451 CarbonylContact C-O 3.59Å; S167-G451 WeakPolarHBondContact CA-O 3.32Å; S167-G451 WeakPolarHBondContact CB-O 3.24Å; S167-T652 VanDerWaalsContact CB-OG1 3.29Å; S167-T652 WeakPolarHBondContact CB-OG1 3.44Å; S167-T652 PolarHBondContact OG-OG1 2.91Å; S167-S653 PolarHBondContact N-O 2.52Å; S167-S655 WeakPolarHBondContact O-CB 2.98Å; S167-S655 PolarHBondContact O-N 2.86Å |
| 168 | I | 93.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 106 | 175.3 | -61 | 173.1 | 0 | 0 | 0 | 107.1 | A155 I170 V185 F189 I450 G451 V452 L453 S655 I657 | A155-I168 HydrophobicContact CB-CD1 4.08Å; A155-I168 HydrophobicContact CB-CG1 4.3Å; I168-I170 HydrophobicContact CG2-CD1 4.41Å; I168-I170 HydrophobicContact CG2-CG1 4.13Å; I168-V185 HydrophobicContact CD1-CG1 3.72Å; I168-V185 HydrophobicContact CG2-CG2 4.45Å; I168-F189 HydrophobicContact CD1-CE2 4.33Å; I168-F189 HydrophobicContact CD1-CZ 4.04Å; I168-I450 HydrophobicContact CD1-CG2 4.01Å; I168-I450 HydrophobicContact CG1-CG2 4.15Å; I168-G451 PolarHBondContact N-O 2.68Å; I168-V452 HydrophobicContact CB-CG1 4.45Å; I168-V452 WeakPolarHBondContact O-CA 3.12Å; I168-L453 PolarHBondContact O-N 2.95Å; I168-S655 CarbonylContact C-O 3.51Å; I168-S655 WeakPolarHBondContact CA-O 2.95Å; I168-I657 HydrophobicContact CG2-CD1 3.96Å; I168-I657 HydrophobicContact CG2-CG1 4.36Å |
| 169 | L | 91.7 | Very high | 86.1 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113.1 | -176.2 | -68.3 | 82.7 | 0 | 0 | 0 | 109.6 | S167 L453 L478 F481 L649 P654 S655 F656 I657 | S167-L169 VanDerWaalsContact OG-CD1 3.31Å; S167-L169 WeakPolarHBondContact OG-CD1 3.45Å; L169-L453 HydrophobicContact CD2-CD2 4.35Å; L169-L453 HydrophobicContact CG-CD2 4.41Å; L169-L478 HydrophobicContact CD2-CD2 4.45Å; L169-F481 HydrophobicContact CD2-CD1 3.95Å; L169-F481 HydrophobicContact CD2-CE1 3.72Å; L169-L649 HydrophobicContact CD1-CD2 4.23Å; L169-L649 HydrophobicContact CD2-CD1 4.19Å; L169-L649 HydrophobicContact CD2-CD2 4.18Å; L169-L649 HydrophobicContact CG-CD2 4.2Å; L169-P654 HydrophobicContact CD1-CB 3.68Å; L169-S655 PolarHBondContact N-O 3.4Å; L169-F656 HydrophobicContact CB-CD1 3.94Å; L169-F656 HydrophobicContact CB-CE1 4.27Å; L169-F656 HydrophobicContact CD2-CD1 4.4Å; L169-F656 HydrophobicContact CD2-CE1 3.88Å; L169-F656 HydrophobicContact CG-CE1 4.46Å; L169-I657 PolarHBondContact O-N 3.08Å |
| 170 | I | 90 | Very high | 85.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 112.6 | -178.5 | -53.2 | -177.4 | 0 | 0 | 0 | 107.9 | I168 K178 N181 V185 V452 L453 I657 | I168-I170 HydrophobicContact CG2-CD1 4.41Å; I168-I170 HydrophobicContact CG2-CG1 4.13Å; I170-K178 HydrophobicContact CG2-CB 3.85Å; I170-K178 HydrophobicContact CG2-CG 4.13Å; I170-N181 HydrophobicContact CD1-CB 4.15Å; I170-N181 HydrophobicContact CG2-CB 4.19Å; I170-V185 HydrophobicContact CD1-CG2 4.28Å; I170-V452 HydrophobicContact CD1-CG1 4.18Å; I170-L453 PolarHBondContact N-O 3.4Å; I170-I657 HydrophobicContact CD1-CD1 4.38Å; I170-I657 HydrophobicContact CG1-CB 4.26Å; I170-I657 HydrophobicContact CG1-CD1 4.24Å |
| 171 | T | 86.1 | Confident | 86 | Confident | 11 Ų | 11 | 33.1 Ų | 33.1 | 7% | 0.067 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 161.3 | -165.1 | 53.2 | 0 | 0 | 0 | 0 | 111.3 | I657 R658 C659 | T171-I657 PolarHBondContact N-O 2.73Å; T171-I657 PolarHBondContact OG1-O 3.39Å; T171-I657 VanDerWaalsContact OG1-O 3.07Å; T171-R658 WeakPolarHBondContact OG1-CD 3.42Å; T171-C659 WeakPolarHBondContact O-CB 3.11Å; T171-C659 PolarHBondContact O-N 2.82Å |
| 172 | G | 80.6 | Confident | 86.2 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.9 | 176.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K178 G457 C659 | G172-K178 PolarHBondContact O-NZ 2.63Å; G172-G457 WeakPolarHBondContact O-CA 3.34Å; G172-C659 WeakPolarHBondContact CA-O 3.21Å |
| 173 | E | 78.9 | Confident | 86.4 | Confident | 22 Ų | 22 | 28 Ų | 28 | 10% | 0.103 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -65.5 | 166.2 | -174.4 | -72.9 | -167.7 | -148.4 | 0 | 0 | 114.8 | G175 A176 K178 R230 V661 Q679 | E173-G175 PolarHBondContact O-N 3.16Å; E173-A176 VanDerWaalsContact O-CB 3.27Å; E173-A176 WeakPolarHBondContact O-CB 3.02Å; E173-A176 PolarHBondContact O-N 3.31Å; E173-K178 PolarHBondContact O-NZ 3.21Å; E173-R230 IonicContact OE2-NH1 2.75Å; E173-R230 PolarHBondContact OE2-NH1 3.25Å; E173-R230 VanDerWaalsContact OE2-NH1 3.15Å; E173-V661 HydrophobicContact CB-CG2 4.03Å; E173-Q679 HydrophobicContact CG-CG 4.4Å; E173-Q679 WeakPolarHBondContact OE1-CG 3.04Å |
| 174 | S | 76.2 | Confident | 86.5 | Confident | 4 Ų | 4 | 20.9 Ų | 20.9 | 3% | 0.028 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 123.8 | 170.8 | -157.1 | 0 | 0 | 0 | 0 | 109.9 | S234 E459 | S174-S234 PolarHBondContact OG-OG 3Å; S174-E459 VanDerWaalsContact CB-OE1 3.29Å; S174-E459 WeakPolarHBondContact CB-OE1 3.18Å; S174-E459 PolarHBondContact OG-OE1 3.32Å |
| 175 | G | 76.8 | Confident | 86.7 | Confident | 7 Ų | 7 | 14.9 Ų | 14.9 | 7% | 0.072 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94 | -7.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | N120 E173 G177 | N120-G175 PolarHBondContact ND2-O 3.26Å; E173-G175 PolarHBondContact O-N 3.16Å; G175-G177 PolarHBondContact O-N 2.89Å |
| 176 | A | 83.3 | Confident | 86.5 | Confident | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -69.4 | 2.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | E173 C659 V661 | E173-A176 VanDerWaalsContact O-CB 3.27Å; E173-A176 WeakPolarHBondContact O-CB 3.02Å; E173-A176 PolarHBondContact O-N 3.31Å; A176-C659 HydrophobicContact CB-CB 3.63Å; A176-C659 WeakPolarHBondContact O-CB 3.1Å; A176-V661 HydrophobicContact CB-CG2 3.82Å |
| 177 | G | 84.3 | Confident | 86.1 | Confident | 17 Ų | 17 | 15.3 Ų | 15.3 | 18% | 0.175 | 9% | 0.085 | C | C | . | . | trans | 81.7 | 22.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | G175 T179 E180 N181 | G175-G177 PolarHBondContact O-N 2.89Å; G177-T179 PolarHBondContact O-N 2.74Å; G177-E180 PolarHBondContact O-N 3.35Å; G177-N181 PolarHBondContact O-N 2.69Å; G177-N181 VanDerWaalsContact O-N 3.1Å; G177-N181 PolarHBondContact O-ND2 3.01Å | ||
| 178 | K | 86.4 | Confident | 86 | Confident | 13 Ų | 13 | 15.3 Ų | 15.3 | 6% | 0.057 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -56.1 | -50.9 | -179 | -59.9 | -168.5 | -67.2 | -81.4 | 0 | 113.2 | I170 G172 E173 E180 N181 T182 D454 I455 C659 | I170-K178 HydrophobicContact CG2-CB 3.85Å; I170-K178 HydrophobicContact CG2-CG 4.13Å; G172-K178 PolarHBondContact O-NZ 2.63Å; E173-K178 PolarHBondContact O-NZ 3.21Å; K178-E180 VanDerWaalsContact C-N 3.34Å; K178-E180 PolarHBondContact O-N 3.17Å; K178-N181 WeakPolarHBondContact O-CB 3.34Å; K178-N181 PolarHBondContact O-N 2.99Å; K178-T182 PolarHBondContact O-N 2.84Å; K178-T182 PolarHBondContact O-OG1 2.75Å; K178-D454 WeakPolarHBondContact CB-OD1 3.29Å; K178-I455 WeakPolarHBondContact CE-O 3Å; K178-C659 HydrophobicContact CG-CB 4.04Å |
| 179 | T | 82.6 | Confident | 85.8 | Confident | 19 Ų | 19 | 15.3 Ų | 15.3 | 12% | 0.117 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.8 | -34.6 | 179.1 | -50.9 | 0 | 0 | 0 | 0 | 113.3 | G177 T182 K183 E221 S235 D454 | G177-T179 PolarHBondContact O-N 2.74Å; T179-T182 WeakPolarHBondContact O-CB 3.35Å; T179-T182 PolarHBondContact O-N 2.75Å; T179-K183 WeakPolarHBondContact O-CG 3.48Å; T179-K183 PolarHBondContact O-N 2.79Å; T179-E221 WeakPolarHBondContact CG2-OE1 3.09Å; T179-S235 PolarHBondContact OG1-OG 3.33Å; T179-D454 VanDerWaalsContact CA-OD2 3.27Å; T179-D454 WeakPolarHBondContact CA-OD2 2.98Å; T179-D454 WeakPolarHBondContact CB-OD2 3.41Å; T179-D454 WeakPolarHBondContact CG2-OD2 3.36Å; T179-D454 PolarHBondContact N-OD1 2.9Å; T179-D454 PolarHBondContact OG1-OD1 3.07Å; T179-D454 PolarHBondContact OG1-OD2 3.39Å |
| 180 | E | 84.2 | Confident | 85.4 | Confident | 72 Ų | 72 | 16.2 Ų | 16.2 | 34% | 0.336 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -68 | -41 | 174 | -79 | -59.3 | 118.8 | 0 | 0 | 112 | G177 K178 T182 K183 K184 | G177-E180 PolarHBondContact O-N 3.35Å; K178-E180 VanDerWaalsContact C-N 3.34Å; K178-E180 PolarHBondContact O-N 3.17Å; E180-T182 VanDerWaalsContact C-N 3.34Å; E180-K183 PolarHBondContact O-N 3.24Å; E180-K183 WeakPolarHBondContact OE1-CD 3.47Å; E180-K183 WeakPolarHBondContact OE1-CE 3.3Å; E180-K183 IonicContact OE1-NZ 3.93Å; E180-K183 PolarHBondContact OE1-NZ 3.32Å; E180-K184 WeakPolarHBondContact O-CG 3.25Å; E180-K184 PolarHBondContact O-N 2.86Å; E180-K184 IonicContact OE2-NZ 3.27Å; E180-K184 PolarHBondContact OE2-NZ 3.26Å |
| 181 | N | 90.2 | Very high | 85.1 | Confident | 16 Ų | 16 | 18.5 Ų | 18.5 | 9% | 0.086 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 172.5 | -78.1 | -68.4 | 0 | 0 | 0 | 111.5 | Y109 I148 I170 G177 K178 K183 K184 V185 | Y109-N181 WeakPolarHBondContact CE1-OD1 3.22Å; Y109-N181 PolarHBondContact OH-OD1 2.99Å; I148-N181 HydrophobicContact CD1-CB 3.54Å; I148-N181 WeakPolarHBondContact CD1-O 3.17Å; I148-N181 WeakPolarHBondContact CD1-OD1 3.15Å; I170-N181 HydrophobicContact CD1-CB 4.15Å; I170-N181 HydrophobicContact CG2-CB 4.19Å; G177-N181 PolarHBondContact O-N 2.69Å; G177-N181 VanDerWaalsContact O-N 3.1Å; G177-N181 PolarHBondContact O-ND2 3.01Å; K178-N181 WeakPolarHBondContact O-CB 3.34Å; K178-N181 PolarHBondContact O-N 2.99Å; N181-K183 VanDerWaalsContact C-N 3.35Å; N181-K183 PolarHBondContact O-N 3.41Å; N181-K184 PolarHBondContact O-N 2.82Å; N181-V185 PolarHBondContact O-N 2.75Å; N181-V185 VanDerWaalsContact O-N 3.09Å |
| 182 | T | 88.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -55.1 | -46.9 | 174.1 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | K178 T179 E180 K184 V185 I186 I241 V452 D454 | K178-T182 PolarHBondContact O-N 2.84Å; K178-T182 PolarHBondContact O-OG1 2.75Å; T179-T182 WeakPolarHBondContact O-CB 3.35Å; T179-T182 PolarHBondContact O-N 2.75Å; E180-T182 VanDerWaalsContact C-N 3.34Å; T182-K184 VanDerWaalsContact C-N 3.29Å; T182-K184 PolarHBondContact O-N 2.7Å; T182-V185 PolarHBondContact O-N 2.68Å; T182-I186 HydrophobicContact CG2-CD1 4.19Å; T182-I186 WeakPolarHBondContact O-CG1 3.19Å; T182-I186 PolarHBondContact O-N 3.33Å; T182-I186 VanDerWaalsContact O-N 3.13Å; T182-I241 HydrophobicContact CG2-CD1 4.26Å; T182-V452 HydrophobicContact CG2-CG1 3.95Å; T182-D454 HydrophobicContact CG2-CB 4.05Å; T182-D454 WeakPolarHBondContact OG1-CB 3.43Å |
| 183 | K | 86.9 | Confident | 85.1 | Confident | 45 Ų | 45 | 18.4 Ų | 18.4 | 20% | 0.196 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.5 | -39.4 | 174.5 | -69.2 | 169.2 | -170.2 | 169.8 | 0 | 112 | T179 E180 N181 I186 S187 E221 | T179-K183 WeakPolarHBondContact O-CG 3.48Å; T179-K183 PolarHBondContact O-N 2.79Å; E180-K183 PolarHBondContact O-N 3.24Å; E180-K183 WeakPolarHBondContact OE1-CD 3.47Å; E180-K183 WeakPolarHBondContact OE1-CE 3.3Å; E180-K183 IonicContact OE1-NZ 3.93Å; E180-K183 PolarHBondContact OE1-NZ 3.32Å; N181-K183 VanDerWaalsContact C-N 3.35Å; N181-K183 PolarHBondContact O-N 3.41Å; K183-I186 PolarHBondContact O-N 3.33Å; K183-S187 PolarHBondContact O-N 3.49Å; K183-S187 PolarHBondContact O-OG 2.65Å; K183-S187 VanDerWaalsContact O-OG 3.04Å; K183-E221 VanDerWaalsContact CE-CD 3.49Å; K183-E221 WeakPolarHBondContact CE-OE1 3.32Å; K183-E221 WeakPolarHBondContact CE-OE2 2.98Å; K183-E221 IonicContact NZ-OE1 3.94Å; K183-E221 PolarHBondContact NZ-OE1 3.12Å; K183-E221 IonicContact NZ-OE2 2.75Å; K183-E221 PolarHBondContact NZ-OE2 3.05Å |
| 184 | K | 89.7 | Confident | 84.8 | Confident | 40 Ų | 40 | 19 Ų | 19 | 17% | 0.174 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.2 | -36.4 | -179.6 | -51.4 | -42.9 | 172.1 | -154.1 | 0 | 112.9 | Y128 I148 F149 E180 N181 T182 I186 S187 Y188 | Y128-K184 HydrophobicContact CD1-CB 4.26Å; Y128-K184 HydrophobicContact CD1-CD 3.77Å; Y128-K184 HydrophobicContact CD1-CG 3.66Å; Y128-K184 HydrophobicContact CD2-CD 4.24Å; Y128-K184 HydrophobicContact CE1-CB 4.39Å; Y128-K184 HydrophobicContact CE1-CD 4.15Å; Y128-K184 HydrophobicContact CE1-CG 3.65Å; Y128-K184 HydrophobicContact CG-CD 3.81Å; Y128-K184 HydrophobicContact CG-CG 4.23Å; I148-K184 HydrophobicContact CG2-CB 3.93Å; F149-K184 HydrophobicContact CE1-CB 4.19Å; E180-K184 WeakPolarHBondContact O-CG 3.25Å; E180-K184 PolarHBondContact O-N 2.86Å; E180-K184 IonicContact OE2-NZ 3.27Å; E180-K184 PolarHBondContact OE2-NZ 3.26Å; N181-K184 PolarHBondContact O-N 2.82Å; T182-K184 VanDerWaalsContact C-N 3.29Å; T182-K184 PolarHBondContact O-N 2.7Å; K184-I186 VanDerWaalsContact C-N 3.35Å; K184-S187 PolarHBondContact O-N 2.82Å; K184-Y188 WeakPolarHBondContact O-CB 2.9Å; K184-Y188 PolarHBondContact O-N 3.03Å |
| 185 | V | 91.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60 | -46.8 | 172 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | I148 I168 I170 N181 T182 Y188 F189 V452 | I148-V185 HydrophobicContact CD1-CG2 3.72Å; I148-V185 HydrophobicContact CG1-CG2 3.7Å; I168-V185 HydrophobicContact CD1-CG1 3.72Å; I168-V185 HydrophobicContact CG2-CG2 4.45Å; I170-V185 HydrophobicContact CD1-CG2 4.28Å; N181-V185 PolarHBondContact O-N 2.75Å; N181-V185 VanDerWaalsContact O-N 3.09Å; T182-V185 PolarHBondContact O-N 2.68Å; V185-Y188 WeakPolarHBondContact O-CB 3.33Å; V185-Y188 PolarHBondContact O-N 3.28Å; V185-F189 HydrophobicContact CG1-CD2 4.04Å; V185-F189 HydrophobicContact CG1-CE2 3.4Å; V185-F189 HydrophobicContact CG1-CZ 4.06Å; V185-F189 VanDerWaalsContact O-CD2 3.32Å; V185-F189 WeakPolarHBondContact O-CD2 3Å; V185-F189 PolarHBondContact O-N 3.18Å; V185-V452 HydrophobicContact CG1-CG1 4.39Å; V185-V452 HydrophobicContact CG1-CG2 3.78Å |
| 186 | I | 88.1 | Confident | 83.5 | Confident | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.2 | -50 | 176.8 | -65.3 | 166.9 | 0 | 0 | 0 | 111 | T182 K183 K184 Y188 F189 A190 I213 V214 I241 I243 | T182-I186 HydrophobicContact CG2-CD1 4.19Å; T182-I186 WeakPolarHBondContact O-CG1 3.19Å; T182-I186 PolarHBondContact O-N 3.33Å; T182-I186 VanDerWaalsContact O-N 3.13Å; K183-I186 PolarHBondContact O-N 3.33Å; K184-I186 VanDerWaalsContact C-N 3.35Å; I186-Y188 PolarHBondContact O-N 2.95Å; I186-F189 PolarHBondContact O-N 2.68Å; I186-A190 VanDerWaalsContact O-CB 3.31Å; I186-A190 WeakPolarHBondContact O-CB 2.81Å; I186-A190 PolarHBondContact O-N 2.8Å; I186-I213 HydrophobicContact CG2-CG2 3.67Å; I186-V214 HydrophobicContact CG2-CG2 4.01Å; I186-I241 HydrophobicContact CD1-CD1 3.79Å; I186-I243 HydrophobicContact CG1-CD1 4.36Å |
| 187 | S | 85.8 | Confident | 82.3 | Confident | 47 Ų | 47 | 33 Ų | 33 | 33% | 0.329 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.1 | -30.8 | 177.3 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | K183 K184 V191 | K183-S187 PolarHBondContact O-N 3.49Å; K183-S187 PolarHBondContact O-OG 2.65Å; K183-S187 VanDerWaalsContact O-OG 3.04Å; K184-S187 PolarHBondContact O-N 2.82Å; S187-V191 WeakPolarHBondContact O-CG2 3.24Å; S187-V191 PolarHBondContact O-N 3.32Å |
| 188 | Y | 90.6 | Very high | 80.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.1 | -51.5 | 176.1 | -173.5 | -99.9 | 0 | 0 | 0 | 111.8 | A133 Y136 K137 F149 D153 K184 V185 I186 A190 V191 V192 | A133-Y188 HydrophobicContact CB-CD2 4.01Å; A133-Y188 HydrophobicContact CB-CE2 4.21Å; Y136-Y188 PolarHBondContact O-OH 2.63Å; K137-Y188 WeakPolarHBondContact CA-OH 2.9Å; F149-Y188 HydrophobicContact CB-CD2 3.54Å; F149-Y188 HydrophobicContact CB-CE2 3.61Å; F149-Y188 HydrophobicContact CB-CG 4.32Å; F149-Y188 AromaticContact CD1-CD2 3.5Å; F149-Y188 HydrophobicContact CD1-CD2 3.5Å; F149-Y188 VanDerWaalsContact CD1-CD2 3.5Å; F149-Y188 HydrophobicContact CD1-CE2 4.43Å; F149-Y188 AromaticContact CD1-CG 3.92Å; F149-Y188 HydrophobicContact CD1-CG 3.92Å; F149-Y188 AromaticContact CD2-CD2 3.96Å; F149-Y188 HydrophobicContact CD2-CD2 3.96Å; F149-Y188 HydrophobicContact CD2-CE2 4.33Å; F149-Y188 HydrophobicContact CE1-CD2 4.13Å; F149-Y188 AromaticContact CG-CD2 3.4Å; F149-Y188 HydrophobicContact CG-CD2 3.4Å; F149-Y188 AromaticContact CG-CE2 3.91Å; F149-Y188 HydrophobicContact CG-CE2 3.91Å; F149-Y188 HydrophobicContact CG-CG 4.23Å; D153-Y188 HydrophobicContact CB-CE1 3.96Å; D153-Y188 VanDerWaalsContact CB-OH 3.31Å; D153-Y188 WeakPolarHBondContact CB-OH 3.24Å; D153-Y188 PolarHBondContact OD1-OH 2.78Å; K184-Y188 WeakPolarHBondContact O-CB 2.9Å; K184-Y188 PolarHBondContact O-N 3.03Å; V185-Y188 WeakPolarHBondContact O-CB 3.33Å; V185-Y188 PolarHBondContact O-N 3.28Å; I186-Y188 PolarHBondContact O-N 2.95Å; Y188-A190 VanDerWaalsContact C-N 3.3Å; Y188-A190 PolarHBondContact O-N 3.5Å; Y188-V191 PolarHBondContact O-N 3.13Å; Y188-V191 VanDerWaalsContact O-N 3.12Å; Y188-V192 HydrophobicContact CD1-CB 4.5Å; Y188-V192 HydrophobicContact CD1-CG2 4.27Å; Y188-V192 HydrophobicContact CD2-CG2 4.17Å; Y188-V192 HydrophobicContact CE1-CB 4.12Å; Y188-V192 HydrophobicContact CE1-CG1 4.29Å; Y188-V192 HydrophobicContact CE1-CG2 3.81Å; Y188-V192 HydrophobicContact CE2-CG2 3.71Å; Y188-V192 HydrophobicContact CG-CG2 4.44Å; Y188-V192 WeakPolarHBondContact O-CB 3.44Å; Y188-V192 WeakPolarHBondContact O-CG2 3.24Å; Y188-V192 PolarHBondContact O-N 3.43Å |
| 189 | F | 90 | Very high | 79.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 177.6 | -59.3 | -44.8 | 0 | 0 | 0 | 112.1 | S152 I168 V185 I186 V191 V192 A193 I243 F245 I251 I450 | S152-F189 WeakPolarHBondContact O-CE1 3.47Å; I168-F189 HydrophobicContact CD1-CE2 4.33Å; I168-F189 HydrophobicContact CD1-CZ 4.04Å; V185-F189 HydrophobicContact CG1-CD2 4.04Å; V185-F189 HydrophobicContact CG1-CE2 3.4Å; V185-F189 HydrophobicContact CG1-CZ 4.06Å; V185-F189 VanDerWaalsContact O-CD2 3.32Å; V185-F189 WeakPolarHBondContact O-CD2 3Å; V185-F189 PolarHBondContact O-N 3.18Å; I186-F189 PolarHBondContact O-N 2.68Å; F189-V191 PolarHBondContact O-N 3.5Å; F189-V192 PolarHBondContact O-N 2.69Å; F189-A193 PolarHBondContact O-N 2.65Å; F189-I243 HydrophobicContact CD2-CD1 3.64Å; F189-I243 HydrophobicContact CE2-CD1 4.36Å; F189-F245 HydrophobicContact CD1-CZ 4.46Å; F189-F245 HydrophobicContact CG-CZ 4.33Å; F189-I251 HydrophobicContact CB-CD1 4.33Å; F189-I450 HydrophobicContact CE1-CD1 3.92Å; F189-I450 HydrophobicContact CE2-CD1 4.22Å; F189-I450 HydrophobicContact CE2-CG2 4.14Å; F189-I450 HydrophobicContact CZ-CD1 3.63Å; F189-I450 HydrophobicContact CZ-CG2 4.19Å |
| 190 | A | 83.7 | Confident | 77.8 | Confident | 21 Ų | 21 | 55.9 Ų | 55.9 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.7 | -18.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I186 Y188 A194 E210 V214 | I186-A190 VanDerWaalsContact O-CB 3.31Å; I186-A190 WeakPolarHBondContact O-CB 2.81Å; I186-A190 PolarHBondContact O-N 2.8Å; Y188-A190 VanDerWaalsContact C-N 3.3Å; Y188-A190 PolarHBondContact O-N 3.5Å; A190-A194 WeakPolarHBondContact O-CB 3.07Å; A190-E210 HydrophobicContact CB-CB 3.97Å; A190-V214 HydrophobicContact CB-CG2 4.47Å |
| 191 | V | 83.8 | Confident | 76 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -101.6 | -42.7 | 172.9 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | E130 A133 L134 S187 Y188 F189 | E130-V191 HydrophobicContact CG-CG1 3.93Å; E130-V191 HydrophobicContact CG-CG2 4.34Å; A133-V191 HydrophobicContact CB-CG1 4.3Å; L134-V191 HydrophobicContact CD2-CG1 4.46Å; S187-V191 WeakPolarHBondContact O-CG2 3.24Å; S187-V191 PolarHBondContact O-N 3.32Å; Y188-V191 PolarHBondContact O-N 3.13Å; Y188-V191 VanDerWaalsContact O-N 3.12Å; F189-V191 PolarHBondContact O-N 3.5Å |
| 192 | V | 84.6 | Confident | 74.2 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -82.5 | -35.5 | -168.5 | 170.6 | 0 | 0 | 0 | 0 | 113.6 | K137 Y156 Y188 F189 | K137-V192 HydrophobicContact CB-CG2 4.28Å; K137-V192 HydrophobicContact CD-CB 4.4Å; K137-V192 HydrophobicContact CD-CG1 3.88Å; K137-V192 HydrophobicContact CD-CG2 4.1Å; K137-V192 HydrophobicContact CG-CG1 3.94Å; K137-V192 HydrophobicContact CG-CG2 4.32Å; K137-V192 PolarHBondContact NZ-O 2.94Å; Y156-V192 HydrophobicContact CE1-CG1 4.34Å; Y188-V192 HydrophobicContact CD1-CB 4.5Å; Y188-V192 HydrophobicContact CD1-CG2 4.27Å; Y188-V192 HydrophobicContact CD2-CG2 4.17Å; Y188-V192 HydrophobicContact CE1-CB 4.12Å; Y188-V192 HydrophobicContact CE1-CG1 4.29Å; Y188-V192 HydrophobicContact CE1-CG2 3.81Å; Y188-V192 HydrophobicContact CE2-CG2 3.71Å; Y188-V192 HydrophobicContact CG-CG2 4.44Å; Y188-V192 WeakPolarHBondContact O-CB 3.44Å; Y188-V192 WeakPolarHBondContact O-CG2 3.24Å; Y188-V192 PolarHBondContact O-N 3.43Å; F189-V192 PolarHBondContact O-N 2.69Å |
| 193 | A | 81.5 | Confident | 72.4 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 3% | 0.025 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -108.4 | 9.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y156 F189 F245 K250 I251 | Y156-A193 HydrophobicContact CE2-CB 3.84Å; F189-A193 PolarHBondContact O-N 2.65Å; A193-F245 HydrophobicContact CB-CD1 4.33Å; A193-F245 HydrophobicContact CB-CE1 3.78Å; A193-K250 WeakPolarHBondContact O-CA 3.48Å; A193-I251 HydrophobicContact CB-CD1 4.4Å; A193-I251 HydrophobicContact CB-CG1 3.94Å; A193-I251 PolarHBondContact O-N 2.87Å |
| 194 | A | 73.2 | Confident | 70.5 | Confident | 34 Ų | 34 | 71.4 Ų | 71.4 | 28% | 0.281 | 40% | 0.401 | S | S | . | . | trans | -63.8 | 155.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A190 E210 | A190-A194 WeakPolarHBondContact O-CB 3.07Å; A194-E210 WeakPolarHBondContact CA-OE1 3.32Å; A194-E210 HydrophobicContact CB-CG 4.01Å; A194-E210 WeakPolarHBondContact CB-OE1 3.36Å | ||
| 195 | A | 65.6 | Low | 68.6 | Low | 57 Ų | 57 | 78.9 Ų | 78.9 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | trans | -76.1 | 124.2 | 165 | 0 | 0 | 0 | 0 | 0 | 110.2 | K197 E210 | A195-K197 PolarHBondContact O-N 3.04Å; A195-E210 PolarHBondContact N-OE1 3.16Å | ||
| 196 | S | 60.3 | Low | 67 | Low | 102 Ų | 102 | 87.2 Ų | 87.2 | 71% | 0.713 | 47% | 0.47 | S | S | * | . | trans | -54.5 | 110 | 171.9 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | K198 | S196-K198 PolarHBondContact O-N 3.01Š| ||
| 197 | K | 56.9 | Low | 65.7 | Low | 148 Ų | 148 | 87.9 Ų | 87.9 | 64% | 0.643 | 48% | 0.478 | S | S | * | . | trans | -53.8 | 136 | 176.3 | -69.1 | 178.1 | 174.3 | 176.3 | 0 | 109.4 | A195 | A195-K197 PolarHBondContact O-N 3.04Š| ||
| 198 | K | 54 | Low | 65.2 | Low | 175 Ų | 175 | 87.6 Ų | 87.6 | 76% | 0.761 | 48% | 0.475 | S | S | * | . | trans | -74 | 138 | 159.7 | -69.5 | -177.9 | 179.3 | 178.3 | 0 | 106.9 | S196 D200 | S196-K198 PolarHBondContact O-N 3.01Å; K198-D200 PolarHBondContact O-N 2.75Å | ||
| 199 | E | 53.3 | Low | 64.7 | Low | 200 Ų | 200 | 89 Ų | 89 | 94% | 0.935 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -1 | -173.7 | -60.5 | -179.9 | 128.5 | 0 | 0 | 113.5 | ||
| 200 | D | 51.5 | Low | 64.2 | Low | 154 Ų | 154 | 90 Ų | 90 | 82% | 0.824 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -4 | -169 | -59.3 | -59.8 | 0 | 0 | 0 | 115.9 | K198 | K198-D200 PolarHBondContact O-N 2.75Š|
| 201 | D | 47.7 | Very low | 64 | Low | 131 Ų | 131 | 92.1 Ų | 92.1 | 70% | 0.701 | 50% | 0.495 | S | S | * | . | trans | -100.5 | 107.8 | -170.4 | -132 | -35 | 0 | 0 | 0 | 112.5 | S203 | D201-S203 PolarHBondContact O-N 3.02Š| ||
| 202 | D | 51.3 | Low | 64.1 | Low | 153 Ų | 153 | 91.4 Ų | 91.4 | 82% | 0.818 | 49% | 0.489 | S | S | * | . | trans | -74.3 | 15.5 | -174.8 | -155.4 | 12.2 | 0 | 0 | 0 | 113.4 | S204 | D202-S204 PolarHBondContact O-N 2.64Š| ||
| 203 | S | 50.1 | Low | 64.1 | Low | 67 Ų | 67 | 91.4 Ų | 91.4 | 47% | 0.469 | 49% | 0.488 | S | S | . | . | trans | -77.6 | 30.1 | -170.1 | 76.9 | 0 | 0 | 0 | 0 | 114.6 | D201 K205 K206 | D201-S203 PolarHBondContact O-N 3.02Å; S203-K205 PolarHBondContact O-N 2.63Å; S203-K206 PolarHBondContact O-N 3.37Å | ||
| 204 | S | 48.6 | Very low | 64.3 | Low | 108 Ų | 108 | 93.8 Ų | 93.8 | 76% | 0.755 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -15.5 | -168.5 | 55.6 | 0 | 0 | 0 | 0 | 116.8 | D202 | D202-S204 PolarHBondContact O-N 2.64Š|
| 205 | K | 49.4 | Very low | 64.9 | Low | 198 Ų | 198 | 95.4 Ų | 95.4 | 86% | 0.861 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -4.9 | 176.3 | -66.9 | -164 | 173.9 | -163.9 | 0 | 115.3 | S203 | S203-K205 PolarHBondContact O-N 2.63Š|
| 206 | K | 55.9 | Low | 66 | Low | 174 Ų | 174 | 92.7 Ų | 92.7 | 76% | 0.757 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -114.4 | 105.7 | 170 | -68.1 | -175.4 | 178.8 | -178.2 | 0 | 107.8 | S203 | S203-K206 PolarHBondContact O-N 3.37Š|
| 207 | G | 62.6 | Low | 67.3 | Low | 19 Ų | 19 | 88.1 Ų | 88.1 | 20% | 0.196 | 45% | 0.449 | C | S | . | . | trans | -56.9 | 152.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | D211 | G207-D211 WeakPolarHBondContact CA-OD2 3.07Š| ||
| 208 | T | 75.1 | Confident | 68.8 | Low | 41 Ų | 41 | 82.9 Ų | 82.9 | 25% | 0.252 | 43% | 0.43 | S | S | . | . | trans | -71 | 172.6 | 177.4 | 71.5 | 0 | 0 | 0 | 0 | 111.2 | E210 D211 Q212 | T208-E210 WeakPolarHBondContact CB-OE2 3.47Å; T208-E210 PolarHBondContact O-N 3.13Å; T208-E210 PolarHBondContact OG1-N 2.79Å; T208-E210 PolarHBondContact OG1-OE2 3.3Å; T208-D211 PolarHBondContact N-OD2 2.79Å; T208-D211 WeakPolarHBondContact O-CB 2.94Å; T208-D211 PolarHBondContact O-N 3.38Å; T208-D211 VanDerWaalsContact O-N 3.08Å; T208-D211 PolarHBondContact OG1-OD2 2.9Å; T208-Q212 WeakPolarHBondContact O-CG 3.42Å; T208-Q212 PolarHBondContact O-N 2.71Å | ||
| 209 | L | 80.1 | Confident | 70.6 | Confident | 28 Ų | 28 | 74.5 Ų | 74.5 | 15% | 0.147 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -55.5 | -39 | 175.4 | 179.3 | 65 | 0 | 0 | 0 | 111.1 | Q212 I213 I251 T442 | L209-Q212 PolarHBondContact O-N 3.25Å; L209-I213 HydrophobicContact CD1-CD1 4.41Å; L209-I213 HydrophobicContact CG-CD1 4.1Å; L209-I213 WeakPolarHBondContact O-CG1 3.32Å; L209-I213 PolarHBondContact O-N 3.24Å; L209-I251 HydrophobicContact CD2-CG2 3.75Å; L209-I251 HydrophobicContact CG-CG2 4.38Å; L209-T442 HydrophobicContact CD1-CG2 4Å; L209-T442 HydrophobicContact CD2-CG2 3.96Å |
| 210 | E | 79.6 | Confident | 72.4 | Confident | 21 Ų | 21 | 65 Ų | 65 | 10% | 0.098 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 175.8 | -55.2 | 89.8 | 162.5 | 0 | 0 | 111.8 | A190 A194 A195 T208 Q212 I213 V214 I251 | A190-E210 HydrophobicContact CB-CB 3.97Å; A194-E210 WeakPolarHBondContact CA-OE1 3.32Å; A194-E210 HydrophobicContact CB-CG 4.01Å; A194-E210 WeakPolarHBondContact CB-OE1 3.36Å; A195-E210 PolarHBondContact N-OE1 3.16Å; T208-E210 WeakPolarHBondContact CB-OE2 3.47Å; T208-E210 PolarHBondContact O-N 3.13Å; T208-E210 PolarHBondContact OG1-N 2.79Å; T208-E210 PolarHBondContact OG1-OE2 3.3Å; E210-Q212 VanDerWaalsContact C-N 3.35Å; E210-Q212 PolarHBondContact O-N 2.92Å; E210-I213 PolarHBondContact O-N 2.68Å; E210-V214 WeakPolarHBondContact O-CG2 2.87Å; E210-V214 PolarHBondContact O-N 2.87Å; E210-I251 HydrophobicContact CG-CD1 4.25Å |
| 211 | D | 78.9 | Confident | 74.2 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 173.4 | -60.4 | -43.4 | 0 | 0 | 0 | 111 | G207 T208 V214 Q215 | G207-D211 WeakPolarHBondContact CA-OD2 3.07Å; T208-D211 PolarHBondContact N-OD2 2.79Å; T208-D211 WeakPolarHBondContact O-CB 2.94Å; T208-D211 PolarHBondContact O-N 3.38Å; T208-D211 VanDerWaalsContact O-N 3.08Å; T208-D211 PolarHBondContact OG1-OD2 2.9Å; D211-V214 PolarHBondContact O-N 3.02Å; D211-Q215 WeakPolarHBondContact O-CB 3.08Å; D211-Q215 VanDerWaalsContact O-CG 3.31Å; D211-Q215 WeakPolarHBondContact O-CG 3.28Å; D211-Q215 PolarHBondContact O-N 3.46Å |
| 212 | Q | 85.8 | Confident | 76.4 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.9 | -39.7 | -179.5 | -72.6 | 177.6 | -27.2 | 0 | 0 | 113 | T208 L209 E210 V214 Q215 A216 V331 L332 L440 | T208-Q212 WeakPolarHBondContact O-CG 3.42Å; T208-Q212 PolarHBondContact O-N 2.71Å; L209-Q212 PolarHBondContact O-N 3.25Å; E210-Q212 VanDerWaalsContact C-N 3.35Å; E210-Q212 PolarHBondContact O-N 2.92Å; Q212-V214 VanDerWaalsContact C-N 3.28Å; Q212-V214 PolarHBondContact O-N 3.3Å; Q212-Q215 PolarHBondContact O-N 2.68Å; Q212-A216 PolarHBondContact O-N 3.29Å; Q212-V331 HydrophobicContact CG-CG1 4.07Å; Q212-V331 PolarHBondContact NE2-O 2.68Å; Q212-L332 HydrophobicContact CB-CD2 4.38Å; Q212-L332 WeakPolarHBondContact O-CD2 3.49Å; Q212-L440 HydrophobicContact CB-CD2 3.85Å |
| 213 | I | 85.5 | Confident | 78.4 | Confident | 7 Ų | 7 | 44.9 Ų | 44.9 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.7 | -35.9 | 175.1 | -64 | 164.1 | 0 | 0 | 0 | 110.6 | I186 L209 E210 I251 A254 L440 | I186-I213 HydrophobicContact CG2-CG2 3.67Å; L209-I213 HydrophobicContact CD1-CD1 4.41Å; L209-I213 HydrophobicContact CG-CD1 4.1Å; L209-I213 WeakPolarHBondContact O-CG1 3.32Å; L209-I213 PolarHBondContact O-N 3.24Å; E210-I213 PolarHBondContact O-N 2.68Å; I213-I251 HydrophobicContact CD1-CG2 3.98Å; I213-A254 HydrophobicContact CD1-CB 3.79Å; I213-A254 HydrophobicContact CG1-CB 3.77Å; I213-L440 HydrophobicContact CG1-CD2 3.83Å |
| 214 | V | 84.3 | Confident | 80.3 | Confident | 53 Ų | 53 | 41.7 Ų | 41.7 | 32% | 0.321 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69.4 | -50.7 | 174.5 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | I186 A190 E210 D211 Q212 A216 N217 | I186-V214 HydrophobicContact CG2-CG2 4.01Å; A190-V214 HydrophobicContact CB-CG2 4.47Å; E210-V214 WeakPolarHBondContact O-CG2 2.87Å; E210-V214 PolarHBondContact O-N 2.87Å; D211-V214 PolarHBondContact O-N 3.02Å; Q212-V214 VanDerWaalsContact C-N 3.28Å; Q212-V214 PolarHBondContact O-N 3.3Å; V214-A216 PolarHBondContact O-N 2.69Å; V214-N217 PolarHBondContact O-N 2.87Å; V214-N217 VanDerWaalsContact O-N 3.08Å; V214-N217 PolarHBondContact O-ND2 2.67Å |
| 215 | Q | 86.1 | Confident | 82.3 | Confident | 67 Ų | 67 | 36.6 Ų | 36.6 | 31% | 0.313 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -69.2 | -12.7 | -177.4 | -64.4 | -63.7 | 2.3 | 0 | 0 | 114.4 | D211 Q212 N217 P218 A328 V331 | D211-Q215 WeakPolarHBondContact O-CB 3.08Å; D211-Q215 VanDerWaalsContact O-CG 3.31Å; D211-Q215 WeakPolarHBondContact O-CG 3.28Å; D211-Q215 PolarHBondContact O-N 3.46Å; Q212-Q215 PolarHBondContact O-N 2.68Å; Q215-N217 PolarHBondContact O-N 2.8Å; Q215-P218 WeakPolarHBondContact O-CD 2.85Å; Q215-A328 HydrophobicContact CB-CB 4.18Å; Q215-V331 HydrophobicContact CB-CB 4.46Å; Q215-V331 HydrophobicContact CB-CG1 4.3Å; Q215-V331 HydrophobicContact CG-CB 4.26Å; Q215-V331 HydrophobicContact CG-CG1 4Å |
| 216 | A | 89.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.4 | -28.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q212 V214 L220 I256 L332 V436 L440 | Q212-A216 PolarHBondContact O-N 3.29Å; V214-A216 PolarHBondContact O-N 2.69Å; A216-L220 WeakPolarHBondContact O-CB 3.21Å; A216-L220 VanDerWaalsContact O-CG 3.26Å; A216-L220 WeakPolarHBondContact O-CG 3.39Å; A216-L220 PolarHBondContact O-N 2.68Å; A216-I256 HydrophobicContact CB-CD1 4.14Å; A216-L332 HydrophobicContact CB-CD2 4.36Å; A216-V436 HydrophobicContact CB-CG1 3.9Å; A216-L440 HydrophobicContact CB-CD1 4.5Å |
| 217 | N | 86.6 | Confident | 85.7 | Confident | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.032 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.3 | -49.4 | -175.3 | -72.6 | -82.7 | 0 | 0 | 0 | 114 | V214 Q215 V219 L220 E221 K239 | V214-N217 PolarHBondContact O-N 2.87Å; V214-N217 VanDerWaalsContact O-N 3.08Å; V214-N217 PolarHBondContact O-ND2 2.67Å; Q215-N217 PolarHBondContact O-N 2.8Å; N217-V219 VanDerWaalsContact C-N 3.31Å; N217-V219 PolarHBondContact O-N 2.72Å; N217-L220 PolarHBondContact O-N 2.83Å; N217-L220 VanDerWaalsContact O-N 3.15Å; N217-E221 WeakPolarHBondContact O-CB 3.38Å; N217-E221 WeakPolarHBondContact O-CG 2.84Å; N217-E221 PolarHBondContact O-N 3.27Å; N217-K239 PolarHBondContact OD1-NZ 3.26Å |
| 218 | P | 88.7 | Confident | 86.6 | Confident | 38 Ų | 38 | 18.3 Ų | 18.3 | 25% | 0.247 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -50.1 | -46.1 | 175 | -31.4 | 35.5 | 0 | 0 | 0 | 114.3 | Q215 E221 A222 A328 | Q215-P218 WeakPolarHBondContact O-CD 2.85Å; P218-E221 PolarHBondContact O-N 2.64Å; P218-A222 WeakPolarHBondContact O-CB 3.34Å; P218-A222 PolarHBondContact O-N 2.73Å; P218-A328 HydrophobicContact CB-CB 4.14Å |
| 219 | V | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.6 | -41.6 | 178.9 | 172.3 | 0 | 0 | 0 | 0 | 112.1 | N217 Y223 A328 F329 L332 L432 | N217-V219 VanDerWaalsContact C-N 3.31Å; N217-V219 PolarHBondContact O-N 2.72Å; V219-Y223 PolarHBondContact O-N 3.47Å; V219-A328 HydrophobicContact CG2-CB 3.82Å; V219-F329 HydrophobicContact CG1-CD1 4.32Å; V219-F329 HydrophobicContact CG1-CE1 3.63Å; V219-F329 HydrophobicContact CG1-CE2 4.37Å; V219-F329 HydrophobicContact CG1-CZ 3.66Å; V219-F329 HydrophobicContact CG2-CD1 4.17Å; V219-F329 HydrophobicContact CG2-CD2 4.18Å; V219-F329 HydrophobicContact CG2-CE1 4.22Å; V219-F329 HydrophobicContact CG2-CE2 4.21Å; V219-F329 HydrophobicContact CG2-CG 4.15Å; V219-F329 HydrophobicContact CG2-CZ 4.24Å; V219-L332 HydrophobicContact CB-CD1 4.27Å; V219-L332 HydrophobicContact CG2-CD1 3.83Å; V219-L432 HydrophobicContact CG1-CD1 3.83Å; V219-L432 HydrophobicContact CG1-CD2 4.04Å; V219-L432 HydrophobicContact CG1-CG 4.22Å |
| 220 | L | 91.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -73.4 | -29.8 | 177.6 | -69 | 176.2 | 0 | 0 | 0 | 113.2 | A216 N217 G224 F237 I256 F429 V433 | A216-L220 WeakPolarHBondContact O-CB 3.21Å; A216-L220 VanDerWaalsContact O-CG 3.26Å; A216-L220 WeakPolarHBondContact O-CG 3.39Å; A216-L220 PolarHBondContact O-N 2.68Å; N217-L220 PolarHBondContact O-N 2.83Å; N217-L220 VanDerWaalsContact O-N 3.15Å; L220-G224 VanDerWaalsContact O-CA 3.24Å; L220-G224 WeakPolarHBondContact O-CA 3.19Å; L220-G224 PolarHBondContact O-N 2.78Å; L220-F237 HydrophobicContact CB-CZ 4.18Å; L220-I256 HydrophobicContact CD1-CD1 3.62Å; L220-I256 HydrophobicContact CD1-CG2 4.26Å; L220-F429 HydrophobicContact CD2-CE2 4.27Å; L220-F429 HydrophobicContact CD2-CZ 4.42Å; L220-V433 HydrophobicContact CD2-CG2 3.7Å |
| 221 | E | 89.7 | Confident | 86.3 | Confident | 15 Ų | 15 | 22.3 Ų | 22.3 | 7% | 0.07 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -78.8 | -34.9 | 177.5 | -70.8 | 176.6 | -153.6 | 0 | 0 | 111.3 | T179 K183 N217 P218 Y223 N225 K239 | T179-E221 WeakPolarHBondContact CG2-OE1 3.09Å; K183-E221 VanDerWaalsContact CE-CD 3.49Å; K183-E221 WeakPolarHBondContact CE-OE1 3.32Å; K183-E221 WeakPolarHBondContact CE-OE2 2.98Å; K183-E221 IonicContact NZ-OE1 3.94Å; K183-E221 PolarHBondContact NZ-OE1 3.12Å; K183-E221 IonicContact NZ-OE2 2.75Å; K183-E221 PolarHBondContact NZ-OE2 3.05Å; N217-E221 WeakPolarHBondContact O-CB 3.38Å; N217-E221 WeakPolarHBondContact O-CG 2.84Å; N217-E221 PolarHBondContact O-N 3.27Å; P218-E221 PolarHBondContact O-N 2.64Å; E221-Y223 PolarHBondContact O-N 2.63Å; E221-N225 VanDerWaalsContact O-CB 3.23Å; E221-N225 WeakPolarHBondContact O-CB 3.43Å; E221-N225 PolarHBondContact O-N 3.47Å; E221-K239 IonicContact OE1-NZ 3.27Å; E221-K239 PolarHBondContact OE1-NZ 3.47Å |
| 222 | A | 92.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -55.9 | -50.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P218 H277 I278 | P218-A222 WeakPolarHBondContact O-CB 3.34Å; P218-A222 PolarHBondContact O-N 2.73Å; A222-H277 PolarHBondContact O-N 3.49Å; A222-I278 HydrophobicContact CB-CB 4.29Å; A222-I278 HydrophobicContact CB-CD1 4.36Å; A222-I278 WeakPolarHBondContact O-CB 3.22Å; A222-I278 WeakPolarHBondContact O-CG2 3.42Å; A222-I278 PolarHBondContact O-N 2.8Å |
| 223 | Y | 94.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -86.7 | -20.2 | -177.6 | -83 | -94 | 0 | 0 | 0 | 114.7 | V219 E221 Y276 I278 F329 T346 Y425 M428 L432 | V219-Y223 PolarHBondContact O-N 3.47Å; E221-Y223 PolarHBondContact O-N 2.63Å; Y223-Y276 WeakPolarHBondContact O-CD1 3.06Å; Y223-I278 HydrophobicContact CD1-CG2 4Å; Y223-I278 HydrophobicContact CD2-CB 4.28Å; Y223-I278 HydrophobicContact CD2-CD1 4.34Å; Y223-I278 HydrophobicContact CD2-CG1 4.07Å; Y223-I278 HydrophobicContact CE1-CG1 4.15Å; Y223-I278 HydrophobicContact CE1-CG2 4.22Å; Y223-I278 HydrophobicContact CE2-CB 4.36Å; Y223-I278 HydrophobicContact CE2-CD1 3.78Å; Y223-I278 HydrophobicContact CE2-CG1 3.64Å; Y223-I278 HydrophobicContact CG-CB 4.4Å; Y223-I278 HydrophobicContact CG-CG1 4.49Å; Y223-I278 HydrophobicContact CG-CG2 4.17Å; Y223-F329 HydrophobicContact CE2-CZ 4.08Å; Y223-T346 WeakPolarHBondContact CE1-OG1 3.16Å; Y223-T346 PolarHBondContact OH-OG1 3.24Å; Y223-T346 VanDerWaalsContact OH-OG1 3.11Å; Y223-Y425 WeakPolarHBondContact CA-OH 3.21Å; Y223-Y425 HydrophobicContact CD1-CE2 4.34Å; Y223-Y425 WeakPolarHBondContact O-CE1 3.35Å; Y223-Y425 PolarHBondContact O-OH 3.4Å; Y223-M428 HydrophobicContact CD1-CE 4.22Å; Y223-M428 HydrophobicContact CE1-CE 3.69Å; Y223-M428 HydrophobicContact CE1-CG 4.47Å; Y223-M428 HydrophobicContact CE1-SD 3.84Å; Y223-L432 HydrophobicContact CD1-CD2 4.34Å; Y223-L432 HydrophobicContact CD2-CD2 3.73Å; Y223-L432 HydrophobicContact CE2-CD2 4.37Å; Y223-L432 HydrophobicContact CG-CD2 3.72Å |
| 224 | G | 90.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -111.9 | -13.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L220 R236 F237 Y276 | L220-G224 VanDerWaalsContact O-CA 3.24Å; L220-G224 WeakPolarHBondContact O-CA 3.19Å; L220-G224 PolarHBondContact O-N 2.78Å; G224-R236 PolarHBondContact O-N 2.64Å; G224-F237 WeakPolarHBondContact O-CD1 3.41Å; G224-Y276 WeakPolarHBondContact O-CE1 3Å |
| 225 | N | 90.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 153.6 | -177.6 | -61.5 | 23.5 | 0 | 0 | 0 | 112.7 | E221 N233 S234 S235 Y276 H277 | E221-N225 VanDerWaalsContact O-CB 3.23Å; E221-N225 WeakPolarHBondContact O-CB 3.43Å; E221-N225 PolarHBondContact O-N 3.47Å; N225-N233 WeakPolarHBondContact CB-OD1 3.47Å; N225-N233 PolarHBondContact ND2-OD1 2.69Å; N225-S234 VanDerWaalsContact CA-O 3.26Å; N225-S234 WeakPolarHBondContact CA-O 2.85Å; N225-S235 PolarHBondContact ND2-OG 3.41Å; N225-S235 WeakPolarHBondContact OD1-CA 3.33Å; N225-S235 PolarHBondContact OD1-OG 2.78Å; N225-Y276 WeakPolarHBondContact O-CA 3.42Å; N225-H277 WeakPolarHBondContact CB-NE2 3.24Å; N225-H277 PolarHBondContact O-CD2 3.46Å; N225-H277 PolarHBondContact O-N 3.11Å |
| 226 | A | 89.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 163.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S234 R236 R265 N275 | A226-S234 PolarHBondContact N-O 2.65Å; A226-S234 WeakPolarHBondContact O-CA 3.1Å; A226-S234 WeakPolarHBondContact O-CB 3.21Å; A226-S234 PolarHBondContact O-N 2.74Å; A226-R236 HydrophobicContact CB-CG 3.97Å; A226-R265 VanDerWaalsContact CB-CD 3.45Å; A226-N275 WeakPolarHBondContact CB-O 3.28Å |
| 227 | K | 87 | Confident | 85.9 | Confident | 8 Ų | 8 | 16.6 Ų | 16.6 | 4% | 0.035 | 9% | 0.088 | C | C | . | . | trans | -78.7 | 123.6 | 168.8 | 161 | 176.7 | 168.4 | 176.2 | 0 | 109.1 | N231 N232 E273 R274 H277 E310 T312 I313 D314 | K227-N231 CarbonylContact C-O 3.46Å; K227-N231 WeakPolarHBondContact CA-O 2.97Å; K227-N232 WeakPolarHBondContact CA-O 3.1Å; K227-N232 WeakPolarHBondContact CB-O 3.45Å; K227-E273 CarbonylContact O-C 3.58Å; K227-E273 VanDerWaalsContact O-CA 3.26Å; K227-E273 WeakPolarHBondContact O-CA 2.98Å; K227-E273 WeakPolarHBondContact O-CB 3.21Å; K227-R274 HydrophobicContact CB-CB 3.7Å; K227-R274 HydrophobicContact CG-CB 4.43Å; K227-R274 PolarHBondContact O-N 2.75Å; K227-H277 PolarHBondContact N-CE1 2.76Å; K227-E310 IonicContact NZ-OE1 2.61Å; K227-E310 PolarHBondContact NZ-OE1 3.4Å; K227-T312 PolarHBondContact NZ-O 3.39Å; K227-I313 HydrophobicContact CB-CD1 4.33Å; K227-I313 HydrophobicContact CB-CG1 4.32Å; K227-I313 HydrophobicContact CD-CG1 4.11Å; K227-D314 IonicContact NZ-OD2 2.63Å | ||
| 228 | T | 81.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -101.8 | 171.1 | 162.8 | 69.1 | 0 | 0 | 0 | 0 | 109.3 | R230 N231 E273 | T228-R230 VanDerWaalsContact C-N 3.29Å; T228-R230 PolarHBondContact O-N 2.73Å; T228-N231 PolarHBondContact N-O 3.4Å; T228-N231 PolarHBondContact O-N 2.65Å; T228-N231 PolarHBondContact OG1-N 2.71Å; T228-N231 VanDerWaalsContact OG1-N 3.12Å; T228-E273 WeakPolarHBondContact CA-OE1 3.3Å; T228-E273 WeakPolarHBondContact CB-OE1 3.35Å; T228-E273 WeakPolarHBondContact CG2-OE1 3.36Å | ||
| 229 | T | 78.6 | Confident | 85.4 | Confident | 67 Ų | 67 | 14.8 Ų | 14.8 | 41% | 0.411 | 8% | 0.077 | S | C | . | . | S | Bend | trans | -53.5 | -46.5 | 173.6 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | E273 F461 K666 | T229-E273 HydrophobicContact CG2-CG 4.3Å; T229-F461 WeakPolarHBondContact OG1-CE1 3.49Å; T229-K666 WeakPolarHBondContact O-CE 2.98Å; T229-K666 PolarHBondContact O-NZ 2.76Å |
| 230 | R | 73.5 | Confident | 85.3 | Confident | 70 Ų | 70 | 14.8 Ų | 14.8 | 26% | 0.264 | 8% | 0.077 | S | C | . | . | S | Bend | trans | -79 | -23.9 | -179.8 | -63.2 | -168.6 | -172.8 | -142.5 | -1.5 | 114.9 | E173 T228 I460 K666 | E173-R230 IonicContact OE2-NH1 2.75Å; E173-R230 PolarHBondContact OE2-NH1 3.25Å; E173-R230 VanDerWaalsContact OE2-NH1 3.15Å; T228-R230 VanDerWaalsContact C-N 3.29Å; T228-R230 PolarHBondContact O-N 2.73Å; R230-I460 PolarHBondContact NH2-O 2.68Å; R230-K666 WeakPolarHBondContact O-CE 3.48Å |
| 231 | N | 77.6 | Confident | 85.3 | Confident | 36 Ų | 36 | 14.9 Ų | 14.9 | 19% | 0.193 | 8% | 0.078 | C | C | . | . | trans | -144.4 | 125.2 | -173.4 | -177.8 | 13.6 | 0 | 0 | 0 | 113.6 | K227 T228 N233 S234 | K227-N231 CarbonylContact C-O 3.46Å; K227-N231 WeakPolarHBondContact CA-O 2.97Å; T228-N231 PolarHBondContact N-O 3.4Å; T228-N231 PolarHBondContact O-N 2.65Å; T228-N231 PolarHBondContact OG1-N 2.71Å; T228-N231 VanDerWaalsContact OG1-N 3.12Å; N231-N233 VanDerWaalsContact C-N 3.35Å; N231-N233 PolarHBondContact ND2-O 3.2Å; N231-N233 PolarHBondContact O-N 2.74Å; N231-N233 PolarHBondContact OD1-N 3.37Å; N231-N233 VanDerWaalsContact OD1-N 3.14Å; N231-N233 PolarHBondContact OD1-O 3.5Å; N231-S234 WeakPolarHBondContact ND2-CA 3.48Å; N231-S234 VanDerWaalsContact ND2-CB 3.29Å; N231-S234 WeakPolarHBondContact ND2-CB 3.4Å; N231-S234 PolarHBondContact ND2-N 3.38Å; N231-S234 PolarHBondContact ND2-OG 2.75Å | ||
| 232 | N | 82.6 | Confident | 85.3 | Confident | 31 Ų | 31 | 16 Ų | 16 | 17% | 0.166 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -71.1 | -26.1 | -178.3 | -73.1 | 25.7 | 0 | 0 | 0 | 113.6 | K227 H277 I313 K666 | K227-N232 WeakPolarHBondContact CA-O 3.1Å; K227-N232 WeakPolarHBondContact CB-O 3.45Å; N232-H277 PolarHBondContact O-CE1 2.76Å; N232-I313 HydrophobicContact CB-CG2 3.9Å; N232-K666 PolarHBondContact OD1-NZ 2.63Å |
| 233 | N | 82.3 | Confident | 85.3 | Confident | 60 Ų | 60 | 16 Ų | 16 | 32% | 0.321 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -133 | 83.9 | 175.2 | -176.2 | 10.9 | 0 | 0 | 0 | 109.2 | N225 N231 H277 | N225-N233 WeakPolarHBondContact CB-OD1 3.47Å; N225-N233 PolarHBondContact ND2-OD1 2.69Å; N231-N233 VanDerWaalsContact C-N 3.35Å; N231-N233 PolarHBondContact ND2-O 3.2Å; N231-N233 PolarHBondContact O-N 2.74Å; N231-N233 PolarHBondContact OD1-N 3.37Å; N231-N233 VanDerWaalsContact OD1-N 3.14Å; N231-N233 PolarHBondContact OD1-O 3.5Å; N233-H277 WeakPolarHBondContact CA-NE2 2.94Å; N233-H277 WeakPolarHBondContact CB-NE2 3.35Å; N233-H277 PolarHBondContact OD1-NE2 2.91Å |
| 234 | S | 81.2 | Confident | 85.1 | Confident | 5 Ų | 5 | 16.9 Ų | 16.9 | 4% | 0.035 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 118.7 | -174 | -139.1 | 0 | 0 | 0 | 0 | 112.2 | S174 N225 A226 N231 R236 | S174-S234 PolarHBondContact OG-OG 3Å; N225-S234 VanDerWaalsContact CA-O 3.26Å; N225-S234 WeakPolarHBondContact CA-O 2.85Å; A226-S234 PolarHBondContact N-O 2.65Å; A226-S234 WeakPolarHBondContact O-CA 3.1Å; A226-S234 WeakPolarHBondContact O-CB 3.21Å; A226-S234 PolarHBondContact O-N 2.74Å; N231-S234 WeakPolarHBondContact ND2-CA 3.48Å; N231-S234 VanDerWaalsContact ND2-CB 3.29Å; N231-S234 WeakPolarHBondContact ND2-CB 3.4Å; N231-S234 PolarHBondContact ND2-N 3.38Å; N231-S234 PolarHBondContact ND2-OG 2.75Å; S234-R236 PolarHBondContact O-N 2.68Å |
| 235 | S | 84.2 | Confident | 85.2 | Confident | 8 Ų | 8 | 16.9 Ų | 16.9 | 6% | 0.056 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 112.6 | 172.7 | -46 | 0 | 0 | 0 | 0 | 110.1 | T179 N225 F237 | T179-S235 PolarHBondContact OG1-OG 3.33Å; N225-S235 PolarHBondContact ND2-OG 3.41Å; N225-S235 WeakPolarHBondContact OD1-CA 3.33Å; N225-S235 PolarHBondContact OD1-OG 2.78Å; S235-F237 PolarHBondContact O-N 2.75Å |
| 236 | R | 85.4 | Confident | 84.9 | Confident | 3 Ų | 3 | 17.2 Ų | 17.2 | 1% | 0.011 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -94.4 | 30.1 | 176.1 | -50 | -52 | -62.1 | 166.2 | -7 | 111.7 | G224 A226 S234 L261 E262 Y276 E459 | G224-R236 PolarHBondContact O-N 2.64Å; A226-R236 HydrophobicContact CB-CG 3.97Å; S234-R236 PolarHBondContact O-N 2.68Å; R236-L261 WeakPolarHBondContact O-CA 3.36Å; R236-E262 HydrophobicContact CB-CB 4.01Å; R236-E262 IonicContact CZ-OE1 3.18Å; R236-E262 IonicContact CZ-OE2 2.65Å; R236-E262 IonicContact NE-OE1 2.75Å; R236-E262 IonicContact NE-OE2 2.67Å; R236-E262 PolarHBondContact NE-OE2 2.78Å; R236-E262 IonicContact NH2-OE1 3.64Å; R236-E262 PolarHBondContact NH2-OE1 3.47Å; R236-E262 IonicContact NH2-OE2 3.77Å; R236-E262 PolarHBondContact NH2-OE2 3.47Å; R236-E262 PolarHBondContact O-N 3.41Å; R236-Y276 HydrophobicContact CB-CE1 3.88Å; R236-Y276 HydrophobicContact CG-CE1 4.28Å; R236-E459 IonicContact CZ-OE1 3.65Å; R236-E459 IonicContact CZ-OE2 3.1Å; R236-E459 VanDerWaalsContact CZ-OE2 3.27Å; R236-E459 IonicContact NH1-OE1 3.1Å; R236-E459 PolarHBondContact NH1-OE1 2.83Å; R236-E459 IonicContact NH1-OE2 3.52Å; R236-E459 PolarHBondContact NH1-OE2 3.17Å; R236-E459 IonicContact NH2-OE2 2.71Å; R236-E459 PolarHBondContact NH2-OE2 2.73Å |
| 237 | F | 84.1 | Confident | 84.6 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 0% | 0.004 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -155 | 155.6 | 175.1 | 75.1 | -66.5 | 0 | 0 | 0 | 108.8 | L220 G224 S235 K239 H258 Y259 L260 L261 F429 | L220-F237 HydrophobicContact CB-CZ 4.18Å; G224-F237 WeakPolarHBondContact O-CD1 3.41Å; S235-F237 PolarHBondContact O-N 2.75Å; F237-K239 HydrophobicContact CD2-CB 4.34Å; F237-K239 HydrophobicContact CE2-CB 3.75Å; F237-K239 HydrophobicContact CE2-CD 4.14Å; F237-K239 HydrophobicContact CE2-CG 4.32Å; F237-K239 HydrophobicContact CZ-CB 4.43Å; F237-K239 HydrophobicContact CZ-CD 3.96Å; F237-H258 HydrophobicContact CD2-CB 4.2Å; F237-Y259 WeakPolarHBondContact CA-O 3.38Å; F237-L260 WeakPolarHBondContact CA-O 3.26Å; F237-L261 HydrophobicContact CB-CD1 4.1Å; F237-F429 HydrophobicContact CB-CE1 4.34Å; F237-F429 HydrophobicContact CD1-CZ 4.14Å; F237-F429 AromaticContact CD2-CE1 3.77Å; F237-F429 HydrophobicContact CD2-CE1 3.77Å; F237-F429 AromaticContact CD2-CZ 3.58Å; F237-F429 HydrophobicContact CD2-CZ 3.58Å; F237-F429 HydrophobicContact CE1-CZ 4.2Å; F237-F429 HydrophobicContact CE2-CE1 4.21Å; F237-F429 AromaticContact CE2-CZ 3.62Å; F237-F429 HydrophobicContact CE2-CZ 3.62Å; F237-F429 HydrophobicContact CG-CE1 4.06Å; F237-F429 AromaticContact CG-CZ 3.84Å; F237-F429 HydrophobicContact CG-CZ 3.84Å; F237-F429 AromaticContact CZ-CZ 3.95Å; F237-F429 HydrophobicContact CZ-CZ 3.95Å |
| 238 | G | 80.1 | Confident | 84.4 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 141.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | H258 Y259 | G238-H258 CarbonylContact O-C 3.55Å; G238-H258 VanDerWaalsContact O-CA 3.3Å; G238-H258 WeakPolarHBondContact O-CA 2.87Å; G238-Y259 PolarHBondContact N-O 2.79Å; G238-Y259 PolarHBondContact O-N 2.71Å |
| 239 | K | 86.1 | Confident | 84.6 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.8 | 172.5 | 58.3 | -171.8 | 176.5 | 179.4 | 0 | 110.9 | N217 E221 F237 I241 I256 D454 | N217-K239 PolarHBondContact OD1-NZ 3.26Å; E221-K239 IonicContact OE1-NZ 3.27Å; E221-K239 PolarHBondContact OE1-NZ 3.47Å; F237-K239 HydrophobicContact CD2-CB 4.34Å; F237-K239 HydrophobicContact CE2-CB 3.75Å; F237-K239 HydrophobicContact CE2-CD 4.14Å; F237-K239 HydrophobicContact CE2-CG 4.32Å; F237-K239 HydrophobicContact CZ-CB 4.43Å; F237-K239 HydrophobicContact CZ-CD 3.96Å; K239-I241 HydrophobicContact CD-CD1 4.23Å; K239-I241 HydrophobicContact CG-CD1 4.41Å; K239-I256 HydrophobicContact CB-CG2 4.22Å; K239-D454 WeakPolarHBondContact CE-OD2 3.11Å; K239-D454 HydrophobicContact CG-CB 3.89Å; K239-D454 PolarHBondContact N-O 3.38Å; K239-D454 IonicContact NZ-OD2 3.58Å; K239-D454 PolarHBondContact O-N 2.72Å; K239-D454 VanDerWaalsContact O-O 3.13Å |
| 240 | F | 89 | Confident | 84.9 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 109.3 | 169.7 | -175.1 | -122.2 | 0 | 0 | 0 | 108.4 | R242 I256 E257 Y259 F449 V452 L453 L645 N648 L649 | F240-R242 HydrophobicContact CD1-CG 4.05Å; F240-R242 HydrophobicContact CE1-CG 3.65Å; F240-R242 HydrophobicContact CZ-CG 4.26Å; F240-I256 WeakPolarHBondContact O-CA 3.43Å; F240-E257 PolarHBondContact N-O 2.73Å; F240-E257 PolarHBondContact O-N 3.24Å; F240-Y259 HydrophobicContact CB-CE2 3.92Å; F240-F449 HydrophobicContact CZ-CE2 4.48Å; F240-V452 WeakPolarHBondContact CA-O 3.13Å; F240-L453 HydrophobicContact CB-CD1 4.23Å; F240-L453 HydrophobicContact CD2-CB 4.02Å; F240-L453 HydrophobicContact CD2-CD1 4.23Å; F240-L645 HydrophobicContact CB-CD1 4.12Å; F240-L645 HydrophobicContact CD1-CD1 4.26Å; F240-L645 HydrophobicContact CD2-CD1 4.18Å; F240-L645 HydrophobicContact CG-CD1 3.95Å; F240-N648 HydrophobicContact CE1-CB 4.29Å; F240-L649 HydrophobicContact CE2-CD2 3.82Å; F240-L649 HydrophobicContact CZ-CD2 4.24Å |
| 241 | I | 91 | Very high | 85.6 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 107.3 | -173.4 | -56.5 | 172.9 | 0 | 0 | 0 | 107.9 | T182 I186 K239 I243 D255 I256 G451 V452 | T182-I241 HydrophobicContact CG2-CD1 4.26Å; I186-I241 HydrophobicContact CD1-CD1 3.79Å; K239-I241 HydrophobicContact CD-CD1 4.23Å; K239-I241 HydrophobicContact CG-CD1 4.41Å; I241-I243 HydrophobicContact CG2-CG1 4.27Å; I241-D255 CarbonylContact C-O 3.59Å; I241-D255 WeakPolarHBondContact CA-O 3.44Å; I241-I256 HydrophobicContact CG1-CG1 4.21Å; I241-I256 HydrophobicContact CG1-CG2 4.24Å; I241-I256 HydrophobicContact CG2-CG1 4.36Å; I241-G451 WeakPolarHBondContact O-CA 3.31Å; I241-V452 PolarHBondContact N-O 2.87Å; I241-V452 PolarHBondContact O-N 3.37Å |
| 242 | R | 91.1 | Very high | 86 | Confident | 38 Ų | 38 | 23.8 Ų | 23.8 | 14% | 0.143 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 110.9 | 172.8 | -67.1 | -176.6 | -66.7 | -129.6 | -8.1 | 109.1 | F240 H244 A254 D255 E257 F449 | F240-R242 HydrophobicContact CD1-CG 4.05Å; F240-R242 HydrophobicContact CE1-CG 3.65Å; F240-R242 HydrophobicContact CZ-CG 4.26Å; R242-H244 PolarHBondContact O-CD2 2.7Å; R242-A254 CarbonylContact O-C 3.37Å; R242-A254 VanDerWaalsContact O-CA 3.25Å; R242-A254 WeakPolarHBondContact O-CA 3.03Å; R242-D255 IonicContact CZ-OD1 3.82Å; R242-D255 PolarHBondContact N-O 2.75Å; R242-D255 IonicContact NE-OD1 2.55Å; R242-D255 PolarHBondContact NE-OD1 2.67Å; R242-D255 IonicContact NE-OD2 3.27Å; R242-D255 IonicContact NH2-OD1 2.63Å; R242-D255 PolarHBondContact NH2-OD1 3.44Å; R242-D255 IonicContact NH2-OD2 3.41Å; R242-D255 PolarHBondContact O-N 2.75Å; R242-E257 IonicContact CZ-OE1 3.75Å; R242-E257 VanDerWaalsContact CZ-OE1 3.29Å; R242-E257 IonicContact NH1-OE1 3.48Å; R242-E257 PolarHBondContact NH1-OE1 2.63Å; R242-E257 IonicContact NH1-OE2 2.74Å; R242-E257 IonicContact NH2-OE1 2.72Å; R242-E257 PolarHBondContact NH2-OE1 2.66Å; R242-F449 HydrophobicContact CB-CB 4.39Å; R242-F449 HydrophobicContact CB-CD2 4.04Å; R242-F449 HydrophobicContact CB-CG 4.37Å; R242-F449 HydrophobicContact CG-CD2 3.67Å; R242-F449 HydrophobicContact CG-CE2 3.93Å; R242-F449 HydrophobicContact CG-CG 4.35Å |
| 243 | I | 91.7 | Very high | 86.3 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 118.6 | 169.3 | -59.7 | 169 | 0 | 0 | 0 | 106.7 | I186 F189 I241 F245 I251 F449 I450 | I186-I243 HydrophobicContact CG1-CD1 4.36Å; F189-I243 HydrophobicContact CD2-CD1 3.64Å; F189-I243 HydrophobicContact CE2-CD1 4.36Å; I241-I243 HydrophobicContact CG2-CG1 4.27Å; I243-F245 HydrophobicContact CB-CE2 4.06Å; I243-F245 HydrophobicContact CB-CZ 4.27Å; I243-F245 HydrophobicContact CG2-CD2 4.5Å; I243-F245 HydrophobicContact CG2-CE1 4.22Å; I243-F245 HydrophobicContact CG2-CE2 3.73Å; I243-F245 HydrophobicContact CG2-CZ 3.58Å; I243-F245 WeakPolarHBondContact O-CD2 3.24Å; I243-F245 VanDerWaalsContact O-CE2 3.25Å; I243-F245 WeakPolarHBondContact O-CE2 2.79Å; I243-I251 HydrophobicContact CG2-CD1 4.25Å; I243-I251 HydrophobicContact CG2-CG1 4.17Å; I243-I251 HydrophobicContact CG2-CG2 4.12Å; I243-F449 CarbonylContact O-C 3.43Å; I243-F449 WeakPolarHBondContact O-CA 3.49Å; I243-F449 WeakPolarHBondContact O-CB 3.16Å; I243-I450 PolarHBondContact N-O 2.67Å; I243-I450 PolarHBondContact O-N 3.26Å |
| 244 | H | 91.5 | Very high | 86.7 | Confident | 18 Ų | 18 | 19.5 Ų | 19.5 | 8% | 0.083 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 140.8 | -177.3 | -65.8 | -95.5 | 0 | 0 | 0 | 110.6 | R242 I251 A252 G253 D255 R446 F448 | R242-H244 PolarHBondContact O-CD2 2.7Å; H244-I251 WeakPolarHBondContact O-CA 3.08Å; H244-A252 PolarHBondContact O-N 3.49Å; H244-G253 PolarHBondContact N-O 2.69Å; H244-D255 IonicContact CD2-OD2 2.83Å; H244-D255 IonicContact CE1-OD2 3.66Å; H244-D255 IonicContact NE2-OD2 2.77Å; H244-D255 PolarHBondContact NE2-OD2 3.14Å; H244-R446 HydrophobicContact CB-CB 4.11Å; H244-R446 HydrophobicContact CB-CG 3.88Å; H244-R446 PolarHBondContact CD2-NH1 3.48Å; H244-R446 PolarHBondContact CE1-NH1 2.66Å; H244-R446 PolarHBondContact NE2-NH1 2.64Å; H244-F448 CarbonylContact C-O 3.52Å; H244-F448 WeakPolarHBondContact CA-O 2.99Å |
| 245 | F | 90.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 144 | -179.2 | -59.2 | -91.6 | 0 | 0 | 0 | 110.5 | Y156 M159 F189 A193 I243 G249 K250 I251 Q447 F448 I450 | Y156-F245 HydrophobicContact CD2-CE1 4.06Å; Y156-F245 HydrophobicContact CD2-CZ 4.39Å; Y156-F245 HydrophobicContact CE2-CD1 4.15Å; Y156-F245 AromaticContact CE2-CE1 3.97Å; Y156-F245 HydrophobicContact CE2-CE1 3.97Å; M159-F245 HydrophobicContact CE-CB 3.8Å; M159-F245 HydrophobicContact CE-CD1 4.11Å; M159-F245 HydrophobicContact CE-CD2 3.68Å; M159-F245 HydrophobicContact CE-CE2 4.24Å; M159-F245 HydrophobicContact CE-CG 3.59Å; M159-F245 HydrophobicContact SD-CB 4.15Å; M159-F245 HydrophobicContact SD-CD2 3.41Å; M159-F245 WeakPolarHBondContact SD-CD2 3.45Å; M159-F245 HydrophobicContact SD-CE2 3.99Å; M159-F245 HydrophobicContact SD-CG 3.93Å; F189-F245 HydrophobicContact CD1-CZ 4.46Å; F189-F245 HydrophobicContact CG-CZ 4.33Å; A193-F245 HydrophobicContact CB-CD1 4.33Å; A193-F245 HydrophobicContact CB-CE1 3.78Å; I243-F245 HydrophobicContact CB-CE2 4.06Å; I243-F245 HydrophobicContact CB-CZ 4.27Å; I243-F245 HydrophobicContact CG2-CD2 4.5Å; I243-F245 HydrophobicContact CG2-CE1 4.22Å; I243-F245 HydrophobicContact CG2-CE2 3.73Å; I243-F245 HydrophobicContact CG2-CZ 3.58Å; I243-F245 WeakPolarHBondContact O-CD2 3.24Å; I243-F245 VanDerWaalsContact O-CE2 3.25Å; I243-F245 WeakPolarHBondContact O-CE2 2.79Å; F245-G249 VanDerWaalsContact CD1-O 3.32Å; F245-G249 WeakPolarHBondContact CD1-O 3.11Å; F245-K250 WeakPolarHBondContact CA-O 3.34Å; F245-I251 HydrophobicContact CD1-CG1 4.13Å; F245-I251 HydrophobicContact CE1-CG1 3.75Å; F245-Q447 PolarHBondContact O-N 2.72Å; F245-Q447 VanDerWaalsContact O-N 3.12Å; F245-F448 PolarHBondContact N-O 2.76Å; F245-F448 PolarHBondContact O-N 2.77Å; F245-I450 HydrophobicContact CD2-CG1 4.35Å; F245-I450 HydrophobicContact CE2-CB 4.02Å; F245-I450 HydrophobicContact CE2-CD1 3.75Å; F245-I450 HydrophobicContact CE2-CG1 3.65Å; F245-I450 HydrophobicContact CZ-CD1 4.01Å; F245-I450 HydrophobicContact CZ-CG1 4.4Å |
| 246 | G | 85.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 20.1 Ų | 20.1 | 6% | 0.062 | 11% | 0.11 | C | C | . | . | trans | -88.2 | 178.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T248 G249 K250 | G246-T248 PolarHBondContact O-N 3.43Å; G246-G249 PolarHBondContact O-N 3.27Å; G246-K250 PolarHBondContact N-O 3.47Å | ||
| 247 | T | 81.5 | Confident | 87.6 | Confident | 106 Ų | 106 | 21.6 Ų | 21.6 | 65% | 0.65 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -21.5 | 179.2 | 49.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 248 | T | 83.6 | Confident | 87.7 | Confident | 104 Ų | 104 | 24.6 Ų | 24.6 | 64% | 0.638 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 8.3 | -176.4 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | G246 K250 | G246-T248 PolarHBondContact O-N 3.43Å; T248-K250 PolarHBondContact O-N 2.82Å |
| 249 | G | 84.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 74 | 0.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y156 F245 G246 | Y156-G249 VanDerWaalsContact CE2-O 3.3Å; Y156-G249 WeakPolarHBondContact CE2-O 3.12Å; Y156-G249 PolarHBondContact OH-O 2.93Å; Y156-G249 VanDerWaalsContact OH-O 3.08Å; F245-G249 VanDerWaalsContact CD1-O 3.32Å; F245-G249 WeakPolarHBondContact CD1-O 3.11Å; G246-G249 PolarHBondContact O-N 3.27Å |
| 250 | K | 85.4 | Confident | 86.8 | Confident | 89 Ų | 89 | 27.3 Ų | 27.3 | 39% | 0.387 | 14% | 0.143 | S | C | . | . | trans | -77.3 | 148.2 | 173.7 | -67.9 | -177.4 | 175.4 | 180 | 0 | 111.7 | A193 F245 G246 T248 A252 | A193-K250 WeakPolarHBondContact O-CA 3.48Å; F245-K250 WeakPolarHBondContact CA-O 3.34Å; G246-K250 PolarHBondContact N-O 3.47Å; T248-K250 PolarHBondContact O-N 2.82Å; K250-A252 PolarHBondContact O-N 2.83Å | ||
| 251 | I | 87.8 | Confident | 86.5 | Confident | 20 Ų | 20 | 27.9 Ų | 27.9 | 10% | 0.103 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 127.7 | 175.2 | -58.6 | 177.5 | 0 | 0 | 0 | 109.3 | F189 A193 L209 E210 I213 I243 H244 F245 | F189-I251 HydrophobicContact CB-CD1 4.33Å; A193-I251 HydrophobicContact CB-CD1 4.4Å; A193-I251 HydrophobicContact CB-CG1 3.94Å; A193-I251 PolarHBondContact O-N 2.87Å; L209-I251 HydrophobicContact CD2-CG2 3.75Å; L209-I251 HydrophobicContact CG-CG2 4.38Å; E210-I251 HydrophobicContact CG-CD1 4.25Å; I213-I251 HydrophobicContact CD1-CG2 3.98Å; I243-I251 HydrophobicContact CG2-CD1 4.25Å; I243-I251 HydrophobicContact CG2-CG1 4.17Å; I243-I251 HydrophobicContact CG2-CG2 4.12Å; H244-I251 WeakPolarHBondContact O-CA 3.08Å; F245-I251 HydrophobicContact CD1-CG1 4.13Å; F245-I251 HydrophobicContact CE1-CG1 3.75Å |
| 252 | A | 87 | Confident | 86 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -16.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H244 K250 T442 V444 | H244-A252 PolarHBondContact O-N 3.49Å; K250-A252 PolarHBondContact O-N 2.83Å; A252-T442 WeakPolarHBondContact O-CG2 3.08Å; A252-T442 PolarHBondContact O-OG1 2.73Å; A252-V444 HydrophobicContact CB-CB 3.91Å; A252-V444 HydrophobicContact CB-CG1 3.6Å |
| 253 | G | 89.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166 | 179.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | H244 L440 | H244-G253 PolarHBondContact N-O 2.69Å; G253-L440 CarbonylContact C-O 3.56Å; G253-L440 VanDerWaalsContact CA-O 3.26Å; G253-L440 WeakPolarHBondContact CA-O 3.16Å |
| 254 | A | 91.1 | Very high | 85 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 161.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I213 R242 L440 | I213-A254 HydrophobicContact CD1-CB 3.79Å; I213-A254 HydrophobicContact CG1-CB 3.77Å; R242-A254 CarbonylContact O-C 3.37Å; R242-A254 VanDerWaalsContact O-CA 3.25Å; R242-A254 WeakPolarHBondContact O-CA 3.03Å; A254-L440 HydrophobicContact CB-CB 4.19Å; A254-L440 HydrophobicContact CB-CD1 4.15Å; A254-L440 PolarHBondContact N-O 3.35Å; A254-L440 CarbonylContact O-C 3.58Å; A254-L440 WeakPolarHBondContact O-CB 3.23Å |
| 255 | D | 91.1 | Very high | 84.7 | Confident | 19 Ų | 19 | 29.1 Ų | 29.1 | 10% | 0.102 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 159.1 | 161.6 | 59.3 | 68.9 | 0 | 0 | 0 | 111.4 | I241 R242 H244 R446 | I241-D255 CarbonylContact C-O 3.59Å; I241-D255 WeakPolarHBondContact CA-O 3.44Å; R242-D255 IonicContact CZ-OD1 3.82Å; R242-D255 PolarHBondContact N-O 2.75Å; R242-D255 IonicContact NE-OD1 2.55Å; R242-D255 PolarHBondContact NE-OD1 2.67Å; R242-D255 IonicContact NE-OD2 3.27Å; R242-D255 IonicContact NH2-OD1 2.63Å; R242-D255 PolarHBondContact NH2-OD1 3.44Å; R242-D255 IonicContact NH2-OD2 3.41Å; R242-D255 PolarHBondContact O-N 2.75Å; H244-D255 IonicContact CD2-OD2 2.83Å; H244-D255 IonicContact CE1-OD2 3.66Å; H244-D255 IonicContact NE2-OD2 2.77Å; H244-D255 PolarHBondContact NE2-OD2 3.14Å; D255-R446 IonicContact OD2-CZ 2.73Å; D255-R446 IonicContact OD2-NH1 3.95Å; D255-R446 PolarHBondContact OD2-NH1 2.71Å |
| 256 | I | 91 | Very high | 84.7 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 115.9 | -173 | -52.5 | -178.9 | 0 | 0 | 0 | 107.7 | A216 L220 K239 F240 I241 V433 V436 N437 L440 | A216-I256 HydrophobicContact CB-CD1 4.14Å; L220-I256 HydrophobicContact CD1-CD1 3.62Å; L220-I256 HydrophobicContact CD1-CG2 4.26Å; K239-I256 HydrophobicContact CB-CG2 4.22Å; F240-I256 WeakPolarHBondContact O-CA 3.43Å; I241-I256 HydrophobicContact CG1-CG1 4.21Å; I241-I256 HydrophobicContact CG1-CG2 4.24Å; I241-I256 HydrophobicContact CG2-CG1 4.36Å; I256-V433 HydrophobicContact CB-CG1 4.39Å; I256-V433 HydrophobicContact CG2-CG1 4.47Å; I256-V433 WeakPolarHBondContact O-CG1 3.5Å; I256-V436 HydrophobicContact CD1-CG1 4.28Å; I256-N437 PolarHBondContact N-OD1 3.46Å; I256-N437 PolarHBondContact O-ND2 2.67Å; I256-L440 HydrophobicContact CD1-CD1 4.24Å; I256-L440 HydrophobicContact CG1-CD1 4.45Å |
| 257 | E | 87 | Confident | 84.8 | Confident | 34 Ų | 34 | 29.8 Ų | 29.8 | 16% | 0.159 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 128.5 | 168.6 | -62.5 | -170.7 | 161.5 | 0 | 0 | 108.9 | F240 R242 Y259 K644 N648 | F240-E257 PolarHBondContact N-O 2.73Å; F240-E257 PolarHBondContact O-N 3.24Å; R242-E257 IonicContact CZ-OE1 3.75Å; R242-E257 VanDerWaalsContact CZ-OE1 3.29Å; R242-E257 IonicContact NH1-OE1 3.48Å; R242-E257 PolarHBondContact NH1-OE1 2.63Å; R242-E257 IonicContact NH1-OE2 2.74Å; R242-E257 IonicContact NH2-OE1 2.72Å; R242-E257 PolarHBondContact NH2-OE1 2.66Å; E257-Y259 HydrophobicContact CB-CE2 3.67Å; E257-Y259 PolarHBondContact OE2-OH 3.41Å; E257-K644 IonicContact OE1-NZ 3.28Å; E257-K644 PolarHBondContact OE1-NZ 2.97Å; E257-K644 IonicContact OE2-NZ 2.71Å; E257-K644 PolarHBondContact OE2-NZ 3.15Å; E257-N648 PolarHBondContact OE2-ND2 2.7Å |
| 258 | H | 86 | Confident | 84.9 | Confident | 65 Ų | 65 | 28 Ų | 28 | 30% | 0.301 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 148.3 | 179.3 | 72.5 | -86.2 | 0 | 0 | 0 | 111.3 | F237 G238 F429 V433 | F237-H258 HydrophobicContact CD2-CB 4.2Å; G238-H258 CarbonylContact O-C 3.55Å; G238-H258 VanDerWaalsContact O-CA 3.3Å; G238-H258 WeakPolarHBondContact O-CA 2.87Å; H258-F429 HydrophobicContact CB-CE1 4.12Å; H258-V433 HydrophobicContact CB-CG2 4.2Å |
| 259 | Y | 76.8 | Confident | 85 | Confident | 16 Ų | 16 | 23.8 Ų | 23.8 | 6% | 0.063 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 140.9 | -173.9 | -63.7 | -87.6 | 0 | 0 | 0 | 110 | F237 G238 F240 E257 S641 L645 | F237-Y259 WeakPolarHBondContact CA-O 3.38Å; G238-Y259 PolarHBondContact N-O 2.79Å; G238-Y259 PolarHBondContact O-N 2.71Å; F240-Y259 HydrophobicContact CB-CE2 3.92Å; E257-Y259 HydrophobicContact CB-CE2 3.67Å; E257-Y259 PolarHBondContact OE2-OH 3.41Å; Y259-S641 VanDerWaalsContact CE1-O 3.25Å; Y259-S641 WeakPolarHBondContact CE1-O 3.06Å; Y259-L645 HydrophobicContact CD1-CB 4.45Å; Y259-L645 HydrophobicContact CD2-CD2 4.47Å; Y259-L645 HydrophobicContact CE1-CB 3.83Å; Y259-L645 HydrophobicContact CE2-CD1 4.18Å; Y259-L645 HydrophobicContact CE2-CD2 4.49Å |
| 260 | L | 70.9 | Confident | 84.7 | Confident | 45 Ų | 45 | 26.4 Ų | 26.4 | 24% | 0.236 | 14% | 0.136 | C | C | . | . | trans | 39.6 | 78 | 173.9 | -170.6 | 69.5 | 0 | 0 | 0 | 115.5 | F237 C470 I471 | F237-L260 WeakPolarHBondContact CA-O 3.26Å; L260-C470 HydrophobicContact CD1-CB 4.02Å; L260-C470 HydrophobicContact CD2-CB 3.67Å; L260-I471 HydrophobicContact CD2-CG1 3.73Å | ||
| 261 | L | 82.4 | Confident | 84.5 | Confident | 13 Ų | 13 | 31.6 Ų | 31.6 | 7% | 0.068 | 16% | 0.159 | C | C | . | . | trans | -77.1 | 126 | 167.6 | -174.7 | 71.6 | 0 | 0 | 0 | 110.3 | R236 F237 K263 Y276 Y425 N426 F429 | R236-L261 WeakPolarHBondContact O-CA 3.36Å; F237-L261 HydrophobicContact CB-CD1 4.1Å; L261-K263 VanDerWaalsContact C-N 3.29Å; L261-K263 PolarHBondContact O-N 2.7Å; L261-Y276 HydrophobicContact CD1-CE1 3.98Å; L261-Y276 WeakPolarHBondContact CD1-OH 3.41Å; L261-Y425 HydrophobicContact CD2-CD1 4.02Å; L261-Y425 HydrophobicContact CD2-CE1 4.34Å; L261-N426 HydrophobicContact CD2-CB 4.4Å; L261-F429 HydrophobicContact CD1-CD1 4.05Å; L261-F429 HydrophobicContact CD1-CE1 4.11Å; L261-F429 HydrophobicContact CD1-CG 4.36Å; L261-F429 HydrophobicContact CD1-CZ 4.48Å; L261-F429 HydrophobicContact CD2-CB 3.81Å; L261-F429 HydrophobicContact CD2-CD1 3.89Å; L261-F429 HydrophobicContact CD2-CG 3.96Å; L261-F429 HydrophobicContact CG-CD1 4.4Å | ||
| 262 | E | 80.5 | Confident | 84.2 | Confident | 11 Ų | 11 | 31.8 Ų | 31.8 | 5% | 0.051 | 17% | 0.166 | C | C | . | . | trans | -72.3 | 73.9 | 178.6 | -167.7 | -175.2 | -129.9 | 0 | 0 | 112.8 | R236 S264 R265 Y276 E467 Q468 | R236-E262 HydrophobicContact CB-CB 4.01Å; R236-E262 IonicContact CZ-OE1 3.18Å; R236-E262 IonicContact CZ-OE2 2.65Å; R236-E262 IonicContact NE-OE1 2.75Å; R236-E262 IonicContact NE-OE2 2.67Å; R236-E262 PolarHBondContact NE-OE2 2.78Å; R236-E262 IonicContact NH2-OE1 3.64Å; R236-E262 PolarHBondContact NH2-OE1 3.47Å; R236-E262 IonicContact NH2-OE2 3.77Å; R236-E262 PolarHBondContact NH2-OE2 3.47Å; R236-E262 PolarHBondContact O-N 3.41Å; E262-S264 VanDerWaalsContact C-N 3.26Å; E262-S264 PolarHBondContact O-N 3.17Å; E262-S264 VanDerWaalsContact O-N 3.13Å; E262-R265 HydrophobicContact CG-CB 4.42Å; E262-R265 WeakPolarHBondContact O-CB 3.27Å; E262-R265 PolarHBondContact O-N 2.81Å; E262-R265 IonicContact OE1-NH2 2.75Å; E262-R265 IonicContact OE2-CZ 2.62Å; E262-R265 IonicContact OE2-NE 3.85Å; E262-R265 PolarHBondContact OE2-NE 3.28Å; E262-R265 IonicContact OE2-NH2 3.24Å; E262-R265 PolarHBondContact OE2-NH2 2.87Å; E262-Y276 PolarHBondContact N-OH 3.49Å; E262-Y276 PolarHBondContact O-OH 2.66Å; E262-Y276 VanDerWaalsContact O-OH 3.06Å; E262-E467 HydrophobicContact CG-CB 4.19Å; E262-E467 HydrophobicContact CG-CG 4.25Å; E262-Q468 PolarHBondContact OE1-NE2 2.73Å | ||
| 263 | K | 81.7 | Confident | 84.2 | Confident | 39 Ų | 39 | 32 Ų | 32 | 17% | 0.17 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -55.1 | -36.1 | -173.4 | -43.3 | -175.5 | -156 | 170.7 | 0 | 114.2 | L261 R265 V266 K422 N426 D593 | L261-K263 VanDerWaalsContact C-N 3.29Å; L261-K263 PolarHBondContact O-N 2.7Å; K263-R265 PolarHBondContact O-N 2.71Å; K263-V266 WeakPolarHBondContact O-CB 3.04Å; K263-V266 WeakPolarHBondContact O-CG2 3.34Å; K263-V266 PolarHBondContact O-N 2.72Å; K263-V266 VanDerWaalsContact O-N 3.1Å; K263-K422 HydrophobicContact CB-CB 4.04Å; K263-K422 HydrophobicContact CB-CD 4.41Å; K263-K422 HydrophobicContact CB-CG 4.05Å; K263-K422 HydrophobicContact CD-CB 4.44Å; K263-N426 HydrophobicContact CD-CB 3.93Å; K263-N426 WeakPolarHBondContact CE-OD1 3.49Å; K263-N426 HydrophobicContact CG-CB 4.16Å; K263-D593 IonicContact NZ-OD2 2.58Å; K263-D593 PolarHBondContact NZ-OD2 2.79Å |
| 264 | S | 79.3 | Confident | 84.2 | Confident | 29 Ų | 29 | 32 Ų | 32 | 20% | 0.203 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -62.6 | -30.6 | -173.9 | 43.8 | 0 | 0 | 0 | 0 | 113.4 | E262 V266 V267 S268 E467 | E262-S264 VanDerWaalsContact C-N 3.26Å; E262-S264 PolarHBondContact O-N 3.17Å; E262-S264 VanDerWaalsContact O-N 3.13Å; S264-V266 PolarHBondContact O-N 2.69Å; S264-V266 VanDerWaalsContact O-N 3.09Å; S264-V267 PolarHBondContact O-N 3.42Å; S264-S268 PolarHBondContact O-N 3.3Å; S264-S268 VanDerWaalsContact O-N 3.11Å; S264-E467 WeakPolarHBondContact CB-OE1 3.2Å; S264-E467 VanDerWaalsContact OG-CD 3.31Å; S264-E467 PolarHBondContact OG-OE1 2.92Å |
| 265 | R | 86.3 | Confident | 84.3 | Confident | 7 Ų | 7 | 32 Ų | 32 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -54 | -28.5 | 173.5 | -178.4 | 170 | -59.2 | -72.9 | -15.5 | 113.4 | A226 E262 K263 V267 S268 Q269 E273 R274 N275 Y276 | A226-R265 VanDerWaalsContact CB-CD 3.45Å; E262-R265 HydrophobicContact CG-CB 4.42Å; E262-R265 WeakPolarHBondContact O-CB 3.27Å; E262-R265 PolarHBondContact O-N 2.81Å; E262-R265 IonicContact OE1-NH2 2.75Å; E262-R265 IonicContact OE2-CZ 2.62Å; E262-R265 IonicContact OE2-NE 3.85Å; E262-R265 PolarHBondContact OE2-NE 3.28Å; E262-R265 IonicContact OE2-NH2 3.24Å; E262-R265 PolarHBondContact OE2-NH2 2.87Å; K263-R265 PolarHBondContact O-N 2.71Å; R265-V267 PolarHBondContact O-N 2.68Å; R265-S268 WeakPolarHBondContact CA-O 3.24Å; R265-Q269 HydrophobicContact CG-CG 4.3Å; R265-Q269 PolarHBondContact O-NE2 2.84Å; R265-E273 IonicContact CZ-OE2 2.59Å; R265-E273 IonicContact NH1-OE1 2.87Å; R265-E273 IonicContact NH1-OE2 2.86Å; R265-E273 PolarHBondContact NH1-OE2 3.47Å; R265-E273 IonicContact NH2-OE1 2.66Å; R265-E273 IonicContact NH2-OE2 3.13Å; R265-E273 PolarHBondContact NH2-OE2 2.81Å; R265-R274 PolarHBondContact NH1-O 2.89Å; R265-N275 VanDerWaalsContact O-CG 3.29Å; R265-N275 PolarHBondContact O-ND2 3.09Å; R265-N275 PolarHBondContact O-OD1 3.2Å; R265-Y276 HydrophobicContact CB-CE2 3.98Å; R265-Y276 HydrophobicContact CG-CD2 4.35Å; R265-Y276 HydrophobicContact CG-CE2 4.15Å |
| 266 | V | 89.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -60.8 | -30.7 | 177.8 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | K263 S264 N275 Y276 F279 I349 Y425 | K263-V266 WeakPolarHBondContact O-CB 3.04Å; K263-V266 WeakPolarHBondContact O-CG2 3.34Å; K263-V266 PolarHBondContact O-N 2.72Å; K263-V266 VanDerWaalsContact O-N 3.1Å; S264-V266 PolarHBondContact O-N 2.69Å; S264-V266 VanDerWaalsContact O-N 3.09Å; V266-N275 PolarHBondContact O-ND2 3.08Å; V266-N275 VanDerWaalsContact O-ND2 3.09Å; V266-Y276 HydrophobicContact CG2-CD2 4.07Å; V266-Y276 HydrophobicContact CG2-CE2 3.81Å; V266-F279 HydrophobicContact CG1-CZ 4.23Å; V266-I349 HydrophobicContact CG1-CD1 4.48Å; V266-I349 HydrophobicContact CG1-CG2 3.6Å; V266-Y425 HydrophobicContact CG1-CD2 4.48Å; V266-Y425 HydrophobicContact CG1-CG 4.37Å; V266-Y425 HydrophobicContact CG2-CD1 3.59Å; V266-Y425 HydrophobicContact CG2-CD2 4.24Å; V266-Y425 HydrophobicContact CG2-CE1 4.23Å; V266-Y425 HydrophobicContact CG2-CG 3.61Å |
| 267 | V | 88.4 | Confident | 84.6 | Confident | 21 Ų | 21 | 31.4 Ų | 31.4 | 13% | 0.127 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | -33.9 | -172.5 | 173.1 | 0 | 0 | 0 | 0 | 112.6 | S264 R265 F305 Q308 A421 K422 | S264-V267 PolarHBondContact O-N 3.42Å; R265-V267 PolarHBondContact O-N 2.68Å; V267-F305 HydrophobicContact CG1-CD1 4.12Å; V267-F305 HydrophobicContact CG1-CE1 3.79Å; V267-F305 HydrophobicContact CG1-CZ 4.17Å; V267-F305 HydrophobicContact CG2-CE2 4.29Å; V267-F305 HydrophobicContact CG2-CZ 4.33Å; V267-Q308 PolarHBondContact O-NE2 2.73Å; V267-A421 HydrophobicContact CG2-CB 4.04Å; V267-K422 HydrophobicContact CG2-CG 4.12Å |
| 268 | S | 83.6 | Confident | 85 | Confident | 67 Ų | 67 | 29.8 Ų | 29.8 | 47% | 0.469 | 16% | 0.155 | S | C | . | . | trans | -148.2 | 144.9 | -179.5 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | S264 R265 Q308 | S264-S268 PolarHBondContact O-N 3.3Å; S264-S268 VanDerWaalsContact O-N 3.11Å; R265-S268 WeakPolarHBondContact CA-O 3.24Å; S268-Q308 VanDerWaalsContact CB-OE1 3.27Å; S268-Q308 PolarHBondContact OG-OE1 2.93Å | ||
| 269 | Q | 85.3 | Confident | 85.4 | Confident | 16 Ų | 16 | 26.8 Ų | 26.8 | 8% | 0.075 | 14% | 0.141 | C | C | . | . | trans | -128.5 | 148.7 | -177.6 | -53.8 | 86.1 | 44.5 | 0 | 0 | 110.6 | R265 N275 F305 | R265-Q269 HydrophobicContact CG-CG 4.3Å; R265-Q269 PolarHBondContact O-NE2 2.84Å; Q269-N275 HydrophobicContact CG-CB 4.19Å; Q269-N275 PolarHBondContact NE2-ND2 3.31Å; Q269-F305 PolarHBondContact NE2-O 2.75Å | ||
| 270 | M | 78.7 | Confident | 86.2 | Confident | 55 Ų | 55 | 26.2 Ų | 26.2 | 27% | 0.271 | 14% | 0.139 | S | C | . | . | trans | -75.4 | 156.2 | 173.4 | -66.6 | -176.2 | 177.7 | 0 | 0 | 111.3 | G272 E273 E463 | M270-G272 PolarHBondContact O-N 2.89Å; M270-E273 HydrophobicContact CB-CG 4.03Å; M270-E273 VanDerWaalsContact O-CB 3.3Å; M270-E273 WeakPolarHBondContact O-CB 2.96Å; M270-E273 PolarHBondContact O-N 2.69Å; M270-E463 HydrophobicContact CE-CB 4.12Å; M270-E463 HydrophobicContact CE-CG 4.2Å; M270-E463 WeakPolarHBondContact CE-O 3.46Å | ||
| 271 | K | 79.9 | Confident | 87.3 | Confident | 199 Ų | 199 | 24.5 Ų | 24.5 | 87% | 0.865 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 122.6 | -177.1 | -175.5 | 179.2 | 179.2 | -179.5 | 0 | 111.7 | ||
| 272 | G | 82.5 | Confident | 87.8 | Confident | 24 Ų | 24 | 24 Ų | 24 | 25% | 0.247 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -0.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | M270 | M270-G272 PolarHBondContact O-N 2.89Š|
| 273 | E | 87 | Confident | 88.3 | Confident | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.019 | 13% | 0.126 | C | C | . | . | trans | -96.6 | 165.3 | 169.7 | -52.7 | -156.6 | 121 | 0 | 0 | 112.1 | K227 T228 T229 R265 M270 G309 E310 | K227-E273 CarbonylContact O-C 3.58Å; K227-E273 VanDerWaalsContact O-CA 3.26Å; K227-E273 WeakPolarHBondContact O-CA 2.98Å; K227-E273 WeakPolarHBondContact O-CB 3.21Å; T228-E273 WeakPolarHBondContact CA-OE1 3.3Å; T228-E273 WeakPolarHBondContact CB-OE1 3.35Å; T228-E273 WeakPolarHBondContact CG2-OE1 3.36Å; T229-E273 HydrophobicContact CG2-CG 4.3Å; R265-E273 IonicContact CZ-OE2 2.59Å; R265-E273 IonicContact NH1-OE1 2.87Å; R265-E273 IonicContact NH1-OE2 2.86Å; R265-E273 PolarHBondContact NH1-OE2 3.47Å; R265-E273 IonicContact NH2-OE1 2.66Å; R265-E273 IonicContact NH2-OE2 3.13Å; R265-E273 PolarHBondContact NH2-OE2 2.81Å; M270-E273 HydrophobicContact CB-CG 4.03Å; M270-E273 VanDerWaalsContact O-CB 3.3Å; M270-E273 WeakPolarHBondContact O-CB 2.96Å; M270-E273 PolarHBondContact O-N 2.69Å; E273-G309 CarbonylContact O-C 3.56Å; E273-G309 WeakPolarHBondContact O-CA 2.88Å; E273-E310 PolarHBondContact O-N 2.63Å | ||
| 274 | R | 90.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | trans | -114.3 | 161.7 | 175.5 | -165.7 | 178.6 | -149.6 | -151.9 | 11 | 110.1 | K227 R265 Y280 E310 L311 I313 D318 | K227-R274 HydrophobicContact CB-CB 3.7Å; K227-R274 HydrophobicContact CG-CB 4.43Å; K227-R274 PolarHBondContact O-N 2.75Å; R265-R274 PolarHBondContact NH1-O 2.89Å; R274-Y280 HydrophobicContact CG-CD2 4.03Å; R274-Y280 HydrophobicContact CG-CE1 4.05Å; R274-Y280 HydrophobicContact CG-CE2 3.31Å; R274-Y280 WeakPolarHBondContact CG-OH 2.88Å; R274-Y280 VanDerWaalsContact NH2-CB 3.31Å; R274-Y280 VanDerWaalsContact NH2-CG 3.32Å; R274-E310 WeakPolarHBondContact CG-O 3.38Å; R274-L311 PolarHBondContact NE-O 3.05Å; R274-L311 PolarHBondContact NH2-O 3.44Å; R274-I313 VanDerWaalsContact NH1-CD1 3.28Å; R274-D318 IonicContact CZ-OD1 3.9Å; R274-D318 IonicContact CZ-OD2 2.62Å; R274-D318 IonicContact NH1-OD1 2.87Å; R274-D318 PolarHBondContact NH1-OD1 2.82Å; R274-D318 IonicContact NH1-OD2 3.45Å; R274-D318 IonicContact NH2-OD1 3.61Å; R274-D318 PolarHBondContact NH2-OD1 2.81Å; R274-D318 IonicContact NH2-OD2 3.14Å; R274-D318 PolarHBondContact NH2-OD2 3.46Å | ||
| 275 | N | 92.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | trans | -73.9 | -178.6 | 163.1 | -155.8 | -22.8 | 0 | 0 | 0 | 109.6 | A226 R265 V266 Q269 F279 Y280 F305 | A226-N275 WeakPolarHBondContact CB-O 3.28Å; R265-N275 VanDerWaalsContact O-CG 3.29Å; R265-N275 PolarHBondContact O-ND2 3.09Å; R265-N275 PolarHBondContact O-OD1 3.2Å; V266-N275 PolarHBondContact O-ND2 3.08Å; V266-N275 VanDerWaalsContact O-ND2 3.09Å; Q269-N275 HydrophobicContact CG-CB 4.19Å; Q269-N275 PolarHBondContact NE2-ND2 3.31Å; N275-F279 HydrophobicContact CB-CD2 4.2Å; N275-F279 WeakPolarHBondContact OD1-CE2 3.36Å; N275-Y280 HydrophobicContact CB-CE2 3.95Å; N275-Y280 PolarHBondContact N-OH 3.28Å; N275-Y280 VanDerWaalsContact N-OH 3.14Å; N275-F305 PolarHBondContact ND2-O 3.26Å | ||
| 276 | Y | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -59.6 | 141.8 | 178.5 | -69.6 | -86.5 | 0 | 0 | 0 | 112.7 | Y223 G224 N225 R236 L261 E262 R265 V266 I278 F279 Y425 | Y223-Y276 WeakPolarHBondContact O-CD1 3.06Å; G224-Y276 WeakPolarHBondContact O-CE1 3Å; N225-Y276 WeakPolarHBondContact O-CA 3.42Å; R236-Y276 HydrophobicContact CB-CE1 3.88Å; R236-Y276 HydrophobicContact CG-CE1 4.28Å; L261-Y276 HydrophobicContact CD1-CE1 3.98Å; L261-Y276 WeakPolarHBondContact CD1-OH 3.41Å; E262-Y276 PolarHBondContact N-OH 3.49Å; E262-Y276 PolarHBondContact O-OH 2.66Å; E262-Y276 VanDerWaalsContact O-OH 3.06Å; R265-Y276 HydrophobicContact CB-CE2 3.98Å; R265-Y276 HydrophobicContact CG-CD2 4.35Å; R265-Y276 HydrophobicContact CG-CE2 4.15Å; V266-Y276 HydrophobicContact CG2-CD2 4.07Å; V266-Y276 HydrophobicContact CG2-CE2 3.81Å; Y276-I278 VanDerWaalsContact C-N 3.3Å; Y276-I278 PolarHBondContact O-N 3.33Å; Y276-F279 HydrophobicContact CD2-CE2 4.38Å; Y276-F279 WeakPolarHBondContact O-CD2 3.45Å; Y276-F279 PolarHBondContact O-N 3.15Å; Y276-Y425 WeakPolarHBondContact CB-OH 3.49Å; Y276-Y425 HydrophobicContact CD1-CE1 4.28Å; Y276-Y425 HydrophobicContact CD2-CD1 4.49Å; Y276-Y425 AromaticContact CD2-CE1 3.72Å; Y276-Y425 HydrophobicContact CD2-CE1 3.72Å; Y276-Y425 AromaticContact CD2-CZ 3.86Å; Y276-Y425 HydrophobicContact CE1-CE1 4.36Å; Y276-Y425 HydrophobicContact CE2-CD1 4.37Å; Y276-Y425 AromaticContact CE2-CE1 3.84Å; Y276-Y425 HydrophobicContact CE2-CE1 3.84Å; Y276-Y425 AromaticContact CG-CE1 3.96Å; Y276-Y425 HydrophobicContact CG-CE1 3.96Å; Y276-Y425 AromaticContact CG-CZ 3.84Å |
| 277 | H | 94.1 | Very high | 89.3 | Confident | 12 Ų | 12 | 29.3 Ų | 29.3 | 6% | 0.056 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.7 | -35.5 | -169.2 | -61.7 | -38.3 | 0 | 0 | 0 | 113.9 | A222 N225 K227 N232 N233 F279 Y280 Q281 I313 | A222-H277 PolarHBondContact O-N 3.49Å; N225-H277 WeakPolarHBondContact CB-NE2 3.24Å; N225-H277 PolarHBondContact O-CD2 3.46Å; N225-H277 PolarHBondContact O-N 3.11Å; K227-H277 PolarHBondContact N-CE1 2.76Å; N232-H277 PolarHBondContact O-CE1 2.76Å; N233-H277 WeakPolarHBondContact CA-NE2 2.94Å; N233-H277 WeakPolarHBondContact CB-NE2 3.35Å; N233-H277 PolarHBondContact OD1-NE2 2.91Å; H277-F279 PolarHBondContact O-N 2.84Å; H277-F279 VanDerWaalsContact O-N 3.11Å; H277-Y280 PolarHBondContact O-N 3.45Å; H277-Q281 WeakPolarHBondContact O-CG 3.38Å; H277-Q281 PolarHBondContact O-N 3.15Å; H277-I313 WeakPolarHBondContact CE1-CD1 3.06Å |
| 278 | I | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -53.9 | -32.8 | 179.5 | -174 | 63.7 | 0 | 0 | 0 | 113.3 | A222 Y223 Y276 Y280 L282 M322 F343 T346 Y425 | A222-I278 HydrophobicContact CB-CB 4.29Å; A222-I278 HydrophobicContact CB-CD1 4.36Å; A222-I278 WeakPolarHBondContact O-CB 3.22Å; A222-I278 WeakPolarHBondContact O-CG2 3.42Å; A222-I278 PolarHBondContact O-N 2.8Å; Y223-I278 HydrophobicContact CD1-CG2 4Å; Y223-I278 HydrophobicContact CD2-CB 4.28Å; Y223-I278 HydrophobicContact CD2-CD1 4.34Å; Y223-I278 HydrophobicContact CD2-CG1 4.07Å; Y223-I278 HydrophobicContact CE1-CG1 4.15Å; Y223-I278 HydrophobicContact CE1-CG2 4.22Å; Y223-I278 HydrophobicContact CE2-CB 4.36Å; Y223-I278 HydrophobicContact CE2-CD1 3.78Å; Y223-I278 HydrophobicContact CE2-CG1 3.64Å; Y223-I278 HydrophobicContact CG-CB 4.4Å; Y223-I278 HydrophobicContact CG-CG1 4.49Å; Y223-I278 HydrophobicContact CG-CG2 4.17Å; Y276-I278 VanDerWaalsContact C-N 3.3Å; Y276-I278 PolarHBondContact O-N 3.33Å; I278-Y280 VanDerWaalsContact C-N 3.3Å; I278-Y280 PolarHBondContact O-N 3.33Å; I278-L282 HydrophobicContact CD1-CD1 4.08Å; I278-L282 HydrophobicContact CD1-CG 3.95Å; I278-L282 HydrophobicContact CG1-CD1 3.89Å; I278-L282 HydrophobicContact CG1-CG 4.23Å; I278-L282 WeakPolarHBondContact O-CB 3.48Å; I278-L282 WeakPolarHBondContact O-CG 3.04Å; I278-L282 PolarHBondContact O-N 3.37Å; I278-M322 HydrophobicContact CD1-SD 4.48Å; I278-F343 HydrophobicContact CD1-CE1 4.48Å; I278-T346 HydrophobicContact CG1-CG2 4.26Å; I278-T346 HydrophobicContact CG2-CG2 4.14Å; I278-Y425 HydrophobicContact CG2-CE2 4.42Å; I278-Y425 WeakPolarHBondContact CG2-OH 3.26Å |
| 279 | F | 94.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.7 | -39 | 178.3 | -70.7 | -66.3 | 0 | 0 | 0 | 111.9 | V266 N275 Y276 H277 L283 I306 T346 I349 Y425 | V266-F279 HydrophobicContact CG1-CZ 4.23Å; N275-F279 HydrophobicContact CB-CD2 4.2Å; N275-F279 WeakPolarHBondContact OD1-CE2 3.36Å; Y276-F279 HydrophobicContact CD2-CE2 4.38Å; Y276-F279 WeakPolarHBondContact O-CD2 3.45Å; Y276-F279 PolarHBondContact O-N 3.15Å; H277-F279 PolarHBondContact O-N 2.84Å; H277-F279 VanDerWaalsContact O-N 3.11Å; F279-L283 VanDerWaalsContact O-CG 3.27Å; F279-L283 WeakPolarHBondContact O-CG 3.34Å; F279-L283 PolarHBondContact O-N 3.33Å; F279-I306 HydrophobicContact CB-CD1 4.06Å; F279-I306 HydrophobicContact CD1-CD1 4.35Å; F279-I306 HydrophobicContact CG-CD1 4.38Å; F279-T346 HydrophobicContact CD1-CG2 3.54Å; F279-T346 HydrophobicContact CE1-CG2 3.52Å; F279-T346 HydrophobicContact CG-CG2 4.37Å; F279-T346 HydrophobicContact CZ-CG2 4.31Å; F279-I349 HydrophobicContact CE1-CB 4.23Å; F279-I349 HydrophobicContact CE1-CG2 4.13Å; F279-I349 HydrophobicContact CZ-CG2 4.09Å; F279-Y425 HydrophobicContact CE1-CE2 4.5Å; F279-Y425 HydrophobicContact CE2-CD2 4.32Å; F279-Y425 AromaticContact CE2-CE2 3.75Å; F279-Y425 HydrophobicContact CE2-CE2 3.75Å; F279-Y425 AromaticContact CZ-CD2 3.82Å; F279-Y425 HydrophobicContact CZ-CD2 3.82Å; F279-Y425 AromaticContact CZ-CE2 3.59Å; F279-Y425 HydrophobicContact CZ-CE2 3.59Å |
| 280 | Y | 94 | Very high | 89.8 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -86.7 | -36.8 | -177.5 | -52.3 | -98.7 | 0 | 0 | 0 | 111 | R274 N275 H277 I278 L282 L283 S284 P300 I306 L311 | R274-Y280 HydrophobicContact CG-CD2 4.03Å; R274-Y280 HydrophobicContact CG-CE1 4.05Å; R274-Y280 HydrophobicContact CG-CE2 3.31Å; R274-Y280 WeakPolarHBondContact CG-OH 2.88Å; R274-Y280 VanDerWaalsContact NH2-CB 3.31Å; R274-Y280 VanDerWaalsContact NH2-CG 3.32Å; N275-Y280 HydrophobicContact CB-CE2 3.95Å; N275-Y280 PolarHBondContact N-OH 3.28Å; N275-Y280 VanDerWaalsContact N-OH 3.14Å; H277-Y280 PolarHBondContact O-N 3.45Å; I278-Y280 VanDerWaalsContact C-N 3.3Å; I278-Y280 PolarHBondContact O-N 3.33Å; Y280-L282 VanDerWaalsContact C-N 3.34Å; Y280-L282 PolarHBondContact O-N 2.79Å; Y280-L283 CarbonylContact O-C 3.53Å; Y280-L283 PolarHBondContact O-N 2.83Å; Y280-L283 VanDerWaalsContact O-N 3.15Å; Y280-S284 PolarHBondContact O-N 3.46Å; Y280-P300 HydrophobicContact CD1-CB 3.99Å; Y280-P300 HydrophobicContact CD1-CG 4.17Å; Y280-P300 HydrophobicContact CE1-CB 4.16Å; Y280-I306 HydrophobicContact CD1-CG2 4.25Å; Y280-I306 HydrophobicContact CE1-CG2 3.42Å; Y280-I306 VanDerWaalsContact CE1-CG2 3.42Å; Y280-I306 HydrophobicContact CE2-CG2 4.4Å; Y280-I306 WeakPolarHBondContact OH-CG2 3.04Å; Y280-I306 PolarHBondContact OH-O 2.84Å; Y280-L311 HydrophobicContact CE1-CD2 4.31Å |
| 281 | Q | 93.7 | Very high | 90.4 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.7 | -45.5 | 170.5 | -71 | 172.8 | -3.7 | 0 | 0 | 111.8 | H277 L283 S284 D318 E321 M322 | H277-Q281 WeakPolarHBondContact O-CG 3.38Å; H277-Q281 PolarHBondContact O-N 3.15Å; Q281-L283 VanDerWaalsContact C-N 3.35Å; Q281-L283 PolarHBondContact O-N 3.33Å; Q281-S284 VanDerWaalsContact O-CB 3.23Å; Q281-S284 WeakPolarHBondContact O-CB 3.16Å; Q281-S284 PolarHBondContact O-N 3.06Å; Q281-S284 PolarHBondContact O-OG 3.36Å; Q281-D318 HydrophobicContact CG-CB 4.46Å; Q281-E321 HydrophobicContact CG-CB 4.27Å; Q281-M322 VanDerWaalsContact C-SD 3.59Å; Q281-M322 HydrophobicContact CB-CB 3.81Å; Q281-M322 HydrophobicContact CB-CG 4.28Å; Q281-M322 HydrophobicContact CB-SD 3.76Å; Q281-M322 HydrophobicContact CG-CB 4.4Å; Q281-M322 WeakPolarHBondContact O-CB 3.05Å; Q281-M322 VanDerWaalsContact O-CG 3.23Å; Q281-M322 WeakPolarHBondContact O-CG 2.97Å |
| 282 | L | 93 | Very high | 90.8 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.9 | -30.8 | 176.5 | -78.3 | 171 | 0 | 0 | 0 | 113.4 | I278 Y280 S284 H291 L294 M322 F343 T346 T347 | I278-L282 HydrophobicContact CD1-CD1 4.08Å; I278-L282 HydrophobicContact CD1-CG 3.95Å; I278-L282 HydrophobicContact CG1-CD1 3.89Å; I278-L282 HydrophobicContact CG1-CG 4.23Å; I278-L282 WeakPolarHBondContact O-CB 3.48Å; I278-L282 WeakPolarHBondContact O-CG 3.04Å; I278-L282 PolarHBondContact O-N 3.37Å; Y280-L282 VanDerWaalsContact C-N 3.34Å; Y280-L282 PolarHBondContact O-N 2.79Å; L282-S284 VanDerWaalsContact C-N 3.33Å; L282-H291 PolarHBondContact O-CD2 2.7Å; L282-H291 PolarHBondContact O-NE2 2.66Å; L282-L294 HydrophobicContact CD2-CD1 4.26Å; L282-M322 HydrophobicContact CD2-CE 3.64Å; L282-M322 HydrophobicContact CD2-SD 4.03Å; L282-M322 HydrophobicContact CG-CE 4.47Å; L282-M322 HydrophobicContact CG-SD 4.26Å; L282-F343 HydrophobicContact CD1-CB 4.28Å; L282-F343 HydrophobicContact CD1-CD1 4.08Å; L282-F343 HydrophobicContact CD1-CG 4.37Å; L282-F343 HydrophobicContact CD2-CB 4.09Å; L282-F343 HydrophobicContact CD2-CD1 3.76Å; L282-F343 HydrophobicContact CD2-CD2 3.99Å; L282-F343 HydrophobicContact CD2-CE1 4.15Å; L282-F343 HydrophobicContact CD2-CE2 4.36Å; L282-F343 HydrophobicContact CD2-CG 3.68Å; L282-F343 HydrophobicContact CD2-CZ 4.44Å; L282-F343 HydrophobicContact CG-CD1 4.44Å; L282-T346 HydrophobicContact CD1-CG2 3.75Å; L282-T347 HydrophobicContact CD1-CG2 4.34Å |
| 283 | L | 92.6 | Very high | 91.1 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -81.8 | -11 | 176.4 | -64.8 | -178.6 | 0 | 0 | 0 | 113.6 | F279 Y280 Q281 H291 V296 Q297 P300 Y303 I306 | F279-L283 VanDerWaalsContact O-CG 3.27Å; F279-L283 WeakPolarHBondContact O-CG 3.34Å; F279-L283 PolarHBondContact O-N 3.33Å; Y280-L283 CarbonylContact O-C 3.53Å; Y280-L283 PolarHBondContact O-N 2.83Å; Y280-L283 VanDerWaalsContact O-N 3.15Å; Q281-L283 VanDerWaalsContact C-N 3.35Å; Q281-L283 PolarHBondContact O-N 3.33Å; L283-H291 PolarHBondContact O-CE1 2.76Å; L283-V296 HydrophobicContact CD2-CB 3.79Å; L283-V296 HydrophobicContact CD2-CG1 4.25Å; L283-V296 HydrophobicContact CD2-CG2 3.96Å; L283-Q297 WeakPolarHBondContact CD2-O 3.38Å; L283-P300 HydrophobicContact CB-CG 4.41Å; L283-P300 HydrophobicContact CD1-CB 4.06Å; L283-P300 HydrophobicContact CD1-CG 4.06Å; L283-Y303 HydrophobicContact CD1-CD2 4.03Å; L283-Y303 HydrophobicContact CD1-CE2 3.62Å; L283-Y303 HydrophobicContact CD2-CE2 4.21Å; L283-I306 HydrophobicContact CD1-CD1 4.42Å |
| 284 | S | 91.5 | Very high | 91.4 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 11% | 0.112 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -60 | 168.1 | 179.7 | 76.1 | 0 | 0 | 0 | 0 | 114.3 | Y280 Q281 L282 Y286 G287 S288 | Y280-S284 PolarHBondContact O-N 3.46Å; Q281-S284 VanDerWaalsContact O-CB 3.23Å; Q281-S284 WeakPolarHBondContact O-CB 3.16Å; Q281-S284 PolarHBondContact O-N 3.06Å; Q281-S284 PolarHBondContact O-OG 3.36Å; L282-S284 VanDerWaalsContact C-N 3.33Å; S284-Y286 VanDerWaalsContact C-N 3.33Å; S284-Y286 PolarHBondContact O-N 2.8Å; S284-Y286 PolarHBondContact OG-N 2.91Å; S284-G287 CarbonylContact O-C 3.53Å; S284-G287 WeakPolarHBondContact O-CA 3.27Å; S284-G287 PolarHBondContact O-N 2.61Å; S284-G287 PolarHBondContact OG-N 2.92Å; S284-G287 VanDerWaalsContact OG-N 3.13Å; S284-S288 PolarHBondContact O-N 2.78Å; S284-S288 VanDerWaalsContact O-N 3.15Å |
| 285 | T | 89.5 | Confident | 91.5 | Very high | 110 Ų | 110 | 36.7 Ų | 36.7 | 68% | 0.675 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -37.6 | 174.6 | 45.2 | 0 | 0 | 0 | 0 | 112.9 | S288 S319 | T285-S288 VanDerWaalsContact O-CB 3.29Å; T285-S288 WeakPolarHBondContact O-CB 3.21Å; T285-S288 PolarHBondContact O-N 2.78Å; T285-S288 PolarHBondContact O-OG 2.89Å; T285-S319 WeakPolarHBondContact OG1-CB 3.39Å; T285-S319 PolarHBondContact OG1-OG 2.76Å; T285-S319 VanDerWaalsContact OG1-OG 3.05Å |
| 286 | Y | 88.4 | Confident | 91.3 | Very high | 68 Ų | 68 | 37.4 Ų | 37.4 | 27% | 0.267 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -33.5 | 171.2 | -174.3 | -88.9 | 0 | 0 | 0 | 112.4 | S284 S288 K289 S319 M322 K323 D326 | S284-Y286 VanDerWaalsContact C-N 3.33Å; S284-Y286 PolarHBondContact O-N 2.8Å; S284-Y286 PolarHBondContact OG-N 2.91Å; Y286-S288 PolarHBondContact O-N 2.79Å; Y286-K289 HydrophobicContact CE1-CD 4.31Å; Y286-K289 VanDerWaalsContact CE1-NZ 3.26Å; Y286-K289 VanDerWaalsContact CZ-NZ 3.29Å; Y286-K289 WeakPolarHBondContact O-CG 3.19Å; Y286-K289 PolarHBondContact OH-NZ 3.44Å; Y286-S319 WeakPolarHBondContact CB-O 3.25Å; Y286-S319 VanDerWaalsContact CB-OG 3.3Å; Y286-S319 WeakPolarHBondContact CB-OG 2.86Å; Y286-S319 PolarHBondContact N-OG 2.88Å; Y286-M322 HydrophobicContact CD1-CB 4.21Å; Y286-M322 HydrophobicContact CD1-CG 3.8Å; Y286-K323 HydrophobicContact CD1-CB 4.11Å; Y286-K323 HydrophobicContact CD2-CB 4.01Å; Y286-K323 HydrophobicContact CD2-CG 4.3Å; Y286-K323 HydrophobicContact CE1-CB 3.98Å; Y286-K323 HydrophobicContact CE1-CG 4.35Å; Y286-K323 HydrophobicContact CE2-CB 3.88Å; Y286-K323 HydrophobicContact CE2-CD 4.25Å; Y286-K323 HydrophobicContact CE2-CG 3.73Å; Y286-K323 HydrophobicContact CG-CB 4.13Å; Y286-D326 HydrophobicContact CE1-CB 4.2Å; Y286-D326 PolarHBondContact OH-OD2 3.44Å |
| 287 | G | 86.6 | Confident | 91 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S284 K289 Y290 H291 | S284-G287 CarbonylContact O-C 3.53Å; S284-G287 WeakPolarHBondContact O-CA 3.27Å; S284-G287 PolarHBondContact O-N 2.61Å; S284-G287 PolarHBondContact OG-N 2.92Å; S284-G287 VanDerWaalsContact OG-N 3.13Å; G287-K289 PolarHBondContact O-N 2.86Å; G287-Y290 PolarHBondContact O-N 3.43Å; G287-H291 PolarHBondContact O-CD2 2.7Å; G287-H291 VanDerWaalsContact O-CD2 3.23Å; G287-H291 PolarHBondContact O-NE2 3.23Å |
| 288 | S | 88.2 | Confident | 90.7 | Very high | 64 Ų | 64 | 47.2 Ų | 47.2 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -52.1 | -29.7 | -178.6 | 67.4 | 0 | 0 | 0 | 0 | 114.9 | S284 T285 Y286 Y290 H291 | S284-S288 PolarHBondContact O-N 2.78Å; S284-S288 VanDerWaalsContact O-N 3.15Å; T285-S288 VanDerWaalsContact O-CB 3.29Å; T285-S288 WeakPolarHBondContact O-CB 3.21Å; T285-S288 PolarHBondContact O-N 2.78Å; T285-S288 PolarHBondContact O-OG 2.89Å; Y286-S288 PolarHBondContact O-N 2.79Å; S288-Y290 PolarHBondContact O-N 2.62Å; S288-H291 PolarHBondContact O-N 2.58Å; S288-H291 VanDerWaalsContact O-N 3.08Å |
| 289 | K | 88.6 | Confident | 90.4 | Very high | 91 Ų | 91 | 50.6 Ų | 50.6 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.1 | -12.5 | 174.2 | 71.4 | -174.1 | -179.2 | 162.2 | 0 | 114.6 | Y286 G287 D326 | Y286-K289 HydrophobicContact CE1-CD 4.31Å; Y286-K289 VanDerWaalsContact CE1-NZ 3.26Å; Y286-K289 VanDerWaalsContact CZ-NZ 3.29Å; Y286-K289 WeakPolarHBondContact O-CG 3.19Å; Y286-K289 PolarHBondContact OH-NZ 3.44Å; G287-K289 PolarHBondContact O-N 2.86Å; K289-D326 IonicContact NZ-OD2 3.41Å; K289-D326 PolarHBondContact NZ-OD2 3.4Å |
| 290 | Y | 91.2 | Very high | 90.1 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 11% | 0.106 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -114.5 | -11.5 | 175.7 | -56 | -52.2 | 0 | 0 | 0 | 114.4 | G287 S288 D292 K293 L294 M322 D326 F343 | G287-Y290 PolarHBondContact O-N 3.43Å; S288-Y290 PolarHBondContact O-N 2.62Å; Y290-D292 PolarHBondContact O-N 2.66Å; Y290-K293 WeakPolarHBondContact O-CA 3.17Å; Y290-K293 WeakPolarHBondContact O-CB 3.31Å; Y290-K293 PolarHBondContact O-N 3.09Å; Y290-L294 HydrophobicContact CG-CD1 4.49Å; Y290-L294 WeakPolarHBondContact O-CB 3.5Å; Y290-L294 VanDerWaalsContact O-CG 3.32Å; Y290-L294 WeakPolarHBondContact O-CG 3.16Å; Y290-L294 PolarHBondContact O-N 2.7Å; Y290-M322 HydrophobicContact CD2-CE 4.46Å; Y290-M322 HydrophobicContact CE2-CE 4.15Å; Y290-D326 PolarHBondContact OH-OD1 2.81Å; Y290-F343 AromaticContact CD2-CD2 3.94Å; Y290-F343 HydrophobicContact CD2-CD2 3.94Å; Y290-F343 AromaticContact CD2-CE2 3.95Å; Y290-F343 HydrophobicContact CD2-CE2 3.95Å; Y290-F343 AromaticContact CE2-CD2 3.93Å; Y290-F343 HydrophobicContact CE2-CD2 3.93Å; Y290-F343 AromaticContact CE2-CE2 3.48Å; Y290-F343 HydrophobicContact CE2-CE2 3.48Å; Y290-F343 VanDerWaalsContact CE2-CE2 3.48Å; Y290-F343 HydrophobicContact CE2-CZ 4.5Å; Y290-F343 HydrophobicContact CG-CD2 4.44Å; Y290-F343 AromaticContact CZ-CE2 3.96Å |
| 291 | H | 91.4 | Very high | 89.8 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 7% | 0.069 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.1 | -44.2 | -169.1 | -72.1 | -178.8 | 0 | 0 | 0 | 113.3 | L282 L283 G287 S288 K293 L294 L295 V296 | L282-H291 PolarHBondContact O-CD2 2.7Å; L282-H291 PolarHBondContact O-NE2 2.66Å; L283-H291 PolarHBondContact O-CE1 2.76Å; G287-H291 PolarHBondContact O-CD2 2.7Å; G287-H291 VanDerWaalsContact O-CD2 3.23Å; G287-H291 PolarHBondContact O-NE2 3.23Å; S288-H291 PolarHBondContact O-N 2.58Å; S288-H291 VanDerWaalsContact O-N 3.08Å; H291-K293 VanDerWaalsContact C-N 3.26Å; H291-K293 PolarHBondContact O-N 3.38Å; H291-L294 CarbonylContact O-C 3.59Å; H291-L294 PolarHBondContact O-N 2.71Å; H291-L294 VanDerWaalsContact O-N 3.08Å; H291-L295 PolarHBondContact O-N 2.72Å; H291-V296 HydrophobicContact CB-CG2 4.2Å |
| 292 | D | 88.5 | Confident | 89.7 | Confident | 155 Ų | 155 | 56.7 Ų | 56.7 | 83% | 0.829 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.6 | -34.3 | 175.9 | -67.8 | -17.8 | 0 | 0 | 0 | 113.2 | Y290 | Y290-D292 PolarHBondContact O-N 2.66Å |
| 293 | K | 89.7 | Confident | 89.6 | Confident | 127 Ų | 127 | 57.2 Ų | 57.2 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -82.8 | -22.6 | 178.5 | -60.7 | -174.7 | -174.8 | -178.3 | 0 | 112.8 | Y290 H291 L340 | Y290-K293 WeakPolarHBondContact O-CA 3.17Å; Y290-K293 WeakPolarHBondContact O-CB 3.31Å; Y290-K293 PolarHBondContact O-N 3.09Å; H291-K293 VanDerWaalsContact C-N 3.26Å; H291-K293 PolarHBondContact O-N 3.38Å; K293-L340 HydrophobicContact CB-CD1 4.3Å; K293-L340 HydrophobicContact CD-CD1 4.2Å; K293-L340 HydrophobicContact CD-CD2 4.18Å |
| 294 | L | 92.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -104.1 | -4 | -173 | -66.5 | -179.4 | 0 | 0 | 0 | 113.6 | L282 Y290 H291 V296 L340 F343 K344 T347 | L282-L294 HydrophobicContact CD2-CD1 4.26Å; Y290-L294 HydrophobicContact CG-CD1 4.49Å; Y290-L294 WeakPolarHBondContact O-CB 3.5Å; Y290-L294 VanDerWaalsContact O-CG 3.32Å; Y290-L294 WeakPolarHBondContact O-CG 3.16Å; Y290-L294 PolarHBondContact O-N 2.7Å; H291-L294 CarbonylContact O-C 3.59Å; H291-L294 PolarHBondContact O-N 2.71Å; H291-L294 VanDerWaalsContact O-N 3.08Å; L294-V296 VanDerWaalsContact C-N 3.35Å; L294-V296 HydrophobicContact CB-CG2 3.96Å; L294-V296 PolarHBondContact O-N 2.69Å; L294-L340 HydrophobicContact CD2-CD1 4.18Å; L294-F343 HydrophobicContact CD1-CB 3.87Å; L294-F343 HydrophobicContact CD2-CB 3.83Å; L294-K344 HydrophobicContact CD2-CB 4.46Å; L294-K344 HydrophobicContact CD2-CG 4.13Å; L294-T347 HydrophobicContact CB-CG2 3.96Å; L294-T347 HydrophobicContact CD1-CG2 3.92Å; L294-T347 HydrophobicContact CG-CG2 4.36Å; L294-T347 PolarHBondContact O-OG1 3.48Å; L294-T347 VanDerWaalsContact O-OG1 3.11Å |
| 295 | L | 91.7 | Very high | 89.5 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 42 | 177.4 | -53.2 | -179.6 | 0 | 0 | 0 | 113.6 | H291 K376 F379 L380 | H291-L295 PolarHBondContact O-N 2.72Å; L295-K376 HydrophobicContact CB-CB 4.49Å; L295-K376 HydrophobicContact CB-CD 4.32Å; L295-K376 HydrophobicContact CB-CG 4.3Å; L295-K376 HydrophobicContact CD1-CB 4.07Å; L295-K376 HydrophobicContact CD1-CG 4.09Å; L295-F379 HydrophobicContact CD1-CD1 3.67Å; L295-F379 HydrophobicContact CD1-CE1 4.27Å; L295-F379 HydrophobicContact CD1-CG 4.39Å; L295-L380 HydrophobicContact CD1-CG 4.47Å; L295-L380 HydrophobicContact CG-CD2 4.5Å |
| 296 | V | 89.9 | Confident | 89.5 | Confident | 15 Ų | 15 | 54 Ų | 54 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | trans | -121.1 | 150.2 | -178.4 | -73.3 | 0 | 0 | 0 | 0 | 112.8 | L283 H291 L294 Y303 T347 | L283-V296 HydrophobicContact CD2-CB 3.79Å; L283-V296 HydrophobicContact CD2-CG1 4.25Å; L283-V296 HydrophobicContact CD2-CG2 3.96Å; H291-V296 HydrophobicContact CB-CG2 4.2Å; L294-V296 VanDerWaalsContact C-N 3.35Å; L294-V296 HydrophobicContact CB-CG2 3.96Å; L294-V296 PolarHBondContact O-N 2.69Å; V296-Y303 WeakPolarHBondContact CA-OH 3.17Å; V296-Y303 WeakPolarHBondContact CB-OH 3.07Å; V296-T347 HydrophobicContact CG1-CG2 3.82Å; V296-T347 HydrophobicContact CG2-CG2 4.33Å | ||
| 297 | Q | 87.2 | Confident | 89.5 | Confident | 129 Ų | 129 | 54.1 Ų | 54.1 | 60% | 0.603 | 29% | 0.289 | S | S | * | . | trans | -98.8 | 149.8 | 167.8 | -59 | -176.4 | 10.1 | 0 | 0 | 110.4 | L283 D299 L302 Y303 | L283-Q297 WeakPolarHBondContact CD2-O 3.38Å; Q297-D299 VanDerWaalsContact C-N 3.3Å; Q297-D299 PolarHBondContact O-N 3.34Å; Q297-L302 HydrophobicContact CB-CD1 4.12Å; Q297-L302 VanDerWaalsContact OE1-CD1 3.28Å; Q297-Y303 PolarHBondContact N-OH 2.88Å; Q297-Y303 PolarHBondContact O-OH 3.23Å | ||
| 298 | T | 86.4 | Confident | 89.4 | Confident | 90 Ų | 90 | 57.9 Ų | 57.9 | 55% | 0.552 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -63.1 | -22.3 | -171.5 | 51.9 | 0 | 0 | 0 | 0 | 116.2 | P300 | T298-P300 WeakPolarHBondContact O-CD 3.41Š|
| 299 | D | 88.7 | Confident | 89.1 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | trans | -88.7 | 114.7 | -173 | -178.2 | 2.7 | 0 | 0 | 0 | 111.5 | Q297 A301 L302 Y303 | Q297-D299 VanDerWaalsContact C-N 3.3Å; Q297-D299 PolarHBondContact O-N 3.34Å; D299-A301 PolarHBondContact O-N 3.37Å; D299-A301 VanDerWaalsContact OD1-CB 3.22Å; D299-A301 WeakPolarHBondContact OD1-CB 2.87Å; D299-A301 PolarHBondContact OD1-N 3.09Å; D299-L302 HydrophobicContact CB-CD1 3.9Å; D299-L302 HydrophobicContact CB-CG 3.99Å; D299-L302 PolarHBondContact O-N 2.75Å; D299-Y303 WeakPolarHBondContact O-CE2 3.08Å | ||
| 300 | P | 88.5 | Confident | 89 | Confident | 27 Ų | 27 | 55.1 Ų | 55.1 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -65.2 | -19.5 | 178 | -20.3 | 34.7 | 0 | 0 | 0 | 114 | Y280 L283 T298 L302 I306 L311 | Y280-P300 HydrophobicContact CD1-CB 3.99Å; Y280-P300 HydrophobicContact CD1-CG 4.17Å; Y280-P300 HydrophobicContact CE1-CB 4.16Å; L283-P300 HydrophobicContact CB-CG 4.41Å; L283-P300 HydrophobicContact CD1-CB 4.06Å; L283-P300 HydrophobicContact CD1-CG 4.06Å; T298-P300 WeakPolarHBondContact O-CD 3.41Å; P300-L302 PolarHBondContact O-N 2.75Å; P300-I306 HydrophobicContact CB-CG2 3.96Å; P300-L311 HydrophobicContact CB-CD2 4.21Å |
| 301 | A | 88.9 | Confident | 88.9 | Confident | 38 Ų | 38 | 56.4 Ų | 56.4 | 31% | 0.314 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -66.1 | -16.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D299 N307 L311 | D299-A301 PolarHBondContact O-N 3.37Å; D299-A301 VanDerWaalsContact OD1-CB 3.22Å; D299-A301 WeakPolarHBondContact OD1-CB 2.87Å; D299-A301 PolarHBondContact OD1-N 3.09Å; A301-N307 WeakPolarHBondContact O-CB 3.11Å; A301-N307 PolarHBondContact O-ND2 3.43Å; A301-L311 HydrophobicContact CB-CD1 3.72Å |
| 302 | L | 90.1 | Very high | 88.7 | Confident | 78 Ų | 78 | 60 Ų | 60 | 41% | 0.408 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -82.5 | -8.1 | -174.3 | -61.1 | 177 | 0 | 0 | 0 | 114.9 | Q297 D299 P300 | Q297-L302 HydrophobicContact CB-CD1 4.12Å; Q297-L302 VanDerWaalsContact OE1-CD1 3.28Å; D299-L302 HydrophobicContact CB-CD1 3.9Å; D299-L302 HydrophobicContact CB-CG 3.99Å; D299-L302 PolarHBondContact O-N 2.75Å; P300-L302 PolarHBondContact O-N 2.75Å |
| 303 | Y | 91.5 | Very high | 88.6 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | trans | -114.8 | 121.4 | -175.4 | -49.5 | -87.2 | 0 | 0 | 0 | 111.8 | L283 V296 Q297 D299 F305 I306 N307 C350 | L283-Y303 HydrophobicContact CD1-CD2 4.03Å; L283-Y303 HydrophobicContact CD1-CE2 3.62Å; L283-Y303 HydrophobicContact CD2-CE2 4.21Å; V296-Y303 WeakPolarHBondContact CA-OH 3.17Å; V296-Y303 WeakPolarHBondContact CB-OH 3.07Å; Q297-Y303 PolarHBondContact N-OH 2.88Å; Q297-Y303 PolarHBondContact O-OH 3.23Å; D299-Y303 WeakPolarHBondContact O-CE2 3.08Å; Y303-F305 VanDerWaalsContact C-N 3.25Å; Y303-F305 PolarHBondContact O-N 2.67Å; Y303-F305 VanDerWaalsContact O-N 3.16Å; Y303-I306 HydrophobicContact CD2-CD1 4.21Å; Y303-I306 HydrophobicContact CG-CD1 4.33Å; Y303-I306 PolarHBondContact O-N 3.34Å; Y303-N307 VanDerWaalsContact O-CG 3.25Å; Y303-N307 PolarHBondContact O-N 3.22Å; Y303-N307 PolarHBondContact O-OD1 3.27Å; Y303-C350 HydrophobicContact CD1-CB 3.66Å; Y303-C350 HydrophobicContact CE1-CB 3.96Å; Y303-C350 HydrophobicContact CG-CB 4.06Å | ||
| 304 | S | 90.5 | Very high | 88.2 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -32.5 | -176.7 | -176.2 | 0 | 0 | 0 | 0 | 114.4 | I306 N307 Q308 E354 | S304-I306 PolarHBondContact O-N 2.77Å; S304-N307 WeakPolarHBondContact CA-OD1 3.47Å; S304-N307 PolarHBondContact O-OD1 2.81Å; S304-Q308 PolarHBondContact O-NE2 2.73Å; S304-E354 VanDerWaalsContact CB-OE1 3.32Å; S304-E354 WeakPolarHBondContact CB-OE1 3.18Å; S304-E354 PolarHBondContact N-OE1 3.44Å |
| 305 | F | 91.8 | Very high | 87.4 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 8% | 0.075 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -0.9 | 177.2 | -69.2 | -7 | 0 | 0 | 0 | 114.1 | V267 Q269 N275 Y303 I349 M352 A421 | V267-F305 HydrophobicContact CG1-CD1 4.12Å; V267-F305 HydrophobicContact CG1-CE1 3.79Å; V267-F305 HydrophobicContact CG1-CZ 4.17Å; V267-F305 HydrophobicContact CG2-CE2 4.29Å; V267-F305 HydrophobicContact CG2-CZ 4.33Å; Q269-F305 PolarHBondContact NE2-O 2.75Å; N275-F305 PolarHBondContact ND2-O 3.26Å; Y303-F305 VanDerWaalsContact C-N 3.25Å; Y303-F305 PolarHBondContact O-N 2.67Å; Y303-F305 VanDerWaalsContact O-N 3.16Å; F305-I349 HydrophobicContact CD2-CG2 4.16Å; F305-I349 WeakPolarHBondContact CD2-O 3.21Å; F305-M352 HydrophobicContact CE2-CB 4.06Å; F305-A421 HydrophobicContact CE2-CB 3.9Å |
| 306 | I | 90.3 | Very high | 87 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | -33.9 | -175.1 | -60.9 | -179.2 | 0 | 0 | 0 | 111.4 | F279 Y280 L283 P300 Y303 S304 Q308 L311 C350 | F279-I306 HydrophobicContact CB-CD1 4.06Å; F279-I306 HydrophobicContact CD1-CD1 4.35Å; F279-I306 HydrophobicContact CG-CD1 4.38Å; Y280-I306 HydrophobicContact CD1-CG2 4.25Å; Y280-I306 HydrophobicContact CE1-CG2 3.42Å; Y280-I306 VanDerWaalsContact CE1-CG2 3.42Å; Y280-I306 HydrophobicContact CE2-CG2 4.4Å; Y280-I306 WeakPolarHBondContact OH-CG2 3.04Å; Y280-I306 PolarHBondContact OH-O 2.84Å; L283-I306 HydrophobicContact CD1-CD1 4.42Å; P300-I306 HydrophobicContact CB-CG2 3.96Å; Y303-I306 HydrophobicContact CD2-CD1 4.21Å; Y303-I306 HydrophobicContact CG-CD1 4.33Å; Y303-I306 PolarHBondContact O-N 3.34Å; S304-I306 PolarHBondContact O-N 2.77Å; I306-Q308 PolarHBondContact O-N 3.02Å; I306-L311 HydrophobicContact CG2-CD2 4.45Å; I306-C350 HydrophobicContact CD1-CB 4.33Å |
| 307 | N | 87.6 | Confident | 87 | Confident | 70 Ų | 70 | 60.7 Ų | 60.7 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 0.5 | -172.2 | 71.4 | 9.5 | 0 | 0 | 0 | 116 | A301 Y303 S304 G309 | A301-N307 WeakPolarHBondContact O-CB 3.11Å; A301-N307 PolarHBondContact O-ND2 3.43Å; Y303-N307 VanDerWaalsContact O-CG 3.25Å; Y303-N307 PolarHBondContact O-N 3.22Å; Y303-N307 PolarHBondContact O-OD1 3.27Å; S304-N307 WeakPolarHBondContact CA-OD1 3.47Å; S304-N307 PolarHBondContact O-OD1 2.81Å; N307-G309 VanDerWaalsContact C-N 3.34Å |
| 308 | Q | 84.1 | Confident | 87.2 | Confident | 80 Ų | 80 | 55.9 Ų | 55.9 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -30.1 | 170.6 | -66 | 166.9 | 58.2 | 0 | 0 | 111.8 | V267 S268 S304 I306 | V267-Q308 PolarHBondContact O-NE2 2.73Å; S268-Q308 VanDerWaalsContact CB-OE1 3.27Å; S268-Q308 PolarHBondContact OG-OE1 2.93Å; S304-Q308 PolarHBondContact O-NE2 2.73Å; I306-Q308 PolarHBondContact O-N 3.02Å |
| 309 | G | 81.9 | Confident | 87.5 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 14% | 0.144 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -95.5 | -174.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E273 N307 | E273-G309 CarbonylContact O-C 3.56Å; E273-G309 WeakPolarHBondContact O-CA 2.88Å; N307-G309 VanDerWaalsContact C-N 3.34Å |
| 310 | E | 86.4 | Confident | 87.6 | Confident | 82 Ų | 82 | 55 Ų | 55 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | trans | -74.2 | 130.2 | 172.4 | -165 | 124.6 | 108.9 | 0 | 0 | 111.3 | K227 E273 R274 | K227-E310 IonicContact NZ-OE1 2.61Å; K227-E310 PolarHBondContact NZ-OE1 3.4Å; E273-E310 PolarHBondContact O-N 2.63Å; R274-E310 WeakPolarHBondContact CG-O 3.38Å | ||
| 311 | L | 88.8 | Confident | 87.8 | Confident | 54 Ų | 54 | 57.2 Ų | 57.2 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -79.5 | -19.7 | -175.6 | -57 | -175.9 | 0 | 0 | 0 | 113.8 | R274 Y280 P300 A301 I306 | R274-L311 PolarHBondContact NE-O 3.05Å; R274-L311 PolarHBondContact NH2-O 3.44Å; Y280-L311 HydrophobicContact CE1-CD2 4.31Å; P300-L311 HydrophobicContact CB-CD2 4.21Å; A301-L311 HydrophobicContact CB-CD1 3.72Å; I306-L311 HydrophobicContact CG2-CD2 4.45Å |
| 312 | T | 87.4 | Confident | 88 | Confident | 91 Ų | 91 | 55.4 Ų | 55.4 | 56% | 0.558 | 32% | 0.318 | S | S | * | . | trans | -126.5 | 159.1 | -171.2 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | K227 | K227-T312 PolarHBondContact NZ-O 3.39Š| ||
| 313 | I | 86.4 | Confident | 88.2 | Confident | 16 Ų | 16 | 55.9 Ų | 55.9 | 8% | 0.082 | 32% | 0.316 | C | S | . | . | trans | -122.2 | 130.8 | 175.6 | -59.8 | -179.9 | 0 | 0 | 0 | 109.7 | K227 N232 R274 H277 G315 V316 | K227-I313 HydrophobicContact CB-CD1 4.33Å; K227-I313 HydrophobicContact CB-CG1 4.32Å; K227-I313 HydrophobicContact CD-CG1 4.11Å; N232-I313 HydrophobicContact CB-CG2 3.9Å; R274-I313 VanDerWaalsContact NH1-CD1 3.28Å; H277-I313 WeakPolarHBondContact CE1-CD1 3.06Å; I313-G315 PolarHBondContact O-N 3.18Å; I313-V316 HydrophobicContact CB-CB 4.26Å; I313-V316 HydrophobicContact CG2-CB 4Å; I313-V316 HydrophobicContact CG2-CG2 3.82Å | ||
| 314 | D | 81.6 | Confident | 88.2 | Confident | 112 Ų | 112 | 58.7 Ų | 58.7 | 60% | 0.599 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 118.1 | 177.1 | -45.7 | -79.7 | 0 | 0 | 0 | 110.5 | K227 | K227-D314 IonicContact NZ-OD2 2.63Š|
| 315 | G | 76.5 | Confident | 88.2 | Confident | 89 Ų | 89 | 56.5 Ų | 56.5 | 92% | 0.918 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 15.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | I313 | I313-G315 PolarHBondContact O-N 3.18Š|
| 316 | V | 83.5 | Confident | 88.2 | Confident | 62 Ų | 62 | 56 Ų | 56 | 38% | 0.376 | 31% | 0.314 | S | S | . | . | trans | -131.3 | 133.5 | 176.7 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | I313 E321 | I313-V316 HydrophobicContact CB-CB 4.26Å; I313-V316 HydrophobicContact CG2-CB 4Å; I313-V316 HydrophobicContact CG2-CG2 3.82Å; V316-E321 HydrophobicContact CG1-CG 3.62Å | ||
| 317 | D | 89.4 | Confident | 88.3 | Confident | 96 Ų | 96 | 60 Ų | 60 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | trans | -101.4 | 113.7 | 171.6 | -177.9 | 1.1 | 0 | 0 | 0 | 110.1 | S319 E320 E321 | D317-S319 PolarHBondContact O-N 3.02Å; D317-S319 VanDerWaalsContact O-N 3.14Å; D317-S319 VanDerWaalsContact OD1-CB 3.25Å; D317-S319 WeakPolarHBondContact OD1-CB 3.13Å; D317-S319 PolarHBondContact OD1-N 3.02Å; D317-E320 HydrophobicContact CB-CB 4.27Å; D317-E320 PolarHBondContact O-N 3.46Å; D317-E321 PolarHBondContact O-N 2.8Å | ||
| 318 | D | 91.8 | Very high | 88.5 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 14% | 0.144 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.9 | -25 | 176.2 | -65.5 | -65.2 | 0 | 0 | 0 | 112.8 | R274 Q281 M322 | R274-D318 IonicContact CZ-OD1 3.9Å; R274-D318 IonicContact CZ-OD2 2.62Å; R274-D318 IonicContact NH1-OD1 2.87Å; R274-D318 PolarHBondContact NH1-OD1 2.82Å; R274-D318 IonicContact NH1-OD2 3.45Å; R274-D318 IonicContact NH2-OD1 3.61Å; R274-D318 PolarHBondContact NH2-OD1 2.81Å; R274-D318 IonicContact NH2-OD2 3.14Å; R274-D318 PolarHBondContact NH2-OD2 3.46Å; Q281-D318 HydrophobicContact CG-CB 4.46Å; D318-M322 WeakPolarHBondContact O-CB 3.02Å; D318-M322 PolarHBondContact O-N 2.84Å |
| 319 | S | 91.9 | Very high | 88.8 | Confident | 21 Ų | 21 | 52.9 Ų | 52.9 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75.8 | -29.3 | 176 | -172.5 | 0 | 0 | 0 | 0 | 113.4 | T285 Y286 D317 | T285-S319 WeakPolarHBondContact OG1-CB 3.39Å; T285-S319 PolarHBondContact OG1-OG 2.76Å; T285-S319 VanDerWaalsContact OG1-OG 3.05Å; Y286-S319 WeakPolarHBondContact CB-O 3.25Å; Y286-S319 VanDerWaalsContact CB-OG 3.3Å; Y286-S319 WeakPolarHBondContact CB-OG 2.86Å; Y286-S319 PolarHBondContact N-OG 2.88Å; D317-S319 PolarHBondContact O-N 3.02Å; D317-S319 VanDerWaalsContact O-N 3.14Å; D317-S319 VanDerWaalsContact OD1-CB 3.25Å; D317-S319 WeakPolarHBondContact OD1-CB 3.13Å; D317-S319 PolarHBondContact OD1-N 3.02Å |
| 320 | E | 91.9 | Very high | 89.2 | Confident | 123 Ų | 123 | 58.1 Ų | 58.1 | 58% | 0.575 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -79.1 | -44.9 | 173.3 | -173.1 | 171.3 | -168.7 | 0 | 0 | 109.8 | D317 M322 K323 L324 | D317-E320 HydrophobicContact CB-CB 4.27Å; D317-E320 PolarHBondContact O-N 3.46Å; E320-M322 PolarHBondContact O-N 3.01Å; E320-K323 WeakPolarHBondContact O-CB 3.3Å; E320-K323 PolarHBondContact O-N 3.42Å; E320-K323 VanDerWaalsContact O-N 3.11Å; E320-L324 WeakPolarHBondContact O-CG 3.41Å; E320-L324 PolarHBondContact O-N 2.83Å |
| 321 | E | 91.2 | Very high | 89.2 | Confident | 73 Ų | 73 | 56 Ų | 56 | 34% | 0.341 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 177.8 | -64.8 | -67.4 | 156.4 | 0 | 0 | 112.5 | Q281 V316 D317 K323 L324 C325 | Q281-E321 HydrophobicContact CG-CB 4.27Å; V316-E321 HydrophobicContact CG1-CG 3.62Å; D317-E321 PolarHBondContact O-N 2.8Å; E321-K323 VanDerWaalsContact C-N 3.29Å; E321-K323 PolarHBondContact O-N 3.28Å; E321-L324 PolarHBondContact O-N 3.42Å; E321-C325 WeakPolarHBondContact O-CB 2.95Å; E321-C325 PolarHBondContact O-N 2.75Å |
| 322 | M | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 172.8 | -175.8 | 62.1 | -152.3 | 0 | 0 | 112.1 | I278 Q281 L282 Y286 Y290 D318 E320 C325 D326 F343 | I278-M322 HydrophobicContact CD1-SD 4.48Å; Q281-M322 VanDerWaalsContact C-SD 3.59Å; Q281-M322 HydrophobicContact CB-CB 3.81Å; Q281-M322 HydrophobicContact CB-CG 4.28Å; Q281-M322 HydrophobicContact CB-SD 3.76Å; Q281-M322 HydrophobicContact CG-CB 4.4Å; Q281-M322 WeakPolarHBondContact O-CB 3.05Å; Q281-M322 VanDerWaalsContact O-CG 3.23Å; Q281-M322 WeakPolarHBondContact O-CG 2.97Å; L282-M322 HydrophobicContact CD2-CE 3.64Å; L282-M322 HydrophobicContact CD2-SD 4.03Å; L282-M322 HydrophobicContact CG-CE 4.47Å; L282-M322 HydrophobicContact CG-SD 4.26Å; Y286-M322 HydrophobicContact CD1-CB 4.21Å; Y286-M322 HydrophobicContact CD1-CG 3.8Å; Y290-M322 HydrophobicContact CD2-CE 4.46Å; Y290-M322 HydrophobicContact CE2-CE 4.15Å; D318-M322 WeakPolarHBondContact O-CB 3.02Å; D318-M322 PolarHBondContact O-N 2.84Å; E320-M322 PolarHBondContact O-N 3.01Å; M322-C325 PolarHBondContact O-N 3.48Å; M322-D326 WeakPolarHBondContact O-CB 3.3Å; M322-D326 PolarHBondContact O-N 3.17Å; M322-F343 HydrophobicContact CE-CE1 4.3Å; M322-F343 HydrophobicContact CE-CE2 4.07Å; M322-F343 HydrophobicContact CE-CZ 3.75Å |
| 323 | K | 93.4 | Very high | 89.2 | Confident | 88 Ų | 88 | 51.1 Ų | 51.1 | 38% | 0.383 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 176.5 | -179.5 | -167.7 | 163.4 | -161.2 | 0 | 110.8 | Y286 E320 E321 C325 D326 E327 | Y286-K323 HydrophobicContact CD1-CB 4.11Å; Y286-K323 HydrophobicContact CD2-CB 4.01Å; Y286-K323 HydrophobicContact CD2-CG 4.3Å; Y286-K323 HydrophobicContact CE1-CB 3.98Å; Y286-K323 HydrophobicContact CE1-CG 4.35Å; Y286-K323 HydrophobicContact CE2-CB 3.88Å; Y286-K323 HydrophobicContact CE2-CD 4.25Å; Y286-K323 HydrophobicContact CE2-CG 3.73Å; Y286-K323 HydrophobicContact CG-CB 4.13Å; E320-K323 WeakPolarHBondContact O-CB 3.3Å; E320-K323 PolarHBondContact O-N 3.42Å; E320-K323 VanDerWaalsContact O-N 3.11Å; E321-K323 VanDerWaalsContact C-N 3.29Å; E321-K323 PolarHBondContact O-N 3.28Å; K323-C325 VanDerWaalsContact C-N 3.28Å; K323-C325 PolarHBondContact O-N 2.96Å; K323-D326 PolarHBondContact O-N 2.9Å; K323-E327 WeakPolarHBondContact CE-OE1 3.43Å; K323-E327 IonicContact NZ-OE1 3.53Å; K323-E327 WeakPolarHBondContact O-CG 3.07Å; K323-E327 PolarHBondContact O-N 2.81Å |
| 324 | L | 91.3 | Very high | 89.4 | Confident | 70 Ų | 70 | 51.1 Ų | 51.1 | 37% | 0.366 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 176.2 | -66.8 | 173.4 | 0 | 0 | 0 | 111.9 | E320 E321 A328 | E320-L324 WeakPolarHBondContact O-CG 3.41Å; E320-L324 PolarHBondContact O-N 2.83Å; E321-L324 PolarHBondContact O-N 3.42Å; L324-A328 VanDerWaalsContact O-CB 3.24Å; L324-A328 WeakPolarHBondContact O-CB 2.93Å; L324-A328 PolarHBondContact O-N 3.25Å |
| 325 | C | 92.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 175.4 | -167.7 | 0 | 0 | 0 | 0 | 112.1 | E321 M322 K323 A328 F329 | E321-C325 WeakPolarHBondContact O-CB 2.95Å; E321-C325 PolarHBondContact O-N 2.75Å; M322-C325 PolarHBondContact O-N 3.48Å; K323-C325 VanDerWaalsContact C-N 3.28Å; K323-C325 PolarHBondContact O-N 2.96Å; C325-A328 PolarHBondContact O-N 2.84Å; C325-F329 WeakPolarHBondContact O-CD2 3.25Å; C325-F329 PolarHBondContact O-N 2.82Å |
| 326 | D | 91.7 | Very high | 90.4 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 178.7 | -169.6 | 50.2 | 0 | 0 | 0 | 113 | Y286 K289 Y290 M322 K323 A328 F329 E330 K339 | Y286-D326 HydrophobicContact CE1-CB 4.2Å; Y286-D326 PolarHBondContact OH-OD2 3.44Å; K289-D326 IonicContact NZ-OD2 3.41Å; K289-D326 PolarHBondContact NZ-OD2 3.4Å; Y290-D326 PolarHBondContact OH-OD1 2.81Å; M322-D326 WeakPolarHBondContact O-CB 3.3Å; M322-D326 PolarHBondContact O-N 3.17Å; K323-D326 PolarHBondContact O-N 2.9Å; D326-A328 VanDerWaalsContact C-N 3.34Å; D326-F329 PolarHBondContact O-N 2.96Å; D326-E330 PolarHBondContact O-N 2.76Å; D326-K339 VanDerWaalsContact OD1-CD 3.26Å; D326-K339 WeakPolarHBondContact OD1-CD 3.36Å; D326-K339 VanDerWaalsContact OD1-CE 3.29Å; D326-K339 WeakPolarHBondContact OD1-CE 3.41Å; D326-K339 IonicContact OD1-NZ 3.14Å; D326-K339 PolarHBondContact OD1-NZ 2.76Å; D326-K339 IonicContact OD2-NZ 2.62Å |
| 327 | E | 91 | Very high | 90.7 | Very high | 86 Ų | 86 | 53.4 Ų | 53.4 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 172.9 | -71.8 | 178.8 | 171.7 | 0 | 0 | 111.5 | K323 E330 V331 | K323-E327 WeakPolarHBondContact CE-OE1 3.43Å; K323-E327 IonicContact NZ-OE1 3.53Å; K323-E327 WeakPolarHBondContact O-CG 3.07Å; K323-E327 PolarHBondContact O-N 2.81Å; E327-E330 PolarHBondContact O-N 2.77Å; E327-V331 PolarHBondContact O-N 3.38Å |
| 328 | A | 91.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -37.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q215 P218 V219 L324 C325 D326 E330 V331 L332 | Q215-A328 HydrophobicContact CB-CB 4.18Å; P218-A328 HydrophobicContact CB-CB 4.14Å; V219-A328 HydrophobicContact CG2-CB 3.82Å; L324-A328 VanDerWaalsContact O-CB 3.24Å; L324-A328 WeakPolarHBondContact O-CB 2.93Å; L324-A328 PolarHBondContact O-N 3.25Å; C325-A328 PolarHBondContact O-N 2.84Å; D326-A328 VanDerWaalsContact C-N 3.34Å; A328-E330 VanDerWaalsContact C-N 3.29Å; A328-E330 PolarHBondContact O-N 2.72Å; A328-V331 PolarHBondContact O-N 3.4Å; A328-L332 WeakPolarHBondContact O-CB 3.15Å; A328-L332 WeakPolarHBondContact O-CD1 3.04Å; A328-L332 VanDerWaalsContact O-CG 3.26Å; A328-L332 WeakPolarHBondContact O-CG 3.3Å; A328-L332 PolarHBondContact O-N 3.18Å |
| 329 | F | 91.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.1 | -38.3 | 173.2 | -83.5 | -65.4 | 0 | 0 | 0 | 112.6 | V219 Y223 C325 D326 G333 F334 K339 L342 F343 L432 | V219-F329 HydrophobicContact CG1-CD1 4.32Å; V219-F329 HydrophobicContact CG1-CE1 3.63Å; V219-F329 HydrophobicContact CG1-CE2 4.37Å; V219-F329 HydrophobicContact CG1-CZ 3.66Å; V219-F329 HydrophobicContact CG2-CD1 4.17Å; V219-F329 HydrophobicContact CG2-CD2 4.18Å; V219-F329 HydrophobicContact CG2-CE1 4.22Å; V219-F329 HydrophobicContact CG2-CE2 4.21Å; V219-F329 HydrophobicContact CG2-CG 4.15Å; V219-F329 HydrophobicContact CG2-CZ 4.24Å; Y223-F329 HydrophobicContact CE2-CZ 4.08Å; C325-F329 WeakPolarHBondContact O-CD2 3.25Å; C325-F329 PolarHBondContact O-N 2.82Å; D326-F329 PolarHBondContact O-N 2.96Å; F329-G333 PolarHBondContact O-N 2.95Å; F329-F334 HydrophobicContact CB-CB 4.42Å; F329-F334 HydrophobicContact CD1-CB 4.08Å; F329-F334 AromaticContact CD1-CD1 3.9Å; F329-F334 HydrophobicContact CD1-CD1 3.9Å; F329-F334 AromaticContact CD1-CD2 3.76Å; F329-F334 HydrophobicContact CD1-CD2 3.76Å; F329-F334 HydrophobicContact CD1-CE1 4.23Å; F329-F334 HydrophobicContact CD1-CE2 4.11Å; F329-F334 AromaticContact CD1-CG 3.64Å; F329-F334 HydrophobicContact CD1-CG 3.64Å; F329-F334 HydrophobicContact CD1-CZ 4.33Å; F329-F334 HydrophobicContact CE1-CD1 4.07Å; F329-F334 HydrophobicContact CE1-CD2 4.44Å; F329-F334 HydrophobicContact CE1-CE1 4.04Å; F329-F334 HydrophobicContact CE1-CE2 4.42Å; F329-F334 HydrophobicContact CE1-CG 4.27Å; F329-F334 HydrophobicContact CE1-CZ 4.22Å; F329-F334 PolarHBondContact O-N 3.49Å; F329-F334 VanDerWaalsContact O-N 3.1Å; F329-K339 HydrophobicContact CB-CD 3.8Å; F329-K339 HydrophobicContact CD2-CD 4.21Å; F329-K339 HydrophobicContact CD2-CG 4.39Å; F329-K339 HydrophobicContact CG-CD 4.12Å; F329-K339 HydrophobicContact CG-CG 4.4Å; F329-L342 HydrophobicContact CE1-CD1 3.62Å; F329-L342 HydrophobicContact CZ-CD1 3.87Å; F329-F343 HydrophobicContact CD2-CZ 4.27Å; F329-F343 AromaticContact CE2-CE1 3.86Å; F329-F343 HydrophobicContact CE2-CE1 3.86Å; F329-F343 HydrophobicContact CE2-CZ 4.04Å; F329-F343 HydrophobicContact CZ-CE1 4.43Å; F329-L432 HydrophobicContact CE1-CD1 3.92Å; F329-L432 HydrophobicContact CZ-CD1 4.34Å |
| 330 | E | 88.7 | Confident | 90.9 | Very high | 123 Ų | 123 | 50.2 Ų | 50.2 | 58% | 0.575 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.9 | -45.1 | 176.6 | -66.7 | -172.5 | -174.2 | 0 | 0 | 111.9 | D326 E327 A328 L332 G333 K339 | D326-E330 PolarHBondContact O-N 2.76Å; E327-E330 PolarHBondContact O-N 2.77Å; A328-E330 VanDerWaalsContact C-N 3.29Å; A328-E330 PolarHBondContact O-N 2.72Å; E330-L332 VanDerWaalsContact C-N 3.31Å; E330-L332 PolarHBondContact O-N 2.83Å; E330-G333 PolarHBondContact O-N 2.9Å; E330-K339 IonicContact OE1-NZ 2.89Å |
| 331 | V | 87.2 | Confident | 90.9 | Very high | 38 Ų | 38 | 44.8 Ų | 44.8 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -36.2 | 177.6 | 177.1 | 0 | 0 | 0 | 0 | 112 | Q212 Q215 E327 A328 G333 | Q212-V331 HydrophobicContact CG-CG1 4.07Å; Q212-V331 PolarHBondContact NE2-O 2.68Å; Q215-V331 HydrophobicContact CB-CB 4.46Å; Q215-V331 HydrophobicContact CB-CG1 4.3Å; Q215-V331 HydrophobicContact CG-CB 4.26Å; Q215-V331 HydrophobicContact CG-CG1 4Å; E327-V331 PolarHBondContact O-N 3.38Å; A328-V331 PolarHBondContact O-N 3.4Å; V331-G333 PolarHBondContact O-N 3.27Å |
| 332 | L | 89.4 | Confident | 91 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -2.8 | 174.8 | -69.2 | 166.6 | 0 | 0 | 0 | 113.8 | Q212 A216 V219 A328 E330 F334 V436 T439 | Q212-L332 HydrophobicContact CB-CD2 4.38Å; Q212-L332 WeakPolarHBondContact O-CD2 3.49Å; A216-L332 HydrophobicContact CB-CD2 4.36Å; V219-L332 HydrophobicContact CB-CD1 4.27Å; V219-L332 HydrophobicContact CG2-CD1 3.83Å; A328-L332 WeakPolarHBondContact O-CB 3.15Å; A328-L332 WeakPolarHBondContact O-CD1 3.04Å; A328-L332 VanDerWaalsContact O-CG 3.26Å; A328-L332 WeakPolarHBondContact O-CG 3.3Å; A328-L332 PolarHBondContact O-N 3.18Å; E330-L332 VanDerWaalsContact C-N 3.31Å; E330-L332 PolarHBondContact O-N 2.83Å; L332-F334 HydrophobicContact CB-CD2 3.79Å; L332-F334 HydrophobicContact CB-CE2 3.9Å; L332-F334 HydrophobicContact CD1-CE2 4.34Å; L332-F334 PolarHBondContact O-N 2.9Å; L332-V436 HydrophobicContact CD1-CG2 4.4Å; L332-T439 VanDerWaalsContact O-CG2 3.26Å; L332-T439 WeakPolarHBondContact O-CG2 3.24Å; L332-T439 PolarHBondContact O-OG1 2.64Å |
| 333 | G | 87.5 | Confident | 91 | Very high | 43 Ų | 43 | 41.3 Ų | 41.3 | 44% | 0.443 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 36.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F329 E330 V331 R435 | F329-G333 PolarHBondContact O-N 2.95Å; E330-G333 PolarHBondContact O-N 2.9Å; V331-G333 PolarHBondContact O-N 3.27Å; G333-R435 PolarHBondContact O-NH2 3.13Å |
| 334 | F | 90.7 | Very high | 91.1 | Very high | 16 Ų | 16 | 39.2 Ų | 39.2 | 7% | 0.07 | 21% | 0.21 | C | C | . | . | trans | -72.9 | 141.6 | 161.3 | -75.5 | -111.1 | 0 | 0 | 0 | 108.8 | F329 L332 E338 L342 W431 L432 R435 V436 | F329-F334 HydrophobicContact CB-CB 4.42Å; F329-F334 HydrophobicContact CD1-CB 4.08Å; F329-F334 AromaticContact CD1-CD1 3.9Å; F329-F334 HydrophobicContact CD1-CD1 3.9Å; F329-F334 AromaticContact CD1-CD2 3.76Å; F329-F334 HydrophobicContact CD1-CD2 3.76Å; F329-F334 HydrophobicContact CD1-CE1 4.23Å; F329-F334 HydrophobicContact CD1-CE2 4.11Å; F329-F334 AromaticContact CD1-CG 3.64Å; F329-F334 HydrophobicContact CD1-CG 3.64Å; F329-F334 HydrophobicContact CD1-CZ 4.33Å; F329-F334 HydrophobicContact CE1-CD1 4.07Å; F329-F334 HydrophobicContact CE1-CD2 4.44Å; F329-F334 HydrophobicContact CE1-CE1 4.04Å; F329-F334 HydrophobicContact CE1-CE2 4.42Å; F329-F334 HydrophobicContact CE1-CG 4.27Å; F329-F334 HydrophobicContact CE1-CZ 4.22Å; F329-F334 PolarHBondContact O-N 3.49Å; F329-F334 VanDerWaalsContact O-N 3.1Å; L332-F334 HydrophobicContact CB-CD2 3.79Å; L332-F334 HydrophobicContact CB-CE2 3.9Å; L332-F334 HydrophobicContact CD1-CE2 4.34Å; L332-F334 PolarHBondContact O-N 2.9Å; F334-E338 HydrophobicContact CD1-CB 4.29Å; F334-L342 HydrophobicContact CD1-CD1 4.23Å; F334-L342 HydrophobicContact CE1-CD1 4.04Å; F334-W431 HydrophobicContact CE1-CH2 4.23Å; F334-W431 AromaticContact CE1-CZ3 3.98Å; F334-W431 HydrophobicContact CE1-CZ3 3.98Å; F334-L432 HydrophobicContact CE1-CD1 3.92Å; F334-L432 HydrophobicContact CZ-CD1 3.83Å; F334-R435 HydrophobicContact CD1-CG 4.08Å; F334-R435 HydrophobicContact CE1-CB 4.06Å; F334-R435 HydrophobicContact CE1-CG 3.41Å; F334-R435 VanDerWaalsContact CE1-CG 3.41Å; F334-R435 HydrophobicContact CE2-CG 4.27Å; F334-R435 HydrophobicContact CZ-CB 3.97Å; F334-R435 HydrophobicContact CZ-CG 3.53Å; F334-V436 HydrophobicContact CE2-CG2 4.05Å; F334-V436 HydrophobicContact CZ-CG2 4.02Å | ||
| 335 | N | 89.3 | Confident | 91.2 | Very high | 78 Ų | 78 | 35.9 Ų | 35.9 | 42% | 0.417 | 19% | 0.193 | S | C | . | . | trans | -84.8 | 161.3 | 170.4 | 70.3 | 58 | 0 | 0 | 0 | 111.1 | D337 E338 K339 | N335-D337 PolarHBondContact O-N 2.78Å; N335-D337 WeakPolarHBondContact OD1-CB 3.17Å; N335-D337 PolarHBondContact OD1-N 3.38Å; N335-D337 VanDerWaalsContact OD1-N 3.09Å; N335-E338 PolarHBondContact N-OE2 2.73Å; N335-E338 VanDerWaalsContact ND2-CD 3.3Å; N335-E338 WeakPolarHBondContact ND2-CG 3.29Å; N335-E338 PolarHBondContact ND2-OE2 2.63Å; N335-E338 VanDerWaalsContact ND2-OE2 3.13Å; N335-E338 PolarHBondContact O-N 2.7Å; N335-E338 PolarHBondContact OD1-N 3.39Å; N335-K339 WeakPolarHBondContact O-CB 3.43Å; N335-K339 PolarHBondContact O-N 3.39Å | ||
| 336 | D | 89.4 | Confident | 91.3 | Very high | 111 Ų | 111 | 35.9 Ų | 35.9 | 59% | 0.594 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -64 | -25.9 | -176.1 | -78.7 | -50.8 | 0 | 0 | 0 | 113.6 | K339 L340 | D336-K339 WeakPolarHBondContact OD1-CE 3.46Å; D336-K339 IonicContact OD1-NZ 2.8Å; D336-K339 PolarHBondContact OD1-NZ 2.6Å; D336-L340 WeakPolarHBondContact O-CB 3.11Å; D336-L340 PolarHBondContact O-N 2.72Å |
| 337 | D | 89.9 | Confident | 91.4 | Very high | 122 Ų | 122 | 35.7 Ų | 35.7 | 65% | 0.652 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -76.3 | -40.8 | 176.5 | -65.5 | -48.7 | 0 | 0 | 0 | 111.9 | N335 S341 | N335-D337 PolarHBondContact O-N 2.78Å; N335-D337 WeakPolarHBondContact OD1-CB 3.17Å; N335-D337 PolarHBondContact OD1-N 3.38Å; N335-D337 VanDerWaalsContact OD1-N 3.09Å; D337-S341 WeakPolarHBondContact O-CB 3.34Å; D337-S341 PolarHBondContact O-N 2.75Å; D337-S341 PolarHBondContact O-OG 3.15Å |
| 338 | E | 91.1 | Very high | 91.5 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 17% | 0.173 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.5 | -49.1 | 169.7 | -75.2 | 174.6 | 138.7 | 0 | 0 | 110.3 | F334 N335 S341 L342 W431 R435 | F334-E338 HydrophobicContact CD1-CB 4.29Å; N335-E338 PolarHBondContact N-OE2 2.73Å; N335-E338 VanDerWaalsContact ND2-CD 3.3Å; N335-E338 WeakPolarHBondContact ND2-CG 3.29Å; N335-E338 PolarHBondContact ND2-OE2 2.63Å; N335-E338 VanDerWaalsContact ND2-OE2 3.13Å; N335-E338 PolarHBondContact O-N 2.7Å; N335-E338 PolarHBondContact OD1-N 3.39Å; E338-S341 PolarHBondContact O-N 3.35Å; E338-L342 WeakPolarHBondContact O-CG 3.36Å; E338-L342 PolarHBondContact O-N 3.38Å; E338-W431 HydrophobicContact CB-CH2 4.18Å; E338-W431 HydrophobicContact CG-CH2 4.09Å; E338-W431 HydrophobicContact CG-CZ2 4.48Å; E338-R435 IonicContact OE1-CZ 3.66Å; E338-R435 IonicContact OE1-NE 2.81Å; E338-R435 PolarHBondContact OE1-NE 2.65Å; E338-R435 IonicContact OE1-NH2 2.68Å; E338-R435 PolarHBondContact OE1-NH2 3.08Å; E338-R435 IonicContact OE2-CZ 3.15Å; E338-R435 IonicContact OE2-NE 3.22Å; E338-R435 PolarHBondContact OE2-NE 2.68Å; E338-R435 IonicContact OE2-NH2 3Å; E338-R435 PolarHBondContact OE2-NH2 2.69Å |
| 339 | K | 92.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -47.8 | 179.4 | -176.5 | 167 | 68.6 | 170.1 | 0 | 111.9 | D326 F329 E330 N335 D336 S341 L342 F343 | D326-K339 VanDerWaalsContact OD1-CD 3.26Å; D326-K339 WeakPolarHBondContact OD1-CD 3.36Å; D326-K339 VanDerWaalsContact OD1-CE 3.29Å; D326-K339 WeakPolarHBondContact OD1-CE 3.41Å; D326-K339 IonicContact OD1-NZ 3.14Å; D326-K339 PolarHBondContact OD1-NZ 2.76Å; D326-K339 IonicContact OD2-NZ 2.62Å; F329-K339 HydrophobicContact CB-CD 3.8Å; F329-K339 HydrophobicContact CD2-CD 4.21Å; F329-K339 HydrophobicContact CD2-CG 4.39Å; F329-K339 HydrophobicContact CG-CD 4.12Å; F329-K339 HydrophobicContact CG-CG 4.4Å; E330-K339 IonicContact OE1-NZ 2.89Å; N335-K339 WeakPolarHBondContact O-CB 3.43Å; N335-K339 PolarHBondContact O-N 3.39Å; D336-K339 WeakPolarHBondContact OD1-CE 3.46Å; D336-K339 IonicContact OD1-NZ 2.8Å; D336-K339 PolarHBondContact OD1-NZ 2.6Å; K339-S341 VanDerWaalsContact C-N 3.34Å; K339-S341 PolarHBondContact O-N 2.73Å; K339-L342 WeakPolarHBondContact O-CB 3.33Å; K339-L342 PolarHBondContact O-N 2.71Å; K339-F343 HydrophobicContact CD-CE2 4.23Å; K339-F343 HydrophobicContact CD-CZ 4.22Å; K339-F343 HydrophobicContact CG-CD2 4.33Å; K339-F343 HydrophobicContact CG-CE1 4.42Å; K339-F343 HydrophobicContact CG-CE2 3.57Å; K339-F343 HydrophobicContact CG-CZ 3.62Å; K339-F343 WeakPolarHBondContact O-CD2 3.44Å; K339-F343 VanDerWaalsContact O-CG 3.25Å; K339-F343 WeakPolarHBondContact O-CG 3.4Å; K339-F343 PolarHBondContact O-N 2.87Å; K339-F343 VanDerWaalsContact O-N 3.12Å |
| 340 | L | 92.3 | Very high | 91.7 | Very high | 33 Ų | 33 | 31.7 Ų | 31.7 | 17% | 0.173 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.6 | -37.1 | 177.5 | -177.4 | 61.5 | 0 | 0 | 0 | 111.8 | K293 L294 D336 F343 K344 | K293-L340 HydrophobicContact CB-CD1 4.3Å; K293-L340 HydrophobicContact CD-CD1 4.2Å; K293-L340 HydrophobicContact CD-CD2 4.18Å; L294-L340 HydrophobicContact CD2-CD1 4.18Å; D336-L340 WeakPolarHBondContact O-CB 3.11Å; D336-L340 PolarHBondContact O-N 2.72Å; L340-F343 PolarHBondContact O-N 3.21Å; L340-K344 WeakPolarHBondContact O-CG 3.09Å; L340-K344 PolarHBondContact O-N 3Å |
| 341 | S | 92.8 | Very high | 91.8 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 6% | 0.063 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -75.2 | -32.5 | -178.7 | -51.1 | 0 | 0 | 0 | 0 | 112.2 | D337 E338 K339 F343 K344 C345 D608 | D337-S341 WeakPolarHBondContact O-CB 3.34Å; D337-S341 PolarHBondContact O-N 2.75Å; D337-S341 PolarHBondContact O-OG 3.15Å; E338-S341 PolarHBondContact O-N 3.35Å; K339-S341 VanDerWaalsContact C-N 3.34Å; K339-S341 PolarHBondContact O-N 2.73Å; S341-F343 VanDerWaalsContact C-N 3.33Å; S341-K344 PolarHBondContact O-N 2.97Å; S341-K344 PolarHBondContact OG-NZ 2.71Å; S341-C345 WeakPolarHBondContact O-CB 3.27Å; S341-C345 PolarHBondContact O-N 3.03Å; S341-C345 PolarHBondContact O-SG 2.67Å; S341-D608 PolarHBondContact OG-OD2 3.49Å |
| 342 | L | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.4 | -48.3 | 163 | -80.2 | 173.1 | 0 | 0 | 0 | 111.2 | F329 F334 E338 K339 C345 T346 M428 W431 L432 L610 | F329-L342 HydrophobicContact CE1-CD1 3.62Å; F329-L342 HydrophobicContact CZ-CD1 3.87Å; F334-L342 HydrophobicContact CD1-CD1 4.23Å; F334-L342 HydrophobicContact CE1-CD1 4.04Å; E338-L342 WeakPolarHBondContact O-CG 3.36Å; E338-L342 PolarHBondContact O-N 3.38Å; K339-L342 WeakPolarHBondContact O-CB 3.33Å; K339-L342 PolarHBondContact O-N 2.71Å; L342-C345 WeakPolarHBondContact O-CB 3.41Å; L342-C345 PolarHBondContact O-N 3.29Å; L342-T346 PolarHBondContact O-N 3.31Å; L342-T346 PolarHBondContact O-OG1 2.82Å; L342-M428 HydrophobicContact CD2-CG 3.61Å; L342-M428 HydrophobicContact CD2-SD 4.02Å; L342-W431 HydrophobicContact CD1-CZ3 4.07Å; L342-W431 HydrophobicContact CD2-CE3 4Å; L342-W431 HydrophobicContact CD2-CZ3 3.87Å; L342-W431 HydrophobicContact CG-CZ3 3.96Å; L342-L432 HydrophobicContact CD1-CD1 3.78Å; L342-L432 HydrophobicContact CD2-CD1 4.37Å; L342-L610 HydrophobicContact CD2-CD2 4.08Å; L342-L610 HydrophobicContact CG-CD2 4.16Å |
| 343 | F | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67 | -38.7 | -179.7 | -59 | -21.3 | 0 | 0 | 0 | 112.6 | I278 L282 Y290 L294 M322 F329 K339 L340 S341 C345 T346 T347 | I278-F343 HydrophobicContact CD1-CE1 4.48Å; L282-F343 HydrophobicContact CD1-CB 4.28Å; L282-F343 HydrophobicContact CD1-CD1 4.08Å; L282-F343 HydrophobicContact CD1-CG 4.37Å; L282-F343 HydrophobicContact CD2-CB 4.09Å; L282-F343 HydrophobicContact CD2-CD1 3.76Å; L282-F343 HydrophobicContact CD2-CD2 3.99Å; L282-F343 HydrophobicContact CD2-CE1 4.15Å; L282-F343 HydrophobicContact CD2-CE2 4.36Å; L282-F343 HydrophobicContact CD2-CG 3.68Å; L282-F343 HydrophobicContact CD2-CZ 4.44Å; L282-F343 HydrophobicContact CG-CD1 4.44Å; Y290-F343 AromaticContact CD2-CD2 3.94Å; Y290-F343 HydrophobicContact CD2-CD2 3.94Å; Y290-F343 AromaticContact CD2-CE2 3.95Å; Y290-F343 HydrophobicContact CD2-CE2 3.95Å; Y290-F343 AromaticContact CE2-CD2 3.93Å; Y290-F343 HydrophobicContact CE2-CD2 3.93Å; Y290-F343 AromaticContact CE2-CE2 3.48Å; Y290-F343 HydrophobicContact CE2-CE2 3.48Å; Y290-F343 VanDerWaalsContact CE2-CE2 3.48Å; Y290-F343 HydrophobicContact CE2-CZ 4.5Å; Y290-F343 HydrophobicContact CG-CD2 4.44Å; Y290-F343 AromaticContact CZ-CE2 3.96Å; L294-F343 HydrophobicContact CD1-CB 3.87Å; L294-F343 HydrophobicContact CD2-CB 3.83Å; M322-F343 HydrophobicContact CE-CE1 4.3Å; M322-F343 HydrophobicContact CE-CE2 4.07Å; M322-F343 HydrophobicContact CE-CZ 3.75Å; F329-F343 HydrophobicContact CD2-CZ 4.27Å; F329-F343 AromaticContact CE2-CE1 3.86Å; F329-F343 HydrophobicContact CE2-CE1 3.86Å; F329-F343 HydrophobicContact CE2-CZ 4.04Å; F329-F343 HydrophobicContact CZ-CE1 4.43Å; K339-F343 HydrophobicContact CD-CE2 4.23Å; K339-F343 HydrophobicContact CD-CZ 4.22Å; K339-F343 HydrophobicContact CG-CD2 4.33Å; K339-F343 HydrophobicContact CG-CE1 4.42Å; K339-F343 HydrophobicContact CG-CE2 3.57Å; K339-F343 HydrophobicContact CG-CZ 3.62Å; K339-F343 WeakPolarHBondContact O-CD2 3.44Å; K339-F343 VanDerWaalsContact O-CG 3.25Å; K339-F343 WeakPolarHBondContact O-CG 3.4Å; K339-F343 PolarHBondContact O-N 2.87Å; K339-F343 VanDerWaalsContact O-N 3.12Å; L340-F343 PolarHBondContact O-N 3.21Å; S341-F343 VanDerWaalsContact C-N 3.33Å; F343-C345 VanDerWaalsContact C-N 3.35Å; F343-C345 PolarHBondContact O-N 2.92Å; F343-T346 PolarHBondContact O-N 3.08Å; F343-T347 PolarHBondContact O-N 2.8Å; F343-T347 PolarHBondContact O-OG1 2.67Å |
| 344 | K | 94.4 | Very high | 92.4 | Very high | 45 Ų | 45 | 24.4 Ų | 24.4 | 20% | 0.196 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.5 | -46.3 | 171.5 | -68.8 | 175.8 | -156.2 | 140.3 | 0 | 111.4 | L294 L340 S341 T347 S348 L380 D608 | L294-K344 HydrophobicContact CD2-CB 4.46Å; L294-K344 HydrophobicContact CD2-CG 4.13Å; L340-K344 WeakPolarHBondContact O-CG 3.09Å; L340-K344 PolarHBondContact O-N 3Å; S341-K344 PolarHBondContact O-N 2.97Å; S341-K344 PolarHBondContact OG-NZ 2.71Å; K344-T347 PolarHBondContact O-N 3.01Å; K344-S348 VanDerWaalsContact O-CB 3.28Å; K344-S348 WeakPolarHBondContact O-CB 2.97Å; K344-S348 PolarHBondContact O-N 2.71Å; K344-L380 HydrophobicContact CB-CB 4.38Å; K344-L380 HydrophobicContact CB-CD2 4.27Å; K344-L380 WeakPolarHBondContact CD-O 3.43Å; K344-L380 HydrophobicContact CG-CD2 4.14Å; K344-D608 IonicContact NZ-OD2 2.62Å; K344-D608 PolarHBondContact NZ-OD2 3.47Å |
| 345 | C | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 178 | -73.7 | 0 | 0 | 0 | 0 | 110.6 | S341 L342 F343 S348 I349 L424 M428 | S341-C345 WeakPolarHBondContact O-CB 3.27Å; S341-C345 PolarHBondContact O-N 3.03Å; S341-C345 PolarHBondContact O-SG 2.67Å; L342-C345 WeakPolarHBondContact O-CB 3.41Å; L342-C345 PolarHBondContact O-N 3.29Å; F343-C345 VanDerWaalsContact C-N 3.35Å; F343-C345 PolarHBondContact O-N 2.92Å; C345-S348 PolarHBondContact O-N 2.92Å; C345-S348 PolarHBondContact O-OG 3.32Å; C345-I349 PolarHBondContact O-N 2.71Å; C345-L424 HydrophobicContact CB-CD1 4.22Å; C345-M428 HydrophobicContact CB-CE 4.39Å; C345-M428 HydrophobicContact CB-SD 3.44Å; C345-M428 WeakPolarHBondContact CB-SD 3.43Å |
| 346 | T | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.7 | -50.4 | 174.5 | -52.4 | 0 | 0 | 0 | 0 | 112.4 | Y223 I278 F279 L282 L342 F343 S348 I349 | Y223-T346 WeakPolarHBondContact CE1-OG1 3.16Å; Y223-T346 PolarHBondContact OH-OG1 3.24Å; Y223-T346 VanDerWaalsContact OH-OG1 3.11Å; I278-T346 HydrophobicContact CG1-CG2 4.26Å; I278-T346 HydrophobicContact CG2-CG2 4.14Å; F279-T346 HydrophobicContact CD1-CG2 3.54Å; F279-T346 HydrophobicContact CE1-CG2 3.52Å; F279-T346 HydrophobicContact CG-CG2 4.37Å; F279-T346 HydrophobicContact CZ-CG2 4.31Å; L282-T346 HydrophobicContact CD1-CG2 3.75Å; L342-T346 PolarHBondContact O-N 3.31Å; L342-T346 PolarHBondContact O-OG1 2.82Å; F343-T346 PolarHBondContact O-N 3.08Å; T346-S348 VanDerWaalsContact C-N 3.35Å; T346-S348 PolarHBondContact O-N 2.85Å; T346-I349 WeakPolarHBondContact O-CB 2.76Å; T346-I349 PolarHBondContact O-N 3.08Å |
| 347 | T | 93.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -75.7 | -20.7 | -176.9 | 63.9 | 0 | 0 | 0 | 0 | 114.2 | L282 L294 V296 F343 K344 I349 C350 N351 | L282-T347 HydrophobicContact CD1-CG2 4.34Å; L294-T347 HydrophobicContact CB-CG2 3.96Å; L294-T347 HydrophobicContact CD1-CG2 3.92Å; L294-T347 HydrophobicContact CG-CG2 4.36Å; L294-T347 PolarHBondContact O-OG1 3.48Å; L294-T347 VanDerWaalsContact O-OG1 3.11Å; V296-T347 HydrophobicContact CG1-CG2 3.82Å; V296-T347 HydrophobicContact CG2-CG2 4.33Å; F343-T347 PolarHBondContact O-N 2.8Å; F343-T347 PolarHBondContact O-OG1 2.67Å; K344-T347 PolarHBondContact O-N 3.01Å; T347-I349 PolarHBondContact O-N 3.4Å; T347-C350 WeakPolarHBondContact O-CB 3.38Å; T347-C350 PolarHBondContact O-N 2.89Å; T347-N351 PolarHBondContact O-N 2.63Å; T347-N351 PolarHBondContact O-ND2 2.89Å |
| 348 | S | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.7 | -35.8 | 169.5 | 77.9 | 0 | 0 | 0 | 0 | 111.2 | K344 C345 T346 N351 M352 L424 | K344-S348 VanDerWaalsContact O-CB 3.28Å; K344-S348 WeakPolarHBondContact O-CB 2.97Å; K344-S348 PolarHBondContact O-N 2.71Å; C345-S348 PolarHBondContact O-N 2.92Å; C345-S348 PolarHBondContact O-OG 3.32Å; T346-S348 VanDerWaalsContact C-N 3.35Å; T346-S348 PolarHBondContact O-N 2.85Å; S348-N351 PolarHBondContact O-N 3.3Å; S348-M352 WeakPolarHBondContact O-CG 3.49Å; S348-M352 PolarHBondContact O-N 3.45Å; S348-L424 WeakPolarHBondContact OG-CD2 3.43Å |
| 349 | I | 94.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 177.5 | -66.6 | 164.9 | 0 | 0 | 0 | 111.2 | V266 F279 F305 C345 T346 T347 N351 M352 G353 A421 L424 Y425 | V266-I349 HydrophobicContact CG1-CD1 4.48Å; V266-I349 HydrophobicContact CG1-CG2 3.6Å; F279-I349 HydrophobicContact CE1-CB 4.23Å; F279-I349 HydrophobicContact CE1-CG2 4.13Å; F279-I349 HydrophobicContact CZ-CG2 4.09Å; F305-I349 HydrophobicContact CD2-CG2 4.16Å; F305-I349 WeakPolarHBondContact CD2-O 3.21Å; C345-I349 PolarHBondContact O-N 2.71Å; T346-I349 WeakPolarHBondContact O-CB 2.76Å; T346-I349 PolarHBondContact O-N 3.08Å; T347-I349 PolarHBondContact O-N 3.4Å; I349-N351 VanDerWaalsContact C-N 3.31Å; I349-N351 PolarHBondContact O-N 3.46Å; I349-M352 WeakPolarHBondContact O-CB 3.38Å; I349-M352 PolarHBondContact O-N 2.68Å; I349-G353 PolarHBondContact O-N 2.64Å; I349-A421 HydrophobicContact CG2-CB 4.08Å; I349-L424 HydrophobicContact CD1-CB 4.48Å; I349-L424 HydrophobicContact CD1-CD2 4.07Å; I349-L424 HydrophobicContact CD1-CG 4.14Å; I349-L424 HydrophobicContact CG1-CD2 3.8Å; I349-L424 HydrophobicContact CG1-CG 4.4Å; I349-Y425 HydrophobicContact CD1-CD2 3.77Å; I349-Y425 HydrophobicContact CD1-CG 4.34Å |
| 350 | C | 92.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.02 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.8 | -46.1 | 173.7 | -49.4 | 0 | 0 | 0 | 0 | 111.1 | Y303 I306 T347 G353 | Y303-C350 HydrophobicContact CD1-CB 3.66Å; Y303-C350 HydrophobicContact CE1-CB 3.96Å; Y303-C350 HydrophobicContact CG-CB 4.06Å; I306-C350 HydrophobicContact CD1-CB 4.33Å; T347-C350 WeakPolarHBondContact O-CB 3.38Å; T347-C350 PolarHBondContact O-N 2.89Å; C350-G353 PolarHBondContact O-N 3.02Å |
| 351 | N | 91.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -73.6 | -26.6 | 179.7 | -69.1 | -77.5 | 0 | 0 | 0 | 113 | T347 S348 I349 G353 E354 E373 K376 V377 | T347-N351 PolarHBondContact O-N 2.63Å; T347-N351 PolarHBondContact O-ND2 2.89Å; S348-N351 PolarHBondContact O-N 3.3Å; I349-N351 VanDerWaalsContact C-N 3.31Å; I349-N351 PolarHBondContact O-N 3.46Å; N351-G353 VanDerWaalsContact C-N 3.25Å; N351-G353 PolarHBondContact O-N 3.38Å; N351-E354 PolarHBondContact O-N 3.13Å; N351-E373 PolarHBondContact OD1-OE2 3.25Å; N351-K376 VanDerWaalsContact OD1-CD 3.25Å; N351-K376 WeakPolarHBondContact OD1-CD 2.97Å; N351-V377 HydrophobicContact CB-CG2 3.66Å |
| 352 | M | 93.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.9 | -35.4 | 171.8 | -76.6 | 179 | -162.5 | 0 | 0 | 112.2 | F305 S348 I349 E354 M355 V377 L381 V417 L420 A421 L424 | F305-M352 HydrophobicContact CE2-CB 4.06Å; S348-M352 WeakPolarHBondContact O-CG 3.49Å; S348-M352 PolarHBondContact O-N 3.45Å; I349-M352 WeakPolarHBondContact O-CB 3.38Å; I349-M352 PolarHBondContact O-N 2.68Å; M352-E354 PolarHBondContact O-N 2.94Å; M352-M355 HydrophobicContact CG-SD 4.34Å; M352-M355 WeakPolarHBondContact O-CB 3.34Å; M352-M355 PolarHBondContact O-N 3.39Å; M352-V377 HydrophobicContact CE-CG1 3.78Å; M352-V377 HydrophobicContact CG-CG1 3.87Å; M352-V377 HydrophobicContact CG-CG2 3.92Å; M352-L381 HydrophobicContact CE-CD1 3.61Å; M352-V417 HydrophobicContact CB-CG1 3.96Å; M352-V417 HydrophobicContact CG-CG1 4.48Å; M352-L420 HydrophobicContact CE-CD2 3.63Å; M352-L420 HydrophobicContact CE-CG 3.97Å; M352-L420 HydrophobicContact SD-CD2 4.15Å; M352-L420 HydrophobicContact SD-CG 4.21Å; M352-A421 HydrophobicContact SD-CB 4.06Å; M352-L424 HydrophobicContact CE-CD2 3.84Å |
| 353 | G | 90 | Very high | 90.1 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I349 C350 N351 | I349-G353 PolarHBondContact O-N 2.64Å; C350-G353 PolarHBondContact O-N 3.02Å; N351-G353 VanDerWaalsContact C-N 3.25Å; N351-G353 PolarHBondContact O-N 3.38Å |
| 354 | E | 91.9 | Very high | 89.4 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 15% | 0.15 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 2.2 | 178.7 | -65.4 | -53.9 | 123.5 | 0 | 0 | 113.8 | S304 N351 M352 K356 E373 | S304-E354 VanDerWaalsContact CB-OE1 3.32Å; S304-E354 WeakPolarHBondContact CB-OE1 3.18Å; S304-E354 PolarHBondContact N-OE1 3.44Å; N351-E354 PolarHBondContact O-N 3.13Å; M352-E354 PolarHBondContact O-N 2.94Å; E354-K356 PolarHBondContact O-N 2.81Å; E354-K356 WeakPolarHBondContact OE2-CE 3.16Å; E354-K356 IonicContact OE2-NZ 3.83Å; E354-K356 PolarHBondContact OE2-NZ 2.91Å; E354-E373 HydrophobicContact CB-CB 4.5Å; E354-E373 HydrophobicContact CB-CG 4Å |
| 355 | M | 91.6 | Very high | 89 | Confident | 19 Ų | 19 | 55 Ų | 55 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | trans | -68.8 | 97.7 | 174.6 | -68.7 | -179.8 | 56.9 | 0 | 0 | 110.7 | M352 F357 E373 A374 V377 L389 F392 | M352-M355 HydrophobicContact CG-SD 4.34Å; M352-M355 WeakPolarHBondContact O-CB 3.34Å; M352-M355 PolarHBondContact O-N 3.39Å; M355-F357 HydrophobicContact CB-CE2 3.82Å; M355-F357 HydrophobicContact CB-CZ 4.24Å; M355-F357 HydrophobicContact CE-CE2 4.43Å; M355-F357 HydrophobicContact CE-CZ 3.87Å; M355-F357 WeakPolarHBondContact O-CD2 2.9Å; M355-F357 VanDerWaalsContact O-CE2 3.24Å; M355-F357 WeakPolarHBondContact O-CE2 3.37Å; M355-E373 HydrophobicContact CG-CB 4.28Å; M355-A374 HydrophobicContact CE-CB 3.8Å; M355-A374 HydrophobicContact SD-CB 4.37Å; M355-V377 HydrophobicContact SD-CB 4.45Å; M355-V377 HydrophobicContact SD-CG2 4.11Å; M355-L389 HydrophobicContact CE-CD2 4.14Å; M355-F392 HydrophobicContact CE-CD2 4.11Å; M355-F392 HydrophobicContact CE-CE2 3.93Å | ||
| 356 | K | 89.6 | Confident | 88.8 | Confident | 121 Ų | 121 | 55.2 Ų | 55.2 | 53% | 0.526 | 26% | 0.258 | S | S | . | . | trans | -85.3 | 137.2 | -176.8 | -75.4 | 146.9 | -169.3 | 155.9 | 0 | 112 | E354 D369 | E354-K356 PolarHBondContact O-N 2.81Å; E354-K356 WeakPolarHBondContact OE2-CE 3.16Å; E354-K356 IonicContact OE2-NZ 3.83Å; E354-K356 PolarHBondContact OE2-NZ 2.91Å; K356-D369 HydrophobicContact CB-CB 4.28Å; K356-D369 PolarHBondContact O-N 2.88Å | ||
| 357 | F | 91.3 | Very high | 88.6 | Confident | 28 Ų | 28 | 58 Ų | 58 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.5 | -180 | -61.1 | -82.6 | 0 | 0 | 0 | 109.8 | M355 E367 A368 L389 L393 L410 V413 V417 | M355-F357 HydrophobicContact CB-CE2 3.82Å; M355-F357 HydrophobicContact CB-CZ 4.24Å; M355-F357 HydrophobicContact CE-CE2 4.43Å; M355-F357 HydrophobicContact CE-CZ 3.87Å; M355-F357 WeakPolarHBondContact O-CD2 2.9Å; M355-F357 VanDerWaalsContact O-CE2 3.24Å; M355-F357 WeakPolarHBondContact O-CE2 3.37Å; F357-E367 CarbonylContact C-O 3.49Å; F357-E367 WeakPolarHBondContact CA-O 3.25Å; F357-A368 HydrophobicContact CD1-CB 4.26Å; F357-A368 HydrophobicContact CE1-CB 4.24Å; F357-L389 HydrophobicContact CE1-CD2 4.22Å; F357-L389 HydrophobicContact CZ-CD2 4.46Å; F357-L393 HydrophobicContact CD1-CD2 3.83Å; F357-L393 HydrophobicContact CE1-CD2 3.89Å; F357-L393 HydrophobicContact CE1-CG 4.47Å; F357-L410 HydrophobicContact CB-CD1 3.55Å; F357-L410 WeakPolarHBondContact O-CD1 3.11Å; F357-V413 HydrophobicContact CD1-CG1 3.71Å; F357-V413 HydrophobicContact CD2-CG1 3.77Å; F357-V413 HydrophobicContact CE1-CG1 3.62Å; F357-V413 HydrophobicContact CE2-CG1 3.69Å; F357-V413 HydrophobicContact CG-CG1 3.77Å; F357-V413 HydrophobicContact CZ-CG1 3.6Å; F357-V417 HydrophobicContact CE2-CG2 3.96Å; F357-V417 HydrophobicContact CZ-CG2 4.24Å |
| 358 | K | 90.7 | Very high | 88.4 | Confident | 83 Ų | 83 | 59.3 Ų | 59.3 | 36% | 0.361 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 146.9 | 178.5 | 61.7 | -170.8 | 167.9 | -160.2 | 0 | 111.7 | A366 E367 D369 | K358-A366 WeakPolarHBondContact O-CA 3.07Å; K358-E367 HydrophobicContact CD-CG 4.33Å; K358-E367 WeakPolarHBondContact CE-OE1 3.11Å; K358-E367 HydrophobicContact CG-CG 3.65Å; K358-E367 PolarHBondContact N-O 2.97Å; K358-E367 PolarHBondContact O-N 3.17Å; K358-D369 HydrophobicContact CB-CB 4.49Å; K358-D369 HydrophobicContact CD-CB 4.05Å; K358-D369 WeakPolarHBondContact CE-OD1 3.15Å; K358-D369 HydrophobicContact CG-CB 4.24Å; K358-D369 IonicContact NZ-OD1 2.7Å; K358-D369 PolarHBondContact NZ-OD1 3.42Å |
| 359 | Q | 89 | Confident | 88.1 | Confident | 74 Ų | 74 | 63.5 Ų | 63.5 | 35% | 0.346 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 121.1 | -177.8 | -171.7 | 59.2 | 82 | 0 | 0 | 110.3 | P361 E364 Q365 L410 | Q359-P361 WeakPolarHBondContact O-CD 3.48Å; Q359-E364 PolarHBondContact NE2-O 2.9Å; Q359-Q365 VanDerWaalsContact NE2-C 3.28Å; Q359-Q365 PolarHBondContact NE2-O 2.77Å; Q359-L410 HydrophobicContact CB-CB 4.23Å; Q359-L410 HydrophobicContact CB-CD2 4.2Å |
| 360 | R | 85.2 | Confident | 87.7 | Confident | 86 Ų | 86 | 66 Ų | 66 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | trans | -68.6 | 121.8 | 175.8 | -69.5 | -177.7 | 159.1 | -149.8 | -11.3 | 111 | R362 E363 E364 Q365 E367 | R360-R362 PolarHBondContact O-N 3.21Å; R360-E363 HydrophobicContact CB-CB 4.45Å; R360-E363 WeakPolarHBondContact CD-OE2 3.46Å; R360-E363 IonicContact CZ-OE2 3.43Å; R360-E363 IonicContact NE-OE2 3.89Å; R360-E363 IonicContact NH1-OE1 3.68Å; R360-E363 IonicContact NH1-OE2 3.79Å; R360-E363 PolarHBondContact NH1-OE2 3.45Å; R360-E364 PolarHBondContact O-N 2.8Å; R360-Q365 WeakPolarHBondContact CB-O 3.4Å; R360-Q365 VanDerWaalsContact CG-O 3.29Å; R360-Q365 WeakPolarHBondContact CG-O 3.33Å; R360-Q365 PolarHBondContact N-O 3.47Å; R360-E367 HydrophobicContact CG-CB 4.48Å; R360-E367 HydrophobicContact CG-CG 4.09Å; R360-E367 IonicContact CZ-OE2 2.61Å; R360-E367 IonicContact NE-OE2 2.7Å; R360-E367 PolarHBondContact NE-OE2 2.96Å; R360-E367 IonicContact NH2-OE2 3.63Å; R360-E367 PolarHBondContact NH2-OE2 3.02Å | ||
| 361 | P | 81.3 | Confident | 87.6 | Confident | 135 Ų | 135 | 69 Ų | 69 | 88% | 0.877 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -2.6 | -173.5 | -24.3 | 35.1 | 0 | 0 | 0 | 117.3 | Q359 | Q359-P361 WeakPolarHBondContact O-CD 3.48Š|
| 362 | R | 77.4 | Confident | 87.5 | Confident | 244 Ų | 244 | 71.6 Ų | 71.6 | 92% | 0.921 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | -21.3 | -176.7 | -71.2 | -172.9 | 177.7 | -176 | -0.2 | 115.2 | R360 | R360-R362 PolarHBondContact O-N 3.21Š|
| 363 | E | 77 | Confident | 87.4 | Confident | 100 Ų | 100 | 74 Ų | 74 | 47% | 0.467 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | -7.8 | -168.6 | -63 | -180 | 148.1 | 0 | 0 | 112.4 | R360 Q365 | R360-E363 HydrophobicContact CB-CB 4.45Å; R360-E363 WeakPolarHBondContact CD-OE2 3.46Å; R360-E363 IonicContact CZ-OE2 3.43Å; R360-E363 IonicContact NE-OE2 3.89Å; R360-E363 IonicContact NH1-OE1 3.68Å; R360-E363 IonicContact NH1-OE2 3.79Å; R360-E363 PolarHBondContact NH1-OE2 3.45Å; E363-Q365 HydrophobicContact CB-CB 4.36Å; E363-Q365 HydrophobicContact CB-CG 4.49Å; E363-Q365 PolarHBondContact O-N 3.44Å |
| 364 | E | 80.3 | Confident | 87.4 | Confident | 153 Ų | 153 | 73.4 Ų | 73.4 | 72% | 0.715 | 38% | 0.375 | S | S | * | . | trans | 49.5 | 15.2 | -168.1 | -62.8 | -168.9 | 170.7 | 0 | 0 | 115 | Q359 R360 N409 | Q359-E364 PolarHBondContact NE2-O 2.9Å; R360-E364 PolarHBondContact O-N 2.8Å; E364-N409 VanDerWaalsContact O-CA 3.27Å; E364-N409 WeakPolarHBondContact O-CA 3.22Å; E364-N409 WeakPolarHBondContact O-CB 3.45Å | ||
| 365 | Q | 86.6 | Confident | 87.5 | Confident | 55 Ų | 55 | 76.5 Ų | 76.5 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | trans | -88.4 | 147 | 169.8 | -69.6 | 173.4 | 42.2 | 0 | 0 | 111.7 | Q359 R360 E363 Q408 | Q359-Q365 VanDerWaalsContact NE2-C 3.28Å; Q359-Q365 PolarHBondContact NE2-O 2.77Å; R360-Q365 WeakPolarHBondContact CB-O 3.4Å; R360-Q365 VanDerWaalsContact CG-O 3.29Å; R360-Q365 WeakPolarHBondContact CG-O 3.33Å; R360-Q365 PolarHBondContact N-O 3.47Å; E363-Q365 HydrophobicContact CB-CB 4.36Å; E363-Q365 HydrophobicContact CB-CG 4.49Å; E363-Q365 PolarHBondContact O-N 3.44Å; Q365-Q408 CarbonylContact C-O 3.2Å; Q365-Q408 WeakPolarHBondContact CA-O 3.35Å | ||
| 366 | A | 89.4 | Confident | 87.5 | Confident | 6 Ų | 6 | 78.3 Ų | 78.3 | 5% | 0.05 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 155.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | K358 L393 Q408 V413 | K358-A366 WeakPolarHBondContact O-CA 3.07Å; A366-L393 HydrophobicContact CB-CD2 4Å; A366-Q408 PolarHBondContact N-O 3Å; A366-V413 HydrophobicContact CB-CB 4.35Å; A366-V413 HydrophobicContact CB-CG2 3.82Å |
| 367 | E | 89.3 | Confident | 87.7 | Confident | 59 Ų | 59 | 72.6 Ų | 72.6 | 28% | 0.276 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.7 | 161.4 | 63.8 | -176 | -173.7 | 0 | 0 | 110.6 | F357 K358 R360 | F357-E367 CarbonylContact C-O 3.49Å; F357-E367 WeakPolarHBondContact CA-O 3.25Å; K358-E367 HydrophobicContact CD-CG 4.33Å; K358-E367 WeakPolarHBondContact CE-OE1 3.11Å; K358-E367 HydrophobicContact CG-CG 3.65Å; K358-E367 PolarHBondContact N-O 2.97Å; K358-E367 PolarHBondContact O-N 3.17Å; R360-E367 HydrophobicContact CG-CB 4.48Å; R360-E367 HydrophobicContact CG-CG 4.09Å; R360-E367 IonicContact CZ-OE2 2.61Å; R360-E367 IonicContact NE-OE2 2.7Å; R360-E367 PolarHBondContact NE-OE2 2.96Å; R360-E367 IonicContact NH2-OE2 3.63Å; R360-E367 PolarHBondContact NH2-OE2 3.02Å |
| 368 | A | 89 | Confident | 87.8 | Confident | 27 Ų | 27 | 71.3 Ų | 71.3 | 22% | 0.223 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 135.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | F357 G370 L389 L393 | F357-A368 HydrophobicContact CD1-CB 4.26Å; F357-A368 HydrophobicContact CE1-CB 4.24Å; A368-G370 PolarHBondContact O-N 2.79Å; A368-L389 HydrophobicContact CB-CD2 4.17Å; A368-L393 HydrophobicContact CB-CD1 4.46Å |
| 369 | D | 88.4 | Confident | 87.9 | Confident | 88 Ų | 88 | 74.4 Ų | 74.4 | 47% | 0.471 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -102.6 | 63 | 177.4 | -158.6 | 27.8 | 0 | 0 | 0 | 110.6 | K356 K358 | K356-D369 HydrophobicContact CB-CB 4.28Å; K356-D369 PolarHBondContact O-N 2.88Å; K358-D369 HydrophobicContact CB-CB 4.49Å; K358-D369 HydrophobicContact CD-CB 4.05Å; K358-D369 WeakPolarHBondContact CE-OD1 3.15Å; K358-D369 HydrophobicContact CG-CB 4.24Å; K358-D369 IonicContact NZ-OD1 2.7Å; K358-D369 PolarHBondContact NZ-OD1 3.42Å |
| 370 | G | 86.5 | Confident | 88.2 | Confident | 54 Ų | 54 | 70.9 Ų | 70.9 | 56% | 0.557 | 36% | 0.364 | S | S | * | . | trans | 108.2 | 157.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A368 | A368-G370 PolarHBondContact O-N 2.79Š| ||
| 371 | T | 90.1 | Very high | 88.6 | Confident | 66 Ų | 66 | 66.9 Ų | 66.9 | 41% | 0.405 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -121 | -18.4 | -176 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | E373 A374 E375 L389 | T371-E373 VanDerWaalsContact C-N 3.33Å; T371-E373 PolarHBondContact O-N 3.2Å; T371-A374 CarbonylContact O-C 3.52Å; T371-A374 WeakPolarHBondContact O-CA 3.37Å; T371-A374 WeakPolarHBondContact O-CB 3.18Å; T371-A374 PolarHBondContact O-N 3.16Å; T371-E375 WeakPolarHBondContact CB-OE1 3Å; T371-E375 WeakPolarHBondContact O-CG 3.41Å; T371-E375 PolarHBondContact O-N 2.95Å; T371-E375 PolarHBondContact OG1-OE1 2.95Å; T371-L389 HydrophobicContact CG2-CD1 3.92Å |
| 372 | A | 90.5 | Very high | 89.1 | Confident | 56 Ų | 56 | 61.4 Ų | 61.4 | 46% | 0.463 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -53.7 | -42.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E375 K376 | A372-E375 WeakPolarHBondContact O-CB 3.07Å; A372-E375 PolarHBondContact O-N 2.83Å; A372-K376 WeakPolarHBondContact O-CG 3.11Å; A372-K376 PolarHBondContact O-N 2.94Å |
| 373 | E | 90.4 | Very high | 89.9 | Confident | 52 Ų | 52 | 50.9 Ų | 50.9 | 24% | 0.243 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.3 | -39.4 | 178.3 | -56.1 | -52.1 | 134.1 | 0 | 0 | 111.9 | N351 E354 M355 T371 E375 K376 V377 | N351-E373 PolarHBondContact OD1-OE2 3.25Å; E354-E373 HydrophobicContact CB-CB 4.5Å; E354-E373 HydrophobicContact CB-CG 4Å; M355-E373 HydrophobicContact CG-CB 4.28Å; T371-E373 VanDerWaalsContact C-N 3.33Å; T371-E373 PolarHBondContact O-N 3.2Å; E373-E375 VanDerWaalsContact C-N 3.29Å; E373-E375 PolarHBondContact O-N 3.49Å; E373-K376 PolarHBondContact O-N 3.43Å; E373-K376 WeakPolarHBondContact OE1-CE 2.89Å; E373-K376 IonicContact OE1-NZ 3.77Å; E373-K376 PolarHBondContact OE1-NZ 2.97Å; E373-K376 WeakPolarHBondContact OE2-CE 3.22Å; E373-K376 IonicContact OE2-NZ 2.86Å; E373-K376 PolarHBondContact OE2-NZ 2.65Å; E373-V377 WeakPolarHBondContact O-CG2 3.41Å; E373-V377 PolarHBondContact O-N 2.63Å |
| 374 | A | 90.5 | Very high | 90.6 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -31 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M355 T371 A378 L389 | M355-A374 HydrophobicContact CE-CB 3.8Å; M355-A374 HydrophobicContact SD-CB 4.37Å; T371-A374 CarbonylContact O-C 3.52Å; T371-A374 WeakPolarHBondContact O-CA 3.37Å; T371-A374 WeakPolarHBondContact O-CB 3.18Å; T371-A374 PolarHBondContact O-N 3.16Å; A374-A378 WeakPolarHBondContact O-CB 3.44Å; A374-A378 PolarHBondContact O-N 3.41Å; A374-L389 HydrophobicContact CB-CD1 3.98Å; A374-L389 HydrophobicContact CB-CD2 3.72Å; A374-L389 HydrophobicContact CB-CG 3.85Å |
| 375 | E | 92.4 | Very high | 91.1 | Very high | 98 Ų | 98 | 43.7 Ų | 43.7 | 46% | 0.458 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69 | -41.7 | 173.7 | -72.2 | 165.3 | -141.7 | 0 | 0 | 111.8 | T371 A372 E373 F379 A385 | T371-E375 WeakPolarHBondContact CB-OE1 3Å; T371-E375 WeakPolarHBondContact O-CG 3.41Å; T371-E375 PolarHBondContact O-N 2.95Å; T371-E375 PolarHBondContact OG1-OE1 2.95Å; A372-E375 WeakPolarHBondContact O-CB 3.07Å; A372-E375 PolarHBondContact O-N 2.83Å; E373-E375 VanDerWaalsContact C-N 3.29Å; E373-E375 PolarHBondContact O-N 3.49Å; E375-F379 WeakPolarHBondContact O-CB 3.09Å; E375-F379 PolarHBondContact O-N 3.02Å; E375-A385 HydrophobicContact CB-CB 4.33Å; E375-A385 HydrophobicContact CG-CB 3.69Å |
| 376 | K | 92.9 | Very high | 91.3 | Very high | 56 Ų | 56 | 48 Ų | 48 | 24% | 0.243 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.6 | -50.7 | 170.3 | -63.3 | 177.1 | -160.2 | 164.6 | 0 | 111.3 | L295 N351 A372 E373 A378 F379 L380 | L295-K376 HydrophobicContact CB-CB 4.49Å; L295-K376 HydrophobicContact CB-CD 4.32Å; L295-K376 HydrophobicContact CB-CG 4.3Å; L295-K376 HydrophobicContact CD1-CB 4.07Å; L295-K376 HydrophobicContact CD1-CG 4.09Å; N351-K376 VanDerWaalsContact OD1-CD 3.25Å; N351-K376 WeakPolarHBondContact OD1-CD 2.97Å; A372-K376 WeakPolarHBondContact O-CG 3.11Å; A372-K376 PolarHBondContact O-N 2.94Å; E373-K376 PolarHBondContact O-N 3.43Å; E373-K376 WeakPolarHBondContact OE1-CE 2.89Å; E373-K376 IonicContact OE1-NZ 3.77Å; E373-K376 PolarHBondContact OE1-NZ 2.97Å; E373-K376 WeakPolarHBondContact OE2-CE 3.22Å; E373-K376 IonicContact OE2-NZ 2.86Å; E373-K376 PolarHBondContact OE2-NZ 2.65Å; K376-A378 VanDerWaalsContact C-N 3.34Å; K376-A378 PolarHBondContact O-N 2.83Å; K376-F379 PolarHBondContact O-N 2.97Å; K376-L380 WeakPolarHBondContact O-CB 3.35Å; K376-L380 VanDerWaalsContact O-CG 3.29Å; K376-L380 WeakPolarHBondContact O-CG 3.02Å; K376-L380 PolarHBondContact O-N 3.44Å |
| 377 | V | 93.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 180 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | N351 M352 M355 E373 L380 L381 L388 | N351-V377 HydrophobicContact CB-CG2 3.66Å; M352-V377 HydrophobicContact CE-CG1 3.78Å; M352-V377 HydrophobicContact CG-CG1 3.87Å; M352-V377 HydrophobicContact CG-CG2 3.92Å; M355-V377 HydrophobicContact SD-CB 4.45Å; M355-V377 HydrophobicContact SD-CG2 4.11Å; E373-V377 WeakPolarHBondContact O-CG2 3.41Å; E373-V377 PolarHBondContact O-N 2.63Å; V377-L380 PolarHBondContact O-N 2.85Å; V377-L381 HydrophobicContact CG1-CD1 3.86Å; V377-L381 WeakPolarHBondContact O-CB 3.27Å; V377-L381 WeakPolarHBondContact O-CG 3.03Å; V377-L381 PolarHBondContact O-N 2.64Å; V377-L388 HydrophobicContact CG1-CD2 3.96Å |
| 378 | A | 93.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 2% | 0.017 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65 | -40.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A374 K376 L381 G382 V383 A385 L388 | A374-A378 WeakPolarHBondContact O-CB 3.44Å; A374-A378 PolarHBondContact O-N 3.41Å; K376-A378 VanDerWaalsContact C-N 3.34Å; K376-A378 PolarHBondContact O-N 2.83Å; A378-L381 CarbonylContact O-C 3.55Å; A378-L381 PolarHBondContact O-N 2.79Å; A378-G382 PolarHBondContact O-N 3.43Å; A378-V383 CarbonylContact C-O 3.35Å; A378-V383 HydrophobicContact CB-CG2 4.04Å; A378-V383 PolarHBondContact O-N 3.25Å; A378-A385 VanDerWaalsContact CB-CA 3.47Å; A378-A385 HydrophobicContact CB-CB 3.74Å; A378-L388 HydrophobicContact CB-CD2 4.01Å |
| 379 | F | 93.4 | Very high | 91.6 | Very high | 147 Ų | 147 | 47.7 Ų | 47.7 | 65% | 0.645 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.2 | -48.4 | 174.7 | 177.3 | -94 | 0 | 0 | 0 | 112 | L295 E375 K376 L381 G382 | L295-F379 HydrophobicContact CD1-CD1 3.67Å; L295-F379 HydrophobicContact CD1-CE1 4.27Å; L295-F379 HydrophobicContact CD1-CG 4.39Å; E375-F379 WeakPolarHBondContact O-CB 3.09Å; E375-F379 PolarHBondContact O-N 3.02Å; K376-F379 PolarHBondContact O-N 2.97Å; F379-L381 VanDerWaalsContact C-N 3.28Å; F379-L381 PolarHBondContact O-N 3.41Å; F379-G382 PolarHBondContact O-N 2.86Å |
| 380 | L | 93.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63 | -34.4 | 178.5 | -68.4 | 169.5 | 0 | 0 | 0 | 112.4 | L295 K344 K376 V377 | L295-L380 HydrophobicContact CD1-CG 4.47Å; L295-L380 HydrophobicContact CG-CD2 4.5Å; K344-L380 HydrophobicContact CB-CB 4.38Å; K344-L380 HydrophobicContact CB-CD2 4.27Å; K344-L380 WeakPolarHBondContact CD-O 3.43Å; K344-L380 HydrophobicContact CG-CD2 4.14Å; K376-L380 WeakPolarHBondContact O-CB 3.35Å; K376-L380 VanDerWaalsContact O-CG 3.29Å; K376-L380 WeakPolarHBondContact O-CG 3.02Å; K376-L380 PolarHBondContact O-N 3.44Å; V377-L380 PolarHBondContact O-N 2.85Å |
| 381 | L | 94.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 3.8 | 178.5 | -66 | 178.8 | 0 | 0 | 0 | 114.7 | M352 V377 A378 F379 V383 L424 L603 S606 V611 | M352-L381 HydrophobicContact CE-CD1 3.61Å; V377-L381 HydrophobicContact CG1-CD1 3.86Å; V377-L381 WeakPolarHBondContact O-CB 3.27Å; V377-L381 WeakPolarHBondContact O-CG 3.03Å; V377-L381 PolarHBondContact O-N 2.64Å; A378-L381 CarbonylContact O-C 3.55Å; A378-L381 PolarHBondContact O-N 2.79Å; F379-L381 VanDerWaalsContact C-N 3.28Å; F379-L381 PolarHBondContact O-N 3.41Å; L381-V383 VanDerWaalsContact C-N 3.35Å; L381-V383 HydrophobicContact CB-CG2 4.25Å; L381-V383 PolarHBondContact O-N 2.79Å; L381-L424 HydrophobicContact CD1-CD2 4.45Å; L381-L424 HydrophobicContact CD2-CD1 4.37Å; L381-L424 HydrophobicContact CD2-CD2 3.92Å; L381-L603 HydrophobicContact CB-CD2 4.2Å; L381-L603 HydrophobicContact CD1-CD2 4.09Å; L381-S606 PolarHBondContact O-OG 2.88Å; L381-V611 HydrophobicContact CD2-CG1 4.48Å; L381-V611 HydrophobicContact CD2-CG2 3.89Å |
| 382 | G | 92.8 | Very high | 91.9 | Very high | 20 Ų | 20 | 41.8 Ų | 41.8 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 20.5 | 176 | 0 | 0 | 0 | 0 | 0 | 116 | A378 F379 K607 | A378-G382 PolarHBondContact O-N 3.43Å; F379-G382 PolarHBondContact O-N 2.86Å; G382-K607 WeakPolarHBondContact O-CB 3.23Å; G382-K607 PolarHBondContact O-N 2.99Å; G382-K607 VanDerWaalsContact O-N 3.15Å |
| 383 | V | 93.6 | Very high | 92 | Very high | 24 Ų | 24 | 40.4 Ų | 40.4 | 15% | 0.145 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -118.6 | 174.9 | -175.5 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | A378 L381 L602 L603 | A378-V383 CarbonylContact C-O 3.35Å; A378-V383 HydrophobicContact CB-CG2 4.04Å; A378-V383 PolarHBondContact O-N 3.25Å; L381-V383 VanDerWaalsContact C-N 3.35Å; L381-V383 HydrophobicContact CB-CG2 4.25Å; L381-V383 PolarHBondContact O-N 2.79Å; V383-L602 HydrophobicContact CB-CD1 4.43Å; V383-L602 HydrophobicContact CB-CG 4.29Å; V383-L602 HydrophobicContact CG1-CG 4.23Å; V383-L602 VanDerWaalsContact CG1-O 3.3Å; V383-L602 WeakPolarHBondContact CG1-O 3.37Å; V383-L603 HydrophobicContact CG1-CD2 4.03Å |
| 384 | N | 92.2 | Very high | 91.9 | Very high | 83 Ų | 83 | 42.5 Ų | 42.5 | 44% | 0.444 | 22% | 0.215 | S | C | . | . | trans | -89.3 | 126.1 | 177.4 | -175.8 | -13.8 | 0 | 0 | 0 | 111.6 | K386 D387 L388 | N384-K386 VanDerWaalsContact C-N 3.3Å; N384-K386 PolarHBondContact O-N 3.06Å; N384-K386 PolarHBondContact OD1-N 2.73Å; N384-D387 HydrophobicContact CB-CB 4.21Å; N384-D387 VanDerWaalsContact CB-OD2 3.24Å; N384-D387 WeakPolarHBondContact CB-OD2 3.43Å; N384-D387 PolarHBondContact ND2-OD2 2.7Å; N384-D387 PolarHBondContact O-N 2.77Å; N384-D387 VanDerWaalsContact O-N 3.15Å; N384-L388 WeakPolarHBondContact O-CB 3.31Å; N384-L388 PolarHBondContact O-N 3.16Å | ||
| 385 | A | 90.7 | Very high | 91.8 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.3 | -37.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E375 A378 L389 | E375-A385 HydrophobicContact CB-CB 4.33Å; E375-A385 HydrophobicContact CG-CB 3.69Å; A378-A385 VanDerWaalsContact CB-CA 3.47Å; A378-A385 HydrophobicContact CB-CB 3.74Å; A385-L389 WeakPolarHBondContact O-CB 3.11Å; A385-L389 WeakPolarHBondContact O-CG 3.04Å; A385-L389 PolarHBondContact O-N 2.89Å |
| 386 | K | 91.4 | Very high | 91.4 | Very high | 147 Ų | 147 | 44 Ų | 44 | 64% | 0.639 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -65.4 | -42.5 | 177.6 | -176.8 | -170.9 | 173.7 | -167.8 | 0 | 111.3 | N384 T390 | N384-K386 VanDerWaalsContact C-N 3.3Å; N384-K386 PolarHBondContact O-N 3.06Å; N384-K386 PolarHBondContact OD1-N 2.73Å; K386-T390 VanDerWaalsContact O-CB 3.32Å; K386-T390 WeakPolarHBondContact O-CB 3.48Å; K386-T390 PolarHBondContact O-N 2.8Å; K386-T390 PolarHBondContact O-OG1 3.11Å |
| 387 | D | 91.3 | Very high | 90.8 | Very high | 66 Ų | 66 | 44.1 Ų | 44.1 | 35% | 0.353 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -76.7 | -35 | -175.9 | -56.5 | -41 | 0 | 0 | 0 | 110.2 | N384 T390 S391 L602 | N384-D387 HydrophobicContact CB-CB 4.21Å; N384-D387 VanDerWaalsContact CB-OD2 3.24Å; N384-D387 WeakPolarHBondContact CB-OD2 3.43Å; N384-D387 PolarHBondContact ND2-OD2 2.7Å; N384-D387 PolarHBondContact O-N 2.77Å; N384-D387 VanDerWaalsContact O-N 3.15Å; D387-T390 PolarHBondContact O-N 3.31Å; D387-S391 WeakPolarHBondContact O-CB 3.11Å; D387-S391 PolarHBondContact O-N 2.69Å; D387-S391 PolarHBondContact O-OG 3.49Å; D387-L602 HydrophobicContact CB-CD1 4.11Å; D387-L602 HydrophobicContact CB-CD2 4.26Å |
| 388 | L | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -51.4 | 170 | -178.2 | 64.1 | 0 | 0 | 0 | 111.9 | V377 A378 N384 T390 S391 F392 L602 | V377-L388 HydrophobicContact CG1-CD2 3.96Å; A378-L388 HydrophobicContact CB-CD2 4.01Å; N384-L388 WeakPolarHBondContact O-CB 3.31Å; N384-L388 PolarHBondContact O-N 3.16Å; L388-T390 VanDerWaalsContact C-N 3.31Å; L388-T390 PolarHBondContact O-N 3.49Å; L388-S391 PolarHBondContact O-N 2.55Å; L388-F392 HydrophobicContact CD1-CD2 4.24Å; L388-F392 HydrophobicContact CD1-CE2 3.63Å; L388-F392 HydrophobicContact CD1-CZ 4.22Å; L388-F392 HydrophobicContact CG-CD2 4.2Å; L388-F392 HydrophobicContact CG-CE2 3.82Å; L388-F392 VanDerWaalsContact O-CD2 3.27Å; L388-F392 WeakPolarHBondContact O-CD2 2.94Å; L388-F392 PolarHBondContact O-N 2.84Å; L388-F392 VanDerWaalsContact O-N 3.09Å; L388-L602 HydrophobicContact CB-CD2 4.07Å; L388-L602 HydrophobicContact CD1-CD2 4.37Å |
| 389 | L | 91.4 | Very high | 89 | Confident | 19 Ų | 19 | 54.3 Ų | 54.3 | 10% | 0.099 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 175.6 | -75.1 | 172.2 | 0 | 0 | 0 | 112.3 | M355 F357 A368 T371 A374 A385 F392 L393 | M355-L389 HydrophobicContact CE-CD2 4.14Å; F357-L389 HydrophobicContact CE1-CD2 4.22Å; F357-L389 HydrophobicContact CZ-CD2 4.46Å; A368-L389 HydrophobicContact CB-CD2 4.17Å; T371-L389 HydrophobicContact CG2-CD1 3.92Å; A374-L389 HydrophobicContact CB-CD1 3.98Å; A374-L389 HydrophobicContact CB-CD2 3.72Å; A374-L389 HydrophobicContact CB-CG 3.85Å; A385-L389 WeakPolarHBondContact O-CB 3.11Å; A385-L389 WeakPolarHBondContact O-CG 3.04Å; A385-L389 PolarHBondContact O-N 2.89Å; L389-F392 PolarHBondContact O-N 3.46Å; L389-L393 WeakPolarHBondContact O-CB 3.35Å; L389-L393 VanDerWaalsContact O-CG 3.3Å; L389-L393 WeakPolarHBondContact O-CG 3.15Å; L389-L393 PolarHBondContact O-N 3.24Å |
| 390 | T | 91.4 | Very high | 88 | Confident | 65 Ų | 65 | 50.5 Ų | 50.5 | 40% | 0.399 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66 | -43 | 176 | -57.8 | 0 | 0 | 0 | 0 | 111 | K386 D387 L388 F392 L393 K394 | K386-T390 VanDerWaalsContact O-CB 3.32Å; K386-T390 WeakPolarHBondContact O-CB 3.48Å; K386-T390 PolarHBondContact O-N 2.8Å; K386-T390 PolarHBondContact O-OG1 3.11Å; D387-T390 PolarHBondContact O-N 3.31Å; L388-T390 VanDerWaalsContact C-N 3.31Å; L388-T390 PolarHBondContact O-N 3.49Å; T390-F392 VanDerWaalsContact C-N 3.31Å; T390-F392 PolarHBondContact O-N 2.74Å; T390-L393 PolarHBondContact O-N 2.67Å; T390-K394 CarbonylContact O-C 3.6Å; T390-K394 WeakPolarHBondContact O-CA 3.33Å; T390-K394 PolarHBondContact O-N 2.69Å |
| 391 | S | 89 | Confident | 87.1 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 11% | 0.112 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.7 | -33.5 | 177 | -69.3 | 0 | 0 | 0 | 0 | 112.8 | D387 L388 P395 N596 S598 | D387-S391 WeakPolarHBondContact O-CB 3.11Å; D387-S391 PolarHBondContact O-N 2.69Å; D387-S391 PolarHBondContact O-OG 3.49Å; L388-S391 PolarHBondContact O-N 2.55Å; S391-P395 WeakPolarHBondContact O-CB 3.16Å; S391-P395 WeakPolarHBondContact O-CD 3.48Å; S391-N596 PolarHBondContact O-ND2 3.4Å; S391-S598 PolarHBondContact OG-O 3.05Å; S391-S598 VanDerWaalsContact OG-O 3.09Å |
| 392 | F | 90.6 | Very high | 86.4 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.009 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -73.3 | -53.2 | 172.2 | -73.9 | -56.1 | 0 | 0 | 0 | 113.2 | M355 L388 L389 T390 V413 A416 V417 L420 V599 | M355-F392 HydrophobicContact CE-CD2 4.11Å; M355-F392 HydrophobicContact CE-CE2 3.93Å; L388-F392 HydrophobicContact CD1-CD2 4.24Å; L388-F392 HydrophobicContact CD1-CE2 3.63Å; L388-F392 HydrophobicContact CD1-CZ 4.22Å; L388-F392 HydrophobicContact CG-CD2 4.2Å; L388-F392 HydrophobicContact CG-CE2 3.82Å; L388-F392 VanDerWaalsContact O-CD2 3.27Å; L388-F392 WeakPolarHBondContact O-CD2 2.94Å; L388-F392 PolarHBondContact O-N 2.84Å; L388-F392 VanDerWaalsContact O-N 3.09Å; L389-F392 PolarHBondContact O-N 3.46Å; T390-F392 VanDerWaalsContact C-N 3.31Å; T390-F392 PolarHBondContact O-N 2.74Å; F392-V413 HydrophobicContact CB-CG1 4.42Å; F392-A416 HydrophobicContact CD1-CB 3.94Å; F392-A416 HydrophobicContact CE1-CB 4.27Å; F392-V417 HydrophobicContact CD1-CG2 3.97Å; F392-V417 HydrophobicContact CD2-CG2 4.27Å; F392-V417 HydrophobicContact CE1-CB 4.41Å; F392-V417 HydrophobicContact CE1-CG2 3.75Å; F392-V417 HydrophobicContact CE2-CG2 4.05Å; F392-V417 HydrophobicContact CG-CG2 4.23Å; F392-V417 HydrophobicContact CZ-CB 4.47Å; F392-V417 HydrophobicContact CZ-CG2 3.78Å; F392-L420 HydrophobicContact CE1-CB 4.45Å; F392-L420 HydrophobicContact CE1-CD2 4.48Å; F392-L420 HydrophobicContact CZ-CB 4.35Å; F392-L420 HydrophobicContact CZ-CD2 3.71Å; F392-V599 HydrophobicContact CD1-CG2 4.29Å; F392-V599 HydrophobicContact CE1-CG2 4.24Å |
| 393 | L | 91.3 | Very high | 85.8 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -75.1 | -35.9 | -172.1 | -64.4 | 175.9 | 0 | 0 | 0 | 113 | F357 A366 A368 L389 T390 G407 Q408 V413 | F357-L393 HydrophobicContact CD1-CD2 3.83Å; F357-L393 HydrophobicContact CE1-CD2 3.89Å; F357-L393 HydrophobicContact CE1-CG 4.47Å; A366-L393 HydrophobicContact CB-CD2 4Å; A368-L393 HydrophobicContact CB-CD1 4.46Å; L389-L393 WeakPolarHBondContact O-CB 3.35Å; L389-L393 VanDerWaalsContact O-CG 3.3Å; L389-L393 WeakPolarHBondContact O-CG 3.15Å; L389-L393 PolarHBondContact O-N 3.24Å; T390-L393 PolarHBondContact O-N 2.67Å; L393-G407 WeakPolarHBondContact O-CA 3.2Å; L393-Q408 PolarHBondContact O-N 3.38Å; L393-V413 HydrophobicContact CD2-CG1 4.3Å; L393-V413 HydrophobicContact CD2-CG2 4.08Å |
| 394 | K | 89.7 | Confident | 85.4 | Confident | 95 Ų | 95 | 71 Ų | 71 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -143.7 | 59.4 | -171 | -61.7 | -167.8 | 176.3 | -169.9 | 0 | 112.1 | T390 T405 K406 | T390-K394 CarbonylContact O-C 3.6Å; T390-K394 WeakPolarHBondContact O-CA 3.33Å; T390-K394 PolarHBondContact O-N 2.69Å; K394-T405 HydrophobicContact CB-CG2 4.03Å; K394-K406 WeakPolarHBondContact CA-O 3.07Å |
| 395 | P | 87.7 | Confident | 85.1 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.019 | 38% | 0.384 | C | S | . | . | trans | -58.1 | 150.6 | 176.5 | 22.8 | -33.5 | 0 | 0 | 0 | 113.4 | S391 V397 T405 K406 Q408 N596 | S391-P395 WeakPolarHBondContact O-CB 3.16Å; S391-P395 WeakPolarHBondContact O-CD 3.48Å; P395-V397 HydrophobicContact CB-CG2 4.37Å; P395-V397 HydrophobicContact CG-CG2 4.43Å; P395-T405 WeakPolarHBondContact O-CA 3.44Å; P395-K406 VanDerWaalsContact CD-O 3.31Å; P395-K406 WeakPolarHBondContact CD-O 3.49Å; P395-K406 PolarHBondContact O-N 2.74Å; P395-Q408 HydrophobicContact CG-CG 4.04Å; P395-Q408 VanDerWaalsContact CG-NE2 3.32Å; P395-N596 WeakPolarHBondContact CB-ND2 3.3Å; P395-N596 WeakPolarHBondContact CB-OD1 3.2Å | ||
| 396 | K | 84 | Confident | 84.8 | Confident | 131 Ų | 131 | 75.4 Ų | 75.4 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 106.9 | 166 | -64.9 | 177.8 | -178.3 | 176.3 | 0 | 108 | F403 S598 | K396-F403 HydrophobicContact CB-CD1 4.31Å; K396-S598 PolarHBondContact N-OG 2.64Å; K396-S598 PolarHBondContact O-OG 3.37Å; K396-S598 VanDerWaalsContact O-OG 3.1Å |
| 397 | V | 79.8 | Confident | 84.6 | Confident | 58 Ų | 58 | 69.4 Ų | 69.4 | 35% | 0.352 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 132.1 | 178.7 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | P395 V399 V404 | P395-V397 HydrophobicContact CB-CG2 4.37Å; P395-V397 HydrophobicContact CG-CG2 4.43Å; V397-V399 HydrophobicContact CG1-CG2 4.49Å; V397-V399 PolarHBondContact O-N 3.49Å; V397-V404 PolarHBondContact N-O 2.72Å; V397-V404 PolarHBondContact O-N 3.03Å |
| 398 | K | 74.7 | Confident | 84.5 | Confident | 124 Ų | 124 | 67.6 Ų | 67.6 | 54% | 0.539 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 118.8 | 174.8 | -168 | 178.5 | 178.4 | -177.2 | 0 | 109.4 | G400 E402 F403 | K398-G400 VanDerWaalsContact CE-O 3.3Å; K398-G400 WeakPolarHBondContact CE-O 3.14Å; K398-E402 CarbonylContact C-O 3.56Å; K398-E402 WeakPolarHBondContact CA-O 3.15Å; K398-F403 HydrophobicContact CB-CD1 4.13Å; K398-F403 HydrophobicContact CB-CE1 3.89Å; K398-F403 HydrophobicContact CB-CZ 4.35Å; K398-F403 HydrophobicContact CD-CZ 4.21Å; K398-F403 HydrophobicContact CG-CE1 4.34Å; K398-F403 HydrophobicContact CG-CZ 4.34Å |
| 399 | V | 74.3 | Confident | 84.4 | Confident | 92 Ų | 92 | 69.9 Ų | 69.9 | 56% | 0.558 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 99.2 | 179.3 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | V397 T401 E402 V404 | V397-V399 HydrophobicContact CG1-CG2 4.49Å; V397-V399 PolarHBondContact O-N 3.49Å; V399-T401 PolarHBondContact O-N 2.68Å; V399-T401 VanDerWaalsContact O-N 3.13Å; V399-E402 PolarHBondContact N-O 3.23Å; V399-E402 PolarHBondContact O-N 2.67Å; V399-V404 HydrophobicContact CB-CG2 4.1Å; V399-V404 HydrophobicContact CG2-CB 4.13Å; V399-V404 HydrophobicContact CG2-CG2 3.84Å |
| 400 | G | 72.4 | Confident | 84.3 | Confident | 68 Ų | 68 | 71.2 Ų | 71.2 | 70% | 0.701 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | -107.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K398 | K398-G400 VanDerWaalsContact CE-O 3.3Å; K398-G400 WeakPolarHBondContact CE-O 3.14Å |
| 401 | T | 74.9 | Confident | 84 | Confident | 125 Ų | 125 | 74 Ų | 74 | 77% | 0.767 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -23.7 | 177.4 | 46.2 | 0 | 0 | 0 | 0 | 113.8 | V399 | V399-T401 PolarHBondContact O-N 2.68Å; V399-T401 VanDerWaalsContact O-N 3.13Å |
| 402 | E | 79.4 | Confident | 83.9 | Confident | 143 Ų | 143 | 76.8 Ų | 76.8 | 67% | 0.668 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 156.9 | -173.9 | -62.7 | -169.3 | 167.9 | 0 | 0 | 113 | K398 V399 | K398-E402 CarbonylContact C-O 3.56Å; K398-E402 WeakPolarHBondContact CA-O 3.15Å; V399-E402 PolarHBondContact N-O 3.23Å; V399-E402 PolarHBondContact O-N 2.67Å |
| 403 | F | 81 | Confident | 83.8 | Confident | 139 Ų | 139 | 76.7 Ų | 76.7 | 61% | 0.61 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 111.8 | 175.2 | -77 | -84.6 | 0 | 0 | 0 | 111.5 | K396 K398 | K396-F403 HydrophobicContact CB-CD1 4.31Å; K398-F403 HydrophobicContact CB-CD1 4.13Å; K398-F403 HydrophobicContact CB-CE1 3.89Å; K398-F403 HydrophobicContact CB-CZ 4.35Å; K398-F403 HydrophobicContact CD-CZ 4.21Å; K398-F403 HydrophobicContact CG-CE1 4.34Å; K398-F403 HydrophobicContact CG-CZ 4.34Å |
| 404 | V | 84 | Confident | 83.7 | Confident | 69 Ų | 69 | 78.8 Ų | 78.8 | 42% | 0.418 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.3 | 178.5 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | V397 V399 K406 | V397-V404 PolarHBondContact N-O 2.72Å; V397-V404 PolarHBondContact O-N 3.03Å; V399-V404 HydrophobicContact CB-CG2 4.1Å; V399-V404 HydrophobicContact CG2-CB 4.13Å; V399-V404 HydrophobicContact CG2-CG2 3.84Å; V404-K406 PolarHBondContact O-N 2.74Å |
| 405 | T | 87.2 | Confident | 83.4 | Confident | 87 Ų | 87 | 76.6 Ų | 76.6 | 53% | 0.534 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 111.2 | 173.2 | -54.9 | 0 | 0 | 0 | 0 | 109.5 | K394 P395 | K394-T405 HydrophobicContact CB-CG2 4.03Å; P395-T405 WeakPolarHBondContact O-CA 3.44Å |
| 406 | K | 84.8 | Confident | 83.4 | Confident | 107 Ų | 107 | 77.4 Ų | 77.4 | 47% | 0.465 | 42% | 0.42 | S | S | . | . | trans | -110.5 | 122.7 | -177.1 | -179.6 | -177.2 | 173.4 | -169.7 | 0 | 111.4 | K394 P395 V404 Q408 | K394-K406 WeakPolarHBondContact CA-O 3.07Å; P395-K406 VanDerWaalsContact CD-O 3.31Å; P395-K406 WeakPolarHBondContact CD-O 3.49Å; P395-K406 PolarHBondContact O-N 2.74Å; V404-K406 PolarHBondContact O-N 2.74Å; K406-Q408 PolarHBondContact O-NE2 2.68Å | ||
| 407 | G | 87 | Confident | 83.7 | Confident | 21 Ų | 21 | 71.4 Ų | 71.4 | 22% | 0.216 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -69 | 135.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112 | L393 | L393-G407 WeakPolarHBondContact O-CA 3.2Š|
| 408 | Q | 88.5 | Confident | 84.1 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 13% | 0.126 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 151.1 | -179.7 | -56.7 | -60.2 | -36.9 | 0 | 0 | 111.4 | Q365 A366 L393 P395 K406 Q412 V413 | Q365-Q408 CarbonylContact C-O 3.2Å; Q365-Q408 WeakPolarHBondContact CA-O 3.35Å; A366-Q408 PolarHBondContact N-O 3Å; L393-Q408 PolarHBondContact O-N 3.38Å; P395-Q408 HydrophobicContact CG-CG 4.04Å; P395-Q408 VanDerWaalsContact CG-NE2 3.32Å; K406-Q408 PolarHBondContact O-NE2 2.68Å; Q408-Q412 HydrophobicContact CB-CB 3.92Å; Q408-V413 HydrophobicContact CB-CG2 3.65Å |
| 409 | N | 89.3 | Confident | 84.7 | Confident | 49 Ų | 49 | 63.7 Ų | 63.7 | 26% | 0.262 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 173.6 | 171.5 | 75.3 | 18.5 | 0 | 0 | 0 | 112.2 | E364 N411 Q412 V413 | E364-N409 VanDerWaalsContact O-CA 3.27Å; E364-N409 WeakPolarHBondContact O-CA 3.22Å; E364-N409 WeakPolarHBondContact O-CB 3.45Å; N409-N411 PolarHBondContact O-N 3.21Å; N409-N411 PolarHBondContact OD1-N 2.76Å; N409-Q412 PolarHBondContact O-N 3.48Å; N409-Q412 WeakPolarHBondContact OD1-CB 3.5Å; N409-Q412 VanDerWaalsContact OD1-CG 3.26Å; N409-Q412 WeakPolarHBondContact OD1-CG 3.47Å; N409-Q412 PolarHBondContact OD1-N 2.77Å; N409-Q412 PolarHBondContact OD1-OE1 3.38Å; N409-V413 WeakPolarHBondContact O-CG2 3.14Å; N409-V413 PolarHBondContact O-N 2.74Å |
| 410 | L | 89.5 | Confident | 85.4 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 24% | 0.241 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.2 | -46.7 | -175.8 | -179.5 | 59.6 | 0 | 0 | 0 | 112.3 | F357 Q359 Q412 V413 T414 | F357-L410 HydrophobicContact CB-CD1 3.55Å; F357-L410 WeakPolarHBondContact O-CD1 3.11Å; Q359-L410 HydrophobicContact CB-CB 4.23Å; Q359-L410 HydrophobicContact CB-CD2 4.2Å; L410-Q412 PolarHBondContact O-N 3.32Å; L410-V413 PolarHBondContact O-N 2.73Å; L410-T414 PolarHBondContact O-N 2.61Å; L410-T414 PolarHBondContact O-OG1 3.35Å; L410-T414 VanDerWaalsContact O-OG1 3.1Å |
| 411 | N | 86 | Confident | 86.3 | Confident | 125 Ų | 125 | 56.1 Ų | 56.1 | 67% | 0.668 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.5 | -41 | -178.7 | -64 | 2.2 | 0 | 0 | 0 | 111.6 | N409 V413 T414 Y415 | N409-N411 PolarHBondContact O-N 3.21Å; N409-N411 PolarHBondContact OD1-N 2.76Å; N411-V413 VanDerWaalsContact C-N 3.34Å; N411-V413 PolarHBondContact O-N 3.42Å; N411-T414 PolarHBondContact O-N 2.86Å; N411-Y415 VanDerWaalsContact O-CB 3.28Å; N411-Y415 WeakPolarHBondContact O-CB 3.43Å; N411-Y415 PolarHBondContact O-N 2.79Å |
| 412 | Q | 86.6 | Confident | 87 | Confident | 74 Ų | 74 | 51.2 Ų | 51.2 | 35% | 0.346 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 176.3 | -75.5 | 160.4 | -9.8 | 0 | 0 | 112.3 | Q408 N409 L410 A416 | Q408-Q412 HydrophobicContact CB-CB 3.92Å; N409-Q412 PolarHBondContact O-N 3.48Å; N409-Q412 WeakPolarHBondContact OD1-CB 3.5Å; N409-Q412 VanDerWaalsContact OD1-CG 3.26Å; N409-Q412 WeakPolarHBondContact OD1-CG 3.47Å; N409-Q412 PolarHBondContact OD1-N 2.77Å; N409-Q412 PolarHBondContact OD1-OE1 3.38Å; L410-Q412 PolarHBondContact O-N 3.32Å; Q412-A416 VanDerWaalsContact O-CB 3.3Å; Q412-A416 WeakPolarHBondContact O-CB 3.2Å; Q412-A416 PolarHBondContact O-N 2.66Å |
| 413 | V | 88.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.9 | -46.6 | 177.4 | 175 | 0 | 0 | 0 | 0 | 111.4 | F357 A366 F392 L393 Q408 N409 L410 N411 Y415 A416 V417 | F357-V413 HydrophobicContact CD1-CG1 3.71Å; F357-V413 HydrophobicContact CD2-CG1 3.77Å; F357-V413 HydrophobicContact CE1-CG1 3.62Å; F357-V413 HydrophobicContact CE2-CG1 3.69Å; F357-V413 HydrophobicContact CG-CG1 3.77Å; F357-V413 HydrophobicContact CZ-CG1 3.6Å; A366-V413 HydrophobicContact CB-CB 4.35Å; A366-V413 HydrophobicContact CB-CG2 3.82Å; F392-V413 HydrophobicContact CB-CG1 4.42Å; L393-V413 HydrophobicContact CD2-CG1 4.3Å; L393-V413 HydrophobicContact CD2-CG2 4.08Å; Q408-V413 HydrophobicContact CB-CG2 3.65Å; N409-V413 WeakPolarHBondContact O-CG2 3.14Å; N409-V413 PolarHBondContact O-N 2.74Å; L410-V413 PolarHBondContact O-N 2.73Å; N411-V413 VanDerWaalsContact C-N 3.34Å; N411-V413 PolarHBondContact O-N 3.42Å; V413-Y415 VanDerWaalsContact C-N 3.29Å; V413-Y415 PolarHBondContact O-N 2.7Å; V413-A416 PolarHBondContact O-N 3.49Å; V413-A416 VanDerWaalsContact O-N 3.1Å; V413-V417 WeakPolarHBondContact O-CG2 3.38Å; V413-V417 PolarHBondContact O-N 2.75Å |
| 414 | T | 88.1 | Confident | 87.9 | Confident | 71 Ų | 71 | 38.6 Ų | 38.6 | 44% | 0.436 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 175.1 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | L410 N411 S418 | L410-T414 PolarHBondContact O-N 2.61Å; L410-T414 PolarHBondContact O-OG1 3.35Å; L410-T414 VanDerWaalsContact O-OG1 3.1Å; N411-T414 PolarHBondContact O-N 2.86Å; T414-S418 WeakPolarHBondContact O-CB 3.03Å; T414-S418 PolarHBondContact O-N 2.65Å; T414-S418 PolarHBondContact O-OG 2.75Å |
| 415 | Y | 84.4 | Confident | 88.3 | Confident | 50 Ų | 50 | 35.3 Ų | 35.3 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 172.7 | -171.2 | -76.3 | 0 | 0 | 0 | 111.2 | N411 V413 V417 S418 A419 E589 P594 | N411-Y415 VanDerWaalsContact O-CB 3.28Å; N411-Y415 WeakPolarHBondContact O-CB 3.43Å; N411-Y415 PolarHBondContact O-N 2.79Å; V413-Y415 VanDerWaalsContact C-N 3.29Å; V413-Y415 PolarHBondContact O-N 2.7Å; Y415-V417 PolarHBondContact O-N 2.7Å; Y415-S418 CarbonylContact O-C 3.39Å; Y415-S418 WeakPolarHBondContact O-CB 3.09Å; Y415-S418 PolarHBondContact O-N 3.44Å; Y415-S418 VanDerWaalsContact O-N 3.16Å; Y415-A419 HydrophobicContact CD1-CB 4.2Å; Y415-A419 HydrophobicContact CE1-CB 3.89Å; Y415-A419 WeakPolarHBondContact O-CB 3.46Å; Y415-A419 PolarHBondContact O-N 2.72Å; Y415-E589 HydrophobicContact CE2-CB 3.91Å; Y415-E589 PolarHBondContact OH-O 3.34Å; Y415-P594 HydrophobicContact CE1-CG 3.86Å |
| 416 | A | 87 | Confident | 88.4 | Confident | 19 Ų | 19 | 33.4 Ų | 33.4 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.4 | -38 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F392 Q412 V413 A419 L420 | F392-A416 HydrophobicContact CD1-CB 3.94Å; F392-A416 HydrophobicContact CE1-CB 4.27Å; Q412-A416 VanDerWaalsContact O-CB 3.3Å; Q412-A416 WeakPolarHBondContact O-CB 3.2Å; Q412-A416 PolarHBondContact O-N 2.66Å; V413-A416 PolarHBondContact O-N 3.49Å; V413-A416 VanDerWaalsContact O-N 3.1Å; A416-A419 PolarHBondContact O-N 2.71Å; A416-L420 PolarHBondContact O-N 3.11Å |
| 417 | V | 90.3 | Very high | 88.6 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.7 | -43.8 | 172.5 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | M352 F357 F392 V413 Y415 A419 L420 A421 | M352-V417 HydrophobicContact CB-CG1 3.96Å; M352-V417 HydrophobicContact CG-CG1 4.48Å; F357-V417 HydrophobicContact CE2-CG2 3.96Å; F357-V417 HydrophobicContact CZ-CG2 4.24Å; F392-V417 HydrophobicContact CD1-CG2 3.97Å; F392-V417 HydrophobicContact CD2-CG2 4.27Å; F392-V417 HydrophobicContact CE1-CB 4.41Å; F392-V417 HydrophobicContact CE1-CG2 3.75Å; F392-V417 HydrophobicContact CE2-CG2 4.05Å; F392-V417 HydrophobicContact CG-CG2 4.23Å; F392-V417 HydrophobicContact CZ-CB 4.47Å; F392-V417 HydrophobicContact CZ-CG2 3.78Å; V413-V417 WeakPolarHBondContact O-CG2 3.38Å; V413-V417 PolarHBondContact O-N 2.75Å; Y415-V417 PolarHBondContact O-N 2.7Å; V417-A419 PolarHBondContact O-N 2.69Å; V417-L420 PolarHBondContact O-N 3.44Å; V417-A421 PolarHBondContact O-N 2.73Å |
| 418 | S | 88.7 | Confident | 88.9 | Confident | 18 Ų | 18 | 31.1 Ų | 31.1 | 13% | 0.126 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -38.6 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | T414 Y415 A421 K422 | T414-S418 WeakPolarHBondContact O-CB 3.03Å; T414-S418 PolarHBondContact O-N 2.65Å; T414-S418 PolarHBondContact O-OG 2.75Å; Y415-S418 CarbonylContact O-C 3.39Å; Y415-S418 WeakPolarHBondContact O-CB 3.09Å; Y415-S418 PolarHBondContact O-N 3.44Å; Y415-S418 VanDerWaalsContact O-N 3.16Å; S418-A421 PolarHBondContact O-N 3.49Å; S418-K422 WeakPolarHBondContact O-CB 2.94Å; S418-K422 VanDerWaalsContact O-CE 3.22Å; S418-K422 WeakPolarHBondContact O-CE 3.1Å; S418-K422 WeakPolarHBondContact O-CG 3.28Å; S418-K422 PolarHBondContact O-N 2.74Å |
| 419 | A | 85.7 | Confident | 89.2 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.9 | -41.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y415 A416 V417 S423 L595 | Y415-A419 HydrophobicContact CD1-CB 4.2Å; Y415-A419 HydrophobicContact CE1-CB 3.89Å; Y415-A419 WeakPolarHBondContact O-CB 3.46Å; Y415-A419 PolarHBondContact O-N 2.72Å; A416-A419 PolarHBondContact O-N 2.71Å; V417-A419 PolarHBondContact O-N 2.69Å; A419-S423 VanDerWaalsContact O-CB 3.27Å; A419-S423 WeakPolarHBondContact O-CB 3.3Å; A419-S423 PolarHBondContact O-N 2.7Å; A419-L595 HydrophobicContact CB-CD1 4.45Å |
| 420 | L | 90.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.7 | -48.1 | 173 | 179.5 | 61.5 | 0 | 0 | 0 | 111.4 | M352 F392 A416 V417 K422 S423 L424 L595 V599 L603 F615 | M352-L420 HydrophobicContact CE-CD2 3.63Å; M352-L420 HydrophobicContact CE-CG 3.97Å; M352-L420 HydrophobicContact SD-CD2 4.15Å; M352-L420 HydrophobicContact SD-CG 4.21Å; F392-L420 HydrophobicContact CE1-CB 4.45Å; F392-L420 HydrophobicContact CE1-CD2 4.48Å; F392-L420 HydrophobicContact CZ-CB 4.35Å; F392-L420 HydrophobicContact CZ-CD2 3.71Å; A416-L420 PolarHBondContact O-N 3.11Å; V417-L420 PolarHBondContact O-N 3.44Å; L420-K422 PolarHBondContact O-N 2.74Å; L420-S423 PolarHBondContact O-N 3.46Å; L420-S423 VanDerWaalsContact O-N 3.15Å; L420-L424 VanDerWaalsContact O-CB 3.27Å; L420-L424 WeakPolarHBondContact O-CB 2.88Å; L420-L424 PolarHBondContact O-N 3.44Å; L420-L595 HydrophobicContact CB-CD1 4.46Å; L420-L595 HydrophobicContact CD1-CD1 4.48Å; L420-V599 HydrophobicContact CD1-CG1 4.04Å; L420-V599 HydrophobicContact CD2-CG1 3.96Å; L420-V599 HydrophobicContact CG-CG1 4.49Å; L420-L603 HydrophobicContact CD1-CD1 3.48Å; L420-L603 VanDerWaalsContact CD1-CD1 3.48Å; L420-L603 HydrophobicContact CD2-CD1 4.33Å; L420-F615 HydrophobicContact CD1-CE1 4.17Å; L420-F615 HydrophobicContact CD1-CZ 3.97Å |
| 421 | A | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.4 | -49.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | V267 F305 I349 M352 V417 S418 S423 Y425 | V267-A421 HydrophobicContact CG2-CB 4.04Å; F305-A421 HydrophobicContact CE2-CB 3.9Å; I349-A421 HydrophobicContact CG2-CB 4.08Å; M352-A421 HydrophobicContact SD-CB 4.06Å; V417-A421 PolarHBondContact O-N 2.73Å; S418-A421 PolarHBondContact O-N 3.49Å; A421-S423 PolarHBondContact O-N 2.66Å; A421-Y425 WeakPolarHBondContact O-CB 3.09Å; A421-Y425 PolarHBondContact O-N 2.66Å; A421-Y425 VanDerWaalsContact O-N 3.08Å |
| 422 | K | 88.6 | Confident | 89.8 | Confident | 22 Ų | 22 | 23.2 Ų | 23.2 | 10% | 0.096 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.2 | -46.4 | 173 | -76.1 | -178.9 | -75.9 | 147.9 | 0 | 112.5 | K263 V267 S418 L420 N426 D593 | K263-K422 HydrophobicContact CB-CB 4.04Å; K263-K422 HydrophobicContact CB-CD 4.41Å; K263-K422 HydrophobicContact CB-CG 4.05Å; K263-K422 HydrophobicContact CD-CB 4.44Å; V267-K422 HydrophobicContact CG2-CG 4.12Å; S418-K422 WeakPolarHBondContact O-CB 2.94Å; S418-K422 VanDerWaalsContact O-CE 3.22Å; S418-K422 WeakPolarHBondContact O-CE 3.1Å; S418-K422 WeakPolarHBondContact O-CG 3.28Å; S418-K422 PolarHBondContact O-N 2.74Å; L420-K422 PolarHBondContact O-N 2.74Å; K422-N426 VanDerWaalsContact O-CB 3.3Å; K422-N426 WeakPolarHBondContact O-CB 3.22Å; K422-N426 PolarHBondContact O-N 2.71Å; K422-N426 VanDerWaalsContact O-N 3.12Å; K422-D593 IonicContact NZ-OD1 2.74Å; K422-D593 PolarHBondContact NZ-OD1 2.95Å |
| 423 | S | 87.7 | Confident | 90 | Very high | 15 Ų | 15 | 19.9 Ų | 19.9 | 11% | 0.105 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -71.6 | -43.2 | -175.9 | -158.4 | 0 | 0 | 0 | 0 | 112.5 | A419 L420 A421 N426 R427 | A419-S423 VanDerWaalsContact O-CB 3.27Å; A419-S423 WeakPolarHBondContact O-CB 3.3Å; A419-S423 PolarHBondContact O-N 2.7Å; L420-S423 PolarHBondContact O-N 3.46Å; L420-S423 VanDerWaalsContact O-N 3.15Å; A421-S423 PolarHBondContact O-N 2.66Å; S423-N426 PolarHBondContact O-N 2.74Å; S423-R427 WeakPolarHBondContact O-CB 3.31Å; S423-R427 WeakPolarHBondContact O-CD 3.42Å; S423-R427 VanDerWaalsContact O-CG 3.22Å; S423-R427 WeakPolarHBondContact O-CG 3.33Å; S423-R427 PolarHBondContact O-N 3.48Å; S423-R427 PolarHBondContact OG-NE 2.83Å; S423-R427 VanDerWaalsContact OG-NE 3.14Å |
| 424 | L | 91.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.3 | -49 | 175.9 | 173.7 | 61.5 | 0 | 0 | 0 | 110.7 | C345 S348 I349 M352 L381 L420 N426 R427 M428 L614 F615 | C345-L424 HydrophobicContact CB-CD1 4.22Å; S348-L424 WeakPolarHBondContact OG-CD2 3.43Å; I349-L424 HydrophobicContact CD1-CB 4.48Å; I349-L424 HydrophobicContact CD1-CD2 4.07Å; I349-L424 HydrophobicContact CD1-CG 4.14Å; I349-L424 HydrophobicContact CG1-CD2 3.8Å; I349-L424 HydrophobicContact CG1-CG 4.4Å; M352-L424 HydrophobicContact CE-CD2 3.84Å; L381-L424 HydrophobicContact CD1-CD2 4.45Å; L381-L424 HydrophobicContact CD2-CD1 4.37Å; L381-L424 HydrophobicContact CD2-CD2 3.92Å; L420-L424 VanDerWaalsContact O-CB 3.27Å; L420-L424 WeakPolarHBondContact O-CB 2.88Å; L420-L424 PolarHBondContact O-N 3.44Å; L424-N426 PolarHBondContact O-N 2.71Å; L424-R427 PolarHBondContact O-N 2.74Å; L424-M428 WeakPolarHBondContact O-CB 3.36Å; L424-M428 PolarHBondContact O-N 2.68Å; L424-L614 HydrophobicContact CD1-CD1 4.07Å; L424-F615 HydrophobicContact CB-CE2 4.44Å; L424-F615 HydrophobicContact CB-CZ 4.19Å; L424-F615 HydrophobicContact CD1-CE2 3.82Å; L424-F615 HydrophobicContact CD1-CZ 4.41Å |
| 425 | Y | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.1 | -45.6 | 178.3 | -159.9 | -94.7 | 0 | 0 | 0 | 112.1 | Y223 L261 V266 Y276 I278 F279 I349 A421 M428 F429 | Y223-Y425 WeakPolarHBondContact CA-OH 3.21Å; Y223-Y425 HydrophobicContact CD1-CE2 4.34Å; Y223-Y425 WeakPolarHBondContact O-CE1 3.35Å; Y223-Y425 PolarHBondContact O-OH 3.4Å; L261-Y425 HydrophobicContact CD2-CD1 4.02Å; L261-Y425 HydrophobicContact CD2-CE1 4.34Å; V266-Y425 HydrophobicContact CG1-CD2 4.48Å; V266-Y425 HydrophobicContact CG1-CG 4.37Å; V266-Y425 HydrophobicContact CG2-CD1 3.59Å; V266-Y425 HydrophobicContact CG2-CD2 4.24Å; V266-Y425 HydrophobicContact CG2-CE1 4.23Å; V266-Y425 HydrophobicContact CG2-CG 3.61Å; Y276-Y425 WeakPolarHBondContact CB-OH 3.49Å; Y276-Y425 HydrophobicContact CD1-CE1 4.28Å; Y276-Y425 HydrophobicContact CD2-CD1 4.49Å; Y276-Y425 AromaticContact CD2-CE1 3.72Å; Y276-Y425 HydrophobicContact CD2-CE1 3.72Å; Y276-Y425 AromaticContact CD2-CZ 3.86Å; Y276-Y425 HydrophobicContact CE1-CE1 4.36Å; Y276-Y425 HydrophobicContact CE2-CD1 4.37Å; Y276-Y425 AromaticContact CE2-CE1 3.84Å; Y276-Y425 HydrophobicContact CE2-CE1 3.84Å; Y276-Y425 AromaticContact CG-CE1 3.96Å; Y276-Y425 HydrophobicContact CG-CE1 3.96Å; Y276-Y425 AromaticContact CG-CZ 3.84Å; I278-Y425 HydrophobicContact CG2-CE2 4.42Å; I278-Y425 WeakPolarHBondContact CG2-OH 3.26Å; F279-Y425 HydrophobicContact CE1-CE2 4.5Å; F279-Y425 HydrophobicContact CE2-CD2 4.32Å; F279-Y425 AromaticContact CE2-CE2 3.75Å; F279-Y425 HydrophobicContact CE2-CE2 3.75Å; F279-Y425 AromaticContact CZ-CD2 3.82Å; F279-Y425 HydrophobicContact CZ-CD2 3.82Å; F279-Y425 AromaticContact CZ-CE2 3.59Å; F279-Y425 HydrophobicContact CZ-CE2 3.59Å; I349-Y425 HydrophobicContact CD1-CD2 3.77Å; I349-Y425 HydrophobicContact CD1-CG 4.34Å; A421-Y425 WeakPolarHBondContact O-CB 3.09Å; A421-Y425 PolarHBondContact O-N 2.66Å; A421-Y425 VanDerWaalsContact O-N 3.08Å; Y425-M428 HydrophobicContact CD2-CE 3.64Å; Y425-M428 HydrophobicContact CE2-CE 3.96Å; Y425-M428 HydrophobicContact CG-CE 4.35Å; Y425-M428 PolarHBondContact O-N 3.49Å; Y425-F429 WeakPolarHBondContact O-CB 3.11Å; Y425-F429 PolarHBondContact O-N 2.68Å |
| 426 | N | 88.1 | Confident | 90.7 | Very high | 48 Ų | 48 | 18.8 Ų | 18.8 | 26% | 0.257 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 179 | -176.1 | 101.5 | 0 | 0 | 0 | 112.9 | L261 K263 K422 S423 L424 F429 G430 | L261-N426 HydrophobicContact CD2-CB 4.4Å; K263-N426 HydrophobicContact CD-CB 3.93Å; K263-N426 WeakPolarHBondContact CE-OD1 3.49Å; K263-N426 HydrophobicContact CG-CB 4.16Å; K422-N426 VanDerWaalsContact O-CB 3.3Å; K422-N426 WeakPolarHBondContact O-CB 3.22Å; K422-N426 PolarHBondContact O-N 2.71Å; K422-N426 VanDerWaalsContact O-N 3.12Å; S423-N426 PolarHBondContact O-N 2.74Å; L424-N426 PolarHBondContact O-N 2.71Å; N426-F429 PolarHBondContact O-N 2.65Å; N426-G430 PolarHBondContact O-N 3.26Å |
| 427 | R | 89.8 | Confident | 91 | Very high | 80 Ų | 80 | 19.5 Ų | 19.5 | 30% | 0.302 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -64.6 | -44.8 | 176.4 | -71.9 | 165 | -179.2 | -104.1 | 4.9 | 110.6 | S423 L424 F429 G430 W431 L614 | S423-R427 WeakPolarHBondContact O-CB 3.31Å; S423-R427 WeakPolarHBondContact O-CD 3.42Å; S423-R427 VanDerWaalsContact O-CG 3.22Å; S423-R427 WeakPolarHBondContact O-CG 3.33Å; S423-R427 PolarHBondContact O-N 3.48Å; S423-R427 PolarHBondContact OG-NE 2.83Å; S423-R427 VanDerWaalsContact OG-NE 3.14Å; L424-R427 PolarHBondContact O-N 2.74Å; R427-F429 PolarHBondContact O-N 2.61Å; R427-G430 PolarHBondContact O-N 2.74Å; R427-W431 PolarHBondContact O-N 3.07Å; R427-L614 HydrophobicContact CB-CB 4.23Å; R427-L614 HydrophobicContact CB-CD2 4.19Å; R427-L614 WeakPolarHBondContact CD-O 3.42Å; R427-L614 PolarHBondContact NH1-O 3.26Å; R427-L614 WeakPolarHBondContact O-CD2 3.22Å |
| 428 | M | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.3 | -46.3 | 175.5 | 176.7 | 173.8 | 55.9 | 0 | 0 | 112 | Y223 L342 C345 L424 Y425 W431 L432 L614 | Y223-M428 HydrophobicContact CD1-CE 4.22Å; Y223-M428 HydrophobicContact CE1-CE 3.69Å; Y223-M428 HydrophobicContact CE1-CG 4.47Å; Y223-M428 HydrophobicContact CE1-SD 3.84Å; L342-M428 HydrophobicContact CD2-CG 3.61Å; L342-M428 HydrophobicContact CD2-SD 4.02Å; C345-M428 HydrophobicContact CB-CE 4.39Å; C345-M428 HydrophobicContact CB-SD 3.44Å; C345-M428 WeakPolarHBondContact CB-SD 3.43Å; L424-M428 WeakPolarHBondContact O-CB 3.36Å; L424-M428 PolarHBondContact O-N 2.68Å; Y425-M428 HydrophobicContact CD2-CE 3.64Å; Y425-M428 HydrophobicContact CE2-CE 3.96Å; Y425-M428 HydrophobicContact CG-CE 4.35Å; Y425-M428 PolarHBondContact O-N 3.49Å; M428-W431 PolarHBondContact O-N 2.74Å; M428-L432 WeakPolarHBondContact O-CB 3.47Å; M428-L432 PolarHBondContact O-N 2.72Å; M428-L614 HydrophobicContact CB-CD1 4.01Å |
| 429 | F | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.4 | -42.1 | 177.2 | -171.4 | -107.3 | 0 | 0 | 0 | 112.5 | L220 F237 H258 L261 Y425 N426 R427 W431 L432 V433 | L220-F429 HydrophobicContact CD2-CE2 4.27Å; L220-F429 HydrophobicContact CD2-CZ 4.42Å; F237-F429 HydrophobicContact CB-CE1 4.34Å; F237-F429 HydrophobicContact CD1-CZ 4.14Å; F237-F429 AromaticContact CD2-CE1 3.77Å; F237-F429 HydrophobicContact CD2-CE1 3.77Å; F237-F429 AromaticContact CD2-CZ 3.58Å; F237-F429 HydrophobicContact CD2-CZ 3.58Å; F237-F429 HydrophobicContact CE1-CZ 4.2Å; F237-F429 HydrophobicContact CE2-CE1 4.21Å; F237-F429 AromaticContact CE2-CZ 3.62Å; F237-F429 HydrophobicContact CE2-CZ 3.62Å; F237-F429 HydrophobicContact CG-CE1 4.06Å; F237-F429 AromaticContact CG-CZ 3.84Å; F237-F429 HydrophobicContact CG-CZ 3.84Å; F237-F429 AromaticContact CZ-CZ 3.95Å; F237-F429 HydrophobicContact CZ-CZ 3.95Å; H258-F429 HydrophobicContact CB-CE1 4.12Å; L261-F429 HydrophobicContact CD1-CD1 4.05Å; L261-F429 HydrophobicContact CD1-CE1 4.11Å; L261-F429 HydrophobicContact CD1-CG 4.36Å; L261-F429 HydrophobicContact CD1-CZ 4.48Å; L261-F429 HydrophobicContact CD2-CB 3.81Å; L261-F429 HydrophobicContact CD2-CD1 3.89Å; L261-F429 HydrophobicContact CD2-CG 3.96Å; L261-F429 HydrophobicContact CG-CD1 4.4Å; Y425-F429 WeakPolarHBondContact O-CB 3.11Å; Y425-F429 PolarHBondContact O-N 2.68Å; N426-F429 PolarHBondContact O-N 2.65Å; R427-F429 PolarHBondContact O-N 2.61Å; F429-W431 VanDerWaalsContact C-N 3.34Å; F429-W431 PolarHBondContact O-N 2.69Å; F429-L432 HydrophobicContact CD2-CD2 4.36Å; F429-L432 WeakPolarHBondContact O-CB 3.26Å; F429-L432 PolarHBondContact O-N 2.65Å; F429-V433 HydrophobicContact CD1-CG2 4.42Å; F429-V433 HydrophobicContact CE1-CG2 4.12Å; F429-V433 HydrophobicContact CZ-CG2 4.24Å; F429-V433 WeakPolarHBondContact O-CG2 3.29Å; F429-V433 PolarHBondContact O-N 3.47Å |
| 430 | G | 90.6 | Very high | 90.9 | Very high | 21 Ų | 21 | 27.3 Ų | 27.3 | 22% | 0.216 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.5 | -40.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N426 R427 A434 | N426-G430 PolarHBondContact O-N 3.26Å; R427-G430 PolarHBondContact O-N 2.74Å; G430-A434 WeakPolarHBondContact O-CB 3.45Å; G430-A434 PolarHBondContact O-N 2.76Å; G430-A434 VanDerWaalsContact O-N 3.12Å |
| 431 | W | 93.6 | Very high | 90.7 | Very high | 59 Ų | 59 | 31.5 Ų | 31.5 | 22% | 0.223 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.3 | -41.9 | 173.1 | -179.6 | 94.1 | 0 | 0 | 0 | 112.3 | F334 E338 L342 R427 M428 F429 V433 A434 R435 L610 L614 | F334-W431 HydrophobicContact CE1-CH2 4.23Å; F334-W431 AromaticContact CE1-CZ3 3.98Å; F334-W431 HydrophobicContact CE1-CZ3 3.98Å; E338-W431 HydrophobicContact CB-CH2 4.18Å; E338-W431 HydrophobicContact CG-CH2 4.09Å; E338-W431 HydrophobicContact CG-CZ2 4.48Å; L342-W431 HydrophobicContact CD1-CZ3 4.07Å; L342-W431 HydrophobicContact CD2-CE3 4Å; L342-W431 HydrophobicContact CD2-CZ3 3.87Å; L342-W431 HydrophobicContact CG-CZ3 3.96Å; R427-W431 PolarHBondContact O-N 3.07Å; M428-W431 PolarHBondContact O-N 2.74Å; F429-W431 VanDerWaalsContact C-N 3.34Å; F429-W431 PolarHBondContact O-N 2.69Å; W431-V433 PolarHBondContact O-N 2.8Å; W431-A434 PolarHBondContact O-N 3.46Å; W431-R435 HydrophobicContact CD2-CB 4.42Å; W431-R435 HydrophobicContact CE3-CB 4.3Å; W431-R435 HydrophobicContact CH2-CB 4.15Å; W431-R435 HydrophobicContact CH2-CG 3.84Å; W431-R435 HydrophobicContact CZ2-CB 4.26Å; W431-R435 HydrophobicContact CZ2-CG 4.12Å; W431-R435 HydrophobicContact CZ3-CB 4.18Å; W431-R435 HydrophobicContact CZ3-CG 4.23Å; W431-R435 WeakPolarHBondContact O-CB 3.37Å; W431-R435 PolarHBondContact O-N 3.45Å; W431-L610 HydrophobicContact CD2-CD1 3.44Å; W431-L610 VanDerWaalsContact CD2-CD1 3.44Å; W431-L610 VanDerWaalsContact CE2-CD1 3.49Å; W431-L610 HydrophobicContact CE3-CD1 3.75Å; W431-L610 HydrophobicContact CG-CD1 3.87Å; W431-L610 HydrophobicContact CH2-CD1 4.16Å; W431-L610 HydrophobicContact CZ2-CD1 3.88Å; W431-L610 HydrophobicContact CZ3-CD1 4.09Å; W431-L614 HydrophobicContact CB-CD2 3.53Å; W431-L614 HydrophobicContact CG-CD2 3.99Å |
| 432 | L | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.3 | -48.9 | 177.5 | -178.4 | 68.5 | 0 | 0 | 0 | 111.1 | V219 Y223 F329 F334 L342 M428 F429 A434 R435 V436 | V219-L432 HydrophobicContact CG1-CD1 3.83Å; V219-L432 HydrophobicContact CG1-CD2 4.04Å; V219-L432 HydrophobicContact CG1-CG 4.22Å; Y223-L432 HydrophobicContact CD1-CD2 4.34Å; Y223-L432 HydrophobicContact CD2-CD2 3.73Å; Y223-L432 HydrophobicContact CE2-CD2 4.37Å; Y223-L432 HydrophobicContact CG-CD2 3.72Å; F329-L432 HydrophobicContact CE1-CD1 3.92Å; F329-L432 HydrophobicContact CZ-CD1 4.34Å; F334-L432 HydrophobicContact CE1-CD1 3.92Å; F334-L432 HydrophobicContact CZ-CD1 3.83Å; L342-L432 HydrophobicContact CD1-CD1 3.78Å; L342-L432 HydrophobicContact CD2-CD1 4.37Å; M428-L432 WeakPolarHBondContact O-CB 3.47Å; M428-L432 PolarHBondContact O-N 2.72Å; F429-L432 HydrophobicContact CD2-CD2 4.36Å; F429-L432 WeakPolarHBondContact O-CB 3.26Å; F429-L432 PolarHBondContact O-N 2.65Å; L432-A434 PolarHBondContact O-N 2.72Å; L432-R435 PolarHBondContact O-N 2.62Å; L432-V436 WeakPolarHBondContact O-CG2 3.42Å; L432-V436 PolarHBondContact O-N 2.97Å |
| 433 | V | 92.1 | Very high | 89.5 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 175.9 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | L220 I256 H258 F429 W431 R435 V436 N437 | L220-V433 HydrophobicContact CD2-CG2 3.7Å; I256-V433 HydrophobicContact CB-CG1 4.39Å; I256-V433 HydrophobicContact CG2-CG1 4.47Å; I256-V433 WeakPolarHBondContact O-CG1 3.5Å; H258-V433 HydrophobicContact CB-CG2 4.2Å; F429-V433 HydrophobicContact CD1-CG2 4.42Å; F429-V433 HydrophobicContact CE1-CG2 4.12Å; F429-V433 HydrophobicContact CZ-CG2 4.24Å; F429-V433 WeakPolarHBondContact O-CG2 3.29Å; F429-V433 PolarHBondContact O-N 3.47Å; W431-V433 PolarHBondContact O-N 2.8Å; V433-R435 VanDerWaalsContact C-N 3.33Å; V433-R435 PolarHBondContact O-N 2.89Å; V433-V436 PolarHBondContact O-N 2.71Å; V433-N437 WeakPolarHBondContact O-CB 3.19Å; V433-N437 PolarHBondContact O-N 2.66Å; V433-N437 PolarHBondContact O-ND2 3.41Å |
| 434 | A | 91.6 | Very high | 89 | Confident | 58 Ų | 58 | 46 Ų | 46 | 48% | 0.479 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.6 | -36.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G430 W431 L432 N437 K438 | G430-A434 WeakPolarHBondContact O-CB 3.45Å; G430-A434 PolarHBondContact O-N 2.76Å; G430-A434 VanDerWaalsContact O-N 3.12Å; W431-A434 PolarHBondContact O-N 3.46Å; L432-A434 PolarHBondContact O-N 2.72Å; A434-N437 PolarHBondContact O-N 3.45Å; A434-K438 PolarHBondContact O-N 2.66Å |
| 435 | R | 92.1 | Very high | 88.1 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 14% | 0.143 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -72.8 | -35.1 | 179 | -177.1 | 57.4 | 178.9 | 79.1 | 8.7 | 112.7 | G333 F334 E338 W431 L432 V433 T439 | G333-R435 PolarHBondContact O-NH2 3.13Å; F334-R435 HydrophobicContact CD1-CG 4.08Å; F334-R435 HydrophobicContact CE1-CB 4.06Å; F334-R435 HydrophobicContact CE1-CG 3.41Å; F334-R435 VanDerWaalsContact CE1-CG 3.41Å; F334-R435 HydrophobicContact CE2-CG 4.27Å; F334-R435 HydrophobicContact CZ-CB 3.97Å; F334-R435 HydrophobicContact CZ-CG 3.53Å; E338-R435 IonicContact OE1-CZ 3.66Å; E338-R435 IonicContact OE1-NE 2.81Å; E338-R435 PolarHBondContact OE1-NE 2.65Å; E338-R435 IonicContact OE1-NH2 2.68Å; E338-R435 PolarHBondContact OE1-NH2 3.08Å; E338-R435 IonicContact OE2-CZ 3.15Å; E338-R435 IonicContact OE2-NE 3.22Å; E338-R435 PolarHBondContact OE2-NE 2.68Å; E338-R435 IonicContact OE2-NH2 3Å; E338-R435 PolarHBondContact OE2-NH2 2.69Å; W431-R435 HydrophobicContact CD2-CB 4.42Å; W431-R435 HydrophobicContact CE3-CB 4.3Å; W431-R435 HydrophobicContact CH2-CB 4.15Å; W431-R435 HydrophobicContact CH2-CG 3.84Å; W431-R435 HydrophobicContact CZ2-CB 4.26Å; W431-R435 HydrophobicContact CZ2-CG 4.12Å; W431-R435 HydrophobicContact CZ3-CB 4.18Å; W431-R435 HydrophobicContact CZ3-CG 4.23Å; W431-R435 WeakPolarHBondContact O-CB 3.37Å; W431-R435 PolarHBondContact O-N 3.45Å; L432-R435 PolarHBondContact O-N 2.62Å; V433-R435 VanDerWaalsContact C-N 3.33Å; V433-R435 PolarHBondContact O-N 2.89Å; R435-T439 PolarHBondContact NH1-OG1 3.19Å; R435-T439 PolarHBondContact O-N 2.93Å |
| 436 | V | 92.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -49.1 | 168.6 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | A216 I256 L332 F334 L432 V433 K438 T439 L440 | A216-V436 HydrophobicContact CB-CG1 3.9Å; I256-V436 HydrophobicContact CD1-CG1 4.28Å; L332-V436 HydrophobicContact CD1-CG2 4.4Å; F334-V436 HydrophobicContact CE2-CG2 4.05Å; F334-V436 HydrophobicContact CZ-CG2 4.02Å; L432-V436 WeakPolarHBondContact O-CG2 3.42Å; L432-V436 PolarHBondContact O-N 2.97Å; V433-V436 PolarHBondContact O-N 2.71Å; V436-K438 PolarHBondContact O-N 3.4Å; V436-T439 WeakPolarHBondContact O-CA 3.21Å; V436-T439 WeakPolarHBondContact O-CB 3.09Å; V436-T439 PolarHBondContact O-N 2.7Å; V436-L440 HydrophobicContact CG1-CD1 3.76Å; V436-L440 HydrophobicContact CG1-CG 4.19Å; V436-L440 WeakPolarHBondContact O-CG 3.36Å; V436-L440 PolarHBondContact O-N 2.75Å |
| 437 | N | 91.7 | Very high | 86.9 | Confident | 35 Ų | 35 | 59.3 Ų | 59.3 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.8 | -33.6 | 178 | -70.9 | -16.5 | 0 | 0 | 0 | 112.8 | I256 V433 A434 T439 L440 D441 | I256-N437 PolarHBondContact N-OD1 3.46Å; I256-N437 PolarHBondContact O-ND2 2.67Å; V433-N437 WeakPolarHBondContact O-CB 3.19Å; V433-N437 PolarHBondContact O-N 2.66Å; V433-N437 PolarHBondContact O-ND2 3.41Å; A434-N437 PolarHBondContact O-N 3.45Å; N437-T439 VanDerWaalsContact C-N 3.31Å; N437-T439 PolarHBondContact O-N 2.69Å; N437-L440 PolarHBondContact O-N 2.68Å; N437-D441 WeakPolarHBondContact O-CB 3.22Å; N437-D441 PolarHBondContact O-N 2.72Å |
| 438 | K | 89.2 | Confident | 86.9 | Confident | 159 Ų | 159 | 57.2 Ų | 57.2 | 69% | 0.691 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -67.4 | -25.9 | 174.2 | -172.3 | 179.3 | 178.2 | -175.6 | 0 | 113.7 | A434 V436 | A434-K438 PolarHBondContact O-N 2.66Å; V436-K438 PolarHBondContact O-N 3.4Å |
| 439 | T | 87 | Confident | 86.8 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 17% | 0.172 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -80 | -38.2 | 171.1 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | L332 R435 V436 N437 D441 | L332-T439 VanDerWaalsContact O-CG2 3.26Å; L332-T439 WeakPolarHBondContact O-CG2 3.24Å; L332-T439 PolarHBondContact O-OG1 2.64Å; R435-T439 PolarHBondContact NH1-OG1 3.19Å; R435-T439 PolarHBondContact O-N 2.93Å; V436-T439 WeakPolarHBondContact O-CA 3.21Å; V436-T439 WeakPolarHBondContact O-CB 3.09Å; V436-T439 PolarHBondContact O-N 2.7Å; N437-T439 VanDerWaalsContact C-N 3.31Å; N437-T439 PolarHBondContact O-N 2.69Å; T439-D441 VanDerWaalsContact C-N 3.28Å; T439-D441 PolarHBondContact O-N 3.12Å |
| 440 | L | 87.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -78.9 | -8.3 | -177.8 | -58.5 | -179.6 | 0 | 0 | 0 | 114.1 | Q212 I213 A216 G253 A254 I256 V436 N437 | Q212-L440 HydrophobicContact CB-CD2 3.85Å; I213-L440 HydrophobicContact CG1-CD2 3.83Å; A216-L440 HydrophobicContact CB-CD1 4.5Å; G253-L440 CarbonylContact C-O 3.56Å; G253-L440 VanDerWaalsContact CA-O 3.26Å; G253-L440 WeakPolarHBondContact CA-O 3.16Å; A254-L440 HydrophobicContact CB-CB 4.19Å; A254-L440 HydrophobicContact CB-CD1 4.15Å; A254-L440 PolarHBondContact N-O 3.35Å; A254-L440 CarbonylContact O-C 3.58Å; A254-L440 WeakPolarHBondContact O-CB 3.23Å; I256-L440 HydrophobicContact CD1-CD1 4.24Å; I256-L440 HydrophobicContact CG1-CD1 4.45Å; V436-L440 HydrophobicContact CG1-CD1 3.76Å; V436-L440 HydrophobicContact CG1-CG 4.19Å; V436-L440 WeakPolarHBondContact O-CG 3.36Å; V436-L440 PolarHBondContact O-N 2.75Å; N437-L440 PolarHBondContact O-N 2.68Å |
| 441 | D | 84.7 | Confident | 86.9 | Confident | 90 Ų | 90 | 57.7 Ų | 57.7 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | trans | -81.1 | 131.8 | 173.4 | -172.4 | 25 | 0 | 0 | 0 | 111.9 | N437 T439 R446 | N437-D441 WeakPolarHBondContact O-CB 3.22Å; N437-D441 PolarHBondContact O-N 2.72Å; T439-D441 VanDerWaalsContact C-N 3.28Å; T439-D441 PolarHBondContact O-N 3.12Å; D441-R446 VanDerWaalsContact CG-NH2 3.31Å; D441-R446 IonicContact OD1-CZ 3.95Å; D441-R446 IonicContact OD1-NE 2.74Å; D441-R446 IonicContact OD1-NH2 2.64Å; D441-R446 PolarHBondContact OD1-NH2 2.89Å | ||
| 442 | T | 81.7 | Confident | 86.9 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 27% | 0.27 | 27% | 0.267 | S | S | . | . | trans | -132 | 159.8 | 177.3 | 99.3 | 0 | 0 | 0 | 0 | 111.4 | L209 A252 V444 | L209-T442 HydrophobicContact CD1-CG2 4Å; L209-T442 HydrophobicContact CD2-CG2 3.96Å; A252-T442 WeakPolarHBondContact O-CG2 3.08Å; A252-T442 PolarHBondContact O-OG1 2.73Å; T442-V444 PolarHBondContact O-N 3.09Å; T442-V444 VanDerWaalsContact O-N 3.1Å; T442-V444 WeakPolarHBondContact OG1-CG2 3.26Å; T442-V444 PolarHBondContact OG1-N 3.43Å | ||
| 443 | K | 75 | Confident | 86.7 | Confident | 220 Ų | 220 | 55 Ų | 55 | 96% | 0.957 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -71.4 | 2.9 | 178.7 | -59.1 | -172.5 | 179 | -173.9 | 0 | 114.3 | ||
| 444 | V | 76.7 | Confident | 86.4 | Confident | 79 Ų | 79 | 54.7 Ų | 54.7 | 48% | 0.479 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -76.4 | 137.2 | 177.4 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | A252 T442 R446 | A252-V444 HydrophobicContact CB-CB 3.91Å; A252-V444 HydrophobicContact CB-CG1 3.6Å; T442-V444 PolarHBondContact O-N 3.09Å; T442-V444 VanDerWaalsContact O-N 3.1Å; T442-V444 WeakPolarHBondContact OG1-CG2 3.26Å; T442-V444 PolarHBondContact OG1-N 3.43Å; V444-R446 PolarHBondContact O-N 3.31Å |
| 445 | K | 74 | Confident | 85.9 | Confident | 141 Ų | 141 | 52.6 Ų | 52.6 | 61% | 0.613 | 25% | 0.246 | S | C | * | . | trans | -62.6 | 106.5 | -179.9 | -65.8 | -173 | 179.9 | -177 | 0 | 110.8 | ||||
| 446 | R | 79.8 | Confident | 85 | Confident | 83 Ų | 83 | 51.2 Ų | 51.2 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | trans | -66.6 | 122.7 | 167.8 | -54.3 | 173.6 | 179.6 | -139.7 | 8.9 | 108.4 | H244 D255 D441 V444 | H244-R446 HydrophobicContact CB-CB 4.11Å; H244-R446 HydrophobicContact CB-CG 3.88Å; H244-R446 PolarHBondContact CD2-NH1 3.48Å; H244-R446 PolarHBondContact CE1-NH1 2.66Å; H244-R446 PolarHBondContact NE2-NH1 2.64Å; D255-R446 IonicContact OD2-CZ 2.73Å; D255-R446 IonicContact OD2-NH1 3.95Å; D255-R446 PolarHBondContact OD2-NH1 2.71Å; D441-R446 VanDerWaalsContact CG-NH2 3.31Å; D441-R446 IonicContact OD1-CZ 3.95Å; D441-R446 IonicContact OD1-NE 2.74Å; D441-R446 IonicContact OD1-NH2 2.64Å; D441-R446 PolarHBondContact OD1-NH2 2.89Å; V444-R446 PolarHBondContact O-N 3.31Å | ||
| 447 | Q | 75 | Confident | 84 | Confident | 103 Ų | 103 | 51.2 Ų | 51.2 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | trans | -120.9 | -46.6 | 175 | -79.7 | -167.2 | -28.7 | 0 | 0 | 112.6 | F245 | F245-Q447 PolarHBondContact O-N 2.72Å; F245-Q447 VanDerWaalsContact O-N 3.12Å | ||
| 448 | F | 89.7 | Confident | 83.3 | Confident | 37 Ų | 37 | 49.9 Ų | 49.9 | 16% | 0.162 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 155.2 | 180 | -49 | -67.1 | 0 | 0 | 0 | 109.6 | M159 R163 N165 H244 F245 | M159-F448 HydrophobicContact CG-CB 3.7Å; M159-F448 HydrophobicContact CG-CG 4.29Å; M159-F448 HydrophobicContact SD-CB 3.67Å; R163-F448 HydrophobicContact CB-CE1 3.86Å; R163-F448 HydrophobicContact CB-CZ 3.94Å; R163-F448 HydrophobicContact CG-CZ 4.29Å; R163-F448 WeakPolarHBondContact O-CE1 3.36Å; N165-F448 VanDerWaalsContact OD1-CA 3.32Å; N165-F448 WeakPolarHBondContact OD1-CA 3.18Å; H244-F448 CarbonylContact C-O 3.52Å; H244-F448 WeakPolarHBondContact CA-O 2.99Å; F245-F448 PolarHBondContact N-O 2.76Å; F245-F448 PolarHBondContact O-N 2.77Å |
| 449 | F | 92.2 | Very high | 82.6 | Confident | 30 Ų | 30 | 42.3 Ų | 42.3 | 13% | 0.132 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 154 | 170.3 | 71.1 | -90.8 | 0 | 0 | 0 | 112.6 | N165 Q166 F240 R242 I243 T652 | N165-F449 HydrophobicContact CB-CD1 4.12Å; N165-F449 HydrophobicContact CB-CE1 3.84Å; N165-F449 HydrophobicContact CB-CE2 4.41Å; N165-F449 HydrophobicContact CB-CZ 3.99Å; N165-F449 VanDerWaalsContact CG-CE1 3.43Å; N165-F449 VanDerWaalsContact OD1-CD1 3.27Å; N165-F449 WeakPolarHBondContact OD1-CD1 3.45Å; N165-F449 PolarHBondContact OD1-N 2.88Å; Q166-F449 PolarHBondContact N-O 3.3Å; Q166-F449 VanDerWaalsContact N-O 3.12Å; F240-F449 HydrophobicContact CZ-CE2 4.48Å; R242-F449 HydrophobicContact CB-CB 4.39Å; R242-F449 HydrophobicContact CB-CD2 4.04Å; R242-F449 HydrophobicContact CB-CG 4.37Å; R242-F449 HydrophobicContact CG-CD2 3.67Å; R242-F449 HydrophobicContact CG-CE2 3.93Å; R242-F449 HydrophobicContact CG-CG 4.35Å; I243-F449 CarbonylContact O-C 3.43Å; I243-F449 WeakPolarHBondContact O-CA 3.49Å; I243-F449 WeakPolarHBondContact O-CB 3.16Å; F449-T652 HydrophobicContact CE2-CG2 3.8Å; F449-T652 HydrophobicContact CZ-CG2 3.77Å |
| 450 | I | 94 | Very high | 82.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117 | 164.3 | -57.3 | 176.4 | 0 | 0 | 0 | 107.3 | M159 Q166 I168 F189 I243 F245 | M159-I450 HydrophobicContact SD-CD1 4.17Å; M159-I450 HydrophobicContact SD-CG1 3.79Å; Q166-I450 HydrophobicContact CB-CG1 4.33Å; Q166-I450 CarbonylContact O-C 3.57Å; Q166-I450 WeakPolarHBondContact O-CA 3.39Å; I168-I450 HydrophobicContact CD1-CG2 4.01Å; I168-I450 HydrophobicContact CG1-CG2 4.15Å; F189-I450 HydrophobicContact CE1-CD1 3.92Å; F189-I450 HydrophobicContact CE2-CD1 4.22Å; F189-I450 HydrophobicContact CE2-CG2 4.14Å; F189-I450 HydrophobicContact CZ-CD1 3.63Å; F189-I450 HydrophobicContact CZ-CG2 4.19Å; I243-I450 PolarHBondContact N-O 2.67Å; I243-I450 PolarHBondContact O-N 3.26Å; F245-I450 HydrophobicContact CD2-CG1 4.35Å; F245-I450 HydrophobicContact CE2-CB 4.02Å; F245-I450 HydrophobicContact CE2-CD1 3.75Å; F245-I450 HydrophobicContact CE2-CG1 3.65Å; F245-I450 HydrophobicContact CZ-CD1 4.01Å; F245-I450 HydrophobicContact CZ-CG1 4.4Å |
| 451 | G | 92.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 106.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q166 S167 I168 I241 | Q166-G451 PolarHBondContact O-N 2.69Å; S167-G451 CarbonylContact C-O 3.59Å; S167-G451 WeakPolarHBondContact CA-O 3.32Å; S167-G451 WeakPolarHBondContact CB-O 3.24Å; I168-G451 PolarHBondContact N-O 2.68Å; I241-G451 WeakPolarHBondContact O-CA 3.31Å |
| 452 | V | 92.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 123.1 | 176.8 | -167.3 | 0 | 0 | 0 | 0 | 109.4 | I168 I170 T182 V185 F240 I241 | I168-V452 HydrophobicContact CB-CG1 4.45Å; I168-V452 WeakPolarHBondContact O-CA 3.12Å; I170-V452 HydrophobicContact CD1-CG1 4.18Å; T182-V452 HydrophobicContact CG2-CG1 3.95Å; V185-V452 HydrophobicContact CG1-CG1 4.39Å; V185-V452 HydrophobicContact CG1-CG2 3.78Å; F240-V452 WeakPolarHBondContact CA-O 3.13Å; I241-V452 PolarHBondContact N-O 2.87Å; I241-V452 PolarHBondContact O-N 3.37Å |
| 453 | L | 90.6 | Very high | 80.6 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.6 | 179.2 | -179.2 | 62.3 | 0 | 0 | 0 | 111.1 | I168 L169 I170 F240 L478 L645 L649 | I168-L453 PolarHBondContact O-N 2.95Å; L169-L453 HydrophobicContact CD2-CD2 4.35Å; L169-L453 HydrophobicContact CG-CD2 4.41Å; I170-L453 PolarHBondContact N-O 3.4Å; F240-L453 HydrophobicContact CB-CD1 4.23Å; F240-L453 HydrophobicContact CD2-CB 4.02Å; F240-L453 HydrophobicContact CD2-CD1 4.23Å; L453-L478 HydrophobicContact CD2-CD1 4.03Å; L453-L478 HydrophobicContact CD2-CD2 3.75Å; L453-L645 HydrophobicContact CD1-CD1 4.25Å; L453-L645 HydrophobicContact CD1-CD2 4.13Å; L453-L649 HydrophobicContact CD2-CD1 4.09Å |
| 454 | D | 85.8 | Confident | 81 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 126.1 | 169.7 | -175.1 | 30.8 | 0 | 0 | 0 | 108.7 | K178 T179 T182 K239 | K178-D454 WeakPolarHBondContact CB-OD1 3.29Å; T179-D454 VanDerWaalsContact CA-OD2 3.27Å; T179-D454 WeakPolarHBondContact CA-OD2 2.98Å; T179-D454 WeakPolarHBondContact CB-OD2 3.41Å; T179-D454 WeakPolarHBondContact CG2-OD2 3.36Å; T179-D454 PolarHBondContact N-OD1 2.9Å; T179-D454 PolarHBondContact OG1-OD1 3.07Å; T179-D454 PolarHBondContact OG1-OD2 3.39Å; T182-D454 HydrophobicContact CG2-CB 4.05Å; T182-D454 WeakPolarHBondContact OG1-CB 3.43Å; K239-D454 WeakPolarHBondContact CE-OD2 3.11Å; K239-D454 HydrophobicContact CG-CB 3.89Å; K239-D454 PolarHBondContact N-O 3.38Å; K239-D454 IonicContact NZ-OD2 3.58Å; K239-D454 PolarHBondContact O-N 2.72Å; K239-D454 VanDerWaalsContact O-O 3.13Å |
| 455 | I | 80.6 | Confident | 81.4 | Confident | 14 Ų | 14 | 33.9 Ų | 33.9 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | trans | -140.1 | 156.3 | -172 | -166.3 | 163.8 | 0 | 0 | 0 | 111.6 | K178 G457 T474 L478 | K178-I455 WeakPolarHBondContact CE-O 3Å; I455-G457 PolarHBondContact O-N 3.04Å; I455-T474 HydrophobicContact CD1-CG2 3.41Å; I455-T474 VanDerWaalsContact CD1-CG2 3.41Å; I455-L478 HydrophobicContact CD1-CD1 3.96Å; I455-L478 HydrophobicContact CG2-CD1 3.96Å | ||
| 456 | A | 72.3 | Confident | 81.9 | Confident | 9 Ų | 9 | 27.4 Ų | 27.4 | 7% | 0.074 | 14% | 0.137 | C | C | . | . | trans | -50.7 | 130.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | I471 N475 | A456-I471 HydrophobicContact CB-CD1 4.36Å; A456-I471 HydrophobicContact CB-CG1 4.36Å; A456-I471 HydrophobicContact CB-CG2 3.9Å; A456-N475 PolarHBondContact O-ND2 2.99Å | ||
| 457 | G | 71.2 | Confident | 81.9 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | trans | -72.3 | 175 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | G172 I455 I471 | G172-G457 WeakPolarHBondContact O-CA 3.34Å; I455-G457 PolarHBondContact O-N 3.04Å; G457-I471 WeakPolarHBondContact O-CG2 2.96Å | ||
| 458 | F | 77.8 | Confident | 82.3 | Confident | 6 Ų | 6 | 20 Ų | 20 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | trans | -58.4 | 137.8 | 166.6 | -156.1 | -81.8 | 0 | 0 | 0 | 110.1 | I460 N472 N475 H575 Y576 A577 V580 | F458-I460 HydrophobicContact CD1-CD1 4.26Å; F458-I460 HydrophobicContact CD1-CG1 3.87Å; F458-I460 HydrophobicContact CE1-CD1 3.93Å; F458-I460 HydrophobicContact CE1-CG1 3.66Å; F458-N472 HydrophobicContact CD2-CB 4.13Å; F458-N472 HydrophobicContact CE1-CB 4.47Å; F458-N472 HydrophobicContact CE2-CB 3.61Å; F458-N472 HydrophobicContact CZ-CB 3.79Å; F458-N475 HydrophobicContact CB-CB 4.39Å; F458-N475 HydrophobicContact CD2-CB 3.89Å; F458-N475 PolarHBondContact N-OD1 3.07Å; F458-H575 HydrophobicContact CE2-CB 3.78Å; F458-H575 AromaticContact CE2-CG 3.93Å; F458-H575 HydrophobicContact CZ-CB 3.45Å; F458-H575 VanDerWaalsContact CZ-CB 3.45Å; F458-H575 AromaticContact CZ-CD2 3.92Å; F458-H575 AromaticContact CZ-CG 3.57Å; F458-Y576 HydrophobicContact CD2-CD1 4.45Å; F458-Y576 AromaticContact CD2-CE1 3.67Å; F458-Y576 HydrophobicContact CD2-CE1 3.67Å; F458-Y576 HydrophobicContact CE2-CD1 4.4Å; F458-Y576 HydrophobicContact CE2-CE1 4.03Å; F458-A577 HydrophobicContact CB-CB 4.4Å; F458-A577 HydrophobicContact CD1-CB 3.6Å; F458-A577 HydrophobicContact CD2-CB 3.9Å; F458-A577 HydrophobicContact CE1-CB 3.76Å; F458-A577 HydrophobicContact CE2-CB 4.05Å; F458-A577 HydrophobicContact CG-CB 3.69Å; F458-A577 HydrophobicContact CZ-CB 3.99Å; F458-V580 HydrophobicContact CE1-CG2 3.69Å; F458-V580 HydrophobicContact CZ-CG2 3.86Å | ||
| 459 | E | 74.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -131.9 | 130.3 | -177.1 | -70 | -169.3 | 151.3 | 0 | 0 | 111.9 | S174 R236 F461 N472 | S174-E459 VanDerWaalsContact CB-OE1 3.29Å; S174-E459 WeakPolarHBondContact CB-OE1 3.18Å; S174-E459 PolarHBondContact OG-OE1 3.32Å; R236-E459 IonicContact CZ-OE1 3.65Å; R236-E459 IonicContact CZ-OE2 3.1Å; R236-E459 VanDerWaalsContact CZ-OE2 3.27Å; R236-E459 IonicContact NH1-OE1 3.1Å; R236-E459 PolarHBondContact NH1-OE1 2.83Å; R236-E459 IonicContact NH1-OE2 3.52Å; R236-E459 PolarHBondContact NH1-OE2 3.17Å; R236-E459 IonicContact NH2-OE2 2.71Å; R236-E459 PolarHBondContact NH2-OE2 2.73Å; E459-F461 HydrophobicContact CB-CD2 4.4Å; E459-F461 HydrophobicContact CB-CE2 3.8Å; E459-F461 HydrophobicContact CB-CZ 3.98Å; E459-F461 HydrophobicContact CG-CE2 4.28Å; E459-F461 HydrophobicContact CG-CZ 4.07Å; E459-F461 WeakPolarHBondContact OE2-CE2 3.19Å; E459-N472 PolarHBondContact N-OD1 2.78Å; E459-N472 PolarHBondContact O-ND2 3.01Å; E459-N472 PolarHBondContact O-OD1 3.42Å | ||
| 460 | I | 76.2 | Confident | 82 | Confident | 49 Ų | 49 | 16.9 Ų | 16.9 | 25% | 0.251 | 9% | 0.092 | S | C | . | . | trans | -127.8 | 108.1 | 176 | -49.1 | -177.6 | 0 | 0 | 0 | 107.5 | R230 F458 V580 | R230-I460 PolarHBondContact NH2-O 2.68Å; F458-I460 HydrophobicContact CD1-CD1 4.26Å; F458-I460 HydrophobicContact CD1-CG1 3.87Å; F458-I460 HydrophobicContact CE1-CD1 3.93Å; F458-I460 HydrophobicContact CE1-CG1 3.66Å; I460-V580 HydrophobicContact CD1-CG2 4.15Å; I460-V580 HydrophobicContact CG1-CG2 4Å | ||
| 461 | F | 75.3 | Confident | 81.5 | Confident | 22 Ų | 22 | 17.3 Ų | 17.3 | 10% | 0.096 | 9% | 0.094 | C | C | . | . | trans | -113.2 | 175 | 177.4 | -58.5 | -53.9 | 0 | 0 | 0 | 111.2 | T229 E459 E463 N464 Q468 | T229-F461 WeakPolarHBondContact OG1-CE1 3.49Å; E459-F461 HydrophobicContact CB-CD2 4.4Å; E459-F461 HydrophobicContact CB-CE2 3.8Å; E459-F461 HydrophobicContact CB-CZ 3.98Å; E459-F461 HydrophobicContact CG-CE2 4.28Å; E459-F461 HydrophobicContact CG-CZ 4.07Å; E459-F461 WeakPolarHBondContact OE2-CE2 3.19Å; F461-E463 PolarHBondContact O-N 3.44Å; F461-N464 PolarHBondContact N-OD1 3.49Å; F461-N464 PolarHBondContact O-ND2 3.21Å; F461-Q468 HydrophobicContact CD2-CG 3.95Å; F461-Q468 HydrophobicContact CE2-CG 4.25Å | ||
| 462 | T | 71.9 | Confident | 81.3 | Confident | 129 Ų | 129 | 17.3 Ų | 17.3 | 79% | 0.791 | 9% | 0.094 | S | C | * | . | S | Bend | trans | -70.2 | -18.7 | 174.3 | 48.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 463 | E | 75.6 | Confident | 81.1 | Confident | 81 Ų | 81 | 17.3 Ų | 17.3 | 38% | 0.379 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -140.5 | 123.5 | 174.2 | -177.4 | 179.4 | 172.8 | 0 | 0 | 106.8 | M270 F461 | M270-E463 HydrophobicContact CE-CB 4.12Å; M270-E463 HydrophobicContact CE-CG 4.2Å; M270-E463 WeakPolarHBondContact CE-O 3.46Å; F461-E463 PolarHBondContact O-N 3.44Å |
| 464 | N | 82.5 | Confident | 81 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -122 | 114.5 | -177.1 | -53.9 | -75.8 | 0 | 0 | 0 | 108.8 | F461 Q468 V580 P581 Y582 T583 | F461-N464 PolarHBondContact N-OD1 3.49Å; F461-N464 PolarHBondContact O-ND2 3.21Å; N464-Q468 HydrophobicContact CB-CB 3.98Å; N464-Q468 HydrophobicContact CB-CG 4.31Å; N464-V580 HydrophobicContact CB-CG1 4.13Å; N464-P581 WeakPolarHBondContact CB-O 2.98Å; N464-P581 PolarHBondContact ND2-O 2.95Å; N464-Y582 HydrophobicContact CB-CD1 3.56Å; N464-Y582 HydrophobicContact CB-CE1 3.81Å; N464-Y582 HydrophobicContact CB-CG 4.4Å; N464-Y582 WeakPolarHBondContact O-CA 3.08Å; N464-T583 PolarHBondContact O-N 3.33Å | ||
| 465 | G | 85 | Confident | 81 | Confident | 5 Ų | 5 | 17.8 Ų | 17.8 | 5% | 0.052 | 10% | 0.097 | C | C | . | . | trans | -96.9 | -167 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E467 Q468 I469 | G465-E467 PolarHBondContact O-N 3.27Å; G465-Q468 PolarHBondContact O-N 2.85Å; G465-I469 PolarHBondContact O-N 3.12Å; G465-I469 VanDerWaalsContact O-N 3.13Å | ||
| 466 | F | 85.1 | Confident | 81.3 | Confident | 5 Ų | 5 | 17.2 Ų | 17.2 | 2% | 0.022 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.7 | -34.3 | 178.1 | 174.8 | -114.3 | 0 | 0 | 0 | 112.5 | I469 C470 L524 L527 W587 K590 N591 I634 | F466-I469 HydrophobicContact CD2-CG2 4.43Å; F466-I469 WeakPolarHBondContact O-CG2 3.43Å; F466-C470 PolarHBondContact O-N 3.41Å; F466-C470 VanDerWaalsContact O-N 3.17Å; F466-C470 PolarHBondContact O-SG 2.74Å; F466-L524 HydrophobicContact CE2-CD2 4.35Å; F466-L527 HydrophobicContact CD2-CD2 3.7Å; F466-L527 HydrophobicContact CE2-CD2 3.45Å; F466-L527 VanDerWaalsContact CE2-CD2 3.45Å; F466-L527 HydrophobicContact CZ-CD2 4.41Å; F466-W587 HydrophobicContact CB-CD2 3.95Å; F466-W587 HydrophobicContact CB-CG 3.93Å; F466-W587 HydrophobicContact CD2-CD2 4.4Å; F466-W587 HydrophobicContact CD2-CE3 4.33Å; F466-W587 VanDerWaalsContact N-CE2 3.35Å; F466-K590 HydrophobicContact CB-CD 4.16Å; F466-K590 HydrophobicContact CD1-CB 4.16Å; F466-N591 HydrophobicContact CE1-CB 4.35Å; F466-N591 HydrophobicContact CE2-CB 4.46Å; F466-N591 HydrophobicContact CZ-CB 4.14Å; F466-N591 WeakPolarHBondContact CZ-OD1 3.37Å; F466-I634 HydrophobicContact CE1-CB 4.01Å; F466-I634 HydrophobicContact CE1-CG2 3.92Å; F466-I634 HydrophobicContact CZ-CB 4.32Å; F466-I634 HydrophobicContact CZ-CG2 4.36Å |
| 467 | E | 80.4 | Confident | 82.1 | Confident | 23 Ų | 23 | 18.8 Ų | 18.8 | 11% | 0.107 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -70.8 | -42 | 179.3 | -58 | 89.6 | 153.2 | 0 | 0 | 111.2 | E262 S264 G465 C470 I471 K590 | E262-E467 HydrophobicContact CG-CB 4.19Å; E262-E467 HydrophobicContact CG-CG 4.25Å; S264-E467 WeakPolarHBondContact CB-OE1 3.2Å; S264-E467 VanDerWaalsContact OG-CD 3.31Å; S264-E467 PolarHBondContact OG-OE1 2.92Å; G465-E467 PolarHBondContact O-N 3.27Å; E467-C470 PolarHBondContact O-N 3.2Å; E467-I471 WeakPolarHBondContact O-CG1 3.13Å; E467-I471 PolarHBondContact O-N 2.93Å; E467-K590 VanDerWaalsContact CD-NZ 3.27Å; E467-K590 WeakPolarHBondContact OE1-CD 3.18Å; E467-K590 WeakPolarHBondContact OE1-CE 3.49Å; E467-K590 IonicContact OE1-NZ 3.92Å; E467-K590 PolarHBondContact OE1-NZ 2.82Å; E467-K590 IonicContact OE2-NZ 2.65Å; E467-K590 PolarHBondContact OE2-NZ 2.99Å |
| 468 | Q | 84.1 | Confident | 82.8 | Confident | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.033 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.8 | -43.1 | 176.8 | -73.9 | 64.5 | 44 | 0 | 0 | 111.6 | E262 F461 N464 G465 C470 I471 N472 Y582 | E262-Q468 PolarHBondContact OE1-NE2 2.73Å; F461-Q468 HydrophobicContact CD2-CG 3.95Å; F461-Q468 HydrophobicContact CE2-CG 4.25Å; N464-Q468 HydrophobicContact CB-CB 3.98Å; N464-Q468 HydrophobicContact CB-CG 4.31Å; G465-Q468 PolarHBondContact O-N 2.85Å; Q468-C470 VanDerWaalsContact C-N 3.29Å; Q468-C470 PolarHBondContact O-N 3.1Å; Q468-I471 PolarHBondContact O-N 3.46Å; Q468-N472 WeakPolarHBondContact O-CB 3.04Å; Q468-N472 PolarHBondContact O-N 3.08Å; Q468-Y582 HydrophobicContact CB-CE1 4.33Å |
| 469 | I | 88.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.3 | -34.2 | 175.2 | -170.3 | 167.1 | 0 | 0 | 0 | 111.5 | G465 F466 Y473 I523 F571 L573 Y582 W587 | G465-I469 PolarHBondContact O-N 3.12Å; G465-I469 VanDerWaalsContact O-N 3.13Å; F466-I469 HydrophobicContact CD2-CG2 4.43Å; F466-I469 WeakPolarHBondContact O-CG2 3.43Å; I469-Y473 WeakPolarHBondContact O-CB 3.43Å; I469-Y473 PolarHBondContact O-N 3Å; I469-I523 HydrophobicContact CD1-CG2 4.2Å; I469-F571 HydrophobicContact CD1-CE2 4.45Å; I469-F571 HydrophobicContact CD1-CZ 4.16Å; I469-L573 HydrophobicContact CD1-CD1 3.96Å; I469-Y582 HydrophobicContact CB-CD1 4.02Å; I469-Y582 HydrophobicContact CB-CE1 3.57Å; I469-Y582 HydrophobicContact CD1-CE2 4.49Å; I469-Y582 HydrophobicContact CG1-CE1 4.28Å; I469-W587 HydrophobicContact CB-CH2 4.24Å; I469-W587 HydrophobicContact CD1-CH2 4.03Å; I469-W587 HydrophobicContact CD1-CZ3 4.44Å; I469-W587 HydrophobicContact CG2-CH2 3.61Å; I469-W587 HydrophobicContact CG2-CZ2 4.07Å; I469-W587 HydrophobicContact CG2-CZ3 4.12Å |
| 470 | C | 86.6 | Confident | 83.9 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.1 | -39.1 | 173.9 | -70.1 | 0 | 0 | 0 | 0 | 112.8 | L260 F466 E467 Q468 T474 H638 | L260-C470 HydrophobicContact CD1-CB 4.02Å; L260-C470 HydrophobicContact CD2-CB 3.67Å; F466-C470 PolarHBondContact O-N 3.41Å; F466-C470 VanDerWaalsContact O-N 3.17Å; F466-C470 PolarHBondContact O-SG 2.74Å; E467-C470 PolarHBondContact O-N 3.2Å; Q468-C470 VanDerWaalsContact C-N 3.29Å; Q468-C470 PolarHBondContact O-N 3.1Å; C470-T474 PolarHBondContact O-N 3.37Å; C470-T474 PolarHBondContact O-OG1 3.23Å; C470-H638 PolarHBondContact O-NE2 3.43Å; C470-H638 VanDerWaalsContact O-NE2 3.08Å |
| 471 | I | 83.4 | Confident | 84.4 | Confident | 9 Ų | 9 | 18.1 Ų | 18.1 | 5% | 0.046 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.4 | -49.3 | 174.7 | -67.9 | 168 | 0 | 0 | 0 | 110.7 | L260 A456 G457 E467 Q468 T474 N475 | L260-I471 HydrophobicContact CD2-CG1 3.73Å; A456-I471 HydrophobicContact CB-CD1 4.36Å; A456-I471 HydrophobicContact CB-CG1 4.36Å; A456-I471 HydrophobicContact CB-CG2 3.9Å; G457-I471 WeakPolarHBondContact O-CG2 2.96Å; E467-I471 WeakPolarHBondContact O-CG1 3.13Å; E467-I471 PolarHBondContact O-N 2.93Å; Q468-I471 PolarHBondContact O-N 3.46Å; I471-T474 WeakPolarHBondContact O-CB 3.12Å; I471-T474 PolarHBondContact O-N 2.71Å; I471-T474 VanDerWaalsContact O-N 3.12Å; I471-N475 PolarHBondContact O-N 3.16Å; I471-N475 PolarHBondContact O-ND2 3.38Å |
| 472 | N | 87.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -67.3 | -41.7 | -176.7 | -70.8 | -13 | 0 | 0 | 0 | 111.6 | F458 E459 Q468 T474 N475 E476 Y582 | F458-N472 HydrophobicContact CD2-CB 4.13Å; F458-N472 HydrophobicContact CE1-CB 4.47Å; F458-N472 HydrophobicContact CE2-CB 3.61Å; F458-N472 HydrophobicContact CZ-CB 3.79Å; E459-N472 PolarHBondContact N-OD1 2.78Å; E459-N472 PolarHBondContact O-ND2 3.01Å; E459-N472 PolarHBondContact O-OD1 3.42Å; Q468-N472 WeakPolarHBondContact O-CB 3.04Å; Q468-N472 PolarHBondContact O-N 3.08Å; N472-T474 PolarHBondContact O-N 3.3Å; N472-N475 PolarHBondContact O-N 3.04Å; N472-N475 VanDerWaalsContact O-N 3.14Å; N472-E476 PolarHBondContact O-N 3.28Å; N472-Y582 PolarHBondContact ND2-OH 2.73Å; N472-Y582 VanDerWaalsContact ND2-OH 3.09Å |
| 473 | Y | 89.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -54.9 | -39.8 | 169.6 | 170.5 | -126.6 | 0 | 0 | 0 | 112.5 | I469 E476 R477 I514 I517 E518 L524 L642 | I469-Y473 WeakPolarHBondContact O-CB 3.43Å; I469-Y473 PolarHBondContact O-N 3Å; Y473-E476 WeakPolarHBondContact O-CB 2.93Å; Y473-E476 PolarHBondContact O-N 2.84Å; Y473-R477 HydrophobicContact CD2-CG 4.24Å; Y473-R477 HydrophobicContact CE2-CG 3.56Å; Y473-R477 PolarHBondContact O-N 2.78Å; Y473-R477 PolarHBondContact OH-NE 2.91Å; Y473-I514 HydrophobicContact CE2-CG2 4.32Å; Y473-I517 HydrophobicContact CD1-CG2 4.27Å; Y473-I517 HydrophobicContact CD2-CB 4.01Å; Y473-I517 HydrophobicContact CD2-CD1 3.95Å; Y473-I517 HydrophobicContact CD2-CG2 3.63Å; Y473-I517 HydrophobicContact CE2-CB 4.4Å; Y473-I517 HydrophobicContact CE2-CG2 4.16Å; Y473-I517 HydrophobicContact CG-CD1 4.46Å; Y473-I517 HydrophobicContact CG-CG2 3.74Å; Y473-E518 HydrophobicContact CE2-CB 4.33Å; Y473-E518 PolarHBondContact OH-OE2 3.24Å; Y473-L524 HydrophobicContact CD1-CD1 4.15Å; Y473-L524 HydrophobicContact CE1-CD1 4.2Å; Y473-L642 HydrophobicContact CD1-CD2 4.12Å; Y473-L642 HydrophobicContact CE1-CD2 3.66Å |
| 474 | T | 87.5 | Confident | 85.7 | Confident | 6 Ų | 6 | 10.4 Ų | 10.4 | 4% | 0.037 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -69.8 | -37.6 | 178.9 | -49.1 | 0 | 0 | 0 | 0 | 111.9 | I455 C470 I471 N472 R477 L478 H638 L642 | I455-T474 HydrophobicContact CD1-CG2 3.41Å; I455-T474 VanDerWaalsContact CD1-CG2 3.41Å; C470-T474 PolarHBondContact O-N 3.37Å; C470-T474 PolarHBondContact O-OG1 3.23Å; I471-T474 WeakPolarHBondContact O-CB 3.12Å; I471-T474 PolarHBondContact O-N 2.71Å; I471-T474 VanDerWaalsContact O-N 3.12Å; N472-T474 PolarHBondContact O-N 3.3Å; T474-R477 PolarHBondContact O-N 3.19Å; T474-L478 HydrophobicContact CG2-CD1 4.41Å; T474-L478 WeakPolarHBondContact O-CG 3.49Å; T474-L478 PolarHBondContact O-N 3.43Å; T474-L478 VanDerWaalsContact O-N 3.07Å; T474-H638 PolarHBondContact OG1-CE1 3.16Å; T474-H638 PolarHBondContact OG1-NE2 3.17Å; T474-L642 HydrophobicContact CG2-CD1 3.68Å; T474-L642 HydrophobicContact CG2-CD2 3.93Å; T474-L642 HydrophobicContact CG2-CG 4.44Å |
| 475 | N | 85.5 | Confident | 85.6 | Confident | 6 Ų | 6 | 12.2 Ų | 12.2 | 3% | 0.032 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.6 | -38.5 | 173.2 | -77.5 | -96.2 | 0 | 0 | 0 | 111.3 | A456 F458 I471 N472 R477 L478 Q479 Y576 | A456-N475 PolarHBondContact O-ND2 2.99Å; F458-N475 HydrophobicContact CB-CB 4.39Å; F458-N475 HydrophobicContact CD2-CB 3.89Å; F458-N475 PolarHBondContact N-OD1 3.07Å; I471-N475 PolarHBondContact O-N 3.16Å; I471-N475 PolarHBondContact O-ND2 3.38Å; N472-N475 PolarHBondContact O-N 3.04Å; N472-N475 VanDerWaalsContact O-N 3.14Å; N475-R477 PolarHBondContact O-N 2.79Å; N475-L478 PolarHBondContact O-N 2.79Å; N475-Q479 WeakPolarHBondContact O-CB 3.01Å; N475-Q479 PolarHBondContact O-N 2.8Å; N475-Y576 HydrophobicContact CB-CE1 4.16Å |
| 476 | E | 87.8 | Confident | 85.1 | Confident | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -56.9 | -48.9 | 172.4 | -152.5 | 80.6 | -142.9 | 0 | 0 | 111.3 | N472 Y473 L478 Q479 Q480 L510 C513 I514 H575 Y576 | N472-E476 PolarHBondContact O-N 3.28Å; Y473-E476 WeakPolarHBondContact O-CB 2.93Å; Y473-E476 PolarHBondContact O-N 2.84Å; E476-L478 VanDerWaalsContact C-N 3.34Å; E476-L478 PolarHBondContact O-N 3.4Å; E476-Q479 PolarHBondContact O-N 3.19Å; E476-Q480 WeakPolarHBondContact O-CB 3.3Å; E476-Q480 PolarHBondContact O-N 3.29Å; E476-L510 HydrophobicContact CG-CB 4.47Å; E476-C513 HydrophobicContact CG-CB 4.29Å; E476-I514 HydrophobicContact CB-CG1 4.29Å; E476-I514 HydrophobicContact CG-CD1 4.41Å; E476-I514 HydrophobicContact CG-CG1 3.89Å; E476-H575 WeakPolarHBondContact OE2-CB 3.04Å; E476-H575 IonicContact OE2-CE1 3.54Å; E476-H575 IonicContact OE2-CG 2.71Å; E476-H575 IonicContact OE2-ND1 3.71Å; E476-H575 PolarHBondContact OE2-ND1 3.41Å; E476-Y576 PolarHBondContact OE1-N 3.45Å; E476-Y576 VanDerWaalsContact OE1-N 3.1Å |
| 477 | R | 88.5 | Confident | 84.8 | Confident | 42 Ų | 42 | 12.7 Ų | 12.7 | 16% | 0.158 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -59.9 | -39.8 | 176.2 | -81.8 | -66.6 | -140.7 | 168.6 | 9.1 | 113 | Y473 T474 N475 F481 I514 E518 L642 N643 M646 | Y473-R477 HydrophobicContact CD2-CG 4.24Å; Y473-R477 HydrophobicContact CE2-CG 3.56Å; Y473-R477 PolarHBondContact O-N 2.78Å; Y473-R477 PolarHBondContact OH-NE 2.91Å; T474-R477 PolarHBondContact O-N 3.19Å; N475-R477 PolarHBondContact O-N 2.79Å; R477-F481 WeakPolarHBondContact O-CB 3.34Å; R477-F481 PolarHBondContact O-N 2.73Å; R477-I514 HydrophobicContact CG-CG1 4.39Å; R477-E518 IonicContact CZ-OE1 3.54Å; R477-E518 IonicContact CZ-OE2 3.22Å; R477-E518 IonicContact NE-OE1 3.31Å; R477-E518 IonicContact NE-OE2 2.78Å; R477-E518 IonicContact NH1-OE1 3.89Å; R477-E518 IonicContact NH2-OE1 2.76Å; R477-E518 PolarHBondContact NH2-OE1 3.44Å; R477-E518 IonicContact NH2-OE2 2.88Å; R477-E518 PolarHBondContact NH2-OE2 2.62Å; R477-L642 HydrophobicContact CB-CD2 4.18Å; R477-L642 HydrophobicContact CG-CD2 3.93Å; R477-N643 PolarHBondContact NH2-OD1 2.65Å; R477-M646 HydrophobicContact CB-SD 4.44Å |
| 478 | L | 87.1 | Confident | 84.7 | Confident | 6 Ų | 6 | 14 Ų | 14 | 3% | 0.031 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -74.5 | -35.1 | 177.9 | -70.4 | 170.4 | 0 | 0 | 0 | 112.5 | L169 L453 I455 T474 N475 E476 F481 F482 M646 L649 | L169-L478 HydrophobicContact CD2-CD2 4.45Å; L453-L478 HydrophobicContact CD2-CD1 4.03Å; L453-L478 HydrophobicContact CD2-CD2 3.75Å; I455-L478 HydrophobicContact CD1-CD1 3.96Å; I455-L478 HydrophobicContact CG2-CD1 3.96Å; T474-L478 HydrophobicContact CG2-CD1 4.41Å; T474-L478 WeakPolarHBondContact O-CG 3.49Å; T474-L478 PolarHBondContact O-N 3.43Å; T474-L478 VanDerWaalsContact O-N 3.07Å; N475-L478 PolarHBondContact O-N 2.79Å; E476-L478 VanDerWaalsContact C-N 3.34Å; E476-L478 PolarHBondContact O-N 3.4Å; L478-F481 PolarHBondContact O-N 3.14Å; L478-F482 PolarHBondContact O-N 3.33Å; L478-M646 HydrophobicContact CD2-CE 4.25Å; L478-M646 HydrophobicContact CD2-SD 4.04Å; L478-L649 HydrophobicContact CD2-CD1 3.83Å |
| 479 | Q | 85.8 | Confident | 84.5 | Confident | 3 Ų | 3 | 16.4 Ų | 16.4 | 1% | 0.014 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.6 | -43.1 | 172.2 | -173.7 | 63.2 | 35.5 | 0 | 0 | 110.8 | N475 E476 F481 F482 N483 L510 Y576 N683 | N475-Q479 WeakPolarHBondContact O-CB 3.01Å; N475-Q479 PolarHBondContact O-N 2.8Å; E476-Q479 PolarHBondContact O-N 3.19Å; Q479-F481 VanDerWaalsContact C-N 3.32Å; Q479-F481 PolarHBondContact O-N 3.09Å; Q479-F482 WeakPolarHBondContact O-CB 3.47Å; Q479-F482 PolarHBondContact O-N 3.28Å; Q479-F482 VanDerWaalsContact O-N 3.15Å; Q479-N483 PolarHBondContact NE2-OD1 2.97Å; Q479-N483 VanDerWaalsContact O-CG 3.25Å; Q479-N483 PolarHBondContact O-N 2.93Å; Q479-N483 PolarHBondContact O-OD1 3.47Å; Q479-L510 HydrophobicContact CB-CD1 3.69Å; Q479-L510 HydrophobicContact CG-CD1 3.44Å; Q479-L510 VanDerWaalsContact CG-CD1 3.44Å; Q479-Y576 HydrophobicContact CB-CD1 4.04Å; Q479-Y576 HydrophobicContact CB-CD2 4.44Å; Q479-Y576 HydrophobicContact CB-CE1 3.99Å; Q479-Y576 HydrophobicContact CB-CE2 4.4Å; Q479-Y576 HydrophobicContact CB-CG 4.26Å; Q479-Y576 HydrophobicContact CG-CD1 4.26Å; Q479-Y576 HydrophobicContact CG-CD2 3.92Å; Q479-Y576 HydrophobicContact CG-CE1 4.49Å; Q479-Y576 HydrophobicContact CG-CE2 4.17Å; Q479-Y576 HydrophobicContact CG-CG 3.97Å; Q479-N683 PolarHBondContact NE2-O 2.83Å |
| 480 | Q | 87.9 | Confident | 84 | Confident | 24 Ų | 24 | 17 Ų | 17 | 11% | 0.112 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.2 | -37.1 | 174.2 | -177.2 | 65.5 | -4.9 | 0 | 0 | 112.1 | E476 F482 N483 H484 D509 L510 I514 | E476-Q480 WeakPolarHBondContact O-CB 3.3Å; E476-Q480 PolarHBondContact O-N 3.29Å; Q480-F482 VanDerWaalsContact C-N 3.34Å; Q480-F482 PolarHBondContact O-N 2.93Å; Q480-N483 PolarHBondContact O-N 2.79Å; Q480-H484 WeakPolarHBondContact O-CB 3.37Å; Q480-H484 PolarHBondContact O-N 3.05Å; Q480-D509 PolarHBondContact NE2-OD1 3.26Å; Q480-L510 HydrophobicContact CB-CB 4.27Å; Q480-I514 HydrophobicContact CB-CD1 3.36Å; Q480-I514 HydrophobicContact CG-CD1 3.61Å |
| 481 | F | 87.7 | Confident | 83.8 | Confident | 9 Ų | 9 | 17.1 Ų | 17.1 | 4% | 0.039 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.9 | -40.6 | 172.7 | 174.9 | -85.5 | 0 | 0 | 0 | 112.1 | L169 R477 L478 Q479 H485 M646 L649 Q650 P654 F656 | L169-F481 HydrophobicContact CD2-CD1 3.95Å; L169-F481 HydrophobicContact CD2-CE1 3.72Å; R477-F481 WeakPolarHBondContact O-CB 3.34Å; R477-F481 PolarHBondContact O-N 2.73Å; L478-F481 PolarHBondContact O-N 3.14Å; Q479-F481 VanDerWaalsContact C-N 3.32Å; Q479-F481 PolarHBondContact O-N 3.09Å; F481-H485 AromaticContact CD1-ND1 3.9Å; F481-H485 AromaticContact CD2-CE1 3.54Å; F481-H485 AromaticContact CD2-ND1 3.75Å; F481-H485 AromaticContact CE1-CE1 3.97Å; F481-H485 AromaticContact CE1-ND1 3.8Å; F481-H485 AromaticContact CE2-CE1 3.12Å; F481-H485 WeakPolarHBondContact CE2-CE1 3.13Å; F481-H485 AromaticContact CE2-ND1 3.67Å; F481-H485 AromaticContact CE2-NE2 3.89Å; F481-H485 AromaticContact CG-ND1 3.86Å; F481-H485 AromaticContact CZ-CE1 3.35Å; F481-H485 WeakPolarHBondContact CZ-CE1 3.5Å; F481-H485 AromaticContact CZ-ND1 3.68Å; F481-H485 AromaticContact CZ-NE2 3.8Å; F481-H485 WeakPolarHBondContact O-CB 3.32Å; F481-H485 PolarHBondContact O-N 2.91Å; F481-H485 PolarHBondContact O-ND1 2.85Å; F481-M646 HydrophobicContact CB-CE 3.48Å; F481-M646 VanDerWaalsContact CB-CE 3.48Å; F481-M646 HydrophobicContact CD2-CE 3.55Å; F481-M646 HydrophobicContact CE2-CE 4.5Å; F481-M646 HydrophobicContact CG-CE 3.72Å; F481-L649 HydrophobicContact CE1-CB 4.47Å; F481-L649 HydrophobicContact CE2-CB 3.72Å; F481-L649 HydrophobicContact CZ-CB 3.7Å; F481-Q650 HydrophobicContact CD2-CG 4.34Å; F481-Q650 HydrophobicContact CE2-CG 3.9Å; F481-P654 HydrophobicContact CE1-CB 3.95Å; F481-P654 HydrophobicContact CE1-CG 4.17Å; F481-P654 HydrophobicContact CZ-CB 4.22Å; F481-P654 HydrophobicContact CZ-CG 4.27Å; F481-F656 HydrophobicContact CD1-CE1 4.05Å; F481-F656 AromaticContact CD1-CZ 3.93Å; F481-F656 HydrophobicContact CD1-CZ 3.93Å; F481-F656 HydrophobicContact CE1-CE1 4.11Å; F481-F656 AromaticContact CE1-CZ 3.78Å; F481-F656 HydrophobicContact CE1-CZ 3.78Å |
| 482 | F | 84.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.7 | -50 | 172.1 | 170.1 | -93 | 0 | 0 | 0 | 111.9 | F115 L478 Q479 Q480 H484 H485 M486 F487 F656 N683 | F115-F482 HydrophobicContact CD1-CE2 4.17Å; F115-F482 HydrophobicContact CD1-CZ 4.29Å; F115-F482 HydrophobicContact CE1-CZ 4.15Å; F115-F482 HydrophobicContact CG-CE2 4.36Å; F115-F482 HydrophobicContact CZ-CZ 4.42Å; L478-F482 PolarHBondContact O-N 3.33Å; Q479-F482 WeakPolarHBondContact O-CB 3.47Å; Q479-F482 PolarHBondContact O-N 3.28Å; Q479-F482 VanDerWaalsContact O-N 3.15Å; Q480-F482 VanDerWaalsContact C-N 3.34Å; Q480-F482 PolarHBondContact O-N 2.93Å; F482-H484 VanDerWaalsContact C-N 3.27Å; F482-H484 PolarHBondContact O-N 2.92Å; F482-H485 PolarHBondContact O-N 3.49Å; F482-M486 HydrophobicContact CD1-CG 4.35Å; F482-M486 HydrophobicContact CD2-CG 3.67Å; F482-M486 HydrophobicContact CE1-CG 4.25Å; F482-M486 HydrophobicContact CE2-CG 3.55Å; F482-M486 HydrophobicContact CE2-SD 4.24Å; F482-M486 HydrophobicContact CG-CG 4.1Å; F482-M486 HydrophobicContact CZ-CG 3.87Å; F482-M486 VanDerWaalsContact O-CB 3.26Å; F482-M486 WeakPolarHBondContact O-CB 3.46Å; F482-M486 WeakPolarHBondContact O-CG 3.1Å; F482-M486 PolarHBondContact O-N 3.33Å; F482-F487 HydrophobicContact CE1-CZ 4.23Å; F482-F656 HydrophobicContact CB-CD1 4.37Å; F482-F656 HydrophobicContact CB-CE1 3.8Å; F482-F656 HydrophobicContact CB-CZ 4.12Å; F482-F656 HydrophobicContact CD2-CB 4.28Å; F482-F656 AromaticContact CD2-CD1 3.64Å; F482-F656 HydrophobicContact CD2-CD1 3.64Å; F482-F656 AromaticContact CD2-CD2 3.92Å; F482-F656 HydrophobicContact CD2-CD2 3.92Å; F482-F656 AromaticContact CD2-CE1 3.79Å; F482-F656 HydrophobicContact CD2-CE1 3.79Å; F482-F656 HydrophobicContact CD2-CE2 4.07Å; F482-F656 AromaticContact CD2-CG 3.69Å; F482-F656 HydrophobicContact CD2-CG 3.69Å; F482-F656 HydrophobicContact CD2-CZ 4.01Å; F482-F656 HydrophobicContact CE2-CB 4.32Å; F482-F656 HydrophobicContact CE2-CD1 4.48Å; F482-F656 HydrophobicContact CE2-CD2 4.36Å; F482-F656 HydrophobicContact CE2-CG 4.16Å; F482-F656 HydrophobicContact CG-CD1 4.48Å; F482-F656 HydrophobicContact CG-CE1 4.3Å; F482-N683 WeakPolarHBondContact CE1-O 3.29Å |
| 483 | N | 82.9 | Confident | 83.6 | Confident | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58 | -42.6 | 178.6 | -63.6 | -1 | 0 | 0 | 0 | 110.4 | Q479 Q480 F487 V488 M508 | Q479-N483 PolarHBondContact NE2-OD1 2.97Å; Q479-N483 VanDerWaalsContact O-CG 3.25Å; Q479-N483 PolarHBondContact O-N 2.93Å; Q479-N483 PolarHBondContact O-OD1 3.47Å; Q480-N483 PolarHBondContact O-N 2.79Å; N483-F487 HydrophobicContact CB-CD2 3.92Å; N483-F487 HydrophobicContact CB-CE2 3.96Å; N483-F487 WeakPolarHBondContact O-CA 3.36Å; N483-F487 WeakPolarHBondContact O-CB 3.39Å; N483-F487 VanDerWaalsContact O-CG 3.31Å; N483-F487 WeakPolarHBondContact O-CG 3.13Å; N483-F487 PolarHBondContact O-N 2.83Å; N483-V488 PolarHBondContact O-N 2.79Å; N483-M508 PolarHBondContact ND2-O 3.21Å |
| 484 | H | 82.9 | Confident | 83.5 | Confident | 65 Ų | 65 | 21.4 Ų | 21.4 | 30% | 0.301 | 10% | 0.103 | S | C | . | . | I | π-helix | trans | -65.1 | -45.8 | 176.3 | -174.1 | 74.6 | 0 | 0 | 0 | 112.8 | Q480 F482 V488 L489 | Q480-H484 WeakPolarHBondContact O-CB 3.37Å; Q480-H484 PolarHBondContact O-N 3.05Å; F482-H484 VanDerWaalsContact C-N 3.27Å; F482-H484 PolarHBondContact O-N 2.92Å; H484-V488 CarbonylContact O-C 3.46Å; H484-V488 WeakPolarHBondContact O-CA 3.37Å; H484-V488 WeakPolarHBondContact O-CB 3.07Å; H484-V488 PolarHBondContact O-N 3.25Å; H484-L489 PolarHBondContact O-N 3.33Å |
| 485 | H | 79.9 | Confident | 83.4 | Confident | 38 Ų | 38 | 29.1 Ų | 29.1 | 18% | 0.176 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -70.6 | -44.5 | 179.2 | -78.2 | 74.2 | 0 | 0 | 0 | 113.1 | F481 F482 P654 F656 | F481-H485 AromaticContact CD1-ND1 3.9Å; F481-H485 AromaticContact CD2-CE1 3.54Å; F481-H485 AromaticContact CD2-ND1 3.75Å; F481-H485 AromaticContact CE1-CE1 3.97Å; F481-H485 AromaticContact CE1-ND1 3.8Å; F481-H485 AromaticContact CE2-CE1 3.12Å; F481-H485 WeakPolarHBondContact CE2-CE1 3.13Å; F481-H485 AromaticContact CE2-ND1 3.67Å; F481-H485 AromaticContact CE2-NE2 3.89Å; F481-H485 AromaticContact CG-ND1 3.86Å; F481-H485 AromaticContact CZ-CE1 3.35Å; F481-H485 WeakPolarHBondContact CZ-CE1 3.5Å; F481-H485 AromaticContact CZ-ND1 3.68Å; F481-H485 AromaticContact CZ-NE2 3.8Å; F481-H485 WeakPolarHBondContact O-CB 3.32Å; F481-H485 PolarHBondContact O-N 2.91Å; F481-H485 PolarHBondContact O-ND1 2.85Å; F482-H485 PolarHBondContact O-N 3.49Å; H485-P654 HydrophobicContact CB-CG 4.48Å; H485-F656 HydrophobicContact CB-CE2 4.42Å; H485-F656 HydrophobicContact CB-CZ 4.38Å |
| 486 | M | 75 | Confident | 83.5 | Confident | 8 Ų | 8 | 35.8 Ų | 35.8 | 4% | 0.039 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -74.8 | -35 | -177.3 | -70.8 | -66.9 | -53.7 | 0 | 0 | 113 | L114 F115 F482 | L114-M486 HydrophobicContact CB-CE 4.15Å; L114-M486 HydrophobicContact CB-SD 4.21Å; L114-M486 HydrophobicContact CD1-CE 4.22Å; L114-M486 HydrophobicContact CD1-SD 4.27Å; F115-M486 HydrophobicContact CD1-CE 3.85Å; F115-M486 HydrophobicContact CD1-SD 4.34Å; F115-M486 HydrophobicContact CE1-CE 4.03Å; F482-M486 HydrophobicContact CD1-CG 4.35Å; F482-M486 HydrophobicContact CD2-CG 3.67Å; F482-M486 HydrophobicContact CE1-CG 4.25Å; F482-M486 HydrophobicContact CE2-CG 3.55Å; F482-M486 HydrophobicContact CE2-SD 4.24Å; F482-M486 HydrophobicContact CG-CG 4.1Å; F482-M486 HydrophobicContact CZ-CG 3.87Å; F482-M486 VanDerWaalsContact O-CB 3.26Å; F482-M486 WeakPolarHBondContact O-CB 3.46Å; F482-M486 WeakPolarHBondContact O-CG 3.1Å; F482-M486 PolarHBondContact O-N 3.33Å |
| 487 | F | 77.8 | Confident | 83.5 | Confident | 12 Ų | 12 | 36.2 Ų | 36.2 | 5% | 0.053 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -114.5 | -38.5 | -168.8 | -41.8 | -27.4 | 0 | 0 | 0 | 114 | F482 N483 Q491 M508 E687 I691 | F482-F487 HydrophobicContact CE1-CZ 4.23Å; N483-F487 HydrophobicContact CB-CD2 3.92Å; N483-F487 HydrophobicContact CB-CE2 3.96Å; N483-F487 WeakPolarHBondContact O-CA 3.36Å; N483-F487 WeakPolarHBondContact O-CB 3.39Å; N483-F487 VanDerWaalsContact O-CG 3.31Å; N483-F487 WeakPolarHBondContact O-CG 3.13Å; N483-F487 PolarHBondContact O-N 2.83Å; F487-Q491 VanDerWaalsContact O-CG 3.25Å; F487-Q491 WeakPolarHBondContact O-CG 3.3Å; F487-Q491 PolarHBondContact O-NE2 3.42Å; F487-M508 HydrophobicContact CE2-CB 4.21Å; F487-M508 HydrophobicContact CE2-CG 4.41Å; F487-M508 HydrophobicContact CE2-SD 3.88Å; F487-M508 HydrophobicContact CZ-SD 4.23Å; F487-E687 HydrophobicContact CE1-CB 4.27Å; F487-E687 HydrophobicContact CE2-CB 4.4Å; F487-E687 HydrophobicContact CZ-CB 3.79Å; F487-I691 HydrophobicContact CB-CD1 3.71Å; F487-I691 HydrophobicContact CD1-CD1 3.52Å; F487-I691 HydrophobicContact CD1-CG1 4.33Å; F487-I691 HydrophobicContact CE1-CD1 4.48Å; F487-I691 HydrophobicContact CG-CD1 3.91Å |
| 488 | V | 79.5 | Confident | 83.3 | Confident | 52 Ų | 52 | 41.9 Ų | 41.9 | 32% | 0.315 | 19% | 0.189 | S | C | . | . | I | π-helix | trans | -88.8 | -60.4 | -175.5 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | N483 H484 E490 Q491 E492 | N483-V488 PolarHBondContact O-N 2.79Å; H484-V488 CarbonylContact O-C 3.46Å; H484-V488 WeakPolarHBondContact O-CA 3.37Å; H484-V488 WeakPolarHBondContact O-CB 3.07Å; H484-V488 PolarHBondContact O-N 3.25Å; V488-E490 VanDerWaalsContact C-N 3.28Å; V488-E490 PolarHBondContact O-N 2.81Å; V488-Q491 PolarHBondContact O-N 2.71Å; V488-Q491 VanDerWaalsContact O-N 3.11Å; V488-E492 HydrophobicContact CG1-CG 4.26Å; V488-E492 WeakPolarHBondContact O-CG 3.27Å; V488-E492 PolarHBondContact O-N 3.32Å |
| 489 | L | 79.5 | Confident | 83.4 | Confident | 56 Ų | 56 | 42.2 Ų | 42.2 | 29% | 0.293 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -61.1 | -35.2 | -176.5 | -68.8 | 179.1 | 0 | 0 | 0 | 112.9 | H484 E492 E493 | H484-L489 PolarHBondContact O-N 3.33Å; L489-E492 PolarHBondContact O-N 2.86Å; L489-E493 WeakPolarHBondContact O-CB 3.39Å; L489-E493 PolarHBondContact O-N 3.28Å |
| 490 | E | 77.7 | Confident | 83.2 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.1 | -41.8 | 176.2 | -170.5 | 63 | -168.3 | 0 | 0 | 111.8 | V488 E493 Y494 R699 | V488-E490 VanDerWaalsContact C-N 3.28Å; V488-E490 PolarHBondContact O-N 2.81Å; E490-E493 PolarHBondContact O-N 3.13Å; E490-Y494 HydrophobicContact CG-CE1 4.04Å; E490-Y494 HydrophobicContact CG-CE2 4.22Å; E490-Y494 VanDerWaalsContact CG-OH 3.32Å; E490-Y494 WeakPolarHBondContact CG-OH 3.27Å; E490-Y494 VanDerWaalsContact O-CD1 3.23Å; E490-Y494 WeakPolarHBondContact O-CD1 3.4Å; E490-Y494 VanDerWaalsContact O-CG 3.25Å; E490-Y494 PolarHBondContact O-N 3.39Å; E490-Y494 VanDerWaalsContact O-N 3.11Å; E490-Y494 WeakPolarHBondContact OE1-CE1 3.22Å; E490-Y494 VanDerWaalsContact OE1-CZ 3.22Å; E490-Y494 PolarHBondContact OE1-OH 2.6Å; E490-R699 IonicContact OE1-NH1 2.68Å; E490-R699 PolarHBondContact OE1-NH1 2.78Å; E490-R699 IonicContact OE2-CZ 2.84Å; E490-R699 IonicContact OE2-NH1 2.66Å; E490-R699 PolarHBondContact OE2-NH1 3.32Å; E490-R699 IonicContact OE2-NH2 2.69Å |
| 491 | Q | 82.8 | Confident | 83 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 2% | 0.023 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -76.1 | -30.7 | 175.9 | -66.4 | -169.5 | 88.2 | 0 | 0 | 113 | F487 V488 Y494 K495 W501 F503 I504 | F487-Q491 VanDerWaalsContact O-CG 3.25Å; F487-Q491 WeakPolarHBondContact O-CG 3.3Å; F487-Q491 PolarHBondContact O-NE2 3.42Å; V488-Q491 PolarHBondContact O-N 2.71Å; V488-Q491 VanDerWaalsContact O-N 3.11Å; Q491-Y494 PolarHBondContact O-N 2.95Å; Q491-K495 WeakPolarHBondContact O-CB 3.31Å; Q491-K495 PolarHBondContact O-N 2.95Å; Q491-W501 HydrophobicContact CG-CZ2 4.22Å; Q491-F503 HydrophobicContact CB-CD2 3.97Å; Q491-F503 HydrophobicContact CB-CE2 3.92Å; Q491-I504 PolarHBondContact NE2-O 2.98Å; Q491-I504 PolarHBondContact OE1-O 3.02Å |
| 492 | E | 82.7 | Confident | 82.6 | Confident | 84 Ų | 84 | 53.1 Ų | 53.1 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 169.9 | -75.7 | -164.2 | 163.1 | 0 | 0 | 111.9 | V488 L489 K495 R496 | V488-E492 HydrophobicContact CG1-CG 4.26Å; V488-E492 WeakPolarHBondContact O-CG 3.27Å; V488-E492 PolarHBondContact O-N 3.32Å; L489-E492 PolarHBondContact O-N 2.86Å; E492-K495 WeakPolarHBondContact O-CB 3.18Å; E492-K495 PolarHBondContact O-N 3.36Å; E492-R496 WeakPolarHBondContact O-CB 3.35Å; E492-R496 PolarHBondContact O-N 2.91Å |
| 493 | E | 82.5 | Confident | 82.2 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 173.5 | -176.5 | 73.3 | 163.3 | 0 | 0 | 110.7 | L489 E490 K495 R496 E497 K748 F750 | L489-E493 WeakPolarHBondContact O-CB 3.39Å; L489-E493 PolarHBondContact O-N 3.28Å; E490-E493 PolarHBondContact O-N 3.13Å; E493-K495 VanDerWaalsContact C-N 3.29Å; E493-K495 PolarHBondContact O-N 2.83Å; E493-R496 PolarHBondContact O-N 3.32Å; E493-R496 WeakPolarHBondContact OE2-CD 3.4Å; E493-R496 IonicContact OE2-CZ 2.97Å; E493-R496 IonicContact OE2-NE 2.63Å; E493-R496 IonicContact OE2-NH1 2.65Å; E493-R496 PolarHBondContact OE2-NH1 3.46Å; E493-E497 WeakPolarHBondContact O-CB 3.46Å; E493-E497 PolarHBondContact O-N 3.21Å; E493-K748 IonicContact OE1-NZ 3.18Å; E493-K748 PolarHBondContact OE1-NZ 2.88Å; E493-F750 HydrophobicContact CG-CE1 4.18Å; E493-F750 HydrophobicContact CG-CZ 3.99Å |
| 494 | Y | 88.1 | Confident | 81.8 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 173.8 | -62.1 | -10.2 | 0 | 0 | 0 | 112.2 | E490 Q491 K498 I499 W501 F696 F750 | E490-Y494 HydrophobicContact CG-CE1 4.04Å; E490-Y494 HydrophobicContact CG-CE2 4.22Å; E490-Y494 VanDerWaalsContact CG-OH 3.32Å; E490-Y494 WeakPolarHBondContact CG-OH 3.27Å; E490-Y494 VanDerWaalsContact O-CD1 3.23Å; E490-Y494 WeakPolarHBondContact O-CD1 3.4Å; E490-Y494 VanDerWaalsContact O-CG 3.25Å; E490-Y494 PolarHBondContact O-N 3.39Å; E490-Y494 VanDerWaalsContact O-N 3.11Å; E490-Y494 WeakPolarHBondContact OE1-CE1 3.22Å; E490-Y494 VanDerWaalsContact OE1-CZ 3.22Å; E490-Y494 PolarHBondContact OE1-OH 2.6Å; Q491-Y494 PolarHBondContact O-N 2.95Å; Y494-K498 PolarHBondContact O-N 2.69Å; Y494-I499 HydrophobicContact CD1-CD1 3.59Å; Y494-I499 HydrophobicContact CD1-CG1 4.37Å; Y494-I499 HydrophobicContact CD2-CD1 4.18Å; Y494-I499 HydrophobicContact CE1-CD1 4.25Å; Y494-I499 HydrophobicContact CG-CD1 3.59Å; Y494-I499 HydrophobicContact CG-CG1 4.07Å; Y494-I499 PolarHBondContact O-N 2.64Å; Y494-I499 VanDerWaalsContact O-N 3.12Å; Y494-W501 HydrophobicContact CD2-CB 4.28Å; Y494-W501 AromaticContact CD2-CD1 3.88Å; Y494-W501 AromaticContact CD2-CD2 3.64Å; Y494-W501 HydrophobicContact CD2-CD2 3.64Å; Y494-W501 AromaticContact CD2-CE2 3.85Å; Y494-W501 HydrophobicContact CD2-CE3 4.16Å; Y494-W501 AromaticContact CD2-CG 3.68Å; Y494-W501 HydrophobicContact CD2-CG 3.68Å; Y494-W501 AromaticContact CD2-NE1 3.97Å; Y494-W501 HydrophobicContact CE2-CD2 4.12Å; Y494-W501 HydrophobicContact CE2-CE3 4.27Å; Y494-W501 HydrophobicContact CE2-CZ2 4.43Å; Y494-W501 HydrophobicContact CE2-CZ3 4.49Å; Y494-W501 HydrophobicContact CG-CG 4.39Å; Y494-F696 PolarHBondContact OH-N 3.4Å; Y494-F696 PolarHBondContact OH-O 2.93Å; Y494-F750 AromaticContact CD1-CD1 3.95Å; Y494-F750 HydrophobicContact CD1-CD1 3.95Å; Y494-F750 AromaticContact CD1-CE1 3.62Å; Y494-F750 HydrophobicContact CD1-CE1 3.62Å; Y494-F750 HydrophobicContact CD1-CZ 4.35Å; Y494-F750 AromaticContact CE1-CD1 3.74Å; Y494-F750 HydrophobicContact CE1-CD1 3.74Å; Y494-F750 AromaticContact CE1-CE1 3.69Å; Y494-F750 HydrophobicContact CE1-CE1 3.69Å |
| 495 | K | 85.3 | Confident | 81.2 | Confident | 169 Ų | 169 | 64 Ų | 64 | 74% | 0.735 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68.7 | -39.9 | 175.5 | -176.6 | -178.8 | 178.5 | -177.1 | 0 | 112.5 | Q491 E492 E493 K498 | Q491-K495 WeakPolarHBondContact O-CB 3.31Å; Q491-K495 PolarHBondContact O-N 2.95Å; E492-K495 WeakPolarHBondContact O-CB 3.18Å; E492-K495 PolarHBondContact O-N 3.36Å; E493-K495 VanDerWaalsContact C-N 3.29Å; E493-K495 PolarHBondContact O-N 2.83Å; K495-K498 PolarHBondContact O-N 2.75Å |
| 496 | R | 86.4 | Confident | 80.6 | Confident | 146 Ų | 146 | 63.7 Ų | 63.7 | 55% | 0.551 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.4 | -43.3 | 177.7 | -176.1 | -176.3 | -63.2 | 140.9 | -0.4 | 111.6 | E492 E493 K498 N746 | E492-R496 WeakPolarHBondContact O-CB 3.35Å; E492-R496 PolarHBondContact O-N 2.91Å; E493-R496 PolarHBondContact O-N 3.32Å; E493-R496 WeakPolarHBondContact OE2-CD 3.4Å; E493-R496 IonicContact OE2-CZ 2.97Å; E493-R496 IonicContact OE2-NE 2.63Å; E493-R496 IonicContact OE2-NH1 2.65Å; E493-R496 PolarHBondContact OE2-NH1 3.46Å; R496-K498 VanDerWaalsContact C-N 3.28Å; R496-K498 PolarHBondContact O-N 2.73Å; R496-N746 PolarHBondContact O-ND2 3.49Å |
| 497 | E | 89.3 | Confident | 80 | Confident | 10 Ų | 10 | 66.5 Ų | 66.5 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -3.9 | 175.8 | -76.1 | -70 | 134.2 | 0 | 0 | 113.6 | E493 I499 G745 N746 T747 K748 F750 | E493-E497 WeakPolarHBondContact O-CB 3.46Å; E493-E497 PolarHBondContact O-N 3.21Å; E497-I499 VanDerWaalsContact C-N 3.27Å; E497-I499 HydrophobicContact CB-CG2 4.35Å; E497-I499 PolarHBondContact O-N 2.79Å; E497-G745 CarbonylContact O-C 3.54Å; E497-G745 WeakPolarHBondContact O-CA 3.11Å; E497-N746 VanDerWaalsContact C-ND2 3.29Å; E497-N746 PolarHBondContact O-N 2.64Å; E497-N746 VanDerWaalsContact O-N 3.16Å; E497-N746 PolarHBondContact O-ND2 2.65Å; E497-N746 PolarHBondContact OE2-N 2.62Å; E497-T747 PolarHBondContact OE1-N 3Å; E497-T747 PolarHBondContact OE1-OG1 3.49Å; E497-T747 PolarHBondContact OE2-N 3.1Å; E497-K748 HydrophobicContact CG-CB 4.48Å; E497-K748 HydrophobicContact CG-CD 4.42Å; E497-K748 PolarHBondContact OE2-N 2.7Å; E497-F750 HydrophobicContact CB-CE2 3.6Å; E497-F750 HydrophobicContact CB-CZ 3.85Å; E497-F750 HydrophobicContact CG-CE2 3.72Å; E497-F750 HydrophobicContact CG-CZ 3.77Å |
| 498 | K | 84.7 | Confident | 79.5 | Confident | 161 Ų | 161 | 68.1 Ų | 68.1 | 70% | 0.7 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 33.5 | 177.3 | -57.8 | 176.7 | -173.8 | 171.8 | 0 | 114.3 | Y494 K495 R496 N746 | Y494-K498 PolarHBondContact O-N 2.69Å; K495-K498 PolarHBondContact O-N 2.75Å; R496-K498 VanDerWaalsContact C-N 3.28Å; R496-K498 PolarHBondContact O-N 2.73Å; K498-N746 WeakPolarHBondContact CG-ND2 3.12Å |
| 499 | I | 88 | Confident | 79.3 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 7% | 0.067 | 35% | 0.352 | C | S | . | . | trans | -70.7 | 162.4 | 174.6 | 70.3 | 168.6 | 0 | 0 | 0 | 111 | Y494 E497 W501 F696 Q743 F750 | Y494-I499 HydrophobicContact CD1-CD1 3.59Å; Y494-I499 HydrophobicContact CD1-CG1 4.37Å; Y494-I499 HydrophobicContact CD2-CD1 4.18Å; Y494-I499 HydrophobicContact CE1-CD1 4.25Å; Y494-I499 HydrophobicContact CG-CD1 3.59Å; Y494-I499 HydrophobicContact CG-CG1 4.07Å; Y494-I499 PolarHBondContact O-N 2.64Å; Y494-I499 VanDerWaalsContact O-N 3.12Å; E497-I499 VanDerWaalsContact C-N 3.27Å; E497-I499 HydrophobicContact CB-CG2 4.35Å; E497-I499 PolarHBondContact O-N 2.79Å; I499-W501 VanDerWaalsContact C-N 3.3Å; I499-W501 HydrophobicContact CG1-CB 4.19Å; I499-W501 PolarHBondContact O-N 2.69Å; I499-F696 HydrophobicContact CD1-CD2 4Å; I499-F696 HydrophobicContact CD1-CE2 4.47Å; I499-Q743 HydrophobicContact CB-CB 4.15Å; I499-Q743 HydrophobicContact CD1-CB 4.4Å; I499-Q743 HydrophobicContact CG2-CB 4.22Å; I499-F750 HydrophobicContact CD1-CD1 4.41Å; I499-F750 HydrophobicContact CD1-CG 4.26Å; I499-F750 HydrophobicContact CG2-CD2 3.69Å; I499-F750 HydrophobicContact CG2-CE2 3.9Å; I499-F750 HydrophobicContact CG2-CG 4.39Å | ||
| 500 | Q | 82.1 | Confident | 79.6 | Confident | 112 Ų | 112 | 69.3 Ų | 69.3 | 52% | 0.523 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -72.1 | 81.4 | 178.1 | -168.8 | 177.1 | 8.9 | 0 | 0 | 111.3 | ||
| 501 | W | 82.4 | Confident | 80 | Confident | 52 Ų | 52 | 71.4 Ų | 71.4 | 20% | 0.197 | 35% | 0.353 | C | S | . | . | trans | -129.1 | 134.5 | -179.2 | -179.5 | -106.7 | 0 | 0 | 0 | 111.7 | Q491 Y494 I499 I504 K694 | Q491-W501 HydrophobicContact CG-CZ2 4.22Å; Y494-W501 HydrophobicContact CD2-CB 4.28Å; Y494-W501 AromaticContact CD2-CD1 3.88Å; Y494-W501 AromaticContact CD2-CD2 3.64Å; Y494-W501 HydrophobicContact CD2-CD2 3.64Å; Y494-W501 AromaticContact CD2-CE2 3.85Å; Y494-W501 HydrophobicContact CD2-CE3 4.16Å; Y494-W501 AromaticContact CD2-CG 3.68Å; Y494-W501 HydrophobicContact CD2-CG 3.68Å; Y494-W501 AromaticContact CD2-NE1 3.97Å; Y494-W501 HydrophobicContact CE2-CD2 4.12Å; Y494-W501 HydrophobicContact CE2-CE3 4.27Å; Y494-W501 HydrophobicContact CE2-CZ2 4.43Å; Y494-W501 HydrophobicContact CE2-CZ3 4.49Å; Y494-W501 HydrophobicContact CG-CG 4.39Å; I499-W501 VanDerWaalsContact C-N 3.3Å; I499-W501 HydrophobicContact CG1-CB 4.19Å; I499-W501 PolarHBondContact O-N 2.69Å; W501-I504 HydrophobicContact CH2-CD1 4.09Å; W501-I504 HydrophobicContact CZ2-CD1 4.09Å; W501-I504 HydrophobicContact CZ2-CG1 4.29Å; W501-K694 HydrophobicContact CH2-CB 3.92Å; W501-K694 HydrophobicContact CZ3-CB 4.22Å | ||
| 502 | T | 79.4 | Confident | 80.2 | Confident | 100 Ų | 100 | 73.8 Ų | 73.8 | 61% | 0.613 | 37% | 0.374 | S | S | * | . | trans | -92.5 | 125.7 | 165.1 | 39 | 0 | 0 | 0 | 0 | 109 | I504 | T502-I504 PolarHBondContact O-N 2.85Š| ||
| 503 | F | 77.9 | Confident | 80.5 | Confident | 133 Ų | 133 | 69.9 Ų | 69.9 | 58% | 0.583 | 36% | 0.356 | S | S | * | . | trans | -61.6 | 128.5 | 176.6 | -171.2 | -89.9 | 0 | 0 | 0 | 110.1 | Q491 D505 | Q491-F503 HydrophobicContact CB-CD2 3.97Å; Q491-F503 HydrophobicContact CB-CE2 3.92Å; F503-D505 HydrophobicContact CE1-CB 4.43Å | ||
| 504 | I | 73.2 | Confident | 80.9 | Confident | 35 Ų | 35 | 69.3 Ų | 69.3 | 18% | 0.179 | 35% | 0.353 | C | S | . | . | trans | -112.7 | 119.1 | 176.3 | -56.6 | 175.7 | 0 | 0 | 0 | 106.7 | Q491 W501 T502 F506 K694 | Q491-I504 PolarHBondContact NE2-O 2.98Å; Q491-I504 PolarHBondContact OE1-O 3.02Å; W501-I504 HydrophobicContact CH2-CD1 4.09Å; W501-I504 HydrophobicContact CZ2-CD1 4.09Å; W501-I504 HydrophobicContact CZ2-CG1 4.29Å; T502-I504 PolarHBondContact O-N 2.85Å; I504-F506 HydrophobicContact CB-CD2 4.43Å; I504-F506 HydrophobicContact CB-CE2 3.59Å; I504-F506 HydrophobicContact CB-CZ 3.87Å; I504-F506 HydrophobicContact CG2-CD2 4.07Å; I504-F506 HydrophobicContact CG2-CE1 4.11Å; I504-F506 HydrophobicContact CG2-CE2 3.46Å; I504-F506 VanDerWaalsContact CG2-CE2 3.46Å; I504-F506 HydrophobicContact CG2-CZ 3.46Å; I504-F506 VanDerWaalsContact CG2-CZ 3.46Å; I504-F506 VanDerWaalsContact O-CD2 3.22Å; I504-F506 WeakPolarHBondContact O-CD2 3.16Å; I504-F506 WeakPolarHBondContact O-CE2 3.25Å; I504-K694 HydrophobicContact CD1-CD 3.52Å | ||
| 505 | D | 70.2 | Confident | 80.9 | Confident | 131 Ų | 131 | 71 Ų | 71 | 70% | 0.701 | 36% | 0.362 | S | S | * | . | trans | -79 | 141.9 | 163.8 | -164.9 | -11.1 | 0 | 0 | 0 | 109.1 | F503 G507 | F503-D505 HydrophobicContact CE1-CB 4.43Å; D505-G507 PolarHBondContact OD1-N 2.64Å | ||
| 506 | F | 67.2 | Low | 81.1 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | trans | -113.2 | -2.7 | 179.6 | -68.2 | -96.2 | 0 | 0 | 0 | 112.2 | I504 M508 E687 R690 I691 | I504-F506 HydrophobicContact CB-CD2 4.43Å; I504-F506 HydrophobicContact CB-CE2 3.59Å; I504-F506 HydrophobicContact CB-CZ 3.87Å; I504-F506 HydrophobicContact CG2-CD2 4.07Å; I504-F506 HydrophobicContact CG2-CE1 4.11Å; I504-F506 HydrophobicContact CG2-CE2 3.46Å; I504-F506 VanDerWaalsContact CG2-CE2 3.46Å; I504-F506 HydrophobicContact CG2-CZ 3.46Å; I504-F506 VanDerWaalsContact CG2-CZ 3.46Å; I504-F506 VanDerWaalsContact O-CD2 3.22Å; I504-F506 WeakPolarHBondContact O-CD2 3.16Å; I504-F506 WeakPolarHBondContact O-CE2 3.25Å; F506-M508 PolarHBondContact O-N 2.59Å; F506-M508 VanDerWaalsContact O-N 3.11Å; F506-E687 HydrophobicContact CD1-CB 4.03Å; F506-E687 HydrophobicContact CD1-CG 4.1Å; F506-R690 HydrophobicContact CE1-CB 4.24Å; F506-R690 HydrophobicContact CE1-CG 4.27Å; F506-I691 HydrophobicContact CD2-CD1 3.92Å; F506-I691 HydrophobicContact CD2-CG1 4.36Å; F506-I691 HydrophobicContact CE1-CD1 4.34Å; F506-I691 HydrophobicContact CE1-CG1 3.75Å; F506-I691 HydrophobicContact CE2-CD1 3.36Å; F506-I691 HydrophobicContact CE2-CG1 3.53Å; F506-I691 HydrophobicContact CZ-CD1 3.64Å; F506-I691 HydrophobicContact CZ-CG1 3.19Å | ||
| 507 | G | 63 | Low | 81.4 | Confident | 68 Ų | 68 | 56.4 Ų | 56.4 | 70% | 0.701 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 70 | 2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | D505 D509 | D505-G507 PolarHBondContact OD1-N 2.64Å; G507-D509 VanDerWaalsContact C-N 3.33Å; G507-D509 PolarHBondContact O-N 2.81Å |
| 508 | M | 66.8 | Low | 81.2 | Confident | 45 Ų | 45 | 57.3 Ų | 57.3 | 22% | 0.222 | 31% | 0.307 | C | S | . | . | trans | -91.2 | 33.1 | -176.4 | -55 | -164.5 | 85 | 0 | 0 | 113.8 | N483 F487 F506 L510 E687 | N483-M508 PolarHBondContact ND2-O 3.21Å; F487-M508 HydrophobicContact CE2-CB 4.21Å; F487-M508 HydrophobicContact CE2-CG 4.41Å; F487-M508 HydrophobicContact CE2-SD 3.88Å; F487-M508 HydrophobicContact CZ-SD 4.23Å; F506-M508 PolarHBondContact O-N 2.59Å; F506-M508 VanDerWaalsContact O-N 3.11Å; M508-L510 PolarHBondContact O-N 2.8Å; M508-E687 HydrophobicContact CG-CG 4.48Å; M508-E687 HydrophobicContact SD-CB 4.01Å; M508-E687 HydrophobicContact SD-CG 3.72Å | ||
| 509 | D | 76.3 | Confident | 81 | Confident | 111 Ų | 111 | 54.4 Ų | 54.4 | 59% | 0.594 | 30% | 0.295 | S | S | * | . | trans | -78.8 | 106.9 | 177.6 | -173 | 11.7 | 0 | 0 | 0 | 111.4 | Q480 G507 Q511 | Q480-D509 PolarHBondContact NE2-OD1 3.26Å; G507-D509 VanDerWaalsContact C-N 3.33Å; G507-D509 PolarHBondContact O-N 2.81Å; D509-Q511 VanDerWaalsContact C-N 3.29Å; D509-Q511 WeakPolarHBondContact OD1-CB 3.33Å; D509-Q511 PolarHBondContact OD1-N 2.6Å | ||
| 510 | L | 85.6 | Confident | 80.2 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 12% | 0.12 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -0.5 | 179.6 | -53.2 | 178.2 | 0 | 0 | 0 | 112.5 | E476 Q479 Q480 M508 A512 C513 I514 Y576 | E476-L510 HydrophobicContact CG-CB 4.47Å; Q479-L510 HydrophobicContact CB-CD1 3.69Å; Q479-L510 HydrophobicContact CG-CD1 3.44Å; Q479-L510 VanDerWaalsContact CG-CD1 3.44Å; Q480-L510 HydrophobicContact CB-CB 4.27Å; M508-L510 PolarHBondContact O-N 2.8Å; L510-A512 PolarHBondContact O-N 2.62Å; L510-A512 VanDerWaalsContact O-N 3.16Å; L510-C513 WeakPolarHBondContact O-CB 3.15Å; L510-C513 PolarHBondContact O-N 3Å; L510-I514 HydrophobicContact CB-CD1 4.42Å; L510-I514 PolarHBondContact O-N 2.73Å; L510-I514 VanDerWaalsContact O-N 3.07Å; L510-Y576 HydrophobicContact CD1-CD1 4.25Å; L510-Y576 HydrophobicContact CD1-CG 4.1Å |
| 511 | Q | 86.8 | Confident | 80.1 | Confident | 56 Ų | 56 | 58 Ų | 58 | 26% | 0.262 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.5 | -33.6 | -177.3 | -168.3 | 58.6 | 47.4 | 0 | 0 | 112.1 | D509 C513 I514 D515 | D509-Q511 VanDerWaalsContact C-N 3.29Å; D509-Q511 WeakPolarHBondContact OD1-CB 3.33Å; D509-Q511 PolarHBondContact OD1-N 2.6Å; Q511-C513 VanDerWaalsContact C-N 3.32Å; Q511-C513 PolarHBondContact O-N 2.7Å; Q511-I514 PolarHBondContact O-N 2.75Å; Q511-D515 PolarHBondContact NE2-OD1 2.7Å; Q511-D515 WeakPolarHBondContact O-CB 3.16Å; Q511-D515 PolarHBondContact O-N 2.67Å |
| 512 | A | 86.1 | Confident | 80.4 | Confident | 56 Ų | 56 | 55.7 Ų | 55.7 | 46% | 0.463 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.1 | -29.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L510 L516 | L510-A512 PolarHBondContact O-N 2.62Å; L510-A512 VanDerWaalsContact O-N 3.16Å; A512-L516 WeakPolarHBondContact O-CB 3.09Å; A512-L516 PolarHBondContact O-N 3.43Å |
| 513 | C | 89.1 | Confident | 81 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -79.4 | -40.2 | 174.4 | -165.9 | 0 | 0 | 0 | 0 | 111.5 | E476 L510 Q511 L516 I517 N555 | E476-C513 HydrophobicContact CG-CB 4.29Å; L510-C513 WeakPolarHBondContact O-CB 3.15Å; L510-C513 PolarHBondContact O-N 3Å; Q511-C513 VanDerWaalsContact C-N 3.32Å; Q511-C513 PolarHBondContact O-N 2.7Å; C513-L516 WeakPolarHBondContact O-CB 3.13Å; C513-L516 PolarHBondContact O-N 2.87Å; C513-I517 WeakPolarHBondContact O-CG1 3.4Å; C513-I517 PolarHBondContact O-N 3.3Å; C513-N555 WeakPolarHBondContact CB-ND2 3.27Å; C513-N555 PolarHBondContact N-ND2 3.29Å |
| 514 | I | 90.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 174.4 | -73.4 | 157.9 | 0 | 0 | 0 | 110.9 | Y473 E476 R477 Q480 L510 Q511 L516 I517 E518 | Y473-I514 HydrophobicContact CE2-CG2 4.32Å; E476-I514 HydrophobicContact CB-CG1 4.29Å; E476-I514 HydrophobicContact CG-CD1 4.41Å; E476-I514 HydrophobicContact CG-CG1 3.89Å; R477-I514 HydrophobicContact CG-CG1 4.39Å; Q480-I514 HydrophobicContact CB-CD1 3.36Å; Q480-I514 HydrophobicContact CG-CD1 3.61Å; L510-I514 HydrophobicContact CB-CD1 4.42Å; L510-I514 PolarHBondContact O-N 2.73Å; L510-I514 VanDerWaalsContact O-N 3.07Å; Q511-I514 PolarHBondContact O-N 2.75Å; I514-L516 VanDerWaalsContact C-N 3.34Å; I514-L516 PolarHBondContact O-N 2.69Å; I514-I517 PolarHBondContact O-N 2.71Å; I514-E518 HydrophobicContact CG2-CG 4.06Å; I514-E518 WeakPolarHBondContact O-CG 3.32Å; I514-E518 PolarHBondContact O-N 2.77Å |
| 515 | D | 88.2 | Confident | 82.2 | Confident | 38 Ų | 38 | 43.6 Ų | 43.6 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54.8 | -48 | 178.2 | -81.7 | -6.5 | 0 | 0 | 0 | 112.1 | Q511 I517 E518 K519 | Q511-D515 PolarHBondContact NE2-OD1 2.7Å; Q511-D515 WeakPolarHBondContact O-CB 3.16Å; Q511-D515 PolarHBondContact O-N 2.67Å; D515-I517 PolarHBondContact O-N 2.76Å; D515-E518 PolarHBondContact O-N 2.72Å; D515-K519 HydrophobicContact CB-CD 3.87Å; D515-K519 HydrophobicContact CB-CG 4.34Å; D515-K519 WeakPolarHBondContact O-CB 3.43Å; D515-K519 PolarHBondContact O-N 3.14Å; D515-K519 VanDerWaalsContact O-N 3.1Å; D515-K519 WeakPolarHBondContact OD1-CE 3.21Å; D515-K519 IonicContact OD1-NZ 2.83Å; D515-K519 PolarHBondContact OD1-NZ 2.63Å; D515-K519 VanDerWaalsContact OD1-NZ 3.13Å; D515-K519 WeakPolarHBondContact OD2-CE 3.1Å; D515-K519 IonicContact OD2-NZ 3.8Å; D515-K519 PolarHBondContact OD2-NZ 2.68Å |
| 516 | L | 90.9 | Very high | 83.2 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54.8 | -32.5 | 175.8 | 170.3 | 63.8 | 0 | 0 | 0 | 112.2 | A512 C513 I514 G522 I523 H549 N555 F556 L573 | A512-L516 WeakPolarHBondContact O-CB 3.09Å; A512-L516 PolarHBondContact O-N 3.43Å; C513-L516 WeakPolarHBondContact O-CB 3.13Å; C513-L516 PolarHBondContact O-N 2.87Å; I514-L516 VanDerWaalsContact C-N 3.34Å; I514-L516 PolarHBondContact O-N 2.69Å; L516-G522 CarbonylContact O-C 3.57Å; L516-G522 VanDerWaalsContact O-CA 3.25Å; L516-G522 WeakPolarHBondContact O-CA 3.39Å; L516-I523 HydrophobicContact CD1-CD1 4.3Å; L516-I523 HydrophobicContact CD1-CG1 4.46Å; L516-I523 HydrophobicContact CG-CD1 4Å; L516-I523 WeakPolarHBondContact O-CG1 3.42Å; L516-I523 PolarHBondContact O-N 2.76Å; L516-H549 HydrophobicContact CD1-CB 3.92Å; L516-H549 VanDerWaalsContact CD1-CG 3.43Å; L516-H549 VanDerWaalsContact CD1-ND1 3.32Å; L516-H549 WeakPolarHBondContact CD1-ND1 3.06Å; L516-N555 HydrophobicContact CD2-CB 4.05Å; L516-F556 HydrophobicContact CD1-CB 4.37Å; L516-F556 HydrophobicContact CD1-CD2 4.29Å; L516-F556 HydrophobicContact CD2-CB 3.98Å; L516-F556 HydrophobicContact CD2-CD2 4.48Å; L516-L573 HydrophobicContact CD2-CD2 3.97Å |
| 517 | I | 90.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -87.3 | -45.5 | -178.7 | -62.6 | 166.6 | 0 | 0 | 0 | 112.1 | Y473 C513 I514 D515 I523 L524 L573 | Y473-I517 HydrophobicContact CD1-CG2 4.27Å; Y473-I517 HydrophobicContact CD2-CB 4.01Å; Y473-I517 HydrophobicContact CD2-CD1 3.95Å; Y473-I517 HydrophobicContact CD2-CG2 3.63Å; Y473-I517 HydrophobicContact CE2-CB 4.4Å; Y473-I517 HydrophobicContact CE2-CG2 4.16Å; Y473-I517 HydrophobicContact CG-CD1 4.46Å; Y473-I517 HydrophobicContact CG-CG2 3.74Å; C513-I517 WeakPolarHBondContact O-CG1 3.4Å; C513-I517 PolarHBondContact O-N 3.3Å; I514-I517 PolarHBondContact O-N 2.71Å; D515-I517 PolarHBondContact O-N 2.76Å; I517-I523 HydrophobicContact CG1-CD1 4.26Å; I517-I523 PolarHBondContact O-N 3.45Å; I517-L524 HydrophobicContact CG2-CD1 3.77Å; I517-L524 HydrophobicContact CG2-CG 3.8Å; I517-L524 WeakPolarHBondContact O-CB 3.23Å; I517-L524 PolarHBondContact O-N 3.13Å; I517-L573 HydrophobicContact CD1-CD1 4.45Å; I517-L573 HydrophobicContact CG1-CD1 4.48Å |
| 518 | E | 86.6 | Confident | 85.3 | Confident | 29 Ų | 29 | 34 Ų | 34 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -109.2 | -18.9 | -165.2 | 73.9 | 154.5 | -176.7 | 0 | 0 | 118.1 | Y473 R477 I514 D515 R639 | Y473-E518 HydrophobicContact CE2-CB 4.33Å; Y473-E518 PolarHBondContact OH-OE2 3.24Å; R477-E518 IonicContact CZ-OE1 3.54Å; R477-E518 IonicContact CZ-OE2 3.22Å; R477-E518 IonicContact NE-OE1 3.31Å; R477-E518 IonicContact NE-OE2 2.78Å; R477-E518 IonicContact NH1-OE1 3.89Å; R477-E518 IonicContact NH2-OE1 2.76Å; R477-E518 PolarHBondContact NH2-OE1 3.44Å; R477-E518 IonicContact NH2-OE2 2.88Å; R477-E518 PolarHBondContact NH2-OE2 2.62Å; I514-E518 HydrophobicContact CG2-CG 4.06Å; I514-E518 WeakPolarHBondContact O-CG 3.32Å; I514-E518 PolarHBondContact O-N 2.77Å; D515-E518 PolarHBondContact O-N 2.72Å; E518-R639 PolarHBondContact O-NH1 2.64Å; E518-R639 VanDerWaalsContact O-NH1 3.1Å |
| 519 | K | 81.1 | Confident | 86.2 | Confident | 99 Ų | 99 | 35.8 Ų | 35.8 | 43% | 0.43 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -67.6 | 166.9 | -174.5 | -87.5 | -175.1 | 172 | 164.6 | 0 | 111.8 | D515 M521 G522 S525 | D515-K519 HydrophobicContact CB-CD 3.87Å; D515-K519 HydrophobicContact CB-CG 4.34Å; D515-K519 WeakPolarHBondContact O-CB 3.43Å; D515-K519 PolarHBondContact O-N 3.14Å; D515-K519 VanDerWaalsContact O-N 3.1Å; D515-K519 WeakPolarHBondContact OD1-CE 3.21Å; D515-K519 IonicContact OD1-NZ 2.83Å; D515-K519 PolarHBondContact OD1-NZ 2.63Å; D515-K519 VanDerWaalsContact OD1-NZ 3.13Å; D515-K519 WeakPolarHBondContact OD2-CE 3.1Å; D515-K519 IonicContact OD2-NZ 3.8Å; D515-K519 PolarHBondContact OD2-NZ 2.68Å; K519-M521 PolarHBondContact O-N 2.88Å; K519-G522 WeakPolarHBondContact O-CA 3.23Å; K519-G522 PolarHBondContact O-N 2.8Å; K519-S525 WeakPolarHBondContact O-CB 3.18Å; K519-S525 PolarHBondContact O-OG 3.35Å |
| 520 | P | 70.3 | Confident | 86.7 | Confident | 114 Ų | 114 | 30.9 Ų | 30.9 | 74% | 0.74 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 135 | 159.9 | -24.4 | 35 | 0 | 0 | 0 | 109.7 | G522 | P520-G522 PolarHBondContact O-N 2.6Š|
| 521 | M | 81 | Confident | 86.5 | Confident | 88 Ų | 88 | 29.8 Ų | 29.8 | 43% | 0.433 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 12.8 | -169 | -51 | -57.5 | -62.3 | 0 | 0 | 116.3 | K519 I526 N548 H549 | K519-M521 PolarHBondContact O-N 2.88Å; M521-I526 WeakPolarHBondContact O-CD1 3.03Å; M521-N548 VanDerWaalsContact CE-OD1 3.31Å; M521-N548 WeakPolarHBondContact CE-OD1 3.45Å; M521-H549 PolarHBondContact O-CE1 2.69Å; M521-H549 PolarHBondContact O-NE2 2.68Å |
| 522 | G | 87.8 | Confident | 86 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -84.3 | 168.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L516 K519 P520 L524 S525 I526 | L516-G522 CarbonylContact O-C 3.57Å; L516-G522 VanDerWaalsContact O-CA 3.25Å; L516-G522 WeakPolarHBondContact O-CA 3.39Å; K519-G522 WeakPolarHBondContact O-CA 3.23Å; K519-G522 PolarHBondContact O-N 2.8Å; P520-G522 PolarHBondContact O-N 2.6Å; G522-L524 PolarHBondContact O-N 2.73Å; G522-S525 WeakPolarHBondContact O-CB 3.48Å; G522-S525 PolarHBondContact O-N 2.64Å; G522-I526 WeakPolarHBondContact O-CG1 2.98Å; G522-I526 PolarHBondContact O-N 2.85Å |
| 523 | I | 92.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -51.3 | -46.8 | -170.8 | -63.2 | 165.7 | 0 | 0 | 0 | 113 | I469 L516 I517 L527 F541 L545 F556 F571 L573 | I469-I523 HydrophobicContact CD1-CG2 4.2Å; L516-I523 HydrophobicContact CD1-CD1 4.3Å; L516-I523 HydrophobicContact CD1-CG1 4.46Å; L516-I523 HydrophobicContact CG-CD1 4Å; L516-I523 WeakPolarHBondContact O-CG1 3.42Å; L516-I523 PolarHBondContact O-N 2.76Å; I517-I523 HydrophobicContact CG1-CD1 4.26Å; I517-I523 PolarHBondContact O-N 3.45Å; I523-L527 WeakPolarHBondContact O-CB 3.12Å; I523-L527 PolarHBondContact O-N 2.71Å; I523-L527 VanDerWaalsContact O-N 3.1Å; I523-F541 HydrophobicContact CG2-CZ 4.1Å; I523-L545 HydrophobicContact CB-CD2 4.26Å; I523-L545 HydrophobicContact CG1-CD2 3.97Å; I523-L545 HydrophobicContact CG2-CD2 4.21Å; I523-F556 HydrophobicContact CD1-CD2 4.44Å; I523-F571 HydrophobicContact CD1-CE2 4.15Å; I523-F571 HydrophobicContact CG2-CZ 4.49Å; I523-L573 HydrophobicContact CD1-CD1 3.96Å; I523-L573 HydrophobicContact CD1-CD2 3.94Å |
| 524 | L | 90.5 | Very high | 84.8 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.7 | -38.3 | 179 | -64.8 | 178.2 | 0 | 0 | 0 | 112.1 | F466 Y473 I517 G522 L527 E528 | F466-L524 HydrophobicContact CE2-CD2 4.35Å; Y473-L524 HydrophobicContact CD1-CD1 4.15Å; Y473-L524 HydrophobicContact CE1-CD1 4.2Å; I517-L524 HydrophobicContact CG2-CD1 3.77Å; I517-L524 HydrophobicContact CG2-CG 3.8Å; I517-L524 WeakPolarHBondContact O-CB 3.23Å; I517-L524 PolarHBondContact O-N 3.13Å; G522-L524 PolarHBondContact O-N 2.73Å; L524-L527 WeakPolarHBondContact O-CB 3.05Å; L524-L527 PolarHBondContact O-N 3.36Å; L524-E528 VanDerWaalsContact O-CG 3.32Å; L524-E528 WeakPolarHBondContact O-CG 3.17Å; L524-E528 PolarHBondContact O-N 2.71Å |
| 525 | S | 86.5 | Confident | 84.3 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.7 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | K519 G522 L527 E528 E529 | K519-S525 WeakPolarHBondContact O-CB 3.18Å; K519-S525 PolarHBondContact O-OG 3.35Å; G522-S525 WeakPolarHBondContact O-CB 3.48Å; G522-S525 PolarHBondContact O-N 2.64Å; S525-L527 VanDerWaalsContact C-N 3.3Å; S525-L527 PolarHBondContact O-N 2.62Å; S525-E528 PolarHBondContact O-N 3.23Å; S525-E529 PolarHBondContact O-N 2.69Å |
| 526 | I | 90.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.4 | -38 | 174.2 | -63.1 | 172.6 | 0 | 0 | 0 | 110.4 | M521 G522 E529 E530 F541 K544 L545 N548 | M521-I526 WeakPolarHBondContact O-CD1 3.03Å; G522-I526 WeakPolarHBondContact O-CG1 2.98Å; G522-I526 PolarHBondContact O-N 2.85Å; I526-E529 PolarHBondContact O-N 2.86Å; I526-E530 HydrophobicContact CG2-CG 4.49Å; I526-E530 WeakPolarHBondContact O-CB 3.08Å; I526-E530 WeakPolarHBondContact O-CG 3.06Å; I526-E530 PolarHBondContact O-N 2.89Å; I526-F541 HydrophobicContact CB-CE2 4.26Å; I526-F541 HydrophobicContact CG2-CD2 3.85Å; I526-F541 HydrophobicContact CG2-CE2 4.02Å; I526-K544 HydrophobicContact CG2-CB 3.64Å; I526-K544 HydrophobicContact CG2-CD 3.88Å; I526-K544 HydrophobicContact CG2-CG 4.44Å; I526-L545 HydrophobicContact CB-CD2 4.45Å; I526-L545 HydrophobicContact CD1-CD2 4.06Å; I526-L545 HydrophobicContact CG2-CD2 4.42Å; I526-N548 HydrophobicContact CD1-CB 4.05Å |
| 527 | L | 89.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.9 | -36 | 176 | -169.5 | 70 | 0 | 0 | 0 | 112.2 | F466 I523 L524 S525 C531 F541 W587 L588 N591 | F466-L527 HydrophobicContact CD2-CD2 3.7Å; F466-L527 HydrophobicContact CE2-CD2 3.45Å; F466-L527 VanDerWaalsContact CE2-CD2 3.45Å; F466-L527 HydrophobicContact CZ-CD2 4.41Å; I523-L527 WeakPolarHBondContact O-CB 3.12Å; I523-L527 PolarHBondContact O-N 2.71Å; I523-L527 VanDerWaalsContact O-N 3.1Å; L524-L527 WeakPolarHBondContact O-CB 3.05Å; L524-L527 PolarHBondContact O-N 3.36Å; S525-L527 VanDerWaalsContact C-N 3.3Å; S525-L527 PolarHBondContact O-N 2.62Å; L527-C531 WeakPolarHBondContact O-CB 3Å; L527-C531 PolarHBondContact O-N 2.69Å; L527-C531 PolarHBondContact O-SG 3.27Å; L527-F541 HydrophobicContact CB-CD2 4.2Å; L527-F541 HydrophobicContact CB-CE2 3.57Å; L527-F541 HydrophobicContact CB-CZ 4Å; L527-F541 HydrophobicContact CD1-CD1 4.11Å; L527-F541 HydrophobicContact CD1-CD2 3.86Å; L527-F541 HydrophobicContact CD1-CE1 3.97Å; L527-F541 HydrophobicContact CD1-CE2 3.75Å; L527-F541 HydrophobicContact CD1-CG 4.06Å; L527-F541 HydrophobicContact CD1-CZ 3.79Å; L527-F541 HydrophobicContact CG-CE2 4.25Å; L527-F541 HydrophobicContact CG-CZ 4.39Å; L527-W587 HydrophobicContact CD1-CB 4.1Å; L527-W587 HydrophobicContact CD1-CE3 4.38Å; L527-W587 HydrophobicContact CD2-CE3 4.21Å; L527-L588 HydrophobicContact CD1-CD2 3.71Å; L527-L588 HydrophobicContact CD1-CG 4.47Å; L527-N591 HydrophobicContact CD2-CB 4.07Å; L527-N591 HydrophobicContact CG-CB 4.41Å |
| 528 | E | 84.4 | Confident | 83.8 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66 | -43.9 | 174.8 | -73.5 | 173.5 | -160 | 0 | 0 | 111.4 | L524 S525 C531 I532 S635 A636 R639 | L524-E528 VanDerWaalsContact O-CG 3.32Å; L524-E528 WeakPolarHBondContact O-CG 3.17Å; L524-E528 PolarHBondContact O-N 2.71Å; S525-E528 PolarHBondContact O-N 3.23Å; E528-C531 WeakPolarHBondContact O-CB 3.05Å; E528-C531 PolarHBondContact O-N 2.74Å; E528-I532 PolarHBondContact O-N 2.72Å; E528-S635 VanDerWaalsContact CG-OG 3.26Å; E528-S635 WeakPolarHBondContact CG-OG 3.22Å; E528-S635 PolarHBondContact OE1-OG 3.18Å; E528-A636 WeakPolarHBondContact OE1-CA 3.31Å; E528-A636 PolarHBondContact OE1-N 2.83Å; E528-R639 VanDerWaalsContact CD-NH2 3.32Å; E528-R639 IonicContact OE1-CZ 3.66Å; E528-R639 IonicContact OE1-NE 3.57Å; E528-R639 IonicContact OE1-NH2 2.71Å; E528-R639 PolarHBondContact OE1-NH2 3.41Å; E528-R639 IonicContact OE2-CZ 2.69Å; E528-R639 IonicContact OE2-NH2 2.62Å; E528-R639 PolarHBondContact OE2-NH2 2.74Å |
| 529 | E | 85.1 | Confident | 83.9 | Confident | 81 Ų | 81 | 55.8 Ų | 55.8 | 38% | 0.379 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.4 | -52.1 | 173.6 | -72.6 | 175.4 | -161 | 0 | 0 | 112.4 | S525 I526 C531 I532 V533 K544 | S525-E529 PolarHBondContact O-N 2.69Å; I526-E529 PolarHBondContact O-N 2.86Å; E529-C531 PolarHBondContact O-N 2.8Å; E529-I532 PolarHBondContact O-N 3.18Å; E529-V533 PolarHBondContact O-N 2.77Å; E529-K544 IonicContact OE2-NZ 2.67Å |
| 530 | E | 87.2 | Confident | 84.4 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.5 | -20.3 | 178.3 | -70.4 | -66.5 | 98.5 | 0 | 0 | 112.3 | I526 A536 T540 F541 K544 L588 | I526-E530 HydrophobicContact CG2-CG 4.49Å; I526-E530 WeakPolarHBondContact O-CB 3.08Å; I526-E530 WeakPolarHBondContact O-CG 3.06Å; I526-E530 PolarHBondContact O-N 2.89Å; E530-A536 HydrophobicContact CB-CB 4.03Å; E530-A536 HydrophobicContact CG-CB 4.5Å; E530-A536 WeakPolarHBondContact O-CB 3.35Å; E530-A536 VanDerWaalsContact OE2-CB 3.32Å; E530-A536 WeakPolarHBondContact OE2-CB 3.29Å; E530-T540 VanDerWaalsContact OE2-CB 3.25Å; E530-T540 WeakPolarHBondContact OE2-CB 3.21Å; E530-T540 PolarHBondContact OE2-OG1 3.17Å; E530-F541 HydrophobicContact CG-CB 4.24Å; E530-F541 HydrophobicContact CG-CD2 4.43Å; E530-K544 HydrophobicContact CG-CD 4Å; E530-K544 WeakPolarHBondContact OE1-CE 3.05Å; E530-K544 IonicContact OE1-NZ 3.37Å; E530-K544 PolarHBondContact OE1-NZ 2.81Å; E530-L588 HydrophobicContact CB-CD1 4.45Å; E530-L588 HydrophobicContact CB-CD2 3.7Å |
| 531 | C | 81.9 | Confident | 85.4 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 170.2 | -76.7 | 0 | 0 | 0 | 0 | 112.1 | L527 E528 E529 N591 K592 M631 T633 | L527-C531 WeakPolarHBondContact O-CB 3Å; L527-C531 PolarHBondContact O-N 2.69Å; L527-C531 PolarHBondContact O-SG 3.27Å; E528-C531 WeakPolarHBondContact O-CB 3.05Å; E528-C531 PolarHBondContact O-N 2.74Å; E529-C531 PolarHBondContact O-N 2.8Å; C531-N591 PolarHBondContact SG-ND2 2.75Å; C531-K592 HydrophobicContact CB-CD 4.49Å; C531-K592 HydrophobicContact CB-CG 3.91Å; C531-K592 WeakPolarHBondContact O-CE 3.18Å; C531-K592 PolarHBondContact O-NZ 3.39Å; C531-M631 HydrophobicContact CB-SD 4.41Å; C531-T633 HydrophobicContact CB-CG2 3.87Å |
| 532 | I | 75.4 | Confident | 85.9 | Confident | 119 Ų | 119 | 44.5 Ų | 44.5 | 61% | 0.61 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -75.8 | -30 | -176.6 | -60.8 | 164.8 | 0 | 0 | 0 | 111.5 | E528 E529 P534 | E528-I532 PolarHBondContact O-N 2.72Å; E529-I532 PolarHBondContact O-N 3.18Å; I532-P534 WeakPolarHBondContact O-CD 2.85Å |
| 533 | V | 79.1 | Confident | 86 | Confident | 60 Ų | 60 | 47 Ų | 47 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -67.3 | 119 | -179.3 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | E529 K535 A536 | E529-V533 PolarHBondContact O-N 2.77Å; V533-K535 PolarHBondContact O-N 2.63Å; V533-A536 HydrophobicContact CB-CB 3.89Å; V533-A536 HydrophobicContact CG1-CB 3.95Å; V533-A536 PolarHBondContact O-N 3Å |
| 534 | P | 71.8 | Confident | 86 | Confident | 133 Ų | 133 | 50.1 Ų | 50.1 | 86% | 0.864 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -10.7 | -173 | -25 | 35.5 | 0 | 0 | 0 | 117 | I532 | I532-P534 WeakPolarHBondContact O-CD 2.85Š|
| 535 | K | 80.3 | Confident | 86 | Confident | 199 Ų | 199 | 50 Ų | 50 | 87% | 0.865 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.7 | 7 | -179.5 | -68.1 | -173.8 | 178.7 | 179.4 | 0 | 113.7 | V533 | V533-K535 PolarHBondContact O-N 2.63Š|
| 536 | A | 84 | Confident | 86.3 | Confident | 21 Ų | 21 | 52 Ų | 52 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | trans | -70.7 | 151.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | E530 V533 T540 L588 | E530-A536 HydrophobicContact CB-CB 4.03Å; E530-A536 HydrophobicContact CG-CB 4.5Å; E530-A536 WeakPolarHBondContact O-CB 3.35Å; E530-A536 VanDerWaalsContact OE2-CB 3.32Å; E530-A536 WeakPolarHBondContact OE2-CB 3.29Å; V533-A536 HydrophobicContact CB-CB 3.89Å; V533-A536 HydrophobicContact CG1-CB 3.95Å; V533-A536 PolarHBondContact O-N 3Å; A536-T540 WeakPolarHBondContact CA-OG1 3.14Å; A536-L588 HydrophobicContact CB-CD1 4Å | ||
| 537 | S | 86.8 | Confident | 86.3 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | trans | -137.1 | 165.2 | 175.5 | 63.8 | 0 | 0 | 0 | 0 | 109.1 | Q539 T540 F541 | S537-Q539 PolarHBondContact O-N 2.83Å; S537-T540 PolarHBondContact N-OG1 2.82Å; S537-T540 PolarHBondContact O-N 2.86Å; S537-T540 PolarHBondContact O-OG1 3.33Å; S537-T540 PolarHBondContact OG-N 3.45Å; S537-F541 PolarHBondContact O-N 3.1Å; S537-F541 VanDerWaalsContact O-N 3.09Å | ||
| 538 | D | 88.7 | Confident | 86.2 | Confident | 34 Ų | 34 | 59.8 Ų | 59.8 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.8 | -24.6 | 177.8 | -49.5 | -52.8 | 0 | 0 | 0 | 111.5 | F541 L542 I584 G586 W587 L588 | D538-F541 WeakPolarHBondContact O-CB 3.39Å; D538-L542 PolarHBondContact O-N 2.76Å; D538-I584 HydrophobicContact CB-CB 4.45Å; D538-I584 HydrophobicContact CB-CD1 4.26Å; D538-I584 HydrophobicContact CB-CG1 4.01Å; D538-I584 VanDerWaalsContact CG-O 3.29Å; D538-I584 WeakPolarHBondContact O-CD1 2.99Å; D538-G586 WeakPolarHBondContact OD2-CA 3.28Å; D538-G586 PolarHBondContact OD2-N 2.8Å; D538-W587 PolarHBondContact OD1-N 3.29Å; D538-W587 VanDerWaalsContact OD1-N 3.16Å; D538-L588 WeakPolarHBondContact OD1-CG 3.47Å; D538-L588 PolarHBondContact OD1-N 2.93Å |
| 539 | Q | 88.5 | Confident | 86.5 | Confident | 114 Ų | 114 | 59 Ų | 59 | 53% | 0.533 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.8 | -35.6 | 173.5 | -172 | 59.5 | 58.1 | 0 | 0 | 113.9 | S537 L542 S543 | S537-Q539 PolarHBondContact O-N 2.83Å; Q539-L542 PolarHBondContact O-N 2.78Å; Q539-S543 PolarHBondContact O-N 2.72Å; Q539-S543 VanDerWaalsContact O-N 3.08Å; Q539-S543 PolarHBondContact O-OG 3.3Å |
| 540 | T | 90.3 | Very high | 86.6 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 33% | 0.331 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -73.3 | -34.6 | 174.7 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | E530 A536 S537 S543 K544 | E530-T540 VanDerWaalsContact OE2-CB 3.25Å; E530-T540 WeakPolarHBondContact OE2-CB 3.21Å; E530-T540 PolarHBondContact OE2-OG1 3.17Å; A536-T540 WeakPolarHBondContact CA-OG1 3.14Å; S537-T540 PolarHBondContact N-OG1 2.82Å; S537-T540 PolarHBondContact O-N 2.86Å; S537-T540 PolarHBondContact O-OG1 3.33Å; S537-T540 PolarHBondContact OG-N 3.45Å; T540-S543 PolarHBondContact O-N 3.48Å; T540-K544 PolarHBondContact O-N 3.27Å |
| 541 | F | 92.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.3 | -48.3 | 167 | 173.2 | -112.2 | 0 | 0 | 0 | 111.7 | I523 I526 L527 E530 S537 D538 S543 K544 L545 I584 W587 | I523-F541 HydrophobicContact CG2-CZ 4.1Å; I526-F541 HydrophobicContact CB-CE2 4.26Å; I526-F541 HydrophobicContact CG2-CD2 3.85Å; I526-F541 HydrophobicContact CG2-CE2 4.02Å; L527-F541 HydrophobicContact CB-CD2 4.2Å; L527-F541 HydrophobicContact CB-CE2 3.57Å; L527-F541 HydrophobicContact CB-CZ 4Å; L527-F541 HydrophobicContact CD1-CD1 4.11Å; L527-F541 HydrophobicContact CD1-CD2 3.86Å; L527-F541 HydrophobicContact CD1-CE1 3.97Å; L527-F541 HydrophobicContact CD1-CE2 3.75Å; L527-F541 HydrophobicContact CD1-CG 4.06Å; L527-F541 HydrophobicContact CD1-CZ 3.79Å; L527-F541 HydrophobicContact CG-CE2 4.25Å; L527-F541 HydrophobicContact CG-CZ 4.39Å; E530-F541 HydrophobicContact CG-CB 4.24Å; E530-F541 HydrophobicContact CG-CD2 4.43Å; S537-F541 PolarHBondContact O-N 3.1Å; S537-F541 VanDerWaalsContact O-N 3.09Å; D538-F541 WeakPolarHBondContact O-CB 3.39Å; F541-S543 PolarHBondContact O-N 2.97Å; F541-K544 PolarHBondContact O-N 3.45Å; F541-L545 HydrophobicContact CD1-CD1 4.34Å; F541-L545 HydrophobicContact CD2-CG 4.46Å; F541-L545 HydrophobicContact CE1-CD1 3.7Å; F541-L545 HydrophobicContact CE1-CG 4.23Å; F541-L545 HydrophobicContact CE2-CD1 4.3Å; F541-L545 HydrophobicContact CE2-CD2 3.84Å; F541-L545 HydrophobicContact CE2-CG 4.06Å; F541-L545 HydrophobicContact CZ-CD1 3.67Å; F541-L545 HydrophobicContact CZ-CD2 3.94Å; F541-L545 HydrophobicContact CZ-CG 3.95Å; F541-L545 WeakPolarHBondContact O-CG 3.16Å; F541-L545 PolarHBondContact O-N 3.28Å; F541-I584 HydrophobicContact CD1-CG2 4.34Å; F541-I584 HydrophobicContact CE1-CG2 4.09Å; F541-W587 AromaticContact CE1-CE3 3.62Å; F541-W587 HydrophobicContact CE1-CE3 3.62Å; F541-W587 AromaticContact CE1-CZ3 3.95Å; F541-W587 HydrophobicContact CE1-CZ3 3.95Å; F541-W587 HydrophobicContact CZ-CE3 4.03Å; F541-W587 HydrophobicContact CZ-CZ3 4.15Å |
| 542 | L | 91.5 | Very high | 86.6 | Confident | 10 Ų | 10 | 68.2 Ų | 68.2 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 177 | -174 | 58.7 | 0 | 0 | 0 | 113.5 | D538 Q539 K544 L545 Y546 H570 I584 | D538-L542 PolarHBondContact O-N 2.76Å; Q539-L542 PolarHBondContact O-N 2.78Å; L542-K544 VanDerWaalsContact C-N 3.33Å; L542-K544 PolarHBondContact O-N 3.04Å; L542-L545 PolarHBondContact O-N 3.27Å; L542-L545 VanDerWaalsContact O-N 3.16Å; L542-Y546 HydrophobicContact CD1-CD1 4.33Å; L542-Y546 HydrophobicContact CD1-CD2 4.5Å; L542-Y546 HydrophobicContact CD1-CE1 3.96Å; L542-Y546 HydrophobicContact CD1-CE2 4.12Å; L542-Y546 HydrophobicContact CD2-CE2 4.1Å; L542-Y546 HydrophobicContact CG-CD2 4.22Å; L542-Y546 HydrophobicContact CG-CE2 3.92Å; L542-Y546 PolarHBondContact O-N 3.48Å; L542-H570 HydrophobicContact CD1-CB 4.2Å; L542-H570 HydrophobicContact CD2-CB 4.18Å; L542-I584 HydrophobicContact CB-CD1 3.58Å; L542-I584 HydrophobicContact CD1-CD1 4.24Å; L542-I584 HydrophobicContact CD2-CD1 4.08Å; L542-I584 HydrophobicContact CG-CD1 4.17Å |
| 543 | S | 90.3 | Very high | 87 | Confident | 55 Ų | 55 | 64 Ų | 64 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.8 | -48.9 | 175.3 | -72.2 | 0 | 0 | 0 | 0 | 110.6 | Q539 T540 F541 L545 Y546 D547 | Q539-S543 PolarHBondContact O-N 2.72Å; Q539-S543 VanDerWaalsContact O-N 3.08Å; Q539-S543 PolarHBondContact O-OG 3.3Å; T540-S543 PolarHBondContact O-N 3.48Å; F541-S543 PolarHBondContact O-N 2.97Å; S543-L545 VanDerWaalsContact C-N 3.33Å; S543-L545 PolarHBondContact O-N 2.53Å; S543-Y546 PolarHBondContact O-N 3.31Å; S543-D547 WeakPolarHBondContact O-CB 3.08Å; S543-D547 PolarHBondContact O-N 2.67Å |
| 544 | K | 90.8 | Very high | 87.2 | Confident | 64 Ų | 64 | 66.3 Ų | 66.3 | 28% | 0.278 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.5 | -38.1 | 174.7 | -77.1 | -172.8 | 171.1 | -178.4 | 0 | 113.2 | I526 E529 E530 T540 F541 L542 N548 | I526-K544 HydrophobicContact CG2-CB 3.64Å; I526-K544 HydrophobicContact CG2-CD 3.88Å; I526-K544 HydrophobicContact CG2-CG 4.44Å; E529-K544 IonicContact OE2-NZ 2.67Å; E530-K544 HydrophobicContact CG-CD 4Å; E530-K544 WeakPolarHBondContact OE1-CE 3.05Å; E530-K544 IonicContact OE1-NZ 3.37Å; E530-K544 PolarHBondContact OE1-NZ 2.81Å; T540-K544 PolarHBondContact O-N 3.27Å; F541-K544 PolarHBondContact O-N 3.45Å; L542-K544 VanDerWaalsContact C-N 3.33Å; L542-K544 PolarHBondContact O-N 3.04Å; K544-N548 WeakPolarHBondContact O-CB 3.06Å; K544-N548 PolarHBondContact O-N 3.46Å; K544-N548 PolarHBondContact O-ND2 3.25Å |
| 545 | L | 91.7 | Very high | 88 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 175.4 | -68.4 | -170.3 | 0 | 0 | 0 | 111.9 | I523 I526 F541 L542 S543 H549 F556 F571 | I523-L545 HydrophobicContact CB-CD2 4.26Å; I523-L545 HydrophobicContact CG1-CD2 3.97Å; I523-L545 HydrophobicContact CG2-CD2 4.21Å; I526-L545 HydrophobicContact CB-CD2 4.45Å; I526-L545 HydrophobicContact CD1-CD2 4.06Å; I526-L545 HydrophobicContact CG2-CD2 4.42Å; F541-L545 HydrophobicContact CD1-CD1 4.34Å; F541-L545 HydrophobicContact CD2-CG 4.46Å; F541-L545 HydrophobicContact CE1-CD1 3.7Å; F541-L545 HydrophobicContact CE1-CG 4.23Å; F541-L545 HydrophobicContact CE2-CD1 4.3Å; F541-L545 HydrophobicContact CE2-CD2 3.84Å; F541-L545 HydrophobicContact CE2-CG 4.06Å; F541-L545 HydrophobicContact CZ-CD1 3.67Å; F541-L545 HydrophobicContact CZ-CD2 3.94Å; F541-L545 HydrophobicContact CZ-CG 3.95Å; F541-L545 WeakPolarHBondContact O-CG 3.16Å; F541-L545 PolarHBondContact O-N 3.28Å; L542-L545 PolarHBondContact O-N 3.27Å; L542-L545 VanDerWaalsContact O-N 3.16Å; S543-L545 VanDerWaalsContact C-N 3.33Å; S543-L545 PolarHBondContact O-N 2.53Å; L545-H549 WeakPolarHBondContact O-CB 3.41Å; L545-H549 PolarHBondContact O-CD2 2.77Å; L545-H549 PolarHBondContact O-N 3.48Å; L545-F556 HydrophobicContact CB-CE2 4.34Å; L545-F556 HydrophobicContact CB-CZ 4.04Å; L545-F556 HydrophobicContact CD1-CE2 4.47Å; L545-F571 HydrophobicContact CD1-CD1 3.99Å; L545-F571 HydrophobicContact CD1-CE1 3.84Å; L545-F571 HydrophobicContact CD1-CG 4.49Å; L545-F571 HydrophobicContact CD1-CZ 4.2Å |
| 546 | Y | 92.5 | Very high | 88.6 | Confident | 55 Ų | 55 | 52.6 Ų | 52.6 | 22% | 0.216 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64 | -48.2 | 176.8 | -72.9 | -19.4 | 0 | 0 | 0 | 111.9 | L542 S543 N548 L550 F556 K558 H570 | L542-Y546 HydrophobicContact CD1-CD1 4.33Å; L542-Y546 HydrophobicContact CD1-CD2 4.5Å; L542-Y546 HydrophobicContact CD1-CE1 3.96Å; L542-Y546 HydrophobicContact CD1-CE2 4.12Å; L542-Y546 HydrophobicContact CD2-CE2 4.1Å; L542-Y546 HydrophobicContact CG-CD2 4.22Å; L542-Y546 HydrophobicContact CG-CE2 3.92Å; L542-Y546 PolarHBondContact O-N 3.48Å; S543-Y546 PolarHBondContact O-N 3.31Å; Y546-N548 PolarHBondContact O-N 2.71Å; Y546-L550 HydrophobicContact CD1-CB 4.5Å; Y546-L550 HydrophobicContact CD1-CD2 4.34Å; Y546-L550 HydrophobicContact CG-CD2 4.43Å; Y546-L550 VanDerWaalsContact O-CB 3.23Å; Y546-L550 WeakPolarHBondContact O-CB 3.12Å; Y546-L550 PolarHBondContact O-N 2.78Å; Y546-L550 VanDerWaalsContact O-N 3.11Å; Y546-F556 AromaticContact CD1-CE1 3.86Å; Y546-F556 HydrophobicContact CD1-CE1 3.86Å; Y546-F556 HydrophobicContact CD1-CZ 4.14Å; Y546-F556 HydrophobicContact CE1-CE1 4.18Å; Y546-F556 HydrophobicContact CE1-CZ 4.4Å; Y546-K558 HydrophobicContact CE1-CD 4.48Å; Y546-K558 HydrophobicContact CE1-CG 3.88Å; Y546-H570 PolarHBondContact OH-O 2.8Å |
| 547 | D | 89.7 | Confident | 88.9 | Confident | 118 Ų | 118 | 53.6 Ų | 53.6 | 63% | 0.631 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.1 | -31.1 | -178.9 | -64.5 | -25.9 | 0 | 0 | 0 | 112.3 | S543 K552 | S543-D547 WeakPolarHBondContact O-CB 3.08Å; S543-D547 PolarHBondContact O-N 2.67Å; D547-K552 PolarHBondContact O-NZ 3.5Å |
| 548 | N | 87.7 | Confident | 88.9 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 24% | 0.235 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -84.8 | -45.9 | 178.1 | -76.7 | -71.1 | 0 | 0 | 0 | 113.7 | M521 I526 K544 Y546 K552 | M521-N548 VanDerWaalsContact CE-OD1 3.31Å; M521-N548 WeakPolarHBondContact CE-OD1 3.45Å; I526-N548 HydrophobicContact CD1-CB 4.05Å; K544-N548 WeakPolarHBondContact O-CB 3.06Å; K544-N548 PolarHBondContact O-N 3.46Å; K544-N548 PolarHBondContact O-ND2 3.25Å; Y546-N548 PolarHBondContact O-N 2.71Å; N548-K552 WeakPolarHBondContact O-CD 3.06Å; N548-K552 WeakPolarHBondContact O-CE 3.42Å; N548-K552 PolarHBondContact O-NZ 2.79Å |
| 549 | H | 90.4 | Very high | 88.6 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 6% | 0.06 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -111.9 | -28.6 | -164.8 | -54.2 | -56.8 | 0 | 0 | 0 | 115.9 | L516 M521 L545 G551 K552 S553 F556 | L516-H549 HydrophobicContact CD1-CB 3.92Å; L516-H549 VanDerWaalsContact CD1-CG 3.43Å; L516-H549 VanDerWaalsContact CD1-ND1 3.32Å; L516-H549 WeakPolarHBondContact CD1-ND1 3.06Å; M521-H549 PolarHBondContact O-CE1 2.69Å; M521-H549 PolarHBondContact O-NE2 2.68Å; L545-H549 WeakPolarHBondContact O-CB 3.41Å; L545-H549 PolarHBondContact O-CD2 2.77Å; L545-H549 PolarHBondContact O-N 3.48Å; H549-G551 PolarHBondContact O-N 2.78Å; H549-K552 PolarHBondContact O-N 3.17Å; H549-S553 PolarHBondContact O-N 3.16Å; H549-F556 HydrophobicContact CB-CB 4.1Å; H549-F556 HydrophobicContact CB-CD1 3.96Å; H549-F556 HydrophobicContact CB-CD2 3.95Å; H549-F556 HydrophobicContact CB-CE1 4.44Å; H549-F556 HydrophobicContact CB-CE2 4.41Å; H549-F556 HydrophobicContact CB-CG 3.72Å |
| 550 | L | 88.7 | Confident | 88 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 34% | 0.335 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 122.5 | -170.7 | -174.5 | 67.4 | 0 | 0 | 0 | 111.1 | Y546 K552 F556 K558 | Y546-L550 HydrophobicContact CD1-CB 4.5Å; Y546-L550 HydrophobicContact CD1-CD2 4.34Å; Y546-L550 HydrophobicContact CG-CD2 4.43Å; Y546-L550 VanDerWaalsContact O-CB 3.23Å; Y546-L550 WeakPolarHBondContact O-CB 3.12Å; Y546-L550 PolarHBondContact O-N 2.78Å; Y546-L550 VanDerWaalsContact O-N 3.11Å; L550-K552 PolarHBondContact O-N 3.36Å; L550-F556 HydrophobicContact CB-CD1 4.49Å; L550-F556 HydrophobicContact CB-CE1 4.43Å; L550-F556 HydrophobicContact CD1-CD1 4.34Å; L550-F556 HydrophobicContact CD1-CE1 4.39Å; L550-K558 HydrophobicContact CD1-CG 4.02Å; L550-K558 HydrophobicContact CD2-CD 4.28Å; L550-K558 HydrophobicContact CD2-CG 4.49Å |
| 551 | G | 81.9 | Confident | 87.1 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 81% | 0.814 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | -3.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | H549 | H549-G551 PolarHBondContact O-N 2.78Š|
| 552 | K | 85.9 | Confident | 85.7 | Confident | 141 Ų | 141 | 65 Ų | 65 | 61% | 0.613 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -30.2 | 173.6 | -55.4 | -174.3 | -142.6 | 150.8 | 0 | 112.6 | D547 N548 H549 L550 | D547-K552 PolarHBondContact O-NZ 3.5Å; N548-K552 WeakPolarHBondContact O-CD 3.06Å; N548-K552 WeakPolarHBondContact O-CE 3.42Å; N548-K552 PolarHBondContact O-NZ 2.79Å; H549-K552 PolarHBondContact O-N 3.17Å; L550-K552 PolarHBondContact O-N 3.36Å |
| 553 | S | 83.9 | Confident | 84.4 | Confident | 32 Ų | 32 | 72.3 Ų | 72.3 | 22% | 0.224 | 40% | 0.395 | C | S | . | . | trans | -112.6 | 121 | 178.3 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | H549 N555 F556 | H549-S553 PolarHBondContact O-N 3.16Å; S553-N555 PolarHBondContact O-N 2.96Å; S553-F556 PolarHBondContact O-N 3.27Å | ||
| 554 | P | 84.2 | Confident | 82.9 | Confident | 108 Ų | 108 | 76.3 Ų | 76.3 | 70% | 0.701 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -23.6 | -179.2 | 26.7 | -34.6 | 0 | 0 | 0 | 112.7 | F556 H574 | P554-F556 VanDerWaalsContact C-N 3.29Å; P554-F556 PolarHBondContact O-N 3.04Å; P554-H574 PolarHBondContact O-CD2 3.37Å |
| 555 | N | 88.7 | Confident | 81.6 | Confident | 40 Ų | 40 | 77.5 Ų | 77.5 | 21% | 0.214 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 2.2 | -178.4 | -57.2 | -6.2 | 0 | 0 | 0 | 113.5 | C513 L516 S553 L573 H574 | C513-N555 WeakPolarHBondContact CB-ND2 3.27Å; C513-N555 PolarHBondContact N-ND2 3.29Å; L516-N555 HydrophobicContact CD2-CB 4.05Å; S553-N555 PolarHBondContact O-N 2.96Å; N555-L573 WeakPolarHBondContact O-CA 3.42Å; N555-H574 PolarHBondContact O-N 3.47Å |
| 556 | F | 92.6 | Very high | 80.3 | Confident | 4 Ų | 4 | 82.9 Ų | 82.9 | 2% | 0.018 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 117.7 | -178.4 | -172.6 | -78.5 | 0 | 0 | 0 | 110.9 | L516 I523 L545 Y546 H549 L550 S553 P554 F571 L573 | L516-F556 HydrophobicContact CD1-CB 4.37Å; L516-F556 HydrophobicContact CD1-CD2 4.29Å; L516-F556 HydrophobicContact CD2-CB 3.98Å; L516-F556 HydrophobicContact CD2-CD2 4.48Å; I523-F556 HydrophobicContact CD1-CD2 4.44Å; L545-F556 HydrophobicContact CB-CE2 4.34Å; L545-F556 HydrophobicContact CB-CZ 4.04Å; L545-F556 HydrophobicContact CD1-CE2 4.47Å; Y546-F556 AromaticContact CD1-CE1 3.86Å; Y546-F556 HydrophobicContact CD1-CE1 3.86Å; Y546-F556 HydrophobicContact CD1-CZ 4.14Å; Y546-F556 HydrophobicContact CE1-CE1 4.18Å; Y546-F556 HydrophobicContact CE1-CZ 4.4Å; H549-F556 HydrophobicContact CB-CB 4.1Å; H549-F556 HydrophobicContact CB-CD1 3.96Å; H549-F556 HydrophobicContact CB-CD2 3.95Å; H549-F556 HydrophobicContact CB-CE1 4.44Å; H549-F556 HydrophobicContact CB-CE2 4.41Å; H549-F556 HydrophobicContact CB-CG 3.72Å; L550-F556 HydrophobicContact CB-CD1 4.49Å; L550-F556 HydrophobicContact CB-CE1 4.43Å; L550-F556 HydrophobicContact CD1-CD1 4.34Å; L550-F556 HydrophobicContact CD1-CE1 4.39Å; S553-F556 PolarHBondContact O-N 3.27Å; P554-F556 VanDerWaalsContact C-N 3.29Å; P554-F556 PolarHBondContact O-N 3.04Å; F556-F571 HydrophobicContact CD2-CD2 4.22Å; F556-F571 HydrophobicContact CE1-CB 4.39Å; F556-F571 HydrophobicContact CE2-CB 4.02Å; F556-F571 AromaticContact CE2-CD2 3.56Å; F556-F571 HydrophobicContact CE2-CD2 3.56Å; F556-F571 HydrophobicContact CE2-CE2 4.21Å; F556-F571 AromaticContact CE2-CG 3.97Å; F556-F571 HydrophobicContact CE2-CG 3.97Å; F556-F571 HydrophobicContact CZ-CB 3.66Å; F556-F571 HydrophobicContact CZ-CD2 4.12Å; F556-F571 HydrophobicContact CZ-CG 4.08Å; F556-L573 HydrophobicContact CB-CD2 4.46Å; F556-L573 HydrophobicContact CD2-CD2 3.61Å; F556-L573 HydrophobicContact CE2-CD2 4.28Å; F556-L573 HydrophobicContact CG-CD2 4.38Å |
| 557 | T | 90.5 | Very high | 79 | Confident | 42 Ų | 42 | 84.4 Ų | 84.4 | 26% | 0.258 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 168.1 | -178.6 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | E572 H574 | T557-E572 PolarHBondContact N-O 3.3Å; T557-E572 PolarHBondContact O-N 3.14Å; T557-E572 PolarHBondContact OG1-O 2.83Å; T557-H574 WeakPolarHBondContact CG2-NE2 3.14Å; T557-H574 PolarHBondContact OG1-CE1 2.74Å; T557-H574 PolarHBondContact OG1-NE2 2.85Å |
| 558 | K | 86.4 | Confident | 78.1 | Confident | 117 Ų | 117 | 85.2 Ų | 85.2 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 135.8 | 168.8 | -77.6 | -176.3 | 169.9 | 174.1 | 0 | 109.2 | Y546 L550 | Y546-K558 HydrophobicContact CE1-CD 4.48Å; Y546-K558 HydrophobicContact CE1-CG 3.88Å; L550-K558 HydrophobicContact CD1-CG 4.02Å; L550-K558 HydrophobicContact CD2-CD 4.28Å; L550-K558 HydrophobicContact CD2-CG 4.49Å |
| 559 | P | 81.7 | Confident | 77.8 | Confident | 30 Ų | 30 | 84.1 Ų | 84.1 | 20% | 0.195 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 150.3 | -177.6 | 27.8 | -32.6 | 0 | 0 | 0 | 110.7 | A569 E572 | P559-A569 HydrophobicContact CB-CB 4Å; P559-A569 HydrophobicContact CG-CB 3.98Å; P559-A569 WeakPolarHBondContact CG-O 3.34Å; P559-E572 WeakPolarHBondContact CA-OE2 3.1Å; P559-E572 HydrophobicContact CB-CB 4.25Å |
| 560 | K | 76.7 | Confident | 77.7 | Confident | 173 Ų | 173 | 85.6 Ų | 85.6 | 75% | 0.752 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 140.3 | 173 | -65.4 | 167.5 | -172 | 165.7 | 0 | 109.5 | ||
| 561 | P | 70.5 | Confident | 77.8 | Confident | 121 Ų | 121 | 82.5 Ų | 82.5 | 79% | 0.786 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 134.5 | -178.2 | -28.5 | 35.2 | 0 | 0 | 0 | 112.4 | ||
| 562 | P | 64.4 | Low | 78.2 | Confident | 54 Ų | 54 | 79.8 Ų | 79.8 | 35% | 0.351 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 145.1 | -173.7 | 25.6 | -34.4 | 0 | 0 | 0 | 111.9 | H566 E568 | P562-H566 HydrophobicContact CB-CB 4.2Å; P562-E568 HydrophobicContact CG-CB 4.28Å; P562-E568 HydrophobicContact CG-CG 4.3Å |
| 563 | K | 64.2 | Low | 78.5 | Confident | 165 Ų | 165 | 73.1 Ų | 73.1 | 72% | 0.717 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 141.8 | 165.3 | -70.2 | 178.1 | -179.1 | 173.9 | 0 | 108.7 | G565 H566 | K563-G565 PolarHBondContact O-N 2.7Å; K563-H566 PolarHBondContact O-CD2 3.49Å; K563-H566 PolarHBondContact O-N 2.86Å; K563-H566 VanDerWaalsContact O-N 3.08Å |
| 564 | P | 57.2 | Low | 78.7 | Confident | 139 Ų | 139 | 74.4 Ų | 74.4 | 90% | 0.903 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 124 | -177.8 | -28.6 | 35.3 | 0 | 0 | 0 | 112.6 | ||
| 565 | G | 64.8 | Low | 78.8 | Confident | 88 Ų | 88 | 69.9 Ų | 69.9 | 91% | 0.907 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.2 | -5.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | K563 | K563-G565 PolarHBondContact O-N 2.7Š|
| 566 | H | 63.3 | Low | 78.4 | Confident | 113 Ų | 113 | 69.6 Ų | 69.6 | 52% | 0.523 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -93.1 | 151 | 169.2 | -68.7 | -95.6 | 0 | 0 | 0 | 111.7 | P562 K563 | P562-H566 HydrophobicContact CB-CB 4.2Å; K563-H566 PolarHBondContact O-CD2 3.49Å; K563-H566 PolarHBondContact O-N 2.86Å; K563-H566 VanDerWaalsContact O-N 3.08Å |
| 567 | V | 65 | Low | 77.5 | Confident | 88 Ų | 88 | 69.8 Ų | 69.8 | 53% | 0.533 | 38% | 0.384 | S | S | . | . | trans | -66.3 | 141.5 | 173.1 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | A569 T583 | V567-A569 PolarHBondContact O-N 2.99Å; V567-T583 HydrophobicContact CG1-CG2 4.25Å | ||
| 568 | E | 71.8 | Confident | 77 | Confident | 135 Ų | 135 | 69 Ų | 69 | 63% | 0.631 | 39% | 0.385 | S | S | * | . | trans | -75.1 | 114.3 | 177.8 | -168.5 | 163.5 | -159.2 | 0 | 0 | 110.6 | P562 H570 | P562-E568 HydrophobicContact CG-CB 4.28Å; P562-E568 HydrophobicContact CG-CG 4.3Å; E568-H570 PolarHBondContact O-CE1 2.7Å; E568-H570 VanDerWaalsContact O-CE1 3.25Å; E568-H570 PolarHBondContact O-ND1 2.77Å | ||
| 569 | A | 80.4 | Confident | 76.9 | Confident | 21 Ų | 21 | 66 Ų | 66 | 17% | 0.174 | 38% | 0.378 | C | S | . | . | trans | -70.8 | 151.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P559 V567 P581 | P559-A569 HydrophobicContact CB-CB 4Å; P559-A569 HydrophobicContact CG-CB 3.98Å; P559-A569 WeakPolarHBondContact CG-O 3.34Å; V567-A569 PolarHBondContact O-N 2.99Å; A569-P581 HydrophobicContact CB-CB 3.68Å | ||
| 570 | H | 88.6 | Confident | 77.2 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 20% | 0.199 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -105.4 | -30.4 | -170.5 | -64.4 | 61.5 | 0 | 0 | 0 | 112.8 | L542 Y546 E568 Y582 I584 | L542-H570 HydrophobicContact CD1-CB 4.2Å; L542-H570 HydrophobicContact CD2-CB 4.18Å; Y546-H570 PolarHBondContact OH-O 2.8Å; E568-H570 PolarHBondContact O-CE1 2.7Å; E568-H570 VanDerWaalsContact O-CE1 3.25Å; E568-H570 PolarHBondContact O-ND1 2.77Å; H570-Y582 PolarHBondContact N-O 3.43Å; H570-I584 HydrophobicContact CB-CD1 3.94Å; H570-I584 HydrophobicContact CB-CG1 4.04Å; H570-I584 HydrophobicContact CB-CG2 4.16Å; H570-I584 VanDerWaalsContact CD2-CD1 3.41Å; H570-I584 WeakPolarHBondContact CD2-CD1 3.4Å; H570-I584 WeakPolarHBondContact CD2-CG1 3.49Å |
| 571 | F | 91.8 | Very high | 77.8 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 160.2 | 169.2 | 68.5 | -81.7 | 0 | 0 | 0 | 110.8 | I469 I523 L545 F556 L573 Y582 I584 W587 | I469-F571 HydrophobicContact CD1-CE2 4.45Å; I469-F571 HydrophobicContact CD1-CZ 4.16Å; I523-F571 HydrophobicContact CD1-CE2 4.15Å; I523-F571 HydrophobicContact CG2-CZ 4.49Å; L545-F571 HydrophobicContact CD1-CD1 3.99Å; L545-F571 HydrophobicContact CD1-CE1 3.84Å; L545-F571 HydrophobicContact CD1-CG 4.49Å; L545-F571 HydrophobicContact CD1-CZ 4.2Å; F556-F571 HydrophobicContact CD2-CD2 4.22Å; F556-F571 HydrophobicContact CE1-CB 4.39Å; F556-F571 HydrophobicContact CE2-CB 4.02Å; F556-F571 AromaticContact CE2-CD2 3.56Å; F556-F571 HydrophobicContact CE2-CD2 3.56Å; F556-F571 HydrophobicContact CE2-CE2 4.21Å; F556-F571 AromaticContact CE2-CG 3.97Å; F556-F571 HydrophobicContact CE2-CG 3.97Å; F556-F571 HydrophobicContact CZ-CB 3.66Å; F556-F571 HydrophobicContact CZ-CD2 4.12Å; F556-F571 HydrophobicContact CZ-CG 4.08Å; F571-L573 HydrophobicContact CD2-CD2 3.81Å; F571-L573 HydrophobicContact CD2-CG 3.91Å; F571-L573 HydrophobicContact CE2-CD1 3.93Å; F571-L573 HydrophobicContact CE2-CD2 3.78Å; F571-L573 HydrophobicContact CE2-CG 3.63Å; F571-Y582 HydrophobicContact CD2-CD2 4.47Å; F571-Y582 AromaticContact CE2-CD2 3.94Å; F571-Y582 HydrophobicContact CE2-CD2 3.94Å; F571-Y582 HydrophobicContact CE2-CG 4.44Å; F571-Y582 HydrophobicContact CZ-CD2 4.21Å; F571-Y582 HydrophobicContact CZ-CG 4.26Å; F571-Y582 PolarHBondContact N-O 3.41Å; F571-Y582 PolarHBondContact O-N 2.66Å; F571-I584 HydrophobicContact CD1-CG2 3.96Å; F571-I584 HydrophobicContact CE1-CG2 3.64Å; F571-W587 AromaticContact CE1-CH2 3.84Å; F571-W587 HydrophobicContact CE1-CH2 3.84Å; F571-W587 HydrophobicContact CE1-CZ3 4.16Å; F571-W587 AromaticContact CZ-CH2 3.7Å; F571-W587 HydrophobicContact CZ-CH2 3.7Å; F571-W587 HydrophobicContact CZ-CZ3 4.09Å |
| 572 | E | 90.4 | Very high | 78.8 | Confident | 22 Ų | 22 | 52.6 Ų | 52.6 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.3 | 176.9 | -174.7 | 170.4 | -174.1 | 0 | 0 | 109.1 | T557 P559 S579 V580 | T557-E572 PolarHBondContact N-O 3.3Å; T557-E572 PolarHBondContact O-N 3.14Å; T557-E572 PolarHBondContact OG1-O 2.83Å; P559-E572 WeakPolarHBondContact CA-OE2 3.1Å; P559-E572 HydrophobicContact CB-CB 4.25Å; E572-S579 WeakPolarHBondContact OE1-CB 2.78Å; E572-V580 WeakPolarHBondContact CA-O 3.21Å |
| 573 | L | 91.3 | Very high | 80 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 138.3 | 173.9 | -63.2 | -173.7 | 0 | 0 | 0 | 110.9 | I469 L516 I517 I523 N555 F556 F571 H575 S579 V580 Y582 | I469-L573 HydrophobicContact CD1-CD1 3.96Å; L516-L573 HydrophobicContact CD2-CD2 3.97Å; I517-L573 HydrophobicContact CD1-CD1 4.45Å; I517-L573 HydrophobicContact CG1-CD1 4.48Å; I523-L573 HydrophobicContact CD1-CD1 3.96Å; I523-L573 HydrophobicContact CD1-CD2 3.94Å; N555-L573 WeakPolarHBondContact O-CA 3.42Å; F556-L573 HydrophobicContact CB-CD2 4.46Å; F556-L573 HydrophobicContact CD2-CD2 3.61Å; F556-L573 HydrophobicContact CE2-CD2 4.28Å; F556-L573 HydrophobicContact CG-CD2 4.38Å; F571-L573 HydrophobicContact CD2-CD2 3.81Å; F571-L573 HydrophobicContact CD2-CG 3.91Å; F571-L573 HydrophobicContact CE2-CD1 3.93Å; F571-L573 HydrophobicContact CE2-CD2 3.78Å; F571-L573 HydrophobicContact CE2-CG 3.63Å; L573-H575 PolarHBondContact O-N 3.38Å; L573-S579 CarbonylContact O-C 3.49Å; L573-S579 VanDerWaalsContact O-CA 3.31Å; L573-S579 WeakPolarHBondContact O-CA 2.93Å; L573-V580 PolarHBondContact N-O 3.5Å; L573-V580 PolarHBondContact O-N 3.42Å; L573-Y582 HydrophobicContact CB-CE2 4.05Å; L573-Y582 HydrophobicContact CD1-CD2 4.29Å; L573-Y582 HydrophobicContact CD1-CE2 3.83Å; L573-Y582 HydrophobicContact CG-CD2 4.12Å; L573-Y582 HydrophobicContact CG-CE2 3.94Å |
| 574 | H | 88.2 | Confident | 81.3 | Confident | 60 Ų | 60 | 42.7 Ų | 42.7 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 99 | 171 | -55.5 | -55.9 | 0 | 0 | 0 | 109.3 | P554 N555 T557 S579 | P554-H574 PolarHBondContact O-CD2 3.37Å; N555-H574 PolarHBondContact O-N 3.47Å; T557-H574 WeakPolarHBondContact CG2-NE2 3.14Å; T557-H574 PolarHBondContact OG1-CE1 2.74Å; T557-H574 PolarHBondContact OG1-NE2 2.85Å; H574-S579 PolarHBondContact CE1-OG 3.25Å; H574-S579 PolarHBondContact ND1-OG 2.79Å |
| 575 | H | 85.4 | Confident | 82.7 | Confident | 12 Ų | 12 | 40.7 Ų | 40.7 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 165.2 | 175.7 | -70.4 | -86.8 | 0 | 0 | 0 | 111 | F458 E476 L573 A577 G578 Y582 | F458-H575 HydrophobicContact CE2-CB 3.78Å; F458-H575 AromaticContact CE2-CG 3.93Å; F458-H575 HydrophobicContact CZ-CB 3.45Å; F458-H575 VanDerWaalsContact CZ-CB 3.45Å; F458-H575 AromaticContact CZ-CD2 3.92Å; F458-H575 AromaticContact CZ-CG 3.57Å; E476-H575 WeakPolarHBondContact OE2-CB 3.04Å; E476-H575 IonicContact OE2-CE1 3.54Å; E476-H575 IonicContact OE2-CG 2.71Å; E476-H575 IonicContact OE2-ND1 3.71Å; E476-H575 PolarHBondContact OE2-ND1 3.41Å; L573-H575 PolarHBondContact O-N 3.38Å; H575-A577 PolarHBondContact O-N 2.66Å; H575-G578 WeakPolarHBondContact CB-O 3.13Å; H575-G578 PolarHBondContact N-O 2.76Å; H575-G578 VanDerWaalsContact N-O 3.08Å; H575-G578 PolarHBondContact O-N 3.17Å; H575-Y582 AromaticContact NE2-CE2 3.52Å; H575-Y582 AromaticContact NE2-CZ 3.62Å; H575-Y582 PolarHBondContact NE2-OH 3.41Å |
| 576 | Y | 80.2 | Confident | 83.5 | Confident | 35 Ų | 35 | 37.3 Ų | 37.3 | 14% | 0.137 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -25.6 | 174.8 | 83.3 | -92.9 | 0 | 0 | 0 | 114.4 | F458 N475 E476 Q479 L510 C682 | F458-Y576 HydrophobicContact CD2-CD1 4.45Å; F458-Y576 AromaticContact CD2-CE1 3.67Å; F458-Y576 HydrophobicContact CD2-CE1 3.67Å; F458-Y576 HydrophobicContact CE2-CD1 4.4Å; F458-Y576 HydrophobicContact CE2-CE1 4.03Å; N475-Y576 HydrophobicContact CB-CE1 4.16Å; E476-Y576 PolarHBondContact OE1-N 3.45Å; E476-Y576 VanDerWaalsContact OE1-N 3.1Å; Q479-Y576 HydrophobicContact CB-CD1 4.04Å; Q479-Y576 HydrophobicContact CB-CD2 4.44Å; Q479-Y576 HydrophobicContact CB-CE1 3.99Å; Q479-Y576 HydrophobicContact CB-CE2 4.4Å; Q479-Y576 HydrophobicContact CB-CG 4.26Å; Q479-Y576 HydrophobicContact CG-CD1 4.26Å; Q479-Y576 HydrophobicContact CG-CD2 3.92Å; Q479-Y576 HydrophobicContact CG-CE1 4.49Å; Q479-Y576 HydrophobicContact CG-CE2 4.17Å; Q479-Y576 HydrophobicContact CG-CG 3.97Å; L510-Y576 HydrophobicContact CD1-CD1 4.25Å; L510-Y576 HydrophobicContact CD1-CG 4.1Å; Y576-C682 HydrophobicContact CD2-CB 4.14Å; Y576-C682 WeakPolarHBondContact CD2-O 3.3Å; Y576-C682 HydrophobicContact CE2-CB 4.37Å; Y576-C682 WeakPolarHBondContact O-CB 3.34Å; Y576-C682 PolarHBondContact O-SG 3.39Å |
| 577 | A | 74.6 | Confident | 84.6 | Confident | 7 Ų | 7 | 32 Ų | 32 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 11.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F458 H575 H678 | F458-A577 HydrophobicContact CB-CB 4.4Å; F458-A577 HydrophobicContact CD1-CB 3.6Å; F458-A577 HydrophobicContact CD2-CB 3.9Å; F458-A577 HydrophobicContact CE1-CB 3.76Å; F458-A577 HydrophobicContact CE2-CB 4.05Å; F458-A577 HydrophobicContact CG-CB 3.69Å; F458-A577 HydrophobicContact CZ-CB 3.99Å; H575-A577 PolarHBondContact O-N 2.66Å; A577-H678 PolarHBondContact O-CE1 2.76Å |
| 578 | G | 80.4 | Confident | 85.6 | Confident | 26 Ų | 26 | 28.1 Ų | 28.1 | 27% | 0.268 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 111.6 | -179.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | H575 | H575-G578 WeakPolarHBondContact CB-O 3.13Å; H575-G578 PolarHBondContact N-O 2.76Å; H575-G578 VanDerWaalsContact N-O 3.08Å; H575-G578 PolarHBondContact O-N 3.17Å |
| 579 | S | 84.9 | Confident | 85.8 | Confident | 54 Ų | 54 | 27.2 Ų | 27.2 | 38% | 0.378 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 131.4 | -179.3 | -45.4 | 0 | 0 | 0 | 0 | 112.1 | E572 L573 H574 | E572-S579 WeakPolarHBondContact OE1-CB 2.78Å; L573-S579 CarbonylContact O-C 3.49Å; L573-S579 VanDerWaalsContact O-CA 3.31Å; L573-S579 WeakPolarHBondContact O-CA 2.93Å; H574-S579 PolarHBondContact CE1-OG 3.25Å; H574-S579 PolarHBondContact ND1-OG 2.79Å |
| 580 | V | 87.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 117.3 | 179 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | F458 I460 N464 E572 L573 Y582 | F458-V580 HydrophobicContact CE1-CG2 3.69Å; F458-V580 HydrophobicContact CZ-CG2 3.86Å; I460-V580 HydrophobicContact CD1-CG2 4.15Å; I460-V580 HydrophobicContact CG1-CG2 4Å; N464-V580 HydrophobicContact CB-CG1 4.13Å; E572-V580 WeakPolarHBondContact CA-O 3.21Å; L573-V580 PolarHBondContact N-O 3.5Å; L573-V580 PolarHBondContact O-N 3.42Å; V580-Y582 HydrophobicContact CB-CD2 4.46Å; V580-Y582 HydrophobicContact CB-CE2 3.73Å; V580-Y582 HydrophobicContact CG1-CD1 4.37Å; V580-Y582 HydrophobicContact CG1-CD2 4.24Å; V580-Y582 HydrophobicContact CG1-CE1 3.8Å; V580-Y582 HydrophobicContact CG1-CE2 3.68Å; V580-Y582 VanDerWaalsContact CG1-CZ 3.44Å; V580-Y582 WeakPolarHBondContact O-CD2 3.44Å |
| 581 | P | 90 | Very high | 85.3 | Confident | 43 Ų | 43 | 27.4 Ų | 27.4 | 28% | 0.279 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 125.8 | 172.7 | 31.8 | -31.8 | 0 | 0 | 0 | 110.9 | N464 A569 | N464-P581 WeakPolarHBondContact CB-O 2.98Å; N464-P581 PolarHBondContact ND2-O 2.95Å; A569-P581 HydrophobicContact CB-CB 3.68Å |
| 582 | Y | 91.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 146 | -177.5 | -68.3 | -79.1 | 0 | 0 | 0 | 112.9 | N464 Q468 I469 N472 H570 F571 L573 H575 V580 W587 | N464-Y582 HydrophobicContact CB-CD1 3.56Å; N464-Y582 HydrophobicContact CB-CE1 3.81Å; N464-Y582 HydrophobicContact CB-CG 4.4Å; N464-Y582 WeakPolarHBondContact O-CA 3.08Å; Q468-Y582 HydrophobicContact CB-CE1 4.33Å; I469-Y582 HydrophobicContact CB-CD1 4.02Å; I469-Y582 HydrophobicContact CB-CE1 3.57Å; I469-Y582 HydrophobicContact CD1-CE2 4.49Å; I469-Y582 HydrophobicContact CG1-CE1 4.28Å; N472-Y582 PolarHBondContact ND2-OH 2.73Å; N472-Y582 VanDerWaalsContact ND2-OH 3.09Å; H570-Y582 PolarHBondContact N-O 3.43Å; F571-Y582 HydrophobicContact CD2-CD2 4.47Å; F571-Y582 AromaticContact CE2-CD2 3.94Å; F571-Y582 HydrophobicContact CE2-CD2 3.94Å; F571-Y582 HydrophobicContact CE2-CG 4.44Å; F571-Y582 HydrophobicContact CZ-CD2 4.21Å; F571-Y582 HydrophobicContact CZ-CG 4.26Å; F571-Y582 PolarHBondContact N-O 3.41Å; F571-Y582 PolarHBondContact O-N 2.66Å; L573-Y582 HydrophobicContact CB-CE2 4.05Å; L573-Y582 HydrophobicContact CD1-CD2 4.29Å; L573-Y582 HydrophobicContact CD1-CE2 3.83Å; L573-Y582 HydrophobicContact CG-CD2 4.12Å; L573-Y582 HydrophobicContact CG-CE2 3.94Å; H575-Y582 AromaticContact NE2-CE2 3.52Å; H575-Y582 AromaticContact NE2-CZ 3.62Å; H575-Y582 PolarHBondContact NE2-OH 3.41Å; V580-Y582 HydrophobicContact CB-CD2 4.46Å; V580-Y582 HydrophobicContact CB-CE2 3.73Å; V580-Y582 HydrophobicContact CG1-CD1 4.37Å; V580-Y582 HydrophobicContact CG1-CD2 4.24Å; V580-Y582 HydrophobicContact CG1-CE1 3.8Å; V580-Y582 HydrophobicContact CG1-CE2 3.68Å; V580-Y582 VanDerWaalsContact CG1-CZ 3.44Å; V580-Y582 WeakPolarHBondContact O-CD2 3.44Å; Y582-W587 HydrophobicContact CD1-CZ2 4.42Å |
| 583 | T | 89.6 | Confident | 83.5 | Confident | 9 Ų | 9 | 29.9 Ų | 29.9 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | trans | -116.2 | 117.3 | 179.6 | -60 | 0 | 0 | 0 | 0 | 109.3 | N464 V567 W587 | N464-T583 PolarHBondContact O-N 3.33Å; V567-T583 HydrophobicContact CG1-CG2 4.25Å; T583-W587 PolarHBondContact O-NE1 2.71Å | ||
| 584 | I | 90.3 | Very high | 82.3 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | trans | -86.3 | -5.5 | -169.4 | 66 | -172.6 | 0 | 0 | 0 | 115.3 | D538 F541 L542 H570 F571 G586 W587 | D538-I584 HydrophobicContact CB-CB 4.45Å; D538-I584 HydrophobicContact CB-CD1 4.26Å; D538-I584 HydrophobicContact CB-CG1 4.01Å; D538-I584 VanDerWaalsContact CG-O 3.29Å; D538-I584 WeakPolarHBondContact O-CD1 2.99Å; F541-I584 HydrophobicContact CD1-CG2 4.34Å; F541-I584 HydrophobicContact CE1-CG2 4.09Å; L542-I584 HydrophobicContact CB-CD1 3.58Å; L542-I584 HydrophobicContact CD1-CD1 4.24Å; L542-I584 HydrophobicContact CD2-CD1 4.08Å; L542-I584 HydrophobicContact CG-CD1 4.17Å; H570-I584 HydrophobicContact CB-CD1 3.94Å; H570-I584 HydrophobicContact CB-CG1 4.04Å; H570-I584 HydrophobicContact CB-CG2 4.16Å; H570-I584 VanDerWaalsContact CD2-CD1 3.41Å; H570-I584 WeakPolarHBondContact CD2-CD1 3.4Å; H570-I584 WeakPolarHBondContact CD2-CG1 3.49Å; F571-I584 HydrophobicContact CD1-CG2 3.96Å; F571-I584 HydrophobicContact CE1-CG2 3.64Å; I584-G586 PolarHBondContact O-N 2.82Å; I584-W587 VanDerWaalsContact CA-CD1 3.45Å; I584-W587 HydrophobicContact CB-CD2 4.3Å; I584-W587 HydrophobicContact CB-CG 4.3Å; I584-W587 HydrophobicContact CG2-CD2 4.29Å; I584-W587 HydrophobicContact CG2-CE3 4.37Å; I584-W587 HydrophobicContact CG2-CZ2 4.46Å; I584-W587 VanDerWaalsContact O-CB 3.25Å; I584-W587 WeakPolarHBondContact O-CB 3.11Å; I584-W587 VanDerWaalsContact O-CG 3.26Å; I584-W587 PolarHBondContact O-N 3.45Å | ||
| 585 | T | 86.2 | Confident | 81.6 | Confident | 97 Ų | 97 | 32.6 Ų | 32.6 | 60% | 0.595 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 121.4 | -172.6 | -45 | 0 | 0 | 0 | 0 | 111.6 | W587 | T585-W587 VanDerWaalsContact C-N 3.34Š|
| 586 | G | 81.6 | Confident | 81.2 | Confident | 17 Ų | 17 | 33.5 Ų | 33.5 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 12.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | D538 I584 E589 K590 | D538-G586 WeakPolarHBondContact OD2-CA 3.28Å; D538-G586 PolarHBondContact OD2-N 2.8Å; I584-G586 PolarHBondContact O-N 2.82Å; G586-E589 PolarHBondContact O-N 3.22Å; G586-K590 WeakPolarHBondContact O-CB 2.95Å; G586-K590 WeakPolarHBondContact O-CG 3.31Å; G586-K590 PolarHBondContact O-N 2.78Å |
| 587 | W | 87.8 | Confident | 81 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -41.8 | 179.8 | -83.1 | 32.2 | 0 | 0 | 0 | 112.5 | F466 I469 L527 D538 F541 F571 Y582 T583 I584 T585 E589 K590 N591 | F466-W587 HydrophobicContact CB-CD2 3.95Å; F466-W587 HydrophobicContact CB-CG 3.93Å; F466-W587 HydrophobicContact CD2-CD2 4.4Å; F466-W587 HydrophobicContact CD2-CE3 4.33Å; F466-W587 VanDerWaalsContact N-CE2 3.35Å; I469-W587 HydrophobicContact CB-CH2 4.24Å; I469-W587 HydrophobicContact CD1-CH2 4.03Å; I469-W587 HydrophobicContact CD1-CZ3 4.44Å; I469-W587 HydrophobicContact CG2-CH2 3.61Å; I469-W587 HydrophobicContact CG2-CZ2 4.07Å; I469-W587 HydrophobicContact CG2-CZ3 4.12Å; L527-W587 HydrophobicContact CD1-CB 4.1Å; L527-W587 HydrophobicContact CD1-CE3 4.38Å; L527-W587 HydrophobicContact CD2-CE3 4.21Å; D538-W587 PolarHBondContact OD1-N 3.29Å; D538-W587 VanDerWaalsContact OD1-N 3.16Å; F541-W587 AromaticContact CE1-CE3 3.62Å; F541-W587 HydrophobicContact CE1-CE3 3.62Å; F541-W587 AromaticContact CE1-CZ3 3.95Å; F541-W587 HydrophobicContact CE1-CZ3 3.95Å; F541-W587 HydrophobicContact CZ-CE3 4.03Å; F541-W587 HydrophobicContact CZ-CZ3 4.15Å; F571-W587 AromaticContact CE1-CH2 3.84Å; F571-W587 HydrophobicContact CE1-CH2 3.84Å; F571-W587 HydrophobicContact CE1-CZ3 4.16Å; F571-W587 AromaticContact CZ-CH2 3.7Å; F571-W587 HydrophobicContact CZ-CH2 3.7Å; F571-W587 HydrophobicContact CZ-CZ3 4.09Å; Y582-W587 HydrophobicContact CD1-CZ2 4.42Å; T583-W587 PolarHBondContact O-NE1 2.71Å; I584-W587 VanDerWaalsContact CA-CD1 3.45Å; I584-W587 HydrophobicContact CB-CD2 4.3Å; I584-W587 HydrophobicContact CB-CG 4.3Å; I584-W587 HydrophobicContact CG2-CD2 4.29Å; I584-W587 HydrophobicContact CG2-CE3 4.37Å; I584-W587 HydrophobicContact CG2-CZ2 4.46Å; I584-W587 VanDerWaalsContact O-CB 3.25Å; I584-W587 WeakPolarHBondContact O-CB 3.11Å; I584-W587 VanDerWaalsContact O-CG 3.26Å; I584-W587 PolarHBondContact O-N 3.45Å; T585-W587 VanDerWaalsContact C-N 3.34Å; W587-E589 VanDerWaalsContact C-N 3.31Å; W587-E589 PolarHBondContact O-N 2.92Å; W587-K590 PolarHBondContact O-N 3.33Å; W587-N591 VanDerWaalsContact O-CB 3.25Å; W587-N591 WeakPolarHBondContact O-CB 2.99Å; W587-N591 PolarHBondContact O-N 3Å |
| 588 | L | 84.3 | Confident | 81.5 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.4 | -38.2 | 175.4 | -69.1 | -178.1 | 0 | 0 | 0 | 111.9 | L527 E530 A536 D538 K592 | L527-L588 HydrophobicContact CD1-CD2 3.71Å; L527-L588 HydrophobicContact CD1-CG 4.47Å; E530-L588 HydrophobicContact CB-CD1 4.45Å; E530-L588 HydrophobicContact CB-CD2 3.7Å; A536-L588 HydrophobicContact CB-CD1 4Å; D538-L588 WeakPolarHBondContact OD1-CG 3.47Å; D538-L588 PolarHBondContact OD1-N 2.93Å; L588-K592 WeakPolarHBondContact O-CB 3.41Å; L588-K592 WeakPolarHBondContact O-CE 3.12Å; L588-K592 WeakPolarHBondContact O-CG 3.35Å; L588-K592 PolarHBondContact O-N 2.86Å; L588-K592 VanDerWaalsContact O-N 3.11Å |
| 589 | E | 76.5 | Confident | 81.7 | Confident | 116 Ų | 116 | 36.9 Ų | 36.9 | 54% | 0.542 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -71 | -40.5 | 176.3 | -62.6 | -165.8 | 161.9 | 0 | 0 | 112.2 | Y415 G586 W587 D593 | Y415-E589 HydrophobicContact CE2-CB 3.91Å; Y415-E589 PolarHBondContact OH-O 3.34Å; G586-E589 PolarHBondContact O-N 3.22Å; W587-E589 VanDerWaalsContact C-N 3.31Å; W587-E589 PolarHBondContact O-N 2.92Å; E589-D593 PolarHBondContact O-N 3.38Å |
| 590 | K | 78.7 | Confident | 81.7 | Confident | 69 Ų | 69 | 35.6 Ų | 35.6 | 30% | 0.3 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 174.9 | -77.6 | 177.9 | 170.1 | -166.9 | 0 | 112.1 | F466 E467 G586 W587 I634 | F466-K590 HydrophobicContact CB-CD 4.16Å; F466-K590 HydrophobicContact CD1-CB 4.16Å; E467-K590 VanDerWaalsContact CD-NZ 3.27Å; E467-K590 WeakPolarHBondContact OE1-CD 3.18Å; E467-K590 WeakPolarHBondContact OE1-CE 3.49Å; E467-K590 IonicContact OE1-NZ 3.92Å; E467-K590 PolarHBondContact OE1-NZ 2.82Å; E467-K590 IonicContact OE2-NZ 2.65Å; E467-K590 PolarHBondContact OE2-NZ 2.99Å; G586-K590 WeakPolarHBondContact O-CB 2.95Å; G586-K590 WeakPolarHBondContact O-CG 3.31Å; G586-K590 PolarHBondContact O-N 2.78Å; W587-K590 PolarHBondContact O-N 3.33Å; K590-I634 VanDerWaalsContact O-CD1 3.3Å; K590-I634 WeakPolarHBondContact O-CD1 3.4Å |
| 591 | N | 79.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -79.5 | -28.1 | -175.9 | -166.9 | 37.3 | 0 | 0 | 0 | 113.3 | F466 L527 C531 W587 T633 I634 S635 | F466-N591 HydrophobicContact CE1-CB 4.35Å; F466-N591 HydrophobicContact CE2-CB 4.46Å; F466-N591 HydrophobicContact CZ-CB 4.14Å; F466-N591 WeakPolarHBondContact CZ-OD1 3.37Å; L527-N591 HydrophobicContact CD2-CB 4.07Å; L527-N591 HydrophobicContact CG-CB 4.41Å; C531-N591 PolarHBondContact SG-ND2 2.75Å; W587-N591 VanDerWaalsContact O-CB 3.25Å; W587-N591 WeakPolarHBondContact O-CB 2.99Å; W587-N591 PolarHBondContact O-N 3Å; N591-T633 WeakPolarHBondContact O-CA 3.41Å; N591-I634 PolarHBondContact O-N 2.86Å; N591-I634 VanDerWaalsContact O-N 3.08Å; N591-I634 PolarHBondContact OD1-N 3.31Å; N591-S635 PolarHBondContact ND2-OG 2.86Å; N591-S635 WeakPolarHBondContact OD1-CB 3.41Å; N591-S635 PolarHBondContact OD1-N 2.74Å; N591-S635 PolarHBondContact OD1-OG 3.14Å |
| 592 | K | 74.3 | Confident | 81.5 | Confident | 53 Ų | 53 | 37.4 Ų | 37.4 | 23% | 0.23 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -76.5 | -38.2 | 172.1 | -68.5 | 175.6 | -140.1 | -139.6 | 0 | 112.8 | C531 L588 P594 M631 | C531-K592 HydrophobicContact CB-CD 4.49Å; C531-K592 HydrophobicContact CB-CG 3.91Å; C531-K592 WeakPolarHBondContact O-CE 3.18Å; C531-K592 PolarHBondContact O-NZ 3.39Å; L588-K592 WeakPolarHBondContact O-CB 3.41Å; L588-K592 WeakPolarHBondContact O-CE 3.12Å; L588-K592 WeakPolarHBondContact O-CG 3.35Å; L588-K592 PolarHBondContact O-N 2.86Å; L588-K592 VanDerWaalsContact O-N 3.11Å; K592-P594 VanDerWaalsContact C-CD 3.4Å; K592-P594 VanDerWaalsContact C-N 3.29Å; K592-P594 VanDerWaalsContact O-N 3.17Å; K592-M631 HydrophobicContact CD-CE 3.92Å; K592-M631 HydrophobicContact CD-SD 3.96Å; K592-M631 HydrophobicContact CG-CE 4.39Å; K592-M631 HydrophobicContact CG-SD 3.86Å |
| 593 | D | 70.3 | Confident | 81.5 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | trans | 43.4 | 44.3 | -178.7 | -155 | 25.4 | 0 | 0 | 0 | 114.3 | K263 K422 E589 L595 I634 | K263-D593 IonicContact NZ-OD2 2.58Å; K263-D593 PolarHBondContact NZ-OD2 2.79Å; K422-D593 IonicContact NZ-OD1 2.74Å; K422-D593 PolarHBondContact NZ-OD1 2.95Å; E589-D593 PolarHBondContact O-N 3.38Å; D593-L595 PolarHBondContact O-N 3.35Å; D593-L595 VanDerWaalsContact O-N 3.15Å; D593-I634 HydrophobicContact CB-CD1 3.96Å; D593-I634 HydrophobicContact CB-CG1 4.35Å | ||
| 594 | P | 67.3 | Low | 81.4 | Confident | 74 Ų | 74 | 37.2 Ų | 37.2 | 48% | 0.481 | 21% | 0.211 | S | C | . | . | trans | -65.2 | 117.5 | -164.7 | 27.1 | -36 | 0 | 0 | 0 | 111.8 | Y415 K592 | Y415-P594 HydrophobicContact CE1-CG 3.86Å; K592-P594 VanDerWaalsContact C-CD 3.4Å; K592-P594 VanDerWaalsContact C-N 3.29Å; K592-P594 VanDerWaalsContact O-N 3.17Å | ||
| 595 | L | 74 | Confident | 81.3 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 23% | 0.225 | 25% | 0.245 | C | C | . | . | trans | -94.6 | 147.3 | 174.4 | -163.7 | 65.6 | 0 | 0 | 0 | 110 | A419 L420 D593 V600 F615 | A419-L595 HydrophobicContact CB-CD1 4.45Å; L420-L595 HydrophobicContact CB-CD1 4.46Å; L420-L595 HydrophobicContact CD1-CD1 4.48Å; D593-L595 PolarHBondContact O-N 3.35Å; D593-L595 VanDerWaalsContact O-N 3.15Å; L595-V600 HydrophobicContact CD2-CG2 3.47Å; L595-V600 VanDerWaalsContact CD2-CG2 3.47Å; L595-V600 HydrophobicContact CG-CG2 3.82Å; L595-F615 HydrophobicContact CD2-CE1 4.11Å | ||
| 596 | N | 75.2 | Confident | 81.6 | Confident | 30 Ų | 30 | 39.6 Ų | 39.6 | 16% | 0.16 | 22% | 0.221 | C | C | . | . | trans | -89.3 | 115.5 | -173.9 | 176.2 | -14.2 | 0 | 0 | 0 | 110.7 | S391 P395 S598 V599 V600 | S391-N596 PolarHBondContact O-ND2 3.4Å; P395-N596 WeakPolarHBondContact CB-ND2 3.3Å; P395-N596 WeakPolarHBondContact CB-OD1 3.2Å; N596-S598 PolarHBondContact O-N 3.37Å; N596-S598 VanDerWaalsContact O-N 3.13Å; N596-S598 WeakPolarHBondContact OD1-CB 3.39Å; N596-S598 PolarHBondContact OD1-N 2.82Å; N596-S598 VanDerWaalsContact OD1-N 3.13Å; N596-V599 HydrophobicContact CB-CB 4.35Å; N596-V599 HydrophobicContact CB-CG2 3.98Å; N596-V599 WeakPolarHBondContact O-CA 3.36Å; N596-V599 WeakPolarHBondContact O-CB 3.49Å; N596-V599 PolarHBondContact O-N 3.46Å; N596-V600 PolarHBondContact O-N 3.29Å | ||
| 597 | D | 77.6 | Confident | 82.1 | Confident | 116 Ų | 116 | 47.7 Ų | 47.7 | 62% | 0.62 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -55.1 | -33.6 | -176.4 | -61.1 | -35.8 | 0 | 0 | 0 | 113.8 | V599 V600 A601 | D597-V599 PolarHBondContact O-N 3.18Å; D597-V600 PolarHBondContact O-N 3.27Å; D597-A601 PolarHBondContact O-N 3.09Å |
| 598 | S | 83.4 | Confident | 82.2 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 15% | 0.154 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.4 | -26.3 | 175.5 | -65.2 | 0 | 0 | 0 | 0 | 112.7 | S391 K396 N596 L602 | S391-S598 PolarHBondContact OG-O 3.05Å; S391-S598 VanDerWaalsContact OG-O 3.09Å; K396-S598 PolarHBondContact N-OG 2.64Å; K396-S598 PolarHBondContact O-OG 3.37Å; K396-S598 VanDerWaalsContact O-OG 3.1Å; N596-S598 PolarHBondContact O-N 3.37Å; N596-S598 VanDerWaalsContact O-N 3.13Å; N596-S598 WeakPolarHBondContact OD1-CB 3.39Å; N596-S598 PolarHBondContact OD1-N 2.82Å; N596-S598 VanDerWaalsContact OD1-N 3.13Å; S598-L602 WeakPolarHBondContact O-CB 3.22Å |
| 599 | V | 85.5 | Confident | 82.5 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -84.3 | -37.4 | 173.9 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | F392 L420 N596 D597 L602 L603 | F392-V599 HydrophobicContact CD1-CG2 4.29Å; F392-V599 HydrophobicContact CE1-CG2 4.24Å; L420-V599 HydrophobicContact CD1-CG1 4.04Å; L420-V599 HydrophobicContact CD2-CG1 3.96Å; L420-V599 HydrophobicContact CG-CG1 4.49Å; N596-V599 HydrophobicContact CB-CB 4.35Å; N596-V599 HydrophobicContact CB-CG2 3.98Å; N596-V599 WeakPolarHBondContact O-CA 3.36Å; N596-V599 WeakPolarHBondContact O-CB 3.49Å; N596-V599 PolarHBondContact O-N 3.46Å; D597-V599 PolarHBondContact O-N 3.18Å; V599-L602 PolarHBondContact O-N 3.44Å; V599-L603 HydrophobicContact CG1-CD1 3.8Å; V599-L603 HydrophobicContact CG1-CG 4.46Å; V599-L603 WeakPolarHBondContact O-CG 3.19Å; V599-L603 PolarHBondContact O-N 2.8Å; V599-L603 VanDerWaalsContact O-N 3.07Å |
| 600 | V | 84.4 | Confident | 83.2 | Confident | 26 Ų | 26 | 47.2 Ų | 47.2 | 16% | 0.158 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -50.9 | 176.5 | 179.6 | 0 | 0 | 0 | 0 | 111 | L595 N596 D597 L602 L603 G604 | L595-V600 HydrophobicContact CD2-CG2 3.47Å; L595-V600 VanDerWaalsContact CD2-CG2 3.47Å; L595-V600 HydrophobicContact CG-CG2 3.82Å; N596-V600 PolarHBondContact O-N 3.29Å; D597-V600 PolarHBondContact O-N 3.27Å; V600-L602 VanDerWaalsContact C-N 3.35Å; V600-L602 PolarHBondContact O-N 3.37Å; V600-L603 PolarHBondContact O-N 3.07Å; V600-G604 PolarHBondContact O-N 2.97Å |
| 601 | A | 84.6 | Confident | 83.9 | Confident | 49 Ų | 49 | 44 Ų | 44 | 41% | 0.405 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.6 | -44.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | D597 L603 G604 D605 | D597-A601 PolarHBondContact O-N 3.09Å; A601-L603 VanDerWaalsContact C-N 3.28Å; A601-L603 PolarHBondContact O-N 3.37Å; A601-G604 PolarHBondContact O-N 3.4Å; A601-D605 PolarHBondContact O-N 3.33Å; A601-D605 VanDerWaalsContact O-N 3.1Å |
| 602 | L | 89.1 | Confident | 84.4 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -33.4 | 178.3 | 179.9 | 64.6 | 0 | 0 | 0 | 113.3 | V383 D387 L388 S598 V599 V600 | V383-L602 HydrophobicContact CB-CD1 4.43Å; V383-L602 HydrophobicContact CB-CG 4.29Å; V383-L602 HydrophobicContact CG1-CG 4.23Å; V383-L602 VanDerWaalsContact CG1-O 3.3Å; V383-L602 WeakPolarHBondContact CG1-O 3.37Å; D387-L602 HydrophobicContact CB-CD1 4.11Å; D387-L602 HydrophobicContact CB-CD2 4.26Å; L388-L602 HydrophobicContact CB-CD2 4.07Å; L388-L602 HydrophobicContact CD1-CD2 4.37Å; S598-L602 WeakPolarHBondContact O-CB 3.22Å; V599-L602 PolarHBondContact O-N 3.44Å; V600-L602 VanDerWaalsContact C-N 3.35Å; V600-L602 PolarHBondContact O-N 3.37Å |
| 603 | L | 90.9 | Very high | 85.1 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -84.3 | -29.5 | 177.6 | -68.1 | 167.9 | 0 | 0 | 0 | 112.7 | L381 V383 L420 V599 V600 A601 D605 S606 V611 F615 | L381-L603 HydrophobicContact CB-CD2 4.2Å; L381-L603 HydrophobicContact CD1-CD2 4.09Å; V383-L603 HydrophobicContact CG1-CD2 4.03Å; L420-L603 HydrophobicContact CD1-CD1 3.48Å; L420-L603 VanDerWaalsContact CD1-CD1 3.48Å; L420-L603 HydrophobicContact CD2-CD1 4.33Å; V599-L603 HydrophobicContact CG1-CD1 3.8Å; V599-L603 HydrophobicContact CG1-CG 4.46Å; V599-L603 WeakPolarHBondContact O-CG 3.19Å; V599-L603 PolarHBondContact O-N 2.8Å; V599-L603 VanDerWaalsContact O-N 3.07Å; V600-L603 PolarHBondContact O-N 3.07Å; A601-L603 VanDerWaalsContact C-N 3.28Å; A601-L603 PolarHBondContact O-N 3.37Å; L603-D605 VanDerWaalsContact C-N 3.31Å; L603-S606 WeakPolarHBondContact O-CB 3.39Å; L603-S606 PolarHBondContact O-N 3.38Å; L603-S606 VanDerWaalsContact O-N 3.14Å; L603-V611 HydrophobicContact CB-CG1 4.15Å; L603-V611 HydrophobicContact CD2-CG1 3.75Å; L603-F615 HydrophobicContact CB-CB 3.59Å; L603-F615 HydrophobicContact CB-CD1 4.2Å; L603-F615 HydrophobicContact CB-CD2 3.86Å; L603-F615 HydrophobicContact CB-CG 3.61Å; L603-F615 HydrophobicContact CD1-CD1 4.07Å; L603-F615 HydrophobicContact CD1-CD2 4.11Å; L603-F615 HydrophobicContact CD1-CE1 4.03Å; L603-F615 HydrophobicContact CD1-CE2 4.08Å; L603-F615 HydrophobicContact CD1-CG 4.11Å; L603-F615 HydrophobicContact CD1-CZ 4.03Å |
| 604 | G | 88.3 | Confident | 86 | Confident | 4 Ų | 4 | 48 Ų | 48 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.3 | -41 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V600 A601 S606 S612 F615 | V600-G604 PolarHBondContact O-N 2.97Å; A601-G604 PolarHBondContact O-N 3.4Å; G604-S606 PolarHBondContact O-N 2.93Å; G604-S612 WeakPolarHBondContact O-CB 3.49Å; G604-S612 PolarHBondContact O-OG 3.01Å; G604-F615 VanDerWaalsContact CA-O 3.26Å; G604-F615 WeakPolarHBondContact CA-O 3.34Å |
| 605 | D | 88.9 | Confident | 87 | Confident | 136 Ų | 136 | 44.5 Ų | 44.5 | 73% | 0.727 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 16.9 | 174.2 | -68.1 | -21.1 | 0 | 0 | 0 | 113.6 | A601 L603 | A601-D605 PolarHBondContact O-N 3.33Å; A601-D605 VanDerWaalsContact O-N 3.1Å; L603-D605 VanDerWaalsContact C-N 3.31Å |
| 606 | S | 92 | Very high | 87 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | trans | -64.5 | 146 | 179.6 | 176.6 | 0 | 0 | 0 | 0 | 113 | L381 L603 G604 D608 | L381-S606 PolarHBondContact O-OG 2.88Å; L603-S606 WeakPolarHBondContact O-CB 3.39Å; L603-S606 PolarHBondContact O-N 3.38Å; L603-S606 VanDerWaalsContact O-N 3.14Å; G604-S606 PolarHBondContact O-N 2.93Å; S606-D608 VanDerWaalsContact C-N 3.25Å; S606-D608 PolarHBondContact O-N 2.86Å; S606-D608 PolarHBondContact OG-N 3.17Å | ||
| 607 | K | 91.9 | Very high | 86.1 | Confident | 188 Ų | 188 | 47.7 Ų | 47.7 | 82% | 0.817 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -73.9 | -13.3 | 170.8 | -62.9 | -179.4 | -179.2 | 178.1 | 0 | 113.9 | G382 | G382-K607 WeakPolarHBondContact O-CB 3.23Å; G382-K607 PolarHBondContact O-N 2.99Å; G382-K607 VanDerWaalsContact O-N 3.15Å |
| 608 | D | 90.6 | Very high | 84.9 | Confident | 10 Ų | 10 | 47.5 Ų | 47.5 | 5% | 0.053 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -88.2 | 118.3 | 174 | -170.5 | -74 | 0 | 0 | 0 | 109.7 | S341 K344 S606 L610 V611 S612 | S341-D608 PolarHBondContact OG-OD2 3.49Å; K344-D608 IonicContact NZ-OD2 2.62Å; K344-D608 PolarHBondContact NZ-OD2 3.47Å; S606-D608 VanDerWaalsContact C-N 3.25Å; S606-D608 PolarHBondContact O-N 2.86Å; S606-D608 PolarHBondContact OG-N 3.17Å; D608-L610 PolarHBondContact O-N 3.36Å; D608-L610 WeakPolarHBondContact OD1-CB 3.27Å; D608-L610 PolarHBondContact OD1-N 2.87Å; D608-V611 HydrophobicContact CB-CB 4.08Å; D608-V611 HydrophobicContact CB-CG2 3.86Å; D608-V611 PolarHBondContact O-N 2.9Å; D608-V611 VanDerWaalsContact O-N 3.14Å; D608-V611 PolarHBondContact OD1-N 3.22Å; D608-S612 PolarHBondContact O-N 2.7Å |
| 609 | P | 89.9 | Confident | 82.9 | Confident | 93 Ų | 93 | 51.7 Ų | 51.7 | 60% | 0.604 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62 | -27 | -174.8 | -25.1 | 35.1 | 0 | 0 | 0 | 113.9 | N613 | P609-N613 WeakPolarHBondContact O-CB 3.24Å; P609-N613 PolarHBondContact O-N 3.44Å; P609-N613 PolarHBondContact O-ND2 2.68Å |
| 610 | L | 91.3 | Very high | 80.5 | Confident | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.2 | -51.6 | 174.4 | 178 | 59.3 | 0 | 0 | 0 | 109.4 | L342 W431 D608 S612 N613 L614 | L342-L610 HydrophobicContact CD2-CD2 4.08Å; L342-L610 HydrophobicContact CG-CD2 4.16Å; W431-L610 HydrophobicContact CD2-CD1 3.44Å; W431-L610 VanDerWaalsContact CD2-CD1 3.44Å; W431-L610 VanDerWaalsContact CE2-CD1 3.49Å; W431-L610 HydrophobicContact CE3-CD1 3.75Å; W431-L610 HydrophobicContact CG-CD1 3.87Å; W431-L610 HydrophobicContact CH2-CD1 4.16Å; W431-L610 HydrophobicContact CZ2-CD1 3.88Å; W431-L610 HydrophobicContact CZ3-CD1 4.09Å; D608-L610 PolarHBondContact O-N 3.36Å; D608-L610 WeakPolarHBondContact OD1-CB 3.27Å; D608-L610 PolarHBondContact OD1-N 2.87Å; L610-S612 VanDerWaalsContact C-N 3.33Å; L610-S612 PolarHBondContact O-N 2.62Å; L610-N613 PolarHBondContact O-N 3Å; L610-N613 VanDerWaalsContact O-N 3.13Å; L610-L614 HydrophobicContact CD1-CD1 4.41Å; L610-L614 HydrophobicContact CD1-CD2 4.11Å; L610-L614 HydrophobicContact CD1-CG 4.04Å; L610-L614 HydrophobicContact CG-CD1 4.21Å; L610-L614 HydrophobicContact CG-CG 4.22Å; L610-L614 WeakPolarHBondContact O-CG 3.35Å; L610-L614 PolarHBondContact O-N 2.67Å |
| 611 | V | 92.2 | Very high | 77.9 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.1 | -44.1 | -178.5 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | L381 L603 D608 N613 L614 F615 | L381-V611 HydrophobicContact CD2-CG1 4.48Å; L381-V611 HydrophobicContact CD2-CG2 3.89Å; L603-V611 HydrophobicContact CB-CG1 4.15Å; L603-V611 HydrophobicContact CD2-CG1 3.75Å; D608-V611 HydrophobicContact CB-CB 4.08Å; D608-V611 HydrophobicContact CB-CG2 3.86Å; D608-V611 PolarHBondContact O-N 2.9Å; D608-V611 VanDerWaalsContact O-N 3.14Å; D608-V611 PolarHBondContact OD1-N 3.22Å; V611-N613 PolarHBondContact O-N 2.84Å; V611-L614 PolarHBondContact O-N 3.42Å; V611-L614 VanDerWaalsContact O-N 3.16Å; V611-F615 HydrophobicContact CG1-CD2 4.29Å; V611-F615 PolarHBondContact O-N 2.81Å |
| 612 | S | 90.8 | Very high | 75.2 | Confident | 40 Ų | 40 | 65.7 Ų | 65.7 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 175 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | G604 D608 L610 L614 F615 T616 | G604-S612 WeakPolarHBondContact O-CB 3.49Å; G604-S612 PolarHBondContact O-OG 3.01Å; D608-S612 PolarHBondContact O-N 2.7Å; L610-S612 VanDerWaalsContact C-N 3.33Å; L610-S612 PolarHBondContact O-N 2.62Å; S612-L614 VanDerWaalsContact C-N 3.33Å; S612-L614 PolarHBondContact O-N 3.46Å; S612-F615 CarbonylContact O-C 3.55Å; S612-F615 PolarHBondContact O-N 3.03Å; S612-T616 PolarHBondContact O-N 2.85Å; S612-T616 PolarHBondContact O-OG1 3.46Å |
| 613 | N | 88.9 | Confident | 72.4 | Confident | 107 Ų | 107 | 67.3 Ų | 67.3 | 57% | 0.572 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.9 | -31.2 | 175.3 | -81.2 | -67.2 | 0 | 0 | 0 | 113.7 | P609 L610 V611 F615 T616 | P609-N613 WeakPolarHBondContact O-CB 3.24Å; P609-N613 PolarHBondContact O-N 3.44Å; P609-N613 PolarHBondContact O-ND2 2.68Å; L610-N613 PolarHBondContact O-N 3Å; L610-N613 VanDerWaalsContact O-N 3.13Å; V611-N613 PolarHBondContact O-N 2.84Å; N613-F615 VanDerWaalsContact C-N 3.35Å; N613-T616 PolarHBondContact O-OG1 3.38Å |
| 614 | L | 90.1 | Very high | 69.8 | Low | 13 Ų | 13 | 75.3 Ų | 75.3 | 7% | 0.068 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -71.2 | -31.7 | 176.2 | -67.8 | -172 | 0 | 0 | 0 | 111.9 | L424 R427 M428 W431 L610 V611 S612 | L424-L614 HydrophobicContact CD1-CD1 4.07Å; R427-L614 HydrophobicContact CB-CB 4.23Å; R427-L614 HydrophobicContact CB-CD2 4.19Å; R427-L614 WeakPolarHBondContact CD-O 3.42Å; R427-L614 PolarHBondContact NH1-O 3.26Å; R427-L614 WeakPolarHBondContact O-CD2 3.22Å; M428-L614 HydrophobicContact CB-CD1 4.01Å; W431-L614 HydrophobicContact CB-CD2 3.53Å; W431-L614 HydrophobicContact CG-CD2 3.99Å; L610-L614 HydrophobicContact CD1-CD1 4.41Å; L610-L614 HydrophobicContact CD1-CD2 4.11Å; L610-L614 HydrophobicContact CD1-CG 4.04Å; L610-L614 HydrophobicContact CG-CD1 4.21Å; L610-L614 HydrophobicContact CG-CG 4.22Å; L610-L614 WeakPolarHBondContact O-CG 3.35Å; L610-L614 PolarHBondContact O-N 2.67Å; V611-L614 PolarHBondContact O-N 3.42Å; V611-L614 VanDerWaalsContact O-N 3.16Å; S612-L614 VanDerWaalsContact C-N 3.33Å; S612-L614 PolarHBondContact O-N 3.46Å |
| 615 | F | 87.5 | Confident | 67.2 | Low | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -117.9 | 24.7 | -175 | -69.6 | -88.1 | 0 | 0 | 0 | 113.8 | L420 L424 L595 L603 G604 V611 S612 N613 P617 | L420-F615 HydrophobicContact CD1-CE1 4.17Å; L420-F615 HydrophobicContact CD1-CZ 3.97Å; L424-F615 HydrophobicContact CB-CE2 4.44Å; L424-F615 HydrophobicContact CB-CZ 4.19Å; L424-F615 HydrophobicContact CD1-CE2 3.82Å; L424-F615 HydrophobicContact CD1-CZ 4.41Å; L595-F615 HydrophobicContact CD2-CE1 4.11Å; L603-F615 HydrophobicContact CB-CB 3.59Å; L603-F615 HydrophobicContact CB-CD1 4.2Å; L603-F615 HydrophobicContact CB-CD2 3.86Å; L603-F615 HydrophobicContact CB-CG 3.61Å; L603-F615 HydrophobicContact CD1-CD1 4.07Å; L603-F615 HydrophobicContact CD1-CD2 4.11Å; L603-F615 HydrophobicContact CD1-CE1 4.03Å; L603-F615 HydrophobicContact CD1-CE2 4.08Å; L603-F615 HydrophobicContact CD1-CG 4.11Å; L603-F615 HydrophobicContact CD1-CZ 4.03Å; G604-F615 VanDerWaalsContact CA-O 3.26Å; G604-F615 WeakPolarHBondContact CA-O 3.34Å; V611-F615 HydrophobicContact CG1-CD2 4.29Å; V611-F615 PolarHBondContact O-N 2.81Å; S612-F615 CarbonylContact O-C 3.55Å; S612-F615 PolarHBondContact O-N 3.03Å; N613-F615 VanDerWaalsContact C-N 3.35Å; F615-P617 VanDerWaalsContact O-N 3.1Å |
| 616 | T | 73.8 | Confident | 64.6 | Low | 80 Ų | 80 | 85.1 Ų | 85.1 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | trans | -42.5 | 119.4 | 174.3 | -52.8 | 0 | 0 | 0 | 0 | 109.9 | S612 N613 | S612-T616 PolarHBondContact O-N 2.85Å; S612-T616 PolarHBondContact O-OG1 3.46Å; N613-T616 PolarHBondContact O-OG1 3.38Å | ||
| 617 | P | 57.1 | Low | 61.6 | Low | 59 Ų | 59 | 93.8 Ų | 93.8 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | trans | -62 | 142.7 | -178.7 | 25.9 | -33.4 | 0 | 0 | 0 | 109 | F615 V619 | F615-P617 VanDerWaalsContact O-N 3.1Å; P617-V619 PolarHBondContact O-N 3.49Å | ||
| 618 | V | 52.1 | Low | 58.8 | Low | 113 Ų | 113 | 87.5 Ų | 87.5 | 69% | 0.685 | 49% | 0.485 | S | S | * | . | trans | -74.1 | 85 | 175.6 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 619 | V | 40.9 | Very low | 56.3 | Low | 110 Ų | 110 | 91.2 Ų | 91.2 | 67% | 0.667 | 53% | 0.526 | S | S | * | . | trans | -62.1 | 131.6 | 163.9 | -174.9 | 0 | 0 | 0 | 0 | 107.1 | P617 E621 | P617-V619 PolarHBondContact O-N 3.49Å; V619-E621 PolarHBondContact O-N 2.96Å | ||
| 620 | D | 34.4 | Very low | 54.1 | Low | 155 Ų | 155 | 91.4 Ų | 91.4 | 83% | 0.829 | 54% | 0.535 | S | S | * | . | trans | -71.6 | 76.1 | -179.7 | -90.2 | -52.9 | 0 | 0 | 0 | 111.4 | G622 | D620-G622 PolarHBondContact O-N 3.48Š| ||
| 621 | E | 30.4 | Very low | 52.3 | Low | 171 Ų | 171 | 94.7 Ų | 94.7 | 80% | 0.799 | 55% | 0.551 | S | S | * | * | trans | -70.1 | 78 | 164.4 | -73.1 | -163.2 | 162.1 | 0 | 0 | 110.7 | V619 | V619-E621 PolarHBondContact O-N 2.96Š| ||
| 622 | G | 27.3 | Very low | 50.8 | Low | 44 Ų | 44 | 100.7 Ų | 100.7 | 45% | 0.454 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 50 | 76.9 | 155 | 0 | 0 | 0 | 0 | 0 | 116.5 | D620 K624 | D620-G622 PolarHBondContact O-N 3.48Å; G622-K624 PolarHBondContact O-N 2.92Å |
| 623 | G | 31.3 | Very low | 49.9 | Very low | 68 Ų | 68 | 99.1 Ų | 99.1 | 70% | 0.701 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.5 | 3.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | R625 | G623-R625 VanDerWaalsContact C-N 3.33Å; G623-R625 PolarHBondContact O-N 3.18Å |
| 624 | K | 36.3 | Very low | 49.4 | Very low | 169 Ų | 169 | 95.8 Ų | 95.8 | 74% | 0.735 | 55% | 0.55 | S | S | * | . | trans | -82.5 | 6.7 | -169.3 | -81.8 | 163.3 | -174.5 | 159.5 | 0 | 116.6 | G622 | G622-K624 PolarHBondContact O-N 2.92Š| ||
| 625 | R | 34.1 | Very low | 48.9 | Very low | 194 Ų | 194 | 95.2 Ų | 95.2 | 73% | 0.732 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -125.5 | 137.3 | 168 | -73.1 | -176.6 | 171.6 | 172.8 | -2.1 | 110.6 | G623 | G623-R625 VanDerWaalsContact C-N 3.33Å; G623-R625 PolarHBondContact O-N 3.18Å |
| 626 | K | 34.5 | Very low | 48.4 | Very low | 151 Ų | 151 | 96.5 Ų | 96.5 | 66% | 0.657 | 56% | 0.557 | S | S | * | * | trans | -55.4 | 138.7 | -179.6 | -73.7 | -174.5 | 172.4 | -174.3 | 0 | 110.1 | G628 E1610 | K626-G628 PolarHBondContact O-N 3.36Å; K626-E1610 IonicContact NZ-OE2 2.55Å; K626-E1610 PolarHBondContact NZ-OE2 2.77Å | ||
| 627 | K | 28 | Very low | 48.5 | Very low | 195 Ų | 195 | 96 Ų | 96 | 85% | 0.848 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -61.7 | 91.2 | -177.9 | -79.1 | -175.6 | 173.2 | 179.6 | 0 | 111.1 | ||
| 628 | G | 32.4 | Very low | 49.6 | Very low | 55 Ų | 55 | 93.5 Ų | 93.5 | 57% | 0.567 | 54% | 0.537 | S | S | * | . | trans | -179.6 | 24.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K626 A630 | K626-G628 PolarHBondContact O-N 3.36Å; G628-A630 PolarHBondContact O-N 3.21Å | ||
| 629 | G | 38.3 | Very low | 51 | Low | 89 Ų | 89 | 90.8 Ų | 90.8 | 92% | 0.918 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 13.4 | -171 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 630 | A | 44 | Very low | 52.8 | Low | 97 Ų | 97 | 91.8 Ų | 91.8 | 80% | 0.802 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -31.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G628 | G628-A630 PolarHBondContact O-N 3.21Š|
| 631 | M | 53.7 | Low | 54.9 | Low | 79 Ų | 79 | 85.7 Ų | 85.7 | 39% | 0.389 | 48% | 0.482 | S | S | . | . | trans | -151.7 | 88.3 | -180 | -65.7 | -170.4 | -169.9 | 0 | 0 | 112.4 | C531 K592 T633 | C531-M631 HydrophobicContact CB-SD 4.41Å; K592-M631 HydrophobicContact CD-CE 3.92Å; K592-M631 HydrophobicContact CD-SD 3.96Å; K592-M631 HydrophobicContact CG-CE 4.39Å; K592-M631 HydrophobicContact CG-SD 3.86Å; M631-T633 PolarHBondContact O-N 2.99Å | ||
| 632 | Q | 60.8 | Low | 57.5 | Low | 126 Ų | 126 | 77.7 Ų | 77.7 | 59% | 0.589 | 44% | 0.444 | S | S | * | . | trans | -85.3 | 103.8 | 157 | -172.8 | 176 | 11.4 | 0 | 0 | 107.7 | V637 | Q632-V637 HydrophobicContact CG-CG2 3.84Š| ||
| 633 | T | 72.3 | Confident | 60.2 | Low | 7 Ų | 7 | 78.8 Ų | 78.8 | 4% | 0.043 | 44% | 0.439 | C | S | . | . | trans | -71.8 | 156.6 | -174 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | C531 N591 M631 S635 A636 V637 | C531-T633 HydrophobicContact CB-CG2 3.87Å; N591-T633 WeakPolarHBondContact O-CA 3.41Å; M631-T633 PolarHBondContact O-N 2.99Å; T633-S635 VanDerWaalsContact C-N 3.31Å; T633-S635 PolarHBondContact O-N 2.85Å; T633-S635 PolarHBondContact OG1-OG 3.32Å; T633-A636 PolarHBondContact O-N 3.14Å; T633-A636 VanDerWaalsContact OG1-CB 3.31Å; T633-A636 WeakPolarHBondContact OG1-CB 3.4Å; T633-A636 PolarHBondContact OG1-N 2.79Å; T633-V637 WeakPolarHBondContact O-CG2 3.48Å; T633-V637 PolarHBondContact O-N 2.96Å | ||
| 634 | I | 77.3 | Confident | 62.6 | Low | 37 Ų | 37 | 80.1 Ų | 80.1 | 19% | 0.19 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.6 | -40 | 175.7 | -61.1 | -170.4 | 0 | 0 | 0 | 111.2 | F466 K590 N591 D593 A636 V637 H638 | F466-I634 HydrophobicContact CE1-CB 4.01Å; F466-I634 HydrophobicContact CE1-CG2 3.92Å; F466-I634 HydrophobicContact CZ-CB 4.32Å; F466-I634 HydrophobicContact CZ-CG2 4.36Å; K590-I634 VanDerWaalsContact O-CD1 3.3Å; K590-I634 WeakPolarHBondContact O-CD1 3.4Å; N591-I634 PolarHBondContact O-N 2.86Å; N591-I634 VanDerWaalsContact O-N 3.08Å; N591-I634 PolarHBondContact OD1-N 3.31Å; D593-I634 HydrophobicContact CB-CD1 3.96Å; D593-I634 HydrophobicContact CB-CG1 4.35Å; I634-A636 PolarHBondContact O-N 2.98Å; I634-V637 PolarHBondContact O-N 2.81Å; I634-H638 WeakPolarHBondContact O-CB 3.43Å; I634-H638 PolarHBondContact O-N 2.67Å |
| 635 | S | 79.9 | Confident | 64.9 | Low | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -55.8 | -45.8 | 174.9 | 38.4 | 0 | 0 | 0 | 0 | 113 | E528 N591 T633 H638 R639 | E528-S635 VanDerWaalsContact CG-OG 3.26Å; E528-S635 WeakPolarHBondContact CG-OG 3.22Å; E528-S635 PolarHBondContact OE1-OG 3.18Å; N591-S635 PolarHBondContact ND2-OG 2.86Å; N591-S635 WeakPolarHBondContact OD1-CB 3.41Å; N591-S635 PolarHBondContact OD1-N 2.74Å; N591-S635 PolarHBondContact OD1-OG 3.14Å; T633-S635 VanDerWaalsContact C-N 3.31Å; T633-S635 PolarHBondContact O-N 2.85Å; T633-S635 PolarHBondContact OG1-OG 3.32Å; S635-H638 PolarHBondContact O-N 2.81Å; S635-R639 WeakPolarHBondContact O-CB 3.15Å; S635-R639 PolarHBondContact O-N 2.95Å |
| 636 | A | 77.8 | Confident | 67.5 | Low | 27 Ų | 27 | 63.7 Ų | 63.7 | 22% | 0.223 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E528 T633 I634 H638 R639 E640 | E528-A636 WeakPolarHBondContact OE1-CA 3.31Å; E528-A636 PolarHBondContact OE1-N 2.83Å; T633-A636 PolarHBondContact O-N 3.14Å; T633-A636 VanDerWaalsContact OG1-CB 3.31Å; T633-A636 WeakPolarHBondContact OG1-CB 3.4Å; T633-A636 PolarHBondContact OG1-N 2.79Å; I634-A636 PolarHBondContact O-N 2.98Å; A636-H638 PolarHBondContact O-N 2.84Å; A636-R639 PolarHBondContact O-N 3.27Å; A636-E640 WeakPolarHBondContact O-CB 3.49Å; A636-E640 PolarHBondContact O-N 3.13Å |
| 637 | V | 76.6 | Confident | 69.8 | Low | 69 Ų | 69 | 63.7 Ų | 63.7 | 42% | 0.418 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 175.4 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | Q632 T633 I634 S641 | Q632-V637 HydrophobicContact CG-CG2 3.84Å; T633-V637 WeakPolarHBondContact O-CG2 3.48Å; T633-V637 PolarHBondContact O-N 2.96Å; I634-V637 PolarHBondContact O-N 2.81Å; V637-S641 WeakPolarHBondContact O-CB 3.13Å; V637-S641 PolarHBondContact O-N 3.35Å; V637-S641 PolarHBondContact O-OG 3.27Å |
| 638 | H | 79.3 | Confident | 72.5 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 3% | 0.032 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -49.7 | 177.6 | -175.7 | 44.6 | 0 | 0 | 0 | 110.9 | C470 T474 I634 S635 A636 E640 S641 L642 | C470-H638 PolarHBondContact O-NE2 3.43Å; C470-H638 VanDerWaalsContact O-NE2 3.08Å; T474-H638 PolarHBondContact OG1-CE1 3.16Å; T474-H638 PolarHBondContact OG1-NE2 3.17Å; I634-H638 WeakPolarHBondContact O-CB 3.43Å; I634-H638 PolarHBondContact O-N 2.67Å; S635-H638 PolarHBondContact O-N 2.81Å; A636-H638 PolarHBondContact O-N 2.84Å; H638-E640 PolarHBondContact O-N 3.31Å; H638-S641 PolarHBondContact O-N 3.06Å; H638-S641 PolarHBondContact O-OG 3.24Å; H638-L642 WeakPolarHBondContact O-CB 3.14Å; H638-L642 PolarHBondContact O-N 3.45Å |
| 639 | R | 81.6 | Confident | 75.1 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 21% | 0.211 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 177.1 | -179.8 | 166.2 | 58.3 | 158.2 | -2.5 | 112.6 | E518 E528 S635 A636 N643 | E518-R639 PolarHBondContact O-NH1 2.64Å; E518-R639 VanDerWaalsContact O-NH1 3.1Å; E528-R639 VanDerWaalsContact CD-NH2 3.32Å; E528-R639 IonicContact OE1-CZ 3.66Å; E528-R639 IonicContact OE1-NE 3.57Å; E528-R639 IonicContact OE1-NH2 2.71Å; E528-R639 PolarHBondContact OE1-NH2 3.41Å; E528-R639 IonicContact OE2-CZ 2.69Å; E528-R639 IonicContact OE2-NH2 2.62Å; E528-R639 PolarHBondContact OE2-NH2 2.74Å; S635-R639 WeakPolarHBondContact O-CB 3.15Å; S635-R639 PolarHBondContact O-N 2.95Å; A636-R639 PolarHBondContact O-N 3.27Å; R639-N643 WeakPolarHBondContact O-CB 3.45Å; R639-N643 VanDerWaalsContact O-CG 3.26Å; R639-N643 PolarHBondContact O-N 2.67Å; R639-N643 PolarHBondContact O-ND2 3.49Å |
| 640 | E | 78.1 | Confident | 77.3 | Confident | 132 Ų | 132 | 55 Ų | 55 | 62% | 0.617 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62 | -46.9 | 174.4 | -173.7 | -178.2 | 179.9 | 0 | 0 | 111.4 | A636 H638 L642 N643 K644 | A636-E640 WeakPolarHBondContact O-CB 3.49Å; A636-E640 PolarHBondContact O-N 3.13Å; H638-E640 PolarHBondContact O-N 3.31Å; E640-L642 PolarHBondContact O-N 2.75Å; E640-N643 PolarHBondContact O-N 2.87Å; E640-K644 PolarHBondContact O-N 2.81Å |
| 641 | S | 78.5 | Confident | 79.2 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -43.3 | 179.3 | 79.6 | 0 | 0 | 0 | 0 | 111.9 | Y259 V637 H638 K644 L645 | Y259-S641 VanDerWaalsContact CE1-O 3.25Å; Y259-S641 WeakPolarHBondContact CE1-O 3.06Å; V637-S641 WeakPolarHBondContact O-CB 3.13Å; V637-S641 PolarHBondContact O-N 3.35Å; V637-S641 PolarHBondContact O-OG 3.27Å; H638-S641 PolarHBondContact O-N 3.06Å; H638-S641 PolarHBondContact O-OG 3.24Å; S641-K644 WeakPolarHBondContact O-CB 3.13Å; S641-K644 PolarHBondContact O-N 2.84Å; S641-L645 PolarHBondContact O-N 2.66Å |
| 642 | L | 84.5 | Confident | 80.9 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 178.1 | -178.2 | 49.7 | 0 | 0 | 0 | 111.2 | Y473 T474 R477 H638 E640 K644 L645 M646 | Y473-L642 HydrophobicContact CD1-CD2 4.12Å; Y473-L642 HydrophobicContact CE1-CD2 3.66Å; T474-L642 HydrophobicContact CG2-CD1 3.68Å; T474-L642 HydrophobicContact CG2-CD2 3.93Å; T474-L642 HydrophobicContact CG2-CG 4.44Å; R477-L642 HydrophobicContact CB-CD2 4.18Å; R477-L642 HydrophobicContact CG-CD2 3.93Å; H638-L642 WeakPolarHBondContact O-CB 3.14Å; H638-L642 PolarHBondContact O-N 3.45Å; E640-L642 PolarHBondContact O-N 2.75Å; L642-K644 VanDerWaalsContact C-N 3.26Å; L642-K644 PolarHBondContact O-N 2.74Å; L642-L645 HydrophobicContact CD1-CB 4.47Å; L642-L645 HydrophobicContact CD1-CD2 4.26Å; L642-L645 CarbonylContact O-C 3.57Å; L642-L645 WeakPolarHBondContact O-CB 3.12Å; L642-L645 PolarHBondContact O-N 2.66Å; L642-M646 HydrophobicContact CD1-CG 3.98Å; L642-M646 HydrophobicContact CD1-SD 3.76Å; L642-M646 HydrophobicContact CG-CG 4.29Å; L642-M646 VanDerWaalsContact O-CG 3.32Å; L642-M646 WeakPolarHBondContact O-CG 2.99Å; L642-M646 PolarHBondContact O-N 2.64Å |
| 643 | N | 84.9 | Confident | 82.1 | Confident | 67 Ų | 67 | 46.9 Ų | 46.9 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.8 | -35 | 175.1 | -74.3 | -19.2 | 0 | 0 | 0 | 112.2 | R477 R639 E640 K647 | R477-N643 PolarHBondContact NH2-OD1 2.65Å; R639-N643 WeakPolarHBondContact O-CB 3.45Å; R639-N643 VanDerWaalsContact O-CG 3.26Å; R639-N643 PolarHBondContact O-N 2.67Å; R639-N643 PolarHBondContact O-ND2 3.49Å; E640-N643 PolarHBondContact O-N 2.87Å; N643-K647 VanDerWaalsContact O-CB 3.31Å; N643-K647 WeakPolarHBondContact O-CB 3.13Å; N643-K647 PolarHBondContact O-N 2.97Å |
| 644 | K | 82.3 | Confident | 83 | Confident | 97 Ų | 97 | 47.9 Ų | 47.9 | 42% | 0.422 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 170.4 | 177.5 | 171.9 | 173.6 | -86.2 | 0 | 112.3 | E257 E640 S641 L642 N648 | E257-K644 IonicContact OE1-NZ 3.28Å; E257-K644 PolarHBondContact OE1-NZ 2.97Å; E257-K644 IonicContact OE2-NZ 2.71Å; E257-K644 PolarHBondContact OE2-NZ 3.15Å; E640-K644 PolarHBondContact O-N 2.81Å; S641-K644 WeakPolarHBondContact O-CB 3.13Å; S641-K644 PolarHBondContact O-N 2.84Å; L642-K644 VanDerWaalsContact C-N 3.26Å; L642-K644 PolarHBondContact O-N 2.74Å; K644-N648 VanDerWaalsContact O-CG 3.23Å; K644-N648 PolarHBondContact O-N 3.42Å; K644-N648 PolarHBondContact O-ND2 2.68Å |
| 645 | L | 85 | Confident | 83.5 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -49.6 | 175.2 | 178.3 | 59.7 | 0 | 0 | 0 | 111.6 | F240 Y259 L453 S641 L642 K647 N648 L649 | F240-L645 HydrophobicContact CB-CD1 4.12Å; F240-L645 HydrophobicContact CD1-CD1 4.26Å; F240-L645 HydrophobicContact CD2-CD1 4.18Å; F240-L645 HydrophobicContact CG-CD1 3.95Å; Y259-L645 HydrophobicContact CD1-CB 4.45Å; Y259-L645 HydrophobicContact CD2-CD2 4.47Å; Y259-L645 HydrophobicContact CE1-CB 3.83Å; Y259-L645 HydrophobicContact CE2-CD1 4.18Å; Y259-L645 HydrophobicContact CE2-CD2 4.49Å; L453-L645 HydrophobicContact CD1-CD1 4.25Å; L453-L645 HydrophobicContact CD1-CD2 4.13Å; S641-L645 PolarHBondContact O-N 2.66Å; L642-L645 HydrophobicContact CD1-CB 4.47Å; L642-L645 HydrophobicContact CD1-CD2 4.26Å; L642-L645 CarbonylContact O-C 3.57Å; L642-L645 WeakPolarHBondContact O-CB 3.12Å; L642-L645 PolarHBondContact O-N 2.66Å; L645-K647 VanDerWaalsContact C-N 3.32Å; L645-K647 PolarHBondContact O-N 3.4Å; L645-N648 WeakPolarHBondContact O-CB 3.48Å; L645-N648 PolarHBondContact O-N 3.43Å; L645-N648 VanDerWaalsContact O-N 3.16Å; L645-L649 HydrophobicContact CD1-CD1 4.13Å; L645-L649 HydrophobicContact CD1-CG 4.19Å; L645-L649 HydrophobicContact CG-CD1 4Å; L645-L649 HydrophobicContact CG-CG 4.49Å; L645-L649 WeakPolarHBondContact O-CG 3.16Å; L645-L649 PolarHBondContact O-N 2.7Å |
| 646 | M | 87.1 | Confident | 84 | Confident | 16 Ų | 16 | 47.8 Ų | 47.8 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 179.2 | -61.7 | -40.3 | -61.9 | 0 | 0 | 111.6 | R477 L478 F481 L642 L649 Q650 | R477-M646 HydrophobicContact CB-SD 4.44Å; L478-M646 HydrophobicContact CD2-CE 4.25Å; L478-M646 HydrophobicContact CD2-SD 4.04Å; F481-M646 HydrophobicContact CB-CE 3.48Å; F481-M646 VanDerWaalsContact CB-CE 3.48Å; F481-M646 HydrophobicContact CD2-CE 3.55Å; F481-M646 HydrophobicContact CE2-CE 4.5Å; F481-M646 HydrophobicContact CG-CE 3.72Å; L642-M646 HydrophobicContact CD1-CG 3.98Å; L642-M646 HydrophobicContact CD1-SD 3.76Å; L642-M646 HydrophobicContact CG-CG 4.29Å; L642-M646 VanDerWaalsContact O-CG 3.32Å; L642-M646 WeakPolarHBondContact O-CG 2.99Å; L642-M646 PolarHBondContact O-N 2.64Å; M646-L649 HydrophobicContact CE-CD1 4.38Å; M646-L649 PolarHBondContact O-N 2.84Å; M646-L649 HydrophobicContact SD-CD1 4.3Å; M646-Q650 WeakPolarHBondContact O-CB 3.1Å; M646-Q650 VanDerWaalsContact O-CG 3.29Å; M646-Q650 WeakPolarHBondContact O-CG 3.06Å; M646-Q650 PolarHBondContact O-N 2.68Å |
| 647 | K | 84.4 | Confident | 84.6 | Confident | 152 Ų | 152 | 46.5 Ų | 46.5 | 66% | 0.661 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.8 | -38.4 | 176 | -174.3 | 172.4 | -178.3 | 172.9 | 0 | 112.8 | N643 L645 S651 | N643-K647 VanDerWaalsContact O-CB 3.31Å; N643-K647 WeakPolarHBondContact O-CB 3.13Å; N643-K647 PolarHBondContact O-N 2.97Å; L645-K647 VanDerWaalsContact C-N 3.32Å; L645-K647 PolarHBondContact O-N 3.4Å; K647-S651 PolarHBondContact O-N 3.47Å |
| 648 | N | 83.8 | Confident | 85.3 | Confident | 31 Ų | 31 | 43.4 Ų | 43.4 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -47.6 | 172.9 | -73 | -16.4 | 0 | 0 | 0 | 110.7 | F240 E257 K644 L645 Q650 S651 | F240-N648 HydrophobicContact CE1-CB 4.29Å; E257-N648 PolarHBondContact OE2-ND2 2.7Å; K644-N648 VanDerWaalsContact O-CG 3.23Å; K644-N648 PolarHBondContact O-N 3.42Å; K644-N648 PolarHBondContact O-ND2 2.68Å; L645-N648 WeakPolarHBondContact O-CB 3.48Å; L645-N648 PolarHBondContact O-N 3.43Å; L645-N648 VanDerWaalsContact O-N 3.16Å; N648-Q650 PolarHBondContact O-N 3.06Å; N648-S651 PolarHBondContact O-N 2.64Å; N648-S651 VanDerWaalsContact O-N 3.09Å; N648-S651 PolarHBondContact O-OG 2.8Å |
| 649 | L | 87.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 179.7 | -65.9 | 168.4 | 0 | 0 | 0 | 112.1 | L169 F240 L453 L478 F481 L645 M646 S651 T652 | L169-L649 HydrophobicContact CD1-CD2 4.23Å; L169-L649 HydrophobicContact CD2-CD1 4.19Å; L169-L649 HydrophobicContact CD2-CD2 4.18Å; L169-L649 HydrophobicContact CG-CD2 4.2Å; F240-L649 HydrophobicContact CE2-CD2 3.82Å; F240-L649 HydrophobicContact CZ-CD2 4.24Å; L453-L649 HydrophobicContact CD2-CD1 4.09Å; L478-L649 HydrophobicContact CD2-CD1 3.83Å; F481-L649 HydrophobicContact CE1-CB 4.47Å; F481-L649 HydrophobicContact CE2-CB 3.72Å; F481-L649 HydrophobicContact CZ-CB 3.7Å; L645-L649 HydrophobicContact CD1-CD1 4.13Å; L645-L649 HydrophobicContact CD1-CG 4.19Å; L645-L649 HydrophobicContact CG-CD1 4Å; L645-L649 HydrophobicContact CG-CG 4.49Å; L645-L649 WeakPolarHBondContact O-CG 3.16Å; L645-L649 PolarHBondContact O-N 2.7Å; M646-L649 HydrophobicContact CE-CD1 4.38Å; M646-L649 PolarHBondContact O-N 2.84Å; M646-L649 HydrophobicContact SD-CD1 4.3Å; L649-S651 PolarHBondContact O-N 3.42Å; L649-T652 PolarHBondContact O-N 3.4Å; L649-T652 VanDerWaalsContact O-O 3.13Å; L649-T652 PolarHBondContact O-OG1 2.69Å |
| 650 | Q | 84.7 | Confident | 86.3 | Confident | 125 Ų | 125 | 40.4 Ų | 40.4 | 58% | 0.584 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.1 | -18.5 | 174.1 | -74.6 | 173.5 | -29.9 | 0 | 0 | 113.9 | F481 M646 N648 T652 | F481-Q650 HydrophobicContact CD2-CG 4.34Å; F481-Q650 HydrophobicContact CE2-CG 3.9Å; M646-Q650 WeakPolarHBondContact O-CB 3.1Å; M646-Q650 VanDerWaalsContact O-CG 3.29Å; M646-Q650 WeakPolarHBondContact O-CG 3.06Å; M646-Q650 PolarHBondContact O-N 2.68Å; N648-Q650 PolarHBondContact O-N 3.06Å; Q650-T652 VanDerWaalsContact C-N 3.33Å |
| 651 | S | 83.6 | Confident | 86.8 | Confident | 73 Ų | 73 | 34.5 Ų | 34.5 | 51% | 0.51 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 14.8 | 174.9 | 71.3 | 0 | 0 | 0 | 0 | 113.9 | K647 N648 L649 | K647-S651 PolarHBondContact O-N 3.47Å; N648-S651 PolarHBondContact O-N 2.64Å; N648-S651 VanDerWaalsContact O-N 3.09Å; N648-S651 PolarHBondContact O-OG 2.8Å; L649-S651 PolarHBondContact O-N 3.42Å |
| 652 | T | 89.4 | Confident | 87.4 | Confident | 13 Ų | 13 | 33.2 Ų | 33.2 | 8% | 0.08 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -137.1 | 152.7 | -179.8 | 64.4 | 0 | 0 | 0 | 0 | 111.4 | N165 S167 F449 L649 Q650 P654 | N165-T652 HydrophobicContact CB-CG2 3.84Å; N165-T652 CarbonylContact O-C 3.53Å; N165-T652 WeakPolarHBondContact O-CA 3.49Å; N165-T652 WeakPolarHBondContact O-CB 3.44Å; S167-T652 VanDerWaalsContact CB-OG1 3.29Å; S167-T652 WeakPolarHBondContact CB-OG1 3.44Å; S167-T652 PolarHBondContact OG-OG1 2.91Å; F449-T652 HydrophobicContact CE2-CG2 3.8Å; F449-T652 HydrophobicContact CZ-CG2 3.77Å; L649-T652 PolarHBondContact O-N 3.4Å; L649-T652 VanDerWaalsContact O-O 3.13Å; L649-T652 PolarHBondContact O-OG1 2.69Å; Q650-T652 VanDerWaalsContact C-N 3.33Å; T652-P654 WeakPolarHBondContact O-CD 2.97Å |
| 653 | S | 86.1 | Confident | 87.6 | Confident | 46 Ų | 46 | 33.2 Ų | 33.2 | 32% | 0.322 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 118.7 | 167.8 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | N165 Q166 S167 | N165-S653 PolarHBondContact O-N 3.45Å; Q166-S653 CarbonylContact C-O 3.54Å; Q166-S653 WeakPolarHBondContact CA-O 3.13Å; S167-S653 PolarHBondContact N-O 2.52Å |
| 654 | P | 90 | Very high | 87.5 | Confident | 28 Ų | 28 | 36 Ų | 36 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 123.6 | -171.2 | 33.8 | -31.3 | 0 | 0 | 0 | 113.6 | L169 F481 H485 T652 F656 | L169-P654 HydrophobicContact CD1-CB 3.68Å; F481-P654 HydrophobicContact CE1-CB 3.95Å; F481-P654 HydrophobicContact CE1-CG 4.17Å; F481-P654 HydrophobicContact CZ-CB 4.22Å; F481-P654 HydrophobicContact CZ-CG 4.27Å; H485-P654 HydrophobicContact CB-CG 4.48Å; T652-P654 WeakPolarHBondContact O-CD 2.97Å; P654-F656 HydrophobicContact CB-CE2 3.88Å; P654-F656 HydrophobicContact CB-CZ 3.91Å; P654-F656 HydrophobicContact CG-CE2 3.89Å; P654-F656 HydrophobicContact CG-CZ 4.08Å |
| 655 | S | 89.3 | Confident | 87.5 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 125.7 | 167.2 | -67.5 | 0 | 0 | 0 | 0 | 110.5 | S167 I168 L169 | S167-S655 WeakPolarHBondContact O-CB 2.98Å; S167-S655 PolarHBondContact O-N 2.86Å; I168-S655 CarbonylContact C-O 3.51Å; I168-S655 WeakPolarHBondContact CA-O 2.95Å; L169-S655 PolarHBondContact N-O 3.4Å |
| 656 | F | 89.2 | Confident | 87.2 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 4% | 0.044 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 138 | -174.7 | -62.5 | -88.1 | 0 | 0 | 0 | 113.5 | F115 C116 L169 F481 F482 H485 P654 | F115-F656 HydrophobicContact CB-CB 3.82Å; F115-F656 WeakPolarHBondContact CB-O 3.41Å; C116-F656 PolarHBondContact N-O 2.85Å; L169-F656 HydrophobicContact CB-CD1 3.94Å; L169-F656 HydrophobicContact CB-CE1 4.27Å; L169-F656 HydrophobicContact CD2-CD1 4.4Å; L169-F656 HydrophobicContact CD2-CE1 3.88Å; L169-F656 HydrophobicContact CG-CE1 4.46Å; F481-F656 HydrophobicContact CD1-CE1 4.05Å; F481-F656 AromaticContact CD1-CZ 3.93Å; F481-F656 HydrophobicContact CD1-CZ 3.93Å; F481-F656 HydrophobicContact CE1-CE1 4.11Å; F481-F656 AromaticContact CE1-CZ 3.78Å; F481-F656 HydrophobicContact CE1-CZ 3.78Å; F482-F656 HydrophobicContact CB-CD1 4.37Å; F482-F656 HydrophobicContact CB-CE1 3.8Å; F482-F656 HydrophobicContact CB-CZ 4.12Å; F482-F656 HydrophobicContact CD2-CB 4.28Å; F482-F656 AromaticContact CD2-CD1 3.64Å; F482-F656 HydrophobicContact CD2-CD1 3.64Å; F482-F656 AromaticContact CD2-CD2 3.92Å; F482-F656 HydrophobicContact CD2-CD2 3.92Å; F482-F656 AromaticContact CD2-CE1 3.79Å; F482-F656 HydrophobicContact CD2-CE1 3.79Å; F482-F656 HydrophobicContact CD2-CE2 4.07Å; F482-F656 AromaticContact CD2-CG 3.69Å; F482-F656 HydrophobicContact CD2-CG 3.69Å; F482-F656 HydrophobicContact CD2-CZ 4.01Å; F482-F656 HydrophobicContact CE2-CB 4.32Å; F482-F656 HydrophobicContact CE2-CD1 4.48Å; F482-F656 HydrophobicContact CE2-CD2 4.36Å; F482-F656 HydrophobicContact CE2-CG 4.16Å; F482-F656 HydrophobicContact CG-CD1 4.48Å; F482-F656 HydrophobicContact CG-CE1 4.3Å; H485-F656 HydrophobicContact CB-CE2 4.42Å; H485-F656 HydrophobicContact CB-CZ 4.38Å; P654-F656 HydrophobicContact CB-CE2 3.88Å; P654-F656 HydrophobicContact CB-CZ 3.91Å; P654-F656 HydrophobicContact CG-CE2 3.89Å; P654-F656 HydrophobicContact CG-CZ 4.08Å |
| 657 | I | 90.9 | Very high | 87 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122.5 | 169.5 | -53.8 | -176.3 | 0 | 0 | 0 | 108.4 | C116 A118 I148 I151 I168 L169 I170 T171 | C116-I657 WeakPolarHBondContact O-CA 3.36Å; A118-I657 HydrophobicContact CB-CG2 4.18Å; I148-I657 HydrophobicContact CD1-CD1 3.75Å; I148-I657 HydrophobicContact CG1-CD1 3.84Å; I151-I657 HydrophobicContact CD1-CD1 3.81Å; I151-I657 HydrophobicContact CD1-CG1 3.85Å; I151-I657 HydrophobicContact CG2-CD1 4.43Å; I168-I657 HydrophobicContact CG2-CD1 3.96Å; I168-I657 HydrophobicContact CG2-CG1 4.36Å; L169-I657 PolarHBondContact O-N 3.08Å; I170-I657 HydrophobicContact CD1-CD1 4.38Å; I170-I657 HydrophobicContact CG1-CB 4.26Å; I170-I657 HydrophobicContact CG1-CD1 4.24Å; T171-I657 PolarHBondContact N-O 2.73Å; T171-I657 PolarHBondContact OG1-O 3.39Å; T171-I657 VanDerWaalsContact OG1-O 3.07Å |
| 658 | R | 90.3 | Very high | 87.1 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 100.1 | -179.2 | -71 | -68.9 | -178.4 | 176.5 | 0.1 | 109.9 | F115 C116 V117 A118 T171 N683 V685 | F115-R658 HydrophobicContact CD2-CG 3.95Å; F115-R658 HydrophobicContact CE2-CG 4.21Å; C116-R658 PolarHBondContact O-N 3.38Å; V117-R658 CarbonylContact C-O 3.38Å; V117-R658 WeakPolarHBondContact CA-O 3.22Å; V117-R658 HydrophobicContact CG2-CB 4.35Å; A118-R658 PolarHBondContact N-O 2.73Å; T171-R658 WeakPolarHBondContact OG1-CD 3.42Å; R658-N683 WeakPolarHBondContact CD-OD1 3.2Å; R658-N683 PolarHBondContact NH1-OD1 3.33Å; R658-N683 PolarHBondContact NH2-O 3.04Å; R658-V685 HydrophobicContact CG-CG2 4.42Å |
| 659 | C | 91.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131.9 | 177.9 | -66.2 | 0 | 0 | 0 | 0 | 111.1 | A118 T171 G172 A176 K178 | A118-C659 CarbonylContact O-C 3.59Å; A118-C659 VanDerWaalsContact O-CA 3.3Å; A118-C659 WeakPolarHBondContact O-CA 3.15Å; T171-C659 WeakPolarHBondContact O-CB 3.11Å; T171-C659 PolarHBondContact O-N 2.82Å; G172-C659 WeakPolarHBondContact CA-O 3.21Å; A176-C659 HydrophobicContact CB-CB 3.63Å; A176-C659 WeakPolarHBondContact O-CB 3.1Å; K178-C659 HydrophobicContact CG-CB 4.04Å |
| 660 | I | 90.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.7 | -176.6 | -57.2 | -65.7 | 0 | 0 | 0 | 110.1 | V117 A118 V119 N120 V676 Q679 | V117-I660 HydrophobicContact CG1-CG1 3.77Å; A118-I660 PolarHBondContact O-N 2.74Å; V119-I660 HydrophobicContact CG2-CB 4.42Å; N120-I660 PolarHBondContact N-O 2.96Å; I660-V676 HydrophobicContact CG2-CG1 4.35Å; I660-V676 HydrophobicContact CG2-CG2 4.03Å; I660-Q679 HydrophobicContact CD1-CB 3.95Å |
| 661 | V | 89.6 | Confident | 87.5 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.055 | 23% | 0.229 | C | C | . | . | trans | -78.6 | 123.8 | 169.1 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | E173 A176 N663 L675 Q679 | E173-V661 HydrophobicContact CB-CG2 4.03Å; A176-V661 HydrophobicContact CB-CG2 3.82Å; V661-N663 WeakPolarHBondContact CG1-O 3.43Å; V661-L675 HydrophobicContact CG1-CD2 4.15Å; V661-Q679 PolarHBondContact O-NE2 3.32Å | ||
| 662 | P | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -82.1 | -27.9 | -178.9 | 34.5 | -39.4 | 0 | 0 | 0 | 113.5 | Y103 V119 N120 Y122 I671 D672 | Y103-P662 HydrophobicContact CE1-CB 4.39Å; Y103-P662 HydrophobicContact CE2-CB 4.25Å; Y103-P662 HydrophobicContact CE2-CG 4.45Å; V119-P662 HydrophobicContact CG1-CB 3.88Å; V119-P662 HydrophobicContact CG1-CG 4.49Å; N120-P662 VanDerWaalsContact O-CG 3.29Å; N120-P662 WeakPolarHBondContact O-CG 3.16Å; Y122-P662 HydrophobicContact CD2-CG 4.03Å; Y122-P662 HydrophobicContact CE2-CG 3.67Å; P662-I671 HydrophobicContact CB-CB 4.48Å; P662-I671 HydrophobicContact CB-CG1 4.25Å; P662-I671 CarbonylContact O-C 3.55Å; P662-I671 WeakPolarHBondContact O-CA 3.09Å; P662-D672 PolarHBondContact O-N 2.56Å | ||
| 663 | N | 88.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | -161.5 | 152 | 179.9 | 63.2 | 86.5 | 0 | 0 | 0 | 110.6 | V661 F665 K666 Q667 V670 | V661-N663 WeakPolarHBondContact CG1-O 3.43Å; N663-F665 VanDerWaalsContact C-N 3.32Å; N663-F665 HydrophobicContact CB-CD2 4.45Å; N663-F665 PolarHBondContact OD1-N 3.45Å; N663-K666 PolarHBondContact OD1-N 3.41Å; N663-Q667 PolarHBondContact ND2-O 2.78Å; N663-Q667 PolarHBondContact OD1-N 2.62Å; N663-V670 HydrophobicContact CB-CG1 4.27Å; N663-V670 PolarHBondContact ND2-O 2.96Å | ||
| 664 | E | 83 | Confident | 87.9 | Confident | 127 Ų | 127 | 41.3 Ų | 41.3 | 59% | 0.593 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -26.2 | 176.6 | -59.2 | -160.4 | 134.6 | 0 | 0 | 113.2 | K666 L675 | E664-K666 PolarHBondContact O-N 2.67Å; E664-K666 VanDerWaalsContact O-N 3.11Å; E664-L675 HydrophobicContact CG-CD2 4Å |
| 665 | F | 81.5 | Confident | 87.8 | Confident | 150 Ų | 150 | 41.1 Ų | 41.1 | 66% | 0.658 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -2 | -175.9 | -52.5 | -68.8 | 0 | 0 | 0 | 114.6 | N663 Q667 | N663-F665 VanDerWaalsContact C-N 3.32Å; N663-F665 HydrophobicContact CB-CD2 4.45Å; N663-F665 PolarHBondContact OD1-N 3.45Å; F665-Q667 HydrophobicContact CB-CG 3.99Å; F665-Q667 WeakPolarHBondContact O-CG 3.43Å; F665-Q667 PolarHBondContact O-N 3.16Å |
| 666 | K | 77.8 | Confident | 87.8 | Confident | 64 Ų | 64 | 40 Ų | 40 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | trans | 59.3 | 23.3 | -177 | -54.4 | 168.5 | -176.4 | 170.5 | 0 | 113.8 | Y122 T229 R230 N232 N663 E664 | Y122-K666 HydrophobicContact CE1-CB 4.32Å; T229-K666 WeakPolarHBondContact O-CE 2.98Å; T229-K666 PolarHBondContact O-NZ 2.76Å; R230-K666 WeakPolarHBondContact O-CE 3.48Å; N232-K666 PolarHBondContact OD1-NZ 2.63Å; N663-K666 PolarHBondContact OD1-N 3.41Å; E664-K666 PolarHBondContact O-N 2.67Å; E664-K666 VanDerWaalsContact O-N 3.11Å | ||
| 667 | Q | 83.3 | Confident | 87.7 | Confident | 106 Ų | 106 | 40.3 Ų | 40.3 | 50% | 0.495 | 21% | 0.213 | S | C | . | . | trans | -93 | 135.3 | -174 | -65.7 | -170.9 | 9.7 | 0 | 0 | 112.6 | N663 F665 V670 | N663-Q667 PolarHBondContact ND2-O 2.78Å; N663-Q667 PolarHBondContact OD1-N 2.62Å; F665-Q667 HydrophobicContact CB-CG 3.99Å; F665-Q667 WeakPolarHBondContact O-CG 3.43Å; F665-Q667 PolarHBondContact O-N 3.16Å; Q667-V670 HydrophobicContact CB-CG2 4.19Å | ||
| 668 | P | 87.1 | Confident | 87.3 | Confident | 74 Ų | 74 | 44.5 Ų | 44.5 | 48% | 0.481 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 134.8 | 177.9 | 30.7 | -35 | 0 | 0 | 0 | 111.6 | P121 K123 V670 | P121-P668 WeakPolarHBondContact O-CA 3.07Å; P121-P668 VanDerWaalsContact O-CB 3.26Å; P121-P668 WeakPolarHBondContact O-CB 3.39Å; K123-P668 HydrophobicContact CB-CB 4.26Å; P668-V670 VanDerWaalsContact C-N 3.32Å; P668-V670 PolarHBondContact O-N 2.89Å |
| 669 | G | 85.8 | Confident | 87.1 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 1.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y103 Y104 | Y103-G669 PolarHBondContact OH-N 3.37Å; Y103-G669 VanDerWaalsContact OH-N 3.13Å; Y104-G669 WeakPolarHBondContact CE1-O 3.15Å |
| 670 | V | 89 | Confident | 86.8 | Confident | 59 Ų | 59 | 44.4 Ų | 44.4 | 36% | 0.358 | 23% | 0.232 | S | C | . | . | trans | -95.8 | 141 | 166 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | Y103 N663 Q667 P668 | Y103-V670 WeakPolarHBondContact CE1-O 3.5Å; Y103-V670 PolarHBondContact OH-O 2.69Å; N663-V670 HydrophobicContact CB-CG1 4.27Å; N663-V670 PolarHBondContact ND2-O 2.96Å; Q667-V670 HydrophobicContact CB-CG2 4.19Å; P668-V670 VanDerWaalsContact C-N 3.32Å; P668-V670 PolarHBondContact O-N 2.89Å | ||
| 671 | I | 90.3 | Very high | 86.1 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | trans | -134.7 | 132.5 | 172.7 | -167.5 | 172.4 | 0 | 0 | 0 | 109.8 | R100 Y103 Y104 P662 V676 | R100-I671 HydrophobicContact CB-CD1 4.46Å; R100-I671 HydrophobicContact CG-CG2 4.09Å; Y103-I671 HydrophobicContact CD1-CB 4.01Å; Y103-I671 HydrophobicContact CD1-CD1 4.32Å; Y103-I671 HydrophobicContact CD1-CG2 4.4Å; Y103-I671 HydrophobicContact CE1-CB 4.01Å; Y104-I671 HydrophobicContact CE1-CG2 4.45Å; Y104-I671 HydrophobicContact CE2-CG2 4.17Å; P662-I671 HydrophobicContact CB-CB 4.48Å; P662-I671 HydrophobicContact CB-CG1 4.25Å; P662-I671 CarbonylContact O-C 3.55Å; P662-I671 WeakPolarHBondContact O-CA 3.09Å; I671-V676 HydrophobicContact CD1-CG2 4.13Å; I671-V676 HydrophobicContact CG1-CG2 3.84Å | ||
| 672 | D | 90.8 | Very high | 85.4 | Confident | 56 Ų | 56 | 48.5 Ų | 48.5 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | trans | -99.1 | 120.8 | 176.8 | 179.8 | -33.4 | 0 | 0 | 0 | 108.7 | P662 H674 L675 V676 | P662-D672 PolarHBondContact O-N 2.56Å; D672-H674 PolarHBondContact OD1-N 2.61Å; D672-L675 HydrophobicContact CB-CB 3.91Å; D672-L675 PolarHBondContact OD1-N 2.71Å; D672-V676 WeakPolarHBondContact O-CB 3.42Å; D672-V676 VanDerWaalsContact O-CG2 3.26Å; D672-V676 WeakPolarHBondContact O-CG2 3.43Å; D672-V676 PolarHBondContact O-N 3.43Å; D672-V676 VanDerWaalsContact O-N 3.15Å | ||
| 673 | A | 89.8 | Confident | 84.7 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E38 L96 V676 L677 | E38-A673 VanDerWaalsContact C-CB 3.42Å; E38-A673 WeakPolarHBondContact O-CB 3.07Å; L96-A673 HydrophobicContact CD2-CB 3.95Å; A673-V676 PolarHBondContact O-N 3.16Å; A673-L677 WeakPolarHBondContact O-CB 3.06Å; A673-L677 VanDerWaalsContact O-CG 3.25Å; A673-L677 WeakPolarHBondContact O-CG 3.24Å; A673-L677 PolarHBondContact O-N 2.81Å |
| 674 | H | 87 | Confident | 84 | Confident | 84 Ų | 84 | 48.6 Ų | 48.6 | 39% | 0.389 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -73.9 | -42.6 | -174.9 | -64.3 | 94.4 | 0 | 0 | 0 | 111 | E36 D672 V676 L677 H678 | E36-H674 PolarHBondContact O-CE1 2.87Å; D672-H674 PolarHBondContact OD1-N 2.61Å; H674-V676 VanDerWaalsContact C-N 3.3Å; H674-V676 PolarHBondContact O-N 2.82Å; H674-L677 PolarHBondContact O-N 2.94Å; H674-H678 WeakPolarHBondContact O-CB 3.09Å; H674-H678 PolarHBondContact O-N 3.29Å |
| 675 | L | 87.5 | Confident | 83.9 | Confident | 24 Ų | 24 | 42.6 Ų | 42.6 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -37.7 | 174.9 | -179.8 | 64.1 | 0 | 0 | 0 | 112.1 | V661 E664 D672 Q679 | V661-L675 HydrophobicContact CG1-CD2 4.15Å; E664-L675 HydrophobicContact CG-CD2 4Å; D672-L675 HydrophobicContact CB-CB 3.91Å; D672-L675 PolarHBondContact OD1-N 2.71Å; L675-Q679 WeakPolarHBondContact O-CG 3.44Å; L675-Q679 PolarHBondContact O-N 2.76Å; L675-Q679 PolarHBondContact O-NE2 2.98Å |
| 676 | V | 89.4 | Confident | 83.7 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.1 | -41.8 | 177.9 | 170 | 0 | 0 | 0 | 0 | 111.7 | L96 I660 I671 D672 A673 H674 Q679 L680 | L96-V676 HydrophobicContact CD1-CB 4.19Å; L96-V676 HydrophobicContact CD1-CG1 3.87Å; I660-V676 HydrophobicContact CG2-CG1 4.35Å; I660-V676 HydrophobicContact CG2-CG2 4.03Å; I671-V676 HydrophobicContact CD1-CG2 4.13Å; I671-V676 HydrophobicContact CG1-CG2 3.84Å; D672-V676 WeakPolarHBondContact O-CB 3.42Å; D672-V676 VanDerWaalsContact O-CG2 3.26Å; D672-V676 WeakPolarHBondContact O-CG2 3.43Å; D672-V676 PolarHBondContact O-N 3.43Å; D672-V676 VanDerWaalsContact O-N 3.15Å; A673-V676 PolarHBondContact O-N 3.16Å; H674-V676 VanDerWaalsContact C-N 3.3Å; H674-V676 PolarHBondContact O-N 2.82Å; V676-Q679 PolarHBondContact O-N 2.91Å; V676-L680 HydrophobicContact CG1-CD1 3.88Å; V676-L680 HydrophobicContact CG1-CG 4.35Å; V676-L680 VanDerWaalsContact O-CG 3.24Å; V676-L680 WeakPolarHBondContact O-CG 3.14Å; V676-L680 PolarHBondContact O-N 3.28Å |
| 677 | L | 86.9 | Confident | 83.6 | Confident | 16 Ų | 16 | 33.8 Ų | 33.8 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.4 | -52.5 | 173.6 | -77.2 | 168.5 | 0 | 0 | 0 | 111.2 | Y40 D92 L96 A673 H674 Q679 L680 H681 | Y40-L677 HydrophobicContact CD2-CD1 4.07Å; Y40-L677 HydrophobicContact CD2-CD2 4.46Å; Y40-L677 HydrophobicContact CE2-CD1 3.8Å; Y40-L677 HydrophobicContact CE2-CD2 4.06Å; D92-L677 HydrophobicContact CB-CD2 4.05Å; L96-L677 HydrophobicContact CB-CD2 4.13Å; L96-L677 HydrophobicContact CD1-CG 4.47Å; L96-L677 HydrophobicContact CD2-CD1 4.07Å; L96-L677 HydrophobicContact CD2-CD2 4.31Å; L96-L677 HydrophobicContact CD2-CG 4.08Å; A673-L677 WeakPolarHBondContact O-CB 3.06Å; A673-L677 VanDerWaalsContact O-CG 3.25Å; A673-L677 WeakPolarHBondContact O-CG 3.24Å; A673-L677 PolarHBondContact O-N 2.81Å; H674-L677 PolarHBondContact O-N 2.94Å; L677-Q679 VanDerWaalsContact C-N 3.31Å; L677-Q679 PolarHBondContact O-N 3.38Å; L677-L680 WeakPolarHBondContact O-CA 2.97Å; L677-L680 WeakPolarHBondContact O-CB 3.34Å; L677-L680 PolarHBondContact O-N 3.19Å; L677-H681 PolarHBondContact O-N 3.07Å; L677-H681 PolarHBondContact O-ND1 3.47Å; L677-H681 VanDerWaalsContact O-ND1 3.12Å |
| 678 | H | 82.4 | Confident | 83.2 | Confident | 87 Ų | 87 | 28.7 Ų | 28.7 | 40% | 0.403 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -52.7 | -47.8 | 177.2 | -176.9 | -95.7 | 0 | 0 | 0 | 112 | A577 H674 L680 H681 C682 | A577-H678 PolarHBondContact O-CE1 2.76Å; H674-H678 WeakPolarHBondContact O-CB 3.09Å; H674-H678 PolarHBondContact O-N 3.29Å; H678-L680 VanDerWaalsContact C-N 3.34Å; H678-L680 PolarHBondContact O-N 3.06Å; H678-H681 PolarHBondContact O-N 3.22Å; H678-C682 WeakPolarHBondContact O-CB 3.01Å; H678-C682 PolarHBondContact O-N 3.18Å; H678-C682 PolarHBondContact O-SG 3.29Å |
| 679 | Q | 86 | Confident | 82.7 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.5 | -36.6 | 175.3 | -78.9 | 170.8 | 94.2 | 0 | 0 | 113.3 | E173 I660 V661 L675 V676 L677 N683 | E173-Q679 HydrophobicContact CG-CG 4.4Å; E173-Q679 WeakPolarHBondContact OE1-CG 3.04Å; I660-Q679 HydrophobicContact CD1-CB 3.95Å; V661-Q679 PolarHBondContact O-NE2 3.32Å; L675-Q679 WeakPolarHBondContact O-CG 3.44Å; L675-Q679 PolarHBondContact O-N 2.76Å; L675-Q679 PolarHBondContact O-NE2 2.98Å; V676-Q679 PolarHBondContact O-N 2.91Å; L677-Q679 VanDerWaalsContact C-N 3.31Å; L677-Q679 PolarHBondContact O-N 3.38Å; Q679-N683 VanDerWaalsContact O-CB 3.26Å; Q679-N683 WeakPolarHBondContact O-CB 3.47Å; Q679-N683 PolarHBondContact O-N 2.83Å; Q679-N683 PolarHBondContact O-ND2 2.94Å |
| 680 | L | 85.8 | Confident | 82.3 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | 179.5 | -71.7 | 165.4 | 0 | 0 | 0 | 112 | V95 L99 V676 L677 H678 G684 V685 | V95-L680 HydrophobicContact CG1-CD1 4.09Å; V95-L680 HydrophobicContact CG1-CD2 4.39Å; L99-L680 HydrophobicContact CD1-CD1 4.03Å; L99-L680 HydrophobicContact CD1-CD2 3.82Å; L99-L680 HydrophobicContact CD1-CG 4.49Å; V676-L680 HydrophobicContact CG1-CD1 3.88Å; V676-L680 HydrophobicContact CG1-CG 4.35Å; V676-L680 VanDerWaalsContact O-CG 3.24Å; V676-L680 WeakPolarHBondContact O-CG 3.14Å; V676-L680 PolarHBondContact O-N 3.28Å; L677-L680 WeakPolarHBondContact O-CA 2.97Å; L677-L680 WeakPolarHBondContact O-CB 3.34Å; L677-L680 PolarHBondContact O-N 3.19Å; H678-L680 VanDerWaalsContact C-N 3.34Å; H678-L680 PolarHBondContact O-N 3.06Å; L680-G684 PolarHBondContact O-N 2.98Å; L680-V685 HydrophobicContact CD2-CB 3.88Å; L680-V685 HydrophobicContact CD2-CG1 3.71Å; L680-V685 HydrophobicContact CD2-CG2 4.11Å; L680-V685 PolarHBondContact O-N 3.45Å |
| 681 | H | 76.2 | Confident | 81.6 | Confident | 79 Ų | 79 | 25.5 Ų | 25.5 | 37% | 0.366 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -62.7 | -56.9 | 172.2 | -63 | 122.1 | 0 | 0 | 0 | 110.9 | D92 L677 H678 N683 G684 | D92-H681 IonicContact OD2-CD2 3.82Å; D92-H681 IonicContact OD2-CE1 2.65Å; D92-H681 PolarHBondContact OD2-CE1 3.28Å; D92-H681 IonicContact OD2-NE2 2.67Å; D92-H681 PolarHBondContact OD2-NE2 3.29Å; L677-H681 PolarHBondContact O-N 3.07Å; L677-H681 PolarHBondContact O-ND1 3.47Å; L677-H681 VanDerWaalsContact O-ND1 3.12Å; H678-H681 PolarHBondContact O-N 3.22Å; H681-N683 VanDerWaalsContact C-N 3.33Å; H681-N683 PolarHBondContact O-N 2.99Å; H681-G684 PolarHBondContact O-N 3.33Å |
| 682 | C | 74.5 | Confident | 80.6 | Confident | 16 Ų | 16 | 24.8 Ų | 24.8 | 11% | 0.108 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.7 | -39.9 | -176.3 | -65.6 | 0 | 0 | 0 | 0 | 112.6 | Y576 H678 G684 | Y576-C682 HydrophobicContact CD2-CB 4.14Å; Y576-C682 WeakPolarHBondContact CD2-O 3.3Å; Y576-C682 HydrophobicContact CE2-CB 4.37Å; Y576-C682 WeakPolarHBondContact O-CB 3.34Å; Y576-C682 PolarHBondContact O-SG 3.39Å; H678-C682 WeakPolarHBondContact O-CB 3.01Å; H678-C682 PolarHBondContact O-N 3.18Å; H678-C682 PolarHBondContact O-SG 3.29Å; C682-G684 PolarHBondContact O-N 3.19Å |
| 683 | N | 76.5 | Confident | 79.8 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -7.1 | 178.2 | -77.9 | -88.9 | 0 | 0 | 0 | 113.9 | Q479 F482 R658 Q679 H681 V685 | Q479-N683 PolarHBondContact NE2-O 2.83Å; F482-N683 WeakPolarHBondContact CE1-O 3.29Å; R658-N683 WeakPolarHBondContact CD-OD1 3.2Å; R658-N683 PolarHBondContact NH1-OD1 3.33Å; R658-N683 PolarHBondContact NH2-O 3.04Å; Q679-N683 VanDerWaalsContact O-CB 3.26Å; Q679-N683 WeakPolarHBondContact O-CB 3.47Å; Q679-N683 PolarHBondContact O-N 2.83Å; Q679-N683 PolarHBondContact O-ND2 2.94Å; H681-N683 VanDerWaalsContact C-N 3.33Å; H681-N683 PolarHBondContact O-N 2.99Å; N683-V685 HydrophobicContact CB-CG2 3.82Å |
| 684 | G | 74.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 30.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L680 H681 C682 G688 | L680-G684 PolarHBondContact O-N 2.98Å; H681-G684 PolarHBondContact O-N 3.33Å; C682-G684 PolarHBondContact O-N 3.19Å; G684-G688 PolarHBondContact O-N 3.39Å |
| 685 | V | 79.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -72 | -40.5 | -173.6 | 173 | 0 | 0 | 0 | 0 | 111.2 | F115 V117 R658 L680 N683 G688 I689 | F115-V685 HydrophobicContact CE2-CB 4.41Å; F115-V685 HydrophobicContact CE2-CG1 4Å; F115-V685 HydrophobicContact CE2-CG2 4.15Å; F115-V685 HydrophobicContact CZ-CB 4.43Å; F115-V685 HydrophobicContact CZ-CG1 4.11Å; V117-V685 HydrophobicContact CG2-CG1 4.01Å; V117-V685 HydrophobicContact CG2-CG2 4.5Å; R658-V685 HydrophobicContact CG-CG2 4.42Å; L680-V685 HydrophobicContact CD2-CB 3.88Å; L680-V685 HydrophobicContact CD2-CG1 3.71Å; L680-V685 HydrophobicContact CD2-CG2 4.11Å; L680-V685 PolarHBondContact O-N 3.45Å; N683-V685 HydrophobicContact CB-CG2 3.82Å; V685-G688 PolarHBondContact O-N 3.11Å; V685-I689 HydrophobicContact CG1-CD1 3.9Å; V685-I689 WeakPolarHBondContact O-CD1 3.45Å; V685-I689 VanDerWaalsContact O-CG1 3.24Å; V685-I689 WeakPolarHBondContact O-CG1 3.09Å; V685-I689 PolarHBondContact O-N 2.71Å |
| 686 | L | 77.5 | Confident | 78.2 | Confident | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.7 | -40.5 | -178.4 | -62.4 | 168.9 | 0 | 0 | 0 | 110.9 | V95 I689 R690 | V95-L686 HydrophobicContact CB-CD2 3.92Å; V95-L686 HydrophobicContact CG1-CD2 3.96Å; V95-L686 HydrophobicContact CG2-CD2 3.77Å; L686-I689 PolarHBondContact O-N 3.15Å; L686-R690 WeakPolarHBondContact O-CB 3.49Å; L686-R690 PolarHBondContact O-N 2.95Å |
| 687 | E | 75.2 | Confident | 77.2 | Confident | 23 Ų | 23 | 26.5 Ų | 26.5 | 11% | 0.107 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.5 | -40.8 | 179.5 | -68.2 | 57.7 | -119.3 | 0 | 0 | 110.4 | F487 F506 M508 I689 R690 I691 | F487-E687 HydrophobicContact CE1-CB 4.27Å; F487-E687 HydrophobicContact CE2-CB 4.4Å; F487-E687 HydrophobicContact CZ-CB 3.79Å; F506-E687 HydrophobicContact CD1-CB 4.03Å; F506-E687 HydrophobicContact CD1-CG 4.1Å; M508-E687 HydrophobicContact CG-CG 4.48Å; M508-E687 HydrophobicContact SD-CB 4.01Å; M508-E687 HydrophobicContact SD-CG 3.72Å; E687-I689 PolarHBondContact O-N 3.35Å; E687-R690 WeakPolarHBondContact O-CA 3.09Å; E687-R690 WeakPolarHBondContact O-CB 3.44Å; E687-R690 PolarHBondContact O-N 3.01Å; E687-R690 VanDerWaalsContact O-N 3.09Å; E687-R690 IonicContact OE1-CZ 3.58Å; E687-R690 IonicContact OE1-NH2 3.53Å; E687-R690 PolarHBondContact OE1-NH2 3.49Å; E687-I691 PolarHBondContact O-N 3.26Å |
| 688 | G | 75.1 | Confident | 76.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.9 | -44.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G684 V685 C692 | G684-G688 PolarHBondContact O-N 3.39Å; V685-G688 PolarHBondContact O-N 3.11Å; G688-C692 WeakPolarHBondContact O-CB 3.06Å; G688-C692 PolarHBondContact O-N 3.16Å; G688-C692 VanDerWaalsContact O-N 3.09Å; G688-C692 PolarHBondContact O-SG 3.49Å |
| 689 | I | 78.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.7 | -37.8 | 173.8 | -59.6 | 158.9 | 0 | 0 | 0 | 110.6 | M84 A85 L90 V95 F115 V685 L686 E687 I691 C692 R693 | M84-I689 HydrophobicContact CB-CD1 4Å; M84-I689 HydrophobicContact CE-CD1 4.13Å; A85-I689 HydrophobicContact CB-CG2 4.44Å; L90-I689 HydrophobicContact CD1-CB 4.17Å; L90-I689 HydrophobicContact CD1-CG2 3.58Å; L90-I689 HydrophobicContact CD2-CB 4.13Å; L90-I689 HydrophobicContact CD2-CG2 3.79Å; L90-I689 HydrophobicContact CG-CG2 4.35Å; V95-I689 HydrophobicContact CG2-CD1 4.49Å; F115-I689 HydrophobicContact CZ-CG1 4.44Å; V685-I689 HydrophobicContact CG1-CD1 3.9Å; V685-I689 WeakPolarHBondContact O-CD1 3.45Å; V685-I689 VanDerWaalsContact O-CG1 3.24Å; V685-I689 WeakPolarHBondContact O-CG1 3.09Å; V685-I689 PolarHBondContact O-N 2.71Å; L686-I689 PolarHBondContact O-N 3.15Å; E687-I689 PolarHBondContact O-N 3.35Å; I689-I691 PolarHBondContact O-N 2.8Å; I689-C692 PolarHBondContact O-N 2.92Å; I689-R693 VanDerWaalsContact O-CB 3.31Å; I689-R693 WeakPolarHBondContact O-CB 3.35Å; I689-R693 PolarHBondContact O-N 2.8Å |
| 690 | R | 76.7 | Confident | 76.6 | Confident | 107 Ų | 107 | 29.7 Ų | 29.7 | 40% | 0.404 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 179.3 | -158.6 | -179.1 | -57.4 | 176.7 | 5 | 112 | L90 F506 L686 E687 K694 | L90-R690 HydrophobicContact CD2-CB 4.06Å; L90-R690 HydrophobicContact CD2-CG 4.44Å; F506-R690 HydrophobicContact CE1-CB 4.24Å; F506-R690 HydrophobicContact CE1-CG 4.27Å; L686-R690 WeakPolarHBondContact O-CB 3.49Å; L686-R690 PolarHBondContact O-N 2.95Å; E687-R690 WeakPolarHBondContact O-CA 3.09Å; E687-R690 WeakPolarHBondContact O-CB 3.44Å; E687-R690 PolarHBondContact O-N 3.01Å; E687-R690 VanDerWaalsContact O-N 3.09Å; E687-R690 IonicContact OE1-CZ 3.58Å; E687-R690 IonicContact OE1-NH2 3.53Å; E687-R690 PolarHBondContact OE1-NH2 3.49Å; R690-K694 WeakPolarHBondContact O-CB 3.5Å; R690-K694 PolarHBondContact O-N 3.38Å; R690-K694 VanDerWaalsContact O-N 3.11Å |
| 691 | I | 73.4 | Confident | 76.7 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.9 | -51 | 171.4 | -69 | -165.2 | 0 | 0 | 0 | 111.4 | F487 F506 E687 I689 R693 K694 G695 | F487-I691 HydrophobicContact CB-CD1 3.71Å; F487-I691 HydrophobicContact CD1-CD1 3.52Å; F487-I691 HydrophobicContact CD1-CG1 4.33Å; F487-I691 HydrophobicContact CE1-CD1 4.48Å; F487-I691 HydrophobicContact CG-CD1 3.91Å; F506-I691 HydrophobicContact CD2-CD1 3.92Å; F506-I691 HydrophobicContact CD2-CG1 4.36Å; F506-I691 HydrophobicContact CE1-CD1 4.34Å; F506-I691 HydrophobicContact CE1-CG1 3.75Å; F506-I691 HydrophobicContact CE2-CD1 3.36Å; F506-I691 HydrophobicContact CE2-CG1 3.53Å; F506-I691 HydrophobicContact CZ-CD1 3.64Å; F506-I691 HydrophobicContact CZ-CG1 3.19Å; E687-I691 PolarHBondContact O-N 3.26Å; I689-I691 PolarHBondContact O-N 2.8Å; I691-R693 PolarHBondContact O-N 2.79Å; I691-K694 PolarHBondContact O-N 2.84Å; I691-G695 PolarHBondContact O-N 2.78Å |
| 692 | C | 70.8 | Confident | 77.3 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.027 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59 | -22.8 | -177.1 | -66.4 | 0 | 0 | 0 | 0 | 113.4 | L114 G688 I689 | L114-C692 PolarHBondContact N-SG 3.35Å; G688-C692 WeakPolarHBondContact O-CB 3.06Å; G688-C692 PolarHBondContact O-N 3.16Å; G688-C692 VanDerWaalsContact O-N 3.09Å; G688-C692 PolarHBondContact O-SG 3.49Å; I689-C692 PolarHBondContact O-N 2.92Å |
| 693 | R | 72.5 | Confident | 77.7 | Confident | 93 Ų | 93 | 33.3 Ų | 33.3 | 35% | 0.351 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -89.5 | -36.1 | 174.7 | -176.4 | 176.7 | 172.1 | -164.5 | -1.9 | 114.4 | L87 T88 I689 I691 | L87-R693 PolarHBondContact O-NH1 2.95Å; T88-R693 VanDerWaalsContact O-CZ 3.24Å; T88-R693 PolarHBondContact O-NH1 3.45Å; T88-R693 PolarHBondContact O-NH2 3.03Å; I689-R693 VanDerWaalsContact O-CB 3.31Å; I689-R693 WeakPolarHBondContact O-CB 3.35Å; I689-R693 PolarHBondContact O-N 2.8Å; I691-R693 PolarHBondContact O-N 2.79Å |
| 694 | K | 75.4 | Confident | 78.1 | Confident | 83 Ų | 83 | 35.7 Ų | 35.7 | 36% | 0.361 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -80.9 | -44.1 | 178.7 | -77.2 | -169.2 | 175.4 | -173.1 | 0 | 112.3 | W501 I504 R690 I691 | W501-K694 HydrophobicContact CH2-CB 3.92Å; W501-K694 HydrophobicContact CZ3-CB 4.22Å; I504-K694 HydrophobicContact CD1-CD 3.52Å; R690-K694 WeakPolarHBondContact O-CB 3.5Å; R690-K694 PolarHBondContact O-N 3.38Å; R690-K694 VanDerWaalsContact O-N 3.11Å; I691-K694 PolarHBondContact O-N 2.84Å |
| 695 | G | 75.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -81.4 | -160.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I691 | I691-G695 PolarHBondContact O-N 2.78Š|
| 696 | F | 79.9 | Confident | 79.1 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 6% | 0.057 | 18% | 0.177 | C | C | . | . | trans | -129.5 | 74.3 | -174.8 | -60.1 | -93.1 | 0 | 0 | 0 | 109.8 | Y494 I499 N698 Q743 F750 F751 K752 | Y494-F696 PolarHBondContact OH-N 3.4Å; Y494-F696 PolarHBondContact OH-O 2.93Å; I499-F696 HydrophobicContact CD1-CD2 4Å; I499-F696 HydrophobicContact CD1-CE2 4.47Å; F696-N698 PolarHBondContact O-N 2.62Å; F696-Q743 HydrophobicContact CD1-CG 4.5Å; F696-Q743 HydrophobicContact CD2-CG 4.41Å; F696-Q743 HydrophobicContact CE1-CB 4.36Å; F696-Q743 HydrophobicContact CE1-CG 3.82Å; F696-Q743 HydrophobicContact CE2-CB 4.47Å; F696-Q743 HydrophobicContact CE2-CG 3.73Å; F696-Q743 HydrophobicContact CZ-CB 4.3Å; F696-Q743 HydrophobicContact CZ-CG 3.4Å; F696-F750 HydrophobicContact CB-CB 3.72Å; F696-F750 HydrophobicContact CB-CD1 4.33Å; F696-F750 HydrophobicContact CG-CB 4.2Å; F696-F751 CarbonylContact C-O 3.58Å; F696-F751 VanDerWaalsContact CA-O 3.22Å; F696-F751 WeakPolarHBondContact CA-O 3.5Å; F696-K752 HydrophobicContact CD1-CG 3.78Å; F696-K752 HydrophobicContact CE1-CD 4.38Å; F696-K752 HydrophobicContact CE1-CG 3.97Å | ||
| 697 | P | 69.4 | Low | 79.4 | Confident | 19 Ų | 19 | 46 Ų | 46 | 12% | 0.123 | 21% | 0.213 | C | C | . | . | trans | -68.8 | -3.4 | -169.3 | 28.7 | -37.5 | 0 | 0 | 0 | 115.1 | L114 A753 | L114-P697 HydrophobicContact CD1-CB 4.06Å; L114-P697 HydrophobicContact CD2-CB 3.91Å; L114-P697 HydrophobicContact CG-CB 3.89Å; P697-A753 HydrophobicContact CG-CB 4.37Å | ||
| 698 | N | 73.9 | Confident | 80 | Confident | 48 Ų | 48 | 47.4 Ų | 47.4 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 132.6 | 175.1 | -72.6 | -46.2 | 0 | 0 | 0 | 109 | F696 F750 F751 K752 L756 | F696-N698 PolarHBondContact O-N 2.62Å; N698-F750 CarbonylContact O-C 3.5Å; N698-F750 WeakPolarHBondContact O-CA 3.15Å; N698-F751 HydrophobicContact CB-CB 3.85Å; N698-F751 PolarHBondContact N-O 2.91Å; N698-F751 PolarHBondContact O-N 3.44Å; N698-K752 PolarHBondContact ND2-O 3.31Å; N698-L756 HydrophobicContact CB-CD1 3.74Å; N698-L756 HydrophobicContact CB-CG 4.02Å |
| 699 | R | 84.6 | Confident | 80.6 | Confident | 108 Ų | 108 | 47.5 Ų | 47.5 | 41% | 0.408 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 146.4 | 177.5 | 57.8 | 178.5 | 171.3 | -112 | 0.9 | 111.8 | E490 V749 F750 | E490-R699 IonicContact OE1-NH1 2.68Å; E490-R699 PolarHBondContact OE1-NH1 2.78Å; E490-R699 IonicContact OE2-CZ 2.84Å; E490-R699 IonicContact OE2-NH1 2.66Å; E490-R699 PolarHBondContact OE2-NH1 3.32Å; E490-R699 IonicContact OE2-NH2 2.69Å; R699-V749 VanDerWaalsContact CA-O 3.31Å; R699-V749 WeakPolarHBondContact CA-O 3.08Å; R699-F750 HydrophobicContact CB-CD1 3.89Å; R699-F750 HydrophobicContact CB-CE1 3.96Å; R699-F750 HydrophobicContact CB-CG 4.37Å; R699-F750 HydrophobicContact CB-CZ 4.49Å |
| 700 | M | 82.6 | Confident | 81.1 | Confident | 15 Ų | 15 | 49 Ų | 49 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 151.3 | 174.6 | -62.4 | -179.6 | -49.2 | 0 | 0 | 110.5 | F705 Y709 K748 V749 F751 L756 | M700-F705 HydrophobicContact CE-CD2 3.46Å; M700-F705 VanDerWaalsContact CE-CD2 3.46Å; M700-F705 HydrophobicContact CE-CE2 4.02Å; M700-F705 HydrophobicContact CE-CG 4.43Å; M700-Y709 HydrophobicContact CE-CD2 4.2Å; M700-Y709 HydrophobicContact CE-CE2 3.32Å; M700-Y709 HydrophobicContact SD-CE2 4Å; M700-K748 VanDerWaalsContact O-CA 3.31Å; M700-K748 WeakPolarHBondContact O-CA 3.47Å; M700-V749 PolarHBondContact N-O 2.77Å; M700-V749 PolarHBondContact O-N 2.92Å; M700-F751 HydrophobicContact CE-CE2 3.97Å; M700-L756 HydrophobicContact CE-CD1 4.28Å; M700-L756 HydrophobicContact CE-CD2 3.39Å; M700-L756 HydrophobicContact CG-CD1 4.18Å; M700-L756 HydrophobicContact SD-CD1 3.9Å; M700-L756 HydrophobicContact SD-CD2 4.05Å |
| 701 | I | 88 | Confident | 81.6 | Confident | 83 Ų | 83 | 46.6 Ų | 46.6 | 43% | 0.426 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 144.3 | 178.7 | -57.9 | 173 | 0 | 0 | 0 | 109.3 | S703 E704 F705 K748 | I701-S703 VanDerWaalsContact C-N 3.26Å; I701-S703 WeakPolarHBondContact CG2-OG 3.43Å; I701-S703 PolarHBondContact O-N 3.4Å; I701-E704 PolarHBondContact O-N 2.84Å; I701-E704 VanDerWaalsContact O-N 3.11Å; I701-F705 PolarHBondContact O-N 3.13Å; I701-K748 HydrophobicContact CG1-CG 4.09Å |
| 702 | Y | 89.3 | Confident | 82.3 | Confident | 11 Ų | 11 | 48 Ų | 48 | 4% | 0.043 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.3 | -32.2 | -177 | -70 | -51 | 0 | 0 | 0 | 114.9 | K706 R725 T728 C744 G745 T747 K748 V749 | Y702-K706 VanDerWaalsContact O-CB 3.26Å; Y702-K706 WeakPolarHBondContact O-CB 3.48Å; Y702-K706 PolarHBondContact O-N 3.2Å; Y702-R725 HydrophobicContact CD1-CB 4.38Å; Y702-R725 HydrophobicContact CD2-CB 3.81Å; Y702-R725 HydrophobicContact CE1-CB 4.16Å; Y702-R725 HydrophobicContact CE1-CG 4.09Å; Y702-R725 HydrophobicContact CE2-CB 3.6Å; Y702-R725 HydrophobicContact CE2-CG 3.87Å; Y702-R725 HydrophobicContact CG-CB 4.22Å; Y702-T728 HydrophobicContact CD1-CG2 3.82Å; Y702-T728 WeakPolarHBondContact CD1-OG1 3.46Å; Y702-T728 HydrophobicContact CE1-CG2 3.99Å; Y702-C744 WeakPolarHBondContact OH-CA 3.09Å; Y702-C744 WeakPolarHBondContact OH-CB 3.41Å; Y702-G745 PolarHBondContact OH-N 3.38Å; Y702-G745 VanDerWaalsContact OH-N 3.08Å; Y702-G745 PolarHBondContact OH-O 2.75Å; Y702-T747 WeakPolarHBondContact CD2-O 3.37Å; Y702-T747 VanDerWaalsContact CE2-C 3.48Å; Y702-T747 PolarHBondContact N-O 2.76Å; Y702-T747 VanDerWaalsContact N-O 3.13Å; Y702-K748 PolarHBondContact OH-O 2.76Å; Y702-V749 HydrophobicContact CD1-CB 4.3Å; Y702-V749 HydrophobicContact CD1-CG1 4.42Å; Y702-V749 HydrophobicContact CE1-CB 3.88Å; Y702-V749 HydrophobicContact CE1-CG1 4.48Å |
| 703 | S | 83.9 | Confident | 83 | Confident | 78 Ų | 78 | 48.2 Ų | 48.2 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.1 | -45.7 | 175 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | I701 K706 Q707 | I701-S703 VanDerWaalsContact C-N 3.26Å; I701-S703 WeakPolarHBondContact CG2-OG 3.43Å; I701-S703 PolarHBondContact O-N 3.4Å; S703-K706 PolarHBondContact O-N 2.83Å; S703-Q707 WeakPolarHBondContact O-CB 3.48Å; S703-Q707 PolarHBondContact O-N 3.22Å |
| 704 | E | 83.7 | Confident | 83.4 | Confident | 55 Ų | 55 | 47.4 Ų | 47.4 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 174.4 | -166.9 | -160.5 | 166.5 | 0 | 0 | 110.7 | Q161 I701 K706 Q707 R708 | Q161-E704 PolarHBondContact NE2-OE1 2.87Å; Q161-E704 VanDerWaalsContact NE2-OE1 3.08Å; I701-E704 PolarHBondContact O-N 2.84Å; I701-E704 VanDerWaalsContact O-N 3.11Å; E704-K706 VanDerWaalsContact C-N 3.33Å; E704-K706 PolarHBondContact O-N 3.37Å; E704-Q707 PolarHBondContact O-N 3.35Å; E704-R708 WeakPolarHBondContact O-CB 3.4Å; E704-R708 PolarHBondContact O-N 2.82Å; E704-R708 IonicContact OE1-NH1 3.86Å; E704-R708 PolarHBondContact OE1-NH1 3.48Å; E704-R708 VanDerWaalsContact OE1-NH1 3.14Å |
| 705 | F | 88.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.2 | -49.4 | 177.3 | -172.3 | -75.8 | 0 | 0 | 0 | 110.8 | M700 I701 R708 Y709 T728 I731 L732 V749 F751 L759 | M700-F705 HydrophobicContact CE-CD2 3.46Å; M700-F705 VanDerWaalsContact CE-CD2 3.46Å; M700-F705 HydrophobicContact CE-CE2 4.02Å; M700-F705 HydrophobicContact CE-CG 4.43Å; I701-F705 PolarHBondContact O-N 3.13Å; F705-R708 PolarHBondContact O-N 2.87Å; F705-Y709 HydrophobicContact CD1-CD2 4.24Å; F705-Y709 AromaticContact CD2-CD2 3.76Å; F705-Y709 HydrophobicContact CD2-CD2 3.76Å; F705-Y709 HydrophobicContact CD2-CE2 4.1Å; F705-Y709 HydrophobicContact CE1-CD2 4.22Å; F705-Y709 HydrophobicContact CE1-CG 4.42Å; F705-Y709 AromaticContact CE2-CD2 3.7Å; F705-Y709 HydrophobicContact CE2-CD2 3.7Å; F705-Y709 HydrophobicContact CE2-CE2 4.16Å; F705-Y709 HydrophobicContact CE2-CG 4.26Å; F705-Y709 AromaticContact CG-CD2 3.98Å; F705-Y709 HydrophobicContact CG-CD2 3.98Å; F705-Y709 AromaticContact CZ-CD2 3.94Å; F705-Y709 HydrophobicContact CZ-CD2 3.94Å; F705-Y709 HydrophobicContact CZ-CG 4.12Å; F705-Y709 WeakPolarHBondContact O-CD2 3.07Å; F705-Y709 PolarHBondContact O-N 3.27Å; F705-T728 HydrophobicContact CB-CG2 4.32Å; F705-T728 HydrophobicContact CD1-CG2 3.5Å; F705-T728 VanDerWaalsContact CD1-CG2 3.5Å; F705-T728 WeakPolarHBondContact CD1-OG1 3.44Å; F705-T728 HydrophobicContact CD2-CG2 4.13Å; F705-T728 HydrophobicContact CE1-CG2 3.86Å; F705-T728 HydrophobicContact CE2-CG2 4.48Å; F705-T728 HydrophobicContact CG-CG2 3.69Å; F705-T728 HydrophobicContact CZ-CG2 4.36Å; F705-I731 HydrophobicContact CE1-CB 3.97Å; F705-I731 HydrophobicContact CE1-CD1 4.33Å; F705-I731 HydrophobicContact CE1-CG2 3.73Å; F705-I731 HydrophobicContact CZ-CG2 4.21Å; F705-L732 HydrophobicContact CE1-CG 4.35Å; F705-L732 HydrophobicContact CE2-CD2 4.08Å; F705-L732 HydrophobicContact CE2-CG 4.42Å; F705-L732 HydrophobicContact CZ-CD1 4.35Å; F705-L732 HydrophobicContact CZ-CD2 3.68Å; F705-L732 HydrophobicContact CZ-CG 3.81Å; F705-V749 HydrophobicContact CB-CG1 4.19Å; F705-V749 HydrophobicContact CD2-CG1 3.69Å; F705-V749 HydrophobicContact CG-CG1 4.1Å; F705-F751 HydrophobicContact CD2-CE2 4.09Å; F705-F751 HydrophobicContact CD2-CZ 4.01Å; F705-F751 HydrophobicContact CE2-CE2 4Å; F705-F751 AromaticContact CE2-CZ 3.52Å; F705-F751 HydrophobicContact CE2-CZ 3.52Å; F705-F751 HydrophobicContact CZ-CZ 4.47Å; F705-L759 HydrophobicContact CE2-CD1 4.16Å; F705-L759 HydrophobicContact CZ-CD1 4.45Å |
| 706 | K | 85.9 | Confident | 83.9 | Confident | 51 Ų | 51 | 53.9 Ų | 53.9 | 22% | 0.222 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.6 | -56.7 | 174.7 | 179.8 | 172.3 | -177.6 | -178.4 | 0 | 110.5 | Y702 S703 E704 R708 S710 V722 V727 | Y702-K706 VanDerWaalsContact O-CB 3.26Å; Y702-K706 WeakPolarHBondContact O-CB 3.48Å; Y702-K706 PolarHBondContact O-N 3.2Å; S703-K706 PolarHBondContact O-N 2.83Å; E704-K706 VanDerWaalsContact C-N 3.33Å; E704-K706 PolarHBondContact O-N 3.37Å; K706-R708 VanDerWaalsContact C-N 3.32Å; K706-R708 PolarHBondContact O-N 3.07Å; K706-S710 VanDerWaalsContact O-CB 3.27Å; K706-S710 WeakPolarHBondContact O-CB 3.14Å; K706-S710 PolarHBondContact O-N 3.1Å; K706-S710 PolarHBondContact O-OG 2.92Å; K706-V722 PolarHBondContact NZ-O 3.32Å; K706-V727 HydrophobicContact CB-CG1 4.36Å; K706-V727 HydrophobicContact CD-CB 4.17Å; K706-V727 HydrophobicContact CD-CG1 3.92Å; K706-V727 HydrophobicContact CD-CG2 4.35Å; K706-V727 HydrophobicContact CG-CG1 3.79Å |
| 707 | Q | 83.5 | Confident | 83.7 | Confident | 171 Ų | 171 | 55.3 Ų | 55.3 | 80% | 0.799 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.6 | -36.9 | -177.1 | -170.3 | 176.5 | 10.1 | 0 | 0 | 113.3 | S703 E704 | S703-Q707 WeakPolarHBondContact O-CB 3.48Å; S703-Q707 PolarHBondContact O-N 3.22Å; E704-Q707 PolarHBondContact O-N 3.35Å |
| 708 | R | 87.8 | Confident | 83.8 | Confident | 53 Ų | 53 | 57.2 Ų | 57.2 | 20% | 0.2 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -79.3 | -43.8 | -175 | -167.1 | 168.2 | -175.7 | 141.5 | 4.4 | 112.5 | E704 F705 K706 E760 R763 | E704-R708 WeakPolarHBondContact O-CB 3.4Å; E704-R708 PolarHBondContact O-N 2.82Å; E704-R708 IonicContact OE1-NH1 3.86Å; E704-R708 PolarHBondContact OE1-NH1 3.48Å; E704-R708 VanDerWaalsContact OE1-NH1 3.14Å; F705-R708 PolarHBondContact O-N 2.87Å; K706-R708 VanDerWaalsContact C-N 3.32Å; K706-R708 PolarHBondContact O-N 3.07Å; R708-E760 IonicContact CZ-OE1 3.87Å; R708-E760 IonicContact CZ-OE2 3.84Å; R708-E760 IonicContact NE-OE1 3.4Å; R708-E760 PolarHBondContact NE-OE1 3.47Å; R708-E760 IonicContact NE-OE2 3.02Å; R708-E760 VanDerWaalsContact NH2-CD 3.33Å; R708-E760 IonicContact NH2-OE1 2.72Å; R708-E760 PolarHBondContact NH2-OE1 3Å; R708-E760 IonicContact NH2-OE2 3.02Å; R708-E760 PolarHBondContact NH2-OE2 2.88Å; R708-R763 VanDerWaalsContact O-CD 3.23Å; R708-R763 WeakPolarHBondContact O-CD 3.45Å; R708-R763 PolarHBondContact O-NE 2.96Å |
| 709 | Y | 89.3 | Confident | 83.6 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -108.2 | -0.5 | -170.3 | -56.2 | -79.8 | 0 | 0 | 0 | 115.4 | M700 F705 I711 L712 L759 E760 R763 | M700-Y709 HydrophobicContact CE-CD2 4.2Å; M700-Y709 HydrophobicContact CE-CE2 3.32Å; M700-Y709 HydrophobicContact SD-CE2 4Å; F705-Y709 HydrophobicContact CD1-CD2 4.24Å; F705-Y709 AromaticContact CD2-CD2 3.76Å; F705-Y709 HydrophobicContact CD2-CD2 3.76Å; F705-Y709 HydrophobicContact CD2-CE2 4.1Å; F705-Y709 HydrophobicContact CE1-CD2 4.22Å; F705-Y709 HydrophobicContact CE1-CG 4.42Å; F705-Y709 AromaticContact CE2-CD2 3.7Å; F705-Y709 HydrophobicContact CE2-CD2 3.7Å; F705-Y709 HydrophobicContact CE2-CE2 4.16Å; F705-Y709 HydrophobicContact CE2-CG 4.26Å; F705-Y709 AromaticContact CG-CD2 3.98Å; F705-Y709 HydrophobicContact CG-CD2 3.98Å; F705-Y709 AromaticContact CZ-CD2 3.94Å; F705-Y709 HydrophobicContact CZ-CD2 3.94Å; F705-Y709 HydrophobicContact CZ-CG 4.12Å; F705-Y709 WeakPolarHBondContact O-CD2 3.07Å; F705-Y709 PolarHBondContact O-N 3.27Å; Y709-I711 PolarHBondContact O-N 2.93Å; Y709-L712 HydrophobicContact CD1-CD1 3.96Å; Y709-L712 WeakPolarHBondContact O-CB 3.46Å; Y709-L712 PolarHBondContact O-N 3.31Å; Y709-L759 HydrophobicContact CD1-CB 4.15Å; Y709-L759 HydrophobicContact CE1-CB 3.78Å; Y709-E760 HydrophobicContact CE1-CG 4.32Å; Y709-E760 PolarHBondContact OH-OE1 3.17Å; Y709-R763 HydrophobicContact CD1-CB 4.46Å |
| 710 | S | 87.4 | Confident | 82.9 | Confident | 31 Ų | 31 | 61.2 Ų | 61.2 | 22% | 0.217 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -51.9 | -29.5 | 173.2 | -73.1 | 0 | 0 | 0 | 0 | 113.8 | K706 L712 A713 P714 I717 | K706-S710 VanDerWaalsContact O-CB 3.27Å; K706-S710 WeakPolarHBondContact O-CB 3.14Å; K706-S710 PolarHBondContact O-N 3.1Å; K706-S710 PolarHBondContact O-OG 2.92Å; S710-L712 PolarHBondContact O-N 3.22Å; S710-A713 CarbonylContact O-C 3.54Å; S710-A713 PolarHBondContact O-N 2.86Å; S710-P714 WeakPolarHBondContact O-CA 3.14Å; S710-P714 WeakPolarHBondContact O-CD 3.4Å; S710-P714 VanDerWaalsContact O-N 3.13Å; S710-I717 WeakPolarHBondContact OG-CD1 3.1Å |
| 711 | I | 88 | Confident | 82.3 | Confident | 56 Ų | 56 | 70.2 Ų | 70.2 | 29% | 0.287 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -64.5 | -21.1 | 177 | -166.2 | 170.8 | 0 | 0 | 0 | 113.9 | Y709 R763 K766 L767 I770 | Y709-I711 PolarHBondContact O-N 2.93Å; I711-R763 HydrophobicContact CG2-CG 4Å; I711-K766 HydrophobicContact CD1-CB 4.02Å; I711-K766 HydrophobicContact CG1-CB 4.06Å; I711-L767 HydrophobicContact CD1-CD2 3.6Å; I711-L767 HydrophobicContact CD1-CG 4.13Å; I711-I770 HydrophobicContact CD1-CD1 4.04Å |
| 712 | L | 87.6 | Confident | 81.5 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 17% | 0.173 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -73.8 | -37.9 | 176.6 | -62.4 | -175.4 | 0 | 0 | 0 | 112.3 | Y709 S710 T735 L759 L762 R763 K766 | Y709-L712 HydrophobicContact CD1-CD1 3.96Å; Y709-L712 WeakPolarHBondContact O-CB 3.46Å; Y709-L712 PolarHBondContact O-N 3.31Å; S710-L712 PolarHBondContact O-N 3.22Å; L712-T735 HydrophobicContact CB-CG2 4.09Å; L712-T735 HydrophobicContact CD1-CG2 3.82Å; L712-L759 HydrophobicContact CD1-CD2 3.93Å; L712-L762 HydrophobicContact CD2-CB 3.96Å; L712-L762 WeakPolarHBondContact CD2-O 3.39Å; L712-R763 HydrophobicContact CD2-CB 4.06Å; L712-K766 HydrophobicContact CD2-CG 4.29Å |
| 713 | A | 84.9 | Confident | 81.1 | Confident | 9 Ų | 9 | 70.4 Ų | 70.4 | 7% | 0.074 | 39% | 0.388 | C | S | . | . | trans | -140.6 | 52.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S710 N715 V716 I731 A734 | S710-A713 CarbonylContact O-C 3.54Å; S710-A713 PolarHBondContact O-N 2.86Å; A713-N715 PolarHBondContact O-N 3.41Å; A713-V716 HydrophobicContact CB-CG2 4.12Å; A713-V716 PolarHBondContact O-N 2.76Å; A713-I731 HydrophobicContact CB-CG1 4.42Å; A713-I731 HydrophobicContact CB-CG2 4.39Å; A713-A734 HydrophobicContact CB-CB 3.66Å | ||
| 714 | P | 80.8 | Confident | 81 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 49% | 0.494 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -61 | -32.8 | -173.2 | 25.1 | -34.8 | 0 | 0 | 0 | 112.7 | S710 V716 I717 | S710-P714 WeakPolarHBondContact O-CA 3.14Å; S710-P714 WeakPolarHBondContact O-CD 3.4Å; S710-P714 VanDerWaalsContact O-N 3.13Å; P714-V716 PolarHBondContact O-N 2.82Å; P714-I717 PolarHBondContact O-N 3.13Å |
| 715 | N | 81.6 | Confident | 81.1 | Confident | 159 Ų | 159 | 69 Ų | 69 | 85% | 0.85 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -68.8 | -3.2 | -178.1 | -57.2 | -6.8 | 0 | 0 | 0 | 114.6 | A713 | A713-N715 PolarHBondContact O-N 3.41Š|
| 716 | V | 80.2 | Confident | 80.9 | Confident | 61 Ų | 61 | 73.4 Ų | 73.4 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -110.6 | -5.3 | -175.2 | -159.2 | 0 | 0 | 0 | 0 | 111.5 | A713 P714 K730 A734 | A713-V716 HydrophobicContact CB-CG2 4.12Å; A713-V716 PolarHBondContact O-N 2.76Å; P714-V716 PolarHBondContact O-N 2.82Å; V716-K730 HydrophobicContact CG1-CB 4.01Å; V716-A734 HydrophobicContact CG2-CB 3.84Å |
| 717 | I | 75.7 | Confident | 80.9 | Confident | 42 Ų | 42 | 71 Ų | 71 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -92.6 | 119.8 | 177.2 | -49.9 | 179.5 | 0 | 0 | 0 | 107.5 | S710 P714 V727 I731 | S710-I717 WeakPolarHBondContact OG-CD1 3.1Å; P714-I717 PolarHBondContact O-N 3.13Å; I717-V727 HydrophobicContact CD1-CG1 4.29Å; I717-V727 HydrophobicContact CG1-CG1 4.15Å; I717-V727 HydrophobicContact CG2-CG1 4.29Å; I717-V727 HydrophobicContact CG2-CG2 4.45Å; I717-I731 HydrophobicContact CD1-CD1 4.21Å |
| 718 | P | 71.8 | Confident | 81.1 | Confident | 60 Ų | 60 | 62.9 Ų | 62.9 | 39% | 0.39 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 145.2 | 173.5 | -15.8 | 29.2 | 0 | 0 | 0 | 111.2 | G720 V722 | P718-G720 PolarHBondContact O-N 3.4Å; P718-V722 HydrophobicContact CB-CG2 4.01Å; P718-V722 HydrophobicContact CG-CG2 4.1Å |
| 719 | D | 69.9 | Low | 81.1 | Confident | 173 Ų | 173 | 63 Ų | 63 | 93% | 0.925 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -63.9 | 127.2 | 172.4 | -65.7 | -53.6 | 0 | 0 | 0 | 110.6 | ||
| 720 | G | 70.4 | Confident | 81 | Confident | 66 Ų | 66 | 66.6 Ų | 66.6 | 68% | 0.68 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 118.2 | -170.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | P718 V722 | P718-G720 PolarHBondContact O-N 3.4Å; G720-V722 PolarHBondContact O-N 2.92Å |
| 721 | F | 68.7 | Low | 81 | Confident | 204 Ų | 204 | 65.2 Ų | 65.2 | 90% | 0.895 | 35% | 0.354 | S | S | * | . | trans | -77 | 120.6 | 173.8 | -172.9 | -88.4 | 0 | 0 | 0 | 110.1 | ||||
| 722 | V | 71.9 | Confident | 81 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 15% | 0.152 | 34% | 0.34 | C | S | . | . | trans | -137.2 | 132.8 | 178.7 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | K706 P718 G720 G724 V727 | K706-V722 PolarHBondContact NZ-O 3.32Å; P718-V722 HydrophobicContact CB-CG2 4.01Å; P718-V722 HydrophobicContact CG-CG2 4.1Å; G720-V722 PolarHBondContact O-N 2.92Å; V722-G724 PolarHBondContact O-N 3.39Å; V722-V727 HydrophobicContact CB-CG2 3.81Å; V722-V727 HydrophobicContact CG1-CG2 3.7Å | ||
| 723 | D | 80.8 | Confident | 81 | Confident | 73 Ų | 73 | 64 Ų | 64 | 39% | 0.39 | 35% | 0.346 | S | S | . | . | trans | -43.7 | 128.7 | 177.5 | 167.4 | 26.6 | 0 | 0 | 0 | 112.1 | R725 Q726 V727 | D723-R725 PolarHBondContact O-N 2.62Å; D723-R725 PolarHBondContact OD1-N 2.76Å; D723-Q726 HydrophobicContact CB-CB 4.48Å; D723-Q726 HydrophobicContact CB-CG 4.38Å; D723-Q726 PolarHBondContact O-N 3.41Å; D723-Q726 WeakPolarHBondContact OD2-CG 3.03Å; D723-Q726 PolarHBondContact OD2-NE2 2.83Å; D723-V727 WeakPolarHBondContact O-CG2 3.16Å; D723-V727 PolarHBondContact O-N 2.84Å | ||
| 724 | G | 82.2 | Confident | 81 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 17% | 0.165 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.5 | -32.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | V722 T728 | V722-G724 PolarHBondContact O-N 3.39Å; G724-T728 VanDerWaalsContact O-CB 3.31Å; G724-T728 WeakPolarHBondContact O-CB 3.5Å; G724-T728 PolarHBondContact O-N 3.05Å; G724-T728 PolarHBondContact O-OG1 3.3Å |
| 725 | R | 86 | Confident | 81.1 | Confident | 87 Ų | 87 | 63.7 Ų | 63.7 | 33% | 0.328 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.1 | -55.5 | 176.7 | 175.9 | 171.5 | 171.2 | 162.4 | -1.8 | 111.1 | Y702 D723 V727 T728 E729 G745 | Y702-R725 HydrophobicContact CD1-CB 4.38Å; Y702-R725 HydrophobicContact CD2-CB 3.81Å; Y702-R725 HydrophobicContact CE1-CB 4.16Å; Y702-R725 HydrophobicContact CE1-CG 4.09Å; Y702-R725 HydrophobicContact CE2-CB 3.6Å; Y702-R725 HydrophobicContact CE2-CG 3.87Å; Y702-R725 HydrophobicContact CG-CB 4.22Å; D723-R725 PolarHBondContact O-N 2.62Å; D723-R725 PolarHBondContact OD1-N 2.76Å; R725-V727 VanDerWaalsContact C-N 3.25Å; R725-V727 PolarHBondContact O-N 3.11Å; R725-T728 WeakPolarHBondContact O-CB 3.2Å; R725-T728 PolarHBondContact O-N 2.88Å; R725-E729 HydrophobicContact CG-CG 4.49Å; R725-E729 IonicContact CZ-OE1 2.82Å; R725-E729 VanDerWaalsContact CZ-OE1 3.27Å; R725-E729 IonicContact NE-OE1 3.31Å; R725-E729 PolarHBondContact NE-OE1 2.83Å; R725-E729 IonicContact NE-OE2 3.08Å; R725-E729 IonicContact NH2-OE1 2.68Å; R725-E729 PolarHBondContact NH2-OE1 2.95Å; R725-E729 PolarHBondContact O-N 3.49Å; R725-G745 PolarHBondContact NH1-O 2.87Å |
| 726 | Q | 85 | Confident | 81.1 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.8 | -36.2 | 178.9 | -68.7 | 174 | 46.8 | 0 | 0 | 112.7 | D723 K730 | D723-Q726 HydrophobicContact CB-CB 4.48Å; D723-Q726 HydrophobicContact CB-CG 4.38Å; D723-Q726 PolarHBondContact O-N 3.41Å; D723-Q726 WeakPolarHBondContact OD2-CG 3.03Å; D723-Q726 PolarHBondContact OD2-NE2 2.83Å; Q726-K730 WeakPolarHBondContact O-CB 3.42Å; Q726-K730 WeakPolarHBondContact O-CD 3.28Å; Q726-K730 VanDerWaalsContact O-CG 3.26Å; Q726-K730 WeakPolarHBondContact O-CG 3.47Å; Q726-K730 PolarHBondContact O-N 2.87Å; Q726-K730 VanDerWaalsContact O-N 3.12Å |
| 727 | V | 85.4 | Confident | 81.2 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.9 | -39.5 | 175 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | K706 I717 V722 D723 R725 K730 I731 | K706-V727 HydrophobicContact CB-CG1 4.36Å; K706-V727 HydrophobicContact CD-CB 4.17Å; K706-V727 HydrophobicContact CD-CG1 3.92Å; K706-V727 HydrophobicContact CD-CG2 4.35Å; K706-V727 HydrophobicContact CG-CG1 3.79Å; I717-V727 HydrophobicContact CD1-CG1 4.29Å; I717-V727 HydrophobicContact CG1-CG1 4.15Å; I717-V727 HydrophobicContact CG2-CG1 4.29Å; I717-V727 HydrophobicContact CG2-CG2 4.45Å; V722-V727 HydrophobicContact CB-CG2 3.81Å; V722-V727 HydrophobicContact CG1-CG2 3.7Å; D723-V727 WeakPolarHBondContact O-CG2 3.16Å; D723-V727 PolarHBondContact O-N 2.84Å; R725-V727 VanDerWaalsContact C-N 3.25Å; R725-V727 PolarHBondContact O-N 3.11Å; V727-K730 PolarHBondContact O-N 3.45Å; V727-I731 HydrophobicContact CG1-CD1 3.73Å; V727-I731 HydrophobicContact CG1-CG1 4.38Å; V727-I731 VanDerWaalsContact O-CG1 3.25Å; V727-I731 WeakPolarHBondContact O-CG1 3.44Å; V727-I731 PolarHBondContact O-N 2.94Å |
| 728 | T | 88.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.6 | -47.5 | 177.3 | -64.1 | 0 | 0 | 0 | 0 | 112 | Y702 F705 G724 R725 K730 I731 L732 V749 | Y702-T728 HydrophobicContact CD1-CG2 3.82Å; Y702-T728 WeakPolarHBondContact CD1-OG1 3.46Å; Y702-T728 HydrophobicContact CE1-CG2 3.99Å; F705-T728 HydrophobicContact CB-CG2 4.32Å; F705-T728 HydrophobicContact CD1-CG2 3.5Å; F705-T728 VanDerWaalsContact CD1-CG2 3.5Å; F705-T728 WeakPolarHBondContact CD1-OG1 3.44Å; F705-T728 HydrophobicContact CD2-CG2 4.13Å; F705-T728 HydrophobicContact CE1-CG2 3.86Å; F705-T728 HydrophobicContact CE2-CG2 4.48Å; F705-T728 HydrophobicContact CG-CG2 3.69Å; F705-T728 HydrophobicContact CZ-CG2 4.36Å; G724-T728 VanDerWaalsContact O-CB 3.31Å; G724-T728 WeakPolarHBondContact O-CB 3.5Å; G724-T728 PolarHBondContact O-N 3.05Å; G724-T728 PolarHBondContact O-OG1 3.3Å; R725-T728 WeakPolarHBondContact O-CB 3.2Å; R725-T728 PolarHBondContact O-N 2.88Å; T728-K730 VanDerWaalsContact C-N 3.35Å; T728-K730 PolarHBondContact O-N 3.25Å; T728-I731 PolarHBondContact O-N 2.86Å; T728-L732 HydrophobicContact CG2-CD1 3.85Å; T728-L732 WeakPolarHBondContact O-CG 3.23Å; T728-L732 PolarHBondContact O-N 3.37Å; T728-V749 HydrophobicContact CG2-CB 3.98Å; T728-V749 HydrophobicContact CG2-CG1 3.83Å; T728-V749 HydrophobicContact CG2-CG2 4.21Å |
| 729 | E | 87.1 | Confident | 81.9 | Confident | 55 Ų | 55 | 62.8 Ų | 62.8 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57 | -47.8 | 175.6 | -72.4 | 168.9 | 165 | 0 | 0 | 110.6 | R725 I731 L732 E733 C744 | R725-E729 HydrophobicContact CG-CG 4.49Å; R725-E729 IonicContact CZ-OE1 2.82Å; R725-E729 VanDerWaalsContact CZ-OE1 3.27Å; R725-E729 IonicContact NE-OE1 3.31Å; R725-E729 PolarHBondContact NE-OE1 2.83Å; R725-E729 IonicContact NE-OE2 3.08Å; R725-E729 IonicContact NH2-OE1 2.68Å; R725-E729 PolarHBondContact NH2-OE1 2.95Å; R725-E729 PolarHBondContact O-N 3.49Å; E729-I731 PolarHBondContact O-N 2.88Å; E729-L732 PolarHBondContact O-N 3.42Å; E729-E733 WeakPolarHBondContact O-CG 3.02Å; E729-E733 PolarHBondContact O-N 3.45Å; E729-C744 HydrophobicContact CG-CB 4.39Å; E729-C744 VanDerWaalsContact CG-SG 3.59Å |
| 730 | K | 86.4 | Confident | 82.4 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 34% | 0.339 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.5 | -77.6 | 171.9 | -178.5 | 171.1 | 0 | 114.3 | V716 Q726 V727 T728 A734 | V716-K730 HydrophobicContact CG1-CB 4.01Å; Q726-K730 WeakPolarHBondContact O-CB 3.42Å; Q726-K730 WeakPolarHBondContact O-CD 3.28Å; Q726-K730 VanDerWaalsContact O-CG 3.26Å; Q726-K730 WeakPolarHBondContact O-CG 3.47Å; Q726-K730 PolarHBondContact O-N 2.87Å; Q726-K730 VanDerWaalsContact O-N 3.12Å; V727-K730 PolarHBondContact O-N 3.45Å; T728-K730 VanDerWaalsContact C-N 3.35Å; T728-K730 PolarHBondContact O-N 3.25Å; K730-A734 VanDerWaalsContact O-CB 3.26Å; K730-A734 WeakPolarHBondContact O-CB 3.49Å; K730-A734 PolarHBondContact O-N 3.05Å |
| 731 | I | 87.9 | Confident | 83.1 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 176.2 | -70.1 | 164.9 | 0 | 0 | 0 | 110.1 | F705 A713 I717 V727 T728 E729 A734 T735 | F705-I731 HydrophobicContact CE1-CB 3.97Å; F705-I731 HydrophobicContact CE1-CD1 4.33Å; F705-I731 HydrophobicContact CE1-CG2 3.73Å; F705-I731 HydrophobicContact CZ-CG2 4.21Å; A713-I731 HydrophobicContact CB-CG1 4.42Å; A713-I731 HydrophobicContact CB-CG2 4.39Å; I717-I731 HydrophobicContact CD1-CD1 4.21Å; V727-I731 HydrophobicContact CG1-CD1 3.73Å; V727-I731 HydrophobicContact CG1-CG1 4.38Å; V727-I731 VanDerWaalsContact O-CG1 3.25Å; V727-I731 WeakPolarHBondContact O-CG1 3.44Å; V727-I731 PolarHBondContact O-N 2.94Å; T728-I731 PolarHBondContact O-N 2.86Å; E729-I731 PolarHBondContact O-N 2.88Å; I731-A734 WeakPolarHBondContact O-CB 3.26Å; I731-A734 PolarHBondContact O-N 2.93Å; I731-T735 WeakPolarHBondContact O-CG2 3.16Å; I731-T735 PolarHBondContact O-N 2.96Å; I731-T735 PolarHBondContact O-OG1 3.47Å |
| 732 | L | 88.7 | Confident | 84 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.8 | -44 | -179.2 | -72.4 | 166.9 | 0 | 0 | 0 | 112.3 | F705 T728 E729 A734 T735 Q736 L737 Y742 V749 F751 L759 | F705-L732 HydrophobicContact CE1-CG 4.35Å; F705-L732 HydrophobicContact CE2-CD2 4.08Å; F705-L732 HydrophobicContact CE2-CG 4.42Å; F705-L732 HydrophobicContact CZ-CD1 4.35Å; F705-L732 HydrophobicContact CZ-CD2 3.68Å; F705-L732 HydrophobicContact CZ-CG 3.81Å; T728-L732 HydrophobicContact CG2-CD1 3.85Å; T728-L732 WeakPolarHBondContact O-CG 3.23Å; T728-L732 PolarHBondContact O-N 3.37Å; E729-L732 PolarHBondContact O-N 3.42Å; L732-A734 VanDerWaalsContact C-N 3.32Å; L732-A734 PolarHBondContact O-N 3.35Å; L732-T735 WeakPolarHBondContact CA-OG1 3.19Å; L732-T735 PolarHBondContact O-N 2.96Å; L732-T735 PolarHBondContact O-OG1 2.89Å; L732-Q736 PolarHBondContact O-N 3.28Å; L732-L737 HydrophobicContact CD2-CD1 4.37Å; L732-L737 PolarHBondContact O-N 2.93Å; L732-Y742 HydrophobicContact CB-CE1 4.25Å; L732-Y742 HydrophobicContact CB-CE2 4.34Å; L732-Y742 HydrophobicContact CD1-CD2 3.73Å; L732-Y742 HydrophobicContact CD1-CE2 3.79Å; L732-Y742 HydrophobicContact CD1-CG 4.15Å; L732-V749 HydrophobicContact CD1-CG2 3.97Å; L732-F751 HydrophobicContact CD1-CE1 4.22Å; L732-F751 HydrophobicContact CD1-CZ 4.07Å; L732-F751 HydrophobicContact CD2-CE1 3.73Å; L732-F751 HydrophobicContact CD2-CZ 3.92Å; L732-L759 HydrophobicContact CD2-CD1 4.05Å |
| 733 | E | 86.6 | Confident | 84.9 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.6 | -35 | 173.9 | -68.4 | -171.5 | 153.8 | 0 | 0 | 112.7 | E729 Q736 K739 | E729-E733 WeakPolarHBondContact O-CG 3.02Å; E729-E733 PolarHBondContact O-N 3.45Å; E733-Q736 PolarHBondContact O-N 3.14Å; E733-Q736 VanDerWaalsContact O-N 3.14Å; E733-K739 VanDerWaalsContact OE1-CE 3.23Å; E733-K739 WeakPolarHBondContact OE1-CE 3.21Å; E733-K739 IonicContact OE1-NZ 2.64Å; E733-K739 PolarHBondContact OE1-NZ 3.03Å |
| 734 | A | 85.5 | Confident | 85.3 | Confident | 43 Ų | 43 | 46.2 Ų | 46.2 | 36% | 0.355 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.4 | -33.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A713 V716 K730 I731 L732 Q736 | A713-A734 HydrophobicContact CB-CB 3.66Å; V716-A734 HydrophobicContact CG2-CB 3.84Å; K730-A734 VanDerWaalsContact O-CB 3.26Å; K730-A734 WeakPolarHBondContact O-CB 3.49Å; K730-A734 PolarHBondContact O-N 3.05Å; I731-A734 WeakPolarHBondContact O-CB 3.26Å; I731-A734 PolarHBondContact O-N 2.93Å; L732-A734 VanDerWaalsContact C-N 3.32Å; L732-A734 PolarHBondContact O-N 3.35Å; A734-Q736 PolarHBondContact O-N 2.85Å |
| 735 | T | 83.7 | Confident | 85.6 | Confident | 35 Ų | 35 | 45.5 Ų | 45.5 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -1.2 | 170.4 | 58.1 | 0 | 0 | 0 | 0 | 114 | L712 I731 L732 L737 L759 | L712-T735 HydrophobicContact CB-CG2 4.09Å; L712-T735 HydrophobicContact CD1-CG2 3.82Å; I731-T735 WeakPolarHBondContact O-CG2 3.16Å; I731-T735 PolarHBondContact O-N 2.96Å; I731-T735 PolarHBondContact O-OG1 3.47Å; L732-T735 WeakPolarHBondContact CA-OG1 3.19Å; L732-T735 PolarHBondContact O-N 2.96Å; L732-T735 PolarHBondContact O-OG1 2.89Å; T735-L737 PolarHBondContact O-N 3.45Å; T735-L759 HydrophobicContact CG2-CD2 4.17Å |
| 736 | Q | 81.7 | Confident | 85.6 | Confident | 138 Ų | 138 | 45 Ų | 45 | 65% | 0.645 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 32.7 | 178.8 | -52.1 | -175.1 | 10.3 | 0 | 0 | 113.8 | L732 E733 A734 | L732-Q736 PolarHBondContact O-N 3.28Å; E733-Q736 PolarHBondContact O-N 3.14Å; E733-Q736 VanDerWaalsContact O-N 3.14Å; A734-Q736 PolarHBondContact O-N 2.85Å |
| 737 | L | 81.7 | Confident | 85.7 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 12% | 0.12 | 23% | 0.228 | C | C | . | . | trans | -83.5 | 134.2 | -174.6 | -148.8 | 151.8 | 0 | 0 | 0 | 110.6 | L732 T735 K739 L741 Y742 T755 L759 | L732-L737 HydrophobicContact CD2-CD1 4.37Å; L732-L737 PolarHBondContact O-N 2.93Å; T735-L737 PolarHBondContact O-N 3.45Å; L737-K739 PolarHBondContact O-N 3.5Å; L737-L741 HydrophobicContact CD2-CB 3.7Å; L737-L741 HydrophobicContact CD2-CD1 3.89Å; L737-L741 HydrophobicContact CD2-CG 4.4Å; L737-Y742 HydrophobicContact CD2-CD1 3.96Å; L737-T755 HydrophobicContact CD1-CG2 4.02Å; L737-T755 HydrophobicContact CD2-CG2 3.69Å; L737-T755 HydrophobicContact CG-CG2 4.43Å; L737-L759 HydrophobicContact CD1-CD1 3.96Å; L737-L759 HydrophobicContact CD1-CD2 3.7Å; L737-L759 HydrophobicContact CD1-CG 3.74Å | ||
| 738 | D | 79.8 | Confident | 85.9 | Confident | 82 Ų | 82 | 46.1 Ų | 46.1 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | trans | -61.7 | 128.4 | -177.5 | 174.5 | 9.5 | 0 | 0 | 0 | 111.8 | N740 L741 Y742 | D738-N740 PolarHBondContact O-N 2.61Å; D738-N740 VanDerWaalsContact O-N 3.1Å; D738-N740 WeakPolarHBondContact OD1-CB 3.36Å; D738-N740 PolarHBondContact OD1-N 2.73Å; D738-N740 PolarHBondContact OD1-ND2 2.83Å; D738-L741 HydrophobicContact CB-CD1 4Å; D738-L741 HydrophobicContact CB-CG 4.04Å; D738-L741 WeakPolarHBondContact O-CB 3.41Å; D738-L741 PolarHBondContact O-N 2.92Å; D738-Y742 WeakPolarHBondContact O-CD1 3.09Å | ||
| 739 | K | 81.8 | Confident | 86 | Confident | 61 Ų | 61 | 46.1 Ų | 46.1 | 27% | 0.265 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -9.2 | 177.4 | -77.2 | 174.6 | 173.9 | 176.9 | 0 | 113.9 | E733 L737 Y742 E1306 | E733-K739 VanDerWaalsContact OE1-CE 3.23Å; E733-K739 WeakPolarHBondContact OE1-CE 3.21Å; E733-K739 IonicContact OE1-NZ 2.64Å; E733-K739 PolarHBondContact OE1-NZ 3.03Å; L737-K739 PolarHBondContact O-N 3.5Å; K739-Y742 HydrophobicContact CB-CE1 4.42Å; K739-Y742 WeakPolarHBondContact CE-OH 3Å; K739-Y742 HydrophobicContact CG-CE1 3.84Å; K739-Y742 WeakPolarHBondContact CG-OH 3.43Å; K739-Y742 VanDerWaalsContact O-O 3.07Å; K739-E1306 HydrophobicContact CD-CG 4.06Å; K739-E1306 WeakPolarHBondContact CD-OE1 3.42Å; K739-E1306 WeakPolarHBondContact CD-OE2 3.41Å; K739-E1306 IonicContact NZ-OE1 3.23Å; K739-E1306 PolarHBondContact NZ-OE1 3.02Å; K739-E1306 IonicContact NZ-OE2 3.46Å; K739-E1306 PolarHBondContact NZ-OE2 3.36Å |
| 740 | N | 81.1 | Confident | 86.2 | Confident | 62 Ų | 62 | 43.5 Ų | 43.5 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -12.2 | 167.9 | -63.9 | -84.2 | 0 | 0 | 0 | 113.7 | D738 K752 | D738-N740 PolarHBondContact O-N 2.61Å; D738-N740 VanDerWaalsContact O-N 3.1Å; D738-N740 WeakPolarHBondContact OD1-CB 3.36Å; D738-N740 PolarHBondContact OD1-N 2.73Å; D738-N740 PolarHBondContact OD1-ND2 2.83Å; N740-K752 WeakPolarHBondContact O-CD 3.48Å; N740-K752 WeakPolarHBondContact O-CE 3.31Å; N740-K752 PolarHBondContact O-NZ 3.4Å |
| 741 | L | 84.6 | Confident | 86.1 | Confident | 62 Ų | 62 | 39.8 Ų | 39.8 | 33% | 0.325 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -96 | -13.2 | -179.4 | -60.7 | 176.6 | 0 | 0 | 0 | 113.5 | L737 D738 F751 K752 T755 | L737-L741 HydrophobicContact CD2-CB 3.7Å; L737-L741 HydrophobicContact CD2-CD1 3.89Å; L737-L741 HydrophobicContact CD2-CG 4.4Å; D738-L741 HydrophobicContact CB-CD1 4Å; D738-L741 HydrophobicContact CB-CG 4.04Å; D738-L741 WeakPolarHBondContact O-CB 3.41Å; D738-L741 PolarHBondContact O-N 2.92Å; L741-F751 WeakPolarHBondContact O-CA 3.43Å; L741-K752 HydrophobicContact CD2-CD 4.49Å; L741-K752 PolarHBondContact O-N 3.26Å; L741-T755 HydrophobicContact CB-CG2 4.13Å |
| 742 | Y | 88.8 | Confident | 85.7 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 6% | 0.059 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 161.8 | 179.2 | 74.5 | -89.9 | 0 | 0 | 0 | 113 | L732 L737 D738 K739 F750 F751 | L732-Y742 HydrophobicContact CB-CE1 4.25Å; L732-Y742 HydrophobicContact CB-CE2 4.34Å; L732-Y742 HydrophobicContact CD1-CD2 3.73Å; L732-Y742 HydrophobicContact CD1-CE2 3.79Å; L732-Y742 HydrophobicContact CD1-CG 4.15Å; L737-Y742 HydrophobicContact CD2-CD1 3.96Å; D738-Y742 WeakPolarHBondContact O-CD1 3.09Å; K739-Y742 HydrophobicContact CB-CE1 4.42Å; K739-Y742 WeakPolarHBondContact CE-OH 3Å; K739-Y742 HydrophobicContact CG-CE1 3.84Å; K739-Y742 WeakPolarHBondContact CG-OH 3.43Å; K739-Y742 VanDerWaalsContact O-O 3.07Å; Y742-F750 CarbonylContact C-O 3.46Å; Y742-F750 WeakPolarHBondContact CA-O 3.12Å; Y742-F750 VanDerWaalsContact CB-O 3.31Å; Y742-F750 WeakPolarHBondContact CB-O 3.02Å; Y742-F751 HydrophobicContact CG-CE1 4.35Å |
| 743 | Q | 88.9 | Confident | 84.6 | Confident | 36 Ų | 36 | 44.2 Ų | 44.2 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 143.3 | 171.4 | -81.2 | -69 | -17.5 | 0 | 0 | 110 | I499 F696 F750 | I499-Q743 HydrophobicContact CB-CB 4.15Å; I499-Q743 HydrophobicContact CD1-CB 4.4Å; I499-Q743 HydrophobicContact CG2-CB 4.22Å; F696-Q743 HydrophobicContact CD1-CG 4.5Å; F696-Q743 HydrophobicContact CD2-CG 4.41Å; F696-Q743 HydrophobicContact CE1-CB 4.36Å; F696-Q743 HydrophobicContact CE1-CG 3.82Å; F696-Q743 HydrophobicContact CE2-CB 4.47Å; F696-Q743 HydrophobicContact CE2-CG 3.73Å; F696-Q743 HydrophobicContact CZ-CB 4.3Å; F696-Q743 HydrophobicContact CZ-CG 3.4Å; Q743-F750 HydrophobicContact CB-CB 4.32Å; Q743-F750 PolarHBondContact N-O 3.42Å; Q743-F750 PolarHBondContact O-N 3.02Å |
| 744 | C | 89.3 | Confident | 83.7 | Confident | 18 Ų | 18 | 43.6 Ų | 43.6 | 12% | 0.122 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.4 | 179.1 | -71.9 | 0 | 0 | 0 | 0 | 110.6 | Y702 E729 | Y702-C744 WeakPolarHBondContact OH-CA 3.09Å; Y702-C744 WeakPolarHBondContact OH-CB 3.41Å; E729-C744 HydrophobicContact CG-CB 4.39Å; E729-C744 VanDerWaalsContact CG-SG 3.59Å |
| 745 | G | 89.3 | Confident | 83.5 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | trans | -93.8 | -148.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E497 Y702 R725 K748 | E497-G745 CarbonylContact O-C 3.54Å; E497-G745 WeakPolarHBondContact O-CA 3.11Å; Y702-G745 PolarHBondContact OH-N 3.38Å; Y702-G745 VanDerWaalsContact OH-N 3.08Å; Y702-G745 PolarHBondContact OH-O 2.75Å; R725-G745 PolarHBondContact NH1-O 2.87Å; G745-K748 WeakPolarHBondContact CA-O 3.4Å; G745-K748 PolarHBondContact N-O 2.88Å | ||
| 746 | N | 86 | Confident | 83.1 | Confident | 75 Ų | 75 | 41.7 Ų | 41.7 | 40% | 0.401 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -87.9 | -40.8 | 177.8 | -61.3 | -48.8 | 0 | 0 | 0 | 111.9 | R496 E497 K498 | R496-N746 PolarHBondContact O-ND2 3.49Å; E497-N746 VanDerWaalsContact C-ND2 3.29Å; E497-N746 PolarHBondContact O-N 2.64Å; E497-N746 VanDerWaalsContact O-N 3.16Å; E497-N746 PolarHBondContact O-ND2 2.65Å; E497-N746 PolarHBondContact OE2-N 2.62Å; K498-N746 WeakPolarHBondContact CG-ND2 3.12Å |
| 747 | T | 86.9 | Confident | 82.5 | Confident | 69 Ų | 69 | 36.9 Ų | 36.9 | 42% | 0.423 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -126.9 | -19.2 | -178.1 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | E497 Y702 | E497-T747 PolarHBondContact OE1-N 3Å; E497-T747 PolarHBondContact OE1-OG1 3.49Å; E497-T747 PolarHBondContact OE2-N 3.1Å; Y702-T747 WeakPolarHBondContact CD2-O 3.37Å; Y702-T747 VanDerWaalsContact CE2-C 3.48Å; Y702-T747 PolarHBondContact N-O 2.76Å; Y702-T747 VanDerWaalsContact N-O 3.13Å |
| 748 | K | 90.3 | Very high | 82.4 | Confident | 50 Ų | 50 | 40.7 Ų | 40.7 | 22% | 0.217 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 150.7 | -174.3 | -66.5 | 164.1 | -158.5 | -178.8 | 0 | 111.9 | E493 E497 M700 I701 Y702 G745 F750 | E493-K748 IonicContact OE1-NZ 3.18Å; E493-K748 PolarHBondContact OE1-NZ 2.88Å; E497-K748 HydrophobicContact CG-CB 4.48Å; E497-K748 HydrophobicContact CG-CD 4.42Å; E497-K748 PolarHBondContact OE2-N 2.7Å; M700-K748 VanDerWaalsContact O-CA 3.31Å; M700-K748 WeakPolarHBondContact O-CA 3.47Å; I701-K748 HydrophobicContact CG1-CG 4.09Å; Y702-K748 PolarHBondContact OH-O 2.76Å; G745-K748 WeakPolarHBondContact CA-O 3.4Å; G745-K748 PolarHBondContact N-O 2.88Å; K748-F750 HydrophobicContact CB-CD2 4.4Å; K748-F750 HydrophobicContact CB-CE2 3.82Å; K748-F750 HydrophobicContact CB-CZ 4.35Å |
| 749 | V | 90.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 137.8 | 163.6 | 55.7 | 0 | 0 | 0 | 0 | 109.5 | R699 M700 Y702 F705 T728 L732 F751 | R699-V749 VanDerWaalsContact CA-O 3.31Å; R699-V749 WeakPolarHBondContact CA-O 3.08Å; M700-V749 PolarHBondContact N-O 2.77Å; M700-V749 PolarHBondContact O-N 2.92Å; Y702-V749 HydrophobicContact CD1-CB 4.3Å; Y702-V749 HydrophobicContact CD1-CG1 4.42Å; Y702-V749 HydrophobicContact CE1-CB 3.88Å; Y702-V749 HydrophobicContact CE1-CG1 4.48Å; F705-V749 HydrophobicContact CB-CG1 4.19Å; F705-V749 HydrophobicContact CD2-CG1 3.69Å; F705-V749 HydrophobicContact CG-CG1 4.1Å; T728-V749 HydrophobicContact CG2-CB 3.98Å; T728-V749 HydrophobicContact CG2-CG1 3.83Å; T728-V749 HydrophobicContact CG2-CG2 4.21Å; L732-V749 HydrophobicContact CD1-CG2 3.97Å; V749-F751 HydrophobicContact CB-CE2 4.14Å; V749-F751 HydrophobicContact CB-CZ 4.36Å; V749-F751 HydrophobicContact CG1-CE2 3.59Å; V749-F751 HydrophobicContact CG1-CZ 4.01Å; V749-F751 HydrophobicContact CG2-CD2 4.37Å; V749-F751 HydrophobicContact CG2-CE1 4.16Å; V749-F751 HydrophobicContact CG2-CE2 3.61Å; V749-F751 HydrophobicContact CG2-CZ 3.46Å; V749-F751 VanDerWaalsContact CG2-CZ 3.46Å |
| 750 | F | 89.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 145.5 | -175.2 | -72.3 | -98.3 | 0 | 0 | 0 | 110.2 | E493 Y494 E497 I499 F696 N698 R699 Y742 Q743 K748 | E493-F750 HydrophobicContact CG-CE1 4.18Å; E493-F750 HydrophobicContact CG-CZ 3.99Å; Y494-F750 AromaticContact CD1-CD1 3.95Å; Y494-F750 HydrophobicContact CD1-CD1 3.95Å; Y494-F750 AromaticContact CD1-CE1 3.62Å; Y494-F750 HydrophobicContact CD1-CE1 3.62Å; Y494-F750 HydrophobicContact CD1-CZ 4.35Å; Y494-F750 AromaticContact CE1-CD1 3.74Å; Y494-F750 HydrophobicContact CE1-CD1 3.74Å; Y494-F750 AromaticContact CE1-CE1 3.69Å; Y494-F750 HydrophobicContact CE1-CE1 3.69Å; E497-F750 HydrophobicContact CB-CE2 3.6Å; E497-F750 HydrophobicContact CB-CZ 3.85Å; E497-F750 HydrophobicContact CG-CE2 3.72Å; E497-F750 HydrophobicContact CG-CZ 3.77Å; I499-F750 HydrophobicContact CD1-CD1 4.41Å; I499-F750 HydrophobicContact CD1-CG 4.26Å; I499-F750 HydrophobicContact CG2-CD2 3.69Å; I499-F750 HydrophobicContact CG2-CE2 3.9Å; I499-F750 HydrophobicContact CG2-CG 4.39Å; F696-F750 HydrophobicContact CB-CB 3.72Å; F696-F750 HydrophobicContact CB-CD1 4.33Å; F696-F750 HydrophobicContact CG-CB 4.2Å; N698-F750 CarbonylContact O-C 3.5Å; N698-F750 WeakPolarHBondContact O-CA 3.15Å; R699-F750 HydrophobicContact CB-CD1 3.89Å; R699-F750 HydrophobicContact CB-CE1 3.96Å; R699-F750 HydrophobicContact CB-CG 4.37Å; R699-F750 HydrophobicContact CB-CZ 4.49Å; Y742-F750 CarbonylContact C-O 3.46Å; Y742-F750 WeakPolarHBondContact CA-O 3.12Å; Y742-F750 VanDerWaalsContact CB-O 3.31Å; Y742-F750 WeakPolarHBondContact CB-O 3.02Å; Q743-F750 HydrophobicContact CB-CB 4.32Å; Q743-F750 PolarHBondContact N-O 3.42Å; Q743-F750 PolarHBondContact O-N 3.02Å; K748-F750 HydrophobicContact CB-CD2 4.4Å; K748-F750 HydrophobicContact CB-CE2 3.82Å; K748-F750 HydrophobicContact CB-CZ 4.35Å |
| 751 | F | 85 | Confident | 82.6 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 149.9 | -173.7 | -66.5 | -77 | 0 | 0 | 0 | 112 | F696 N698 M700 F705 L732 L741 Y742 V749 T755 L756 L759 | F696-F751 CarbonylContact C-O 3.58Å; F696-F751 VanDerWaalsContact CA-O 3.22Å; F696-F751 WeakPolarHBondContact CA-O 3.5Å; N698-F751 HydrophobicContact CB-CB 3.85Å; N698-F751 PolarHBondContact N-O 2.91Å; N698-F751 PolarHBondContact O-N 3.44Å; M700-F751 HydrophobicContact CE-CE2 3.97Å; F705-F751 HydrophobicContact CD2-CE2 4.09Å; F705-F751 HydrophobicContact CD2-CZ 4.01Å; F705-F751 HydrophobicContact CE2-CE2 4Å; F705-F751 AromaticContact CE2-CZ 3.52Å; F705-F751 HydrophobicContact CE2-CZ 3.52Å; F705-F751 HydrophobicContact CZ-CZ 4.47Å; L732-F751 HydrophobicContact CD1-CE1 4.22Å; L732-F751 HydrophobicContact CD1-CZ 4.07Å; L732-F751 HydrophobicContact CD2-CE1 3.73Å; L732-F751 HydrophobicContact CD2-CZ 3.92Å; L741-F751 WeakPolarHBondContact O-CA 3.43Å; Y742-F751 HydrophobicContact CG-CE1 4.35Å; V749-F751 HydrophobicContact CB-CE2 4.14Å; V749-F751 HydrophobicContact CB-CZ 4.36Å; V749-F751 HydrophobicContact CG1-CE2 3.59Å; V749-F751 HydrophobicContact CG1-CZ 4.01Å; V749-F751 HydrophobicContact CG2-CD2 4.37Å; V749-F751 HydrophobicContact CG2-CE1 4.16Å; V749-F751 HydrophobicContact CG2-CE2 3.61Å; V749-F751 HydrophobicContact CG2-CZ 3.46Å; V749-F751 VanDerWaalsContact CG2-CZ 3.46Å; F751-T755 HydrophobicContact CB-CG2 4.48Å; F751-T755 HydrophobicContact CD1-CG2 3.7Å; F751-T755 HydrophobicContact CE1-CG2 4.44Å; F751-T755 HydrophobicContact CG-CG2 4.47Å; F751-L756 HydrophobicContact CB-CD2 4.39Å; F751-L756 HydrophobicContact CB-CG 4.21Å; F751-L756 HydrophobicContact CD1-CD2 4.44Å; F751-L756 HydrophobicContact CD2-CD1 4.49Å; F751-L756 HydrophobicContact CD2-CD2 3.38Å; F751-L756 HydrophobicContact CD2-CG 3.97Å; F751-L756 HydrophobicContact CE2-CD2 3.63Å; F751-L756 HydrophobicContact CG-CD2 3.83Å; F751-L756 HydrophobicContact CG-CG 4.18Å; F751-L756 HydrophobicContact CZ-CD2 4.28Å; F751-L759 HydrophobicContact CE1-CD1 4.02Å; F751-L759 HydrophobicContact CZ-CD1 4.19Å |
| 752 | K | 79.7 | Confident | 82.6 | Confident | 59 Ų | 59 | 35.3 Ų | 35.3 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | trans | -73.3 | 166.4 | 170.8 | -74.4 | -174.8 | 174.2 | 156.5 | 0 | 112.1 | F696 N698 N740 L741 G754 T755 | F696-K752 HydrophobicContact CD1-CG 3.78Å; F696-K752 HydrophobicContact CE1-CD 4.38Å; F696-K752 HydrophobicContact CE1-CG 3.97Å; N698-K752 PolarHBondContact ND2-O 3.31Å; N740-K752 WeakPolarHBondContact O-CD 3.48Å; N740-K752 WeakPolarHBondContact O-CE 3.31Å; N740-K752 PolarHBondContact O-NZ 3.4Å; L741-K752 HydrophobicContact CD2-CD 4.49Å; L741-K752 PolarHBondContact O-N 3.26Å; K752-G754 PolarHBondContact O-N 3.06Å; K752-T755 PolarHBondContact O-N 3.33Å; K752-T755 PolarHBondContact O-OG1 3.3Å | ||
| 753 | A | 65 | Low | 82.6 | Confident | 36 Ų | 36 | 37 Ų | 37 | 30% | 0.298 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 137.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P697 T755 | P697-A753 HydrophobicContact CG-CB 4.37Å; A753-T755 PolarHBondContact O-N 3.07Å |
| 754 | G | 67.8 | Low | 82.4 | Confident | 50 Ų | 50 | 37.3 Ų | 37.3 | 52% | 0.515 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | -23.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | K752 L756 A757 H758 | K752-G754 PolarHBondContact O-N 3.06Å; G754-L756 PolarHBondContact O-N 3.32Å; G754-A757 WeakPolarHBondContact O-CB 2.88Å; G754-A757 PolarHBondContact O-N 2.95Å; G754-A757 VanDerWaalsContact O-N 3.11Å; G754-H758 PolarHBondContact O-N 3.44Å |
| 755 | T | 80.4 | Confident | 82.1 | Confident | 12 Ų | 12 | 42.2 Ų | 42.2 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | -175.2 | -54.4 | 0 | 0 | 0 | 0 | 113.6 | L737 L741 F751 K752 A753 A757 H758 L759 | L737-T755 HydrophobicContact CD1-CG2 4.02Å; L737-T755 HydrophobicContact CD2-CG2 3.69Å; L737-T755 HydrophobicContact CG-CG2 4.43Å; L741-T755 HydrophobicContact CB-CG2 4.13Å; F751-T755 HydrophobicContact CB-CG2 4.48Å; F751-T755 HydrophobicContact CD1-CG2 3.7Å; F751-T755 HydrophobicContact CE1-CG2 4.44Å; F751-T755 HydrophobicContact CG-CG2 4.47Å; K752-T755 PolarHBondContact O-N 3.33Å; K752-T755 PolarHBondContact O-OG1 3.3Å; A753-T755 PolarHBondContact O-N 3.07Å; T755-A757 VanDerWaalsContact C-N 3.32Å; T755-A757 PolarHBondContact O-N 3.37Å; T755-H758 PolarHBondContact O-N 3.42Å; T755-L759 PolarHBondContact O-N 3.48Å |
| 756 | L | 76.5 | Confident | 81.9 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 14% | 0.141 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.1 | -32.6 | 174.8 | -74.1 | -170.3 | 0 | 0 | 0 | 113.3 | N698 M700 F751 G754 H758 L759 E760 | N698-L756 HydrophobicContact CB-CD1 3.74Å; N698-L756 HydrophobicContact CB-CG 4.02Å; M700-L756 HydrophobicContact CE-CD1 4.28Å; M700-L756 HydrophobicContact CE-CD2 3.39Å; M700-L756 HydrophobicContact CG-CD1 4.18Å; M700-L756 HydrophobicContact SD-CD1 3.9Å; M700-L756 HydrophobicContact SD-CD2 4.05Å; F751-L756 HydrophobicContact CB-CD2 4.39Å; F751-L756 HydrophobicContact CB-CG 4.21Å; F751-L756 HydrophobicContact CD1-CD2 4.44Å; F751-L756 HydrophobicContact CD2-CD1 4.49Å; F751-L756 HydrophobicContact CD2-CD2 3.38Å; F751-L756 HydrophobicContact CD2-CG 3.97Å; F751-L756 HydrophobicContact CE2-CD2 3.63Å; F751-L756 HydrophobicContact CG-CD2 3.83Å; F751-L756 HydrophobicContact CG-CG 4.18Å; F751-L756 HydrophobicContact CZ-CD2 4.28Å; G754-L756 PolarHBondContact O-N 3.32Å; L756-H758 VanDerWaalsContact C-N 3.34Å; L756-L759 HydrophobicContact CD2-CD1 4.32Å; L756-L759 PolarHBondContact O-N 2.92Å; L756-E760 WeakPolarHBondContact O-CB 3Å; L756-E760 WeakPolarHBondContact O-CG 3.02Å; L756-E760 PolarHBondContact O-N 3.49Å |
| 757 | A | 69.5 | Low | 82 | Confident | 37 Ų | 37 | 46 Ų | 46 | 31% | 0.306 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G754 T755 L759 E760 D761 | G754-A757 WeakPolarHBondContact O-CB 2.88Å; G754-A757 PolarHBondContact O-N 2.95Å; G754-A757 VanDerWaalsContact O-N 3.11Å; T755-A757 VanDerWaalsContact C-N 3.32Å; T755-A757 PolarHBondContact O-N 3.37Å; A757-L759 PolarHBondContact O-N 3.1Å; A757-E760 CarbonylContact O-C 3.59Å; A757-E760 PolarHBondContact O-N 3.33Å; A757-D761 PolarHBondContact O-N 3.24Å |
| 758 | H | 79.1 | Confident | 82 | Confident | 102 Ų | 102 | 46.8 Ų | 46.8 | 47% | 0.472 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 176.7 | -174.6 | 42.5 | 0 | 0 | 0 | 113.4 | G754 T755 L756 D761 L762 | G754-H758 PolarHBondContact O-N 3.44Å; T755-H758 PolarHBondContact O-N 3.42Å; L756-H758 VanDerWaalsContact C-N 3.34Å; H758-D761 PolarHBondContact O-N 3.21Å; H758-L762 VanDerWaalsContact O-CG 3.31Å; H758-L762 WeakPolarHBondContact O-CG 2.93Å; H758-L762 PolarHBondContact O-N 2.97Å; H758-L762 VanDerWaalsContact O-N 3.11Å |
| 759 | L | 85 | Confident | 81.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.9 | -36.5 | 174 | -77.1 | 172.7 | 0 | 0 | 0 | 112.5 | F705 Y709 L712 L732 T735 L737 F751 T755 L756 A757 R763 | F705-L759 HydrophobicContact CE2-CD1 4.16Å; F705-L759 HydrophobicContact CZ-CD1 4.45Å; Y709-L759 HydrophobicContact CD1-CB 4.15Å; Y709-L759 HydrophobicContact CE1-CB 3.78Å; L712-L759 HydrophobicContact CD1-CD2 3.93Å; L732-L759 HydrophobicContact CD2-CD1 4.05Å; T735-L759 HydrophobicContact CG2-CD2 4.17Å; L737-L759 HydrophobicContact CD1-CD1 3.96Å; L737-L759 HydrophobicContact CD1-CD2 3.7Å; L737-L759 HydrophobicContact CD1-CG 3.74Å; F751-L759 HydrophobicContact CE1-CD1 4.02Å; F751-L759 HydrophobicContact CZ-CD1 4.19Å; T755-L759 PolarHBondContact O-N 3.48Å; L756-L759 HydrophobicContact CD2-CD1 4.32Å; L756-L759 PolarHBondContact O-N 2.92Å; A757-L759 PolarHBondContact O-N 3.1Å; L759-R763 VanDerWaalsContact O-CB 3.25Å; L759-R763 WeakPolarHBondContact O-CB 3.24Å; L759-R763 PolarHBondContact O-N 3.32Å; L759-R763 VanDerWaalsContact O-N 3.14Å |
| 760 | E | 81.1 | Confident | 81.6 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.4 | -38.9 | 173.9 | -78.8 | -82.2 | 104.5 | 0 | 0 | 112.4 | R140 R708 Y709 L756 A757 R763 D764 | R140-E760 IonicContact CZ-OE2 2.61Å; R140-E760 IonicContact NE-OE2 3.78Å; R140-E760 PolarHBondContact NE-OE2 3.18Å; R140-E760 IonicContact NH2-OE2 3.51Å; R140-E760 PolarHBondContact NH2-OE2 3.17Å; R708-E760 IonicContact CZ-OE1 3.87Å; R708-E760 IonicContact CZ-OE2 3.84Å; R708-E760 IonicContact NE-OE1 3.4Å; R708-E760 PolarHBondContact NE-OE1 3.47Å; R708-E760 IonicContact NE-OE2 3.02Å; R708-E760 VanDerWaalsContact NH2-CD 3.33Å; R708-E760 IonicContact NH2-OE1 2.72Å; R708-E760 PolarHBondContact NH2-OE1 3Å; R708-E760 IonicContact NH2-OE2 3.02Å; R708-E760 PolarHBondContact NH2-OE2 2.88Å; Y709-E760 HydrophobicContact CE1-CG 4.32Å; Y709-E760 PolarHBondContact OH-OE1 3.17Å; L756-E760 WeakPolarHBondContact O-CB 3Å; L756-E760 WeakPolarHBondContact O-CG 3.02Å; L756-E760 PolarHBondContact O-N 3.49Å; A757-E760 CarbonylContact O-C 3.59Å; A757-E760 PolarHBondContact O-N 3.33Å; E760-R763 CarbonylContact O-C 3.58Å; E760-R763 WeakPolarHBondContact O-CB 3.28Å; E760-R763 PolarHBondContact O-N 2.99Å; E760-R763 VanDerWaalsContact O-N 3.13Å; E760-R763 WeakPolarHBondContact OE1-CD 3.3Å; E760-R763 IonicContact OE1-CZ 2.6Å; E760-R763 IonicContact OE1-NE 3.03Å; E760-R763 IonicContact OE1-NH1 3.69Å; E760-R763 PolarHBondContact OE1-NH1 3.43Å; E760-R763 IonicContact OE2-NH1 3.21Å; E760-R763 PolarHBondContact OE2-NH1 3.23Å; E760-D764 WeakPolarHBondContact O-CB 3.02Å; E760-D764 PolarHBondContact O-N 3.49Å |
| 761 | D | 80.9 | Confident | 81.5 | Confident | 81 Ų | 81 | 54.7 Ų | 54.7 | 43% | 0.433 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 175.7 | -63.7 | -27.9 | 0 | 0 | 0 | 110.7 | A757 H758 R763 D764 D765 | A757-D761 PolarHBondContact O-N 3.24Å; H758-D761 PolarHBondContact O-N 3.21Å; D761-R763 PolarHBondContact O-N 3.18Å; D761-D764 PolarHBondContact O-N 3.28Å; D761-D765 PolarHBondContact O-N 2.75Å |
| 762 | L | 84.6 | Confident | 81.6 | Confident | 63 Ų | 63 | 58.3 Ų | 58.3 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.2 | -31.5 | 174.6 | -71.8 | 171.7 | 0 | 0 | 0 | 112.6 | L712 H758 | L712-L762 HydrophobicContact CD2-CB 3.96Å; L712-L762 WeakPolarHBondContact CD2-O 3.39Å; H758-L762 VanDerWaalsContact O-CG 3.31Å; H758-L762 WeakPolarHBondContact O-CG 2.93Å; H758-L762 PolarHBondContact O-N 2.97Å; H758-L762 VanDerWaalsContact O-N 3.11Å |
| 763 | R | 88.3 | Confident | 82.1 | Confident | 50 Ų | 50 | 61.7 Ų | 61.7 | 19% | 0.189 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -78.2 | -40.9 | 179.6 | 171.4 | 178.1 | 172.3 | -91.4 | -12.4 | 111.1 | R708 Y709 I711 L712 L759 E760 D761 D765 K766 L767 | R708-R763 VanDerWaalsContact O-CD 3.23Å; R708-R763 WeakPolarHBondContact O-CD 3.45Å; R708-R763 PolarHBondContact O-NE 2.96Å; Y709-R763 HydrophobicContact CD1-CB 4.46Å; I711-R763 HydrophobicContact CG2-CG 4Å; L712-R763 HydrophobicContact CD2-CB 4.06Å; L759-R763 VanDerWaalsContact O-CB 3.25Å; L759-R763 WeakPolarHBondContact O-CB 3.24Å; L759-R763 PolarHBondContact O-N 3.32Å; L759-R763 VanDerWaalsContact O-N 3.14Å; E760-R763 CarbonylContact O-C 3.58Å; E760-R763 WeakPolarHBondContact O-CB 3.28Å; E760-R763 PolarHBondContact O-N 2.99Å; E760-R763 VanDerWaalsContact O-N 3.13Å; E760-R763 WeakPolarHBondContact OE1-CD 3.3Å; E760-R763 IonicContact OE1-CZ 2.6Å; E760-R763 IonicContact OE1-NE 3.03Å; E760-R763 IonicContact OE1-NH1 3.69Å; E760-R763 PolarHBondContact OE1-NH1 3.43Å; E760-R763 IonicContact OE2-NH1 3.21Å; E760-R763 PolarHBondContact OE2-NH1 3.23Å; D761-R763 PolarHBondContact O-N 3.18Å; R763-D765 VanDerWaalsContact C-N 3.35Å; R763-K766 WeakPolarHBondContact O-CB 3.47Å; R763-K766 PolarHBondContact O-N 3.28Å; R763-K766 VanDerWaalsContact O-N 3.14Å; R763-L767 HydrophobicContact CG-CD1 3.87Å; R763-L767 HydrophobicContact CG-CG 4.4Å; R763-L767 WeakPolarHBondContact O-CG 3.06Å; R763-L767 PolarHBondContact O-N 2.65Å |
| 764 | D | 85.4 | Confident | 83.3 | Confident | 42 Ų | 42 | 66.4 Ų | 66.4 | 23% | 0.225 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 175.8 | -72.2 | -12.6 | 0 | 0 | 0 | 111.2 | R140 E760 D761 K766 L767 N768 | R140-D764 IonicContact CZ-OD2 2.68Å; R140-D764 IonicContact NH1-OD2 2.78Å; R140-D764 PolarHBondContact NH1-OD2 2.85Å; R140-D764 IonicContact NH2-OD1 3.39Å; R140-D764 PolarHBondContact NH2-OD1 2.95Å; R140-D764 IonicContact NH2-OD2 2.73Å; R140-D764 PolarHBondContact NH2-OD2 2.67Å; E760-D764 WeakPolarHBondContact O-CB 3.02Å; E760-D764 PolarHBondContact O-N 3.49Å; D761-D764 PolarHBondContact O-N 3.28Å; D764-K766 PolarHBondContact O-N 2.67Å; D764-L767 CarbonylContact O-C 3.38Å; D764-L767 PolarHBondContact O-N 3.37Å; D764-L767 VanDerWaalsContact O-N 3.13Å; D764-N768 VanDerWaalsContact O-CB 3.25Å; D764-N768 WeakPolarHBondContact O-CB 3.27Å; D764-N768 PolarHBondContact O-N 3.42Å; D764-N768 PolarHBondContact O-ND2 3.28Å; D764-N768 VanDerWaalsContact O-ND2 3.07Å |
| 765 | D | 83.5 | Confident | 84.2 | Confident | 121 Ų | 121 | 68 Ų | 68 | 65% | 0.647 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -57.5 | -35.2 | 170.9 | -90.5 | -10.5 | 0 | 0 | 0 | 112.9 | D761 R763 | D761-D765 PolarHBondContact O-N 2.75Å; R763-D765 VanDerWaalsContact C-N 3.35Å |
| 766 | K | 84.7 | Confident | 84.7 | Confident | 121 Ų | 121 | 70.1 Ų | 70.1 | 53% | 0.526 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -74.8 | -43 | 172.3 | -59.4 | -54.8 | -179.3 | -171.4 | 0 | 112.2 | I711 L712 R763 D764 | I711-K766 HydrophobicContact CD1-CB 4.02Å; I711-K766 HydrophobicContact CG1-CB 4.06Å; L712-K766 HydrophobicContact CD2-CG 4.29Å; R763-K766 WeakPolarHBondContact O-CB 3.47Å; R763-K766 PolarHBondContact O-N 3.28Å; R763-K766 VanDerWaalsContact O-N 3.14Å; D764-K766 PolarHBondContact O-N 2.67Å |
| 767 | L | 87.3 | Confident | 85.4 | Confident | 35 Ų | 35 | 74.5 Ų | 74.5 | 18% | 0.183 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.7 | -32.8 | -178 | -71.4 | 172.5 | 0 | 0 | 0 | 112.5 | I711 R763 D764 G769 I770 I771 | I711-L767 HydrophobicContact CD1-CD2 3.6Å; I711-L767 HydrophobicContact CD1-CG 4.13Å; R763-L767 HydrophobicContact CG-CD1 3.87Å; R763-L767 HydrophobicContact CG-CG 4.4Å; R763-L767 WeakPolarHBondContact O-CG 3.06Å; R763-L767 PolarHBondContact O-N 2.65Å; D764-L767 CarbonylContact O-C 3.38Å; D764-L767 PolarHBondContact O-N 3.37Å; D764-L767 VanDerWaalsContact O-N 3.13Å; L767-G769 PolarHBondContact O-N 2.83Å; L767-I770 PolarHBondContact O-N 3.3Å; L767-I771 HydrophobicContact CB-CD1 3.85Å; L767-I771 HydrophobicContact CB-CG1 4.39Å; L767-I771 WeakPolarHBondContact O-CB 3.15Å; L767-I771 WeakPolarHBondContact O-CG1 3.46Å; L767-I771 PolarHBondContact O-N 2.82Å |
| 768 | N | 87.6 | Confident | 86.4 | Confident | 85 Ų | 85 | 76 Ų | 76 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -54.2 | -38.1 | -178.3 | -85.2 | -35.2 | 0 | 0 | 0 | 112.6 | D764 S772 | D764-N768 VanDerWaalsContact O-CB 3.25Å; D764-N768 WeakPolarHBondContact O-CB 3.27Å; D764-N768 PolarHBondContact O-N 3.42Å; D764-N768 PolarHBondContact O-ND2 3.28Å; D764-N768 VanDerWaalsContact O-ND2 3.07Å; N768-S772 VanDerWaalsContact O-CB 3.24Å; N768-S772 WeakPolarHBondContact O-CB 3.13Å; N768-S772 PolarHBondContact O-N 2.82Å; N768-S772 PolarHBondContact O-OG 2.82Å |
| 769 | G | 84 | Confident | 86.9 | Confident | 45 Ų | 45 | 78.8 Ų | 78.8 | 46% | 0.464 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L767 L773 | L767-G769 PolarHBondContact O-N 2.83Å; G769-L773 WeakPolarHBondContact O-CG 3.25Å |
| 770 | I | 87.5 | Confident | 87.3 | Confident | 103 Ų | 103 | 79.9 Ų | 79.9 | 53% | 0.528 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -74.1 | -46.6 | -179.8 | -56.4 | 176.3 | 0 | 0 | 0 | 110.5 | I711 L767 S772 L773 F774 | I711-I770 HydrophobicContact CD1-CD1 4.04Å; L767-I770 PolarHBondContact O-N 3.3Å; I770-S772 VanDerWaalsContact C-N 3.3Å; I770-S772 PolarHBondContact O-N 3.32Å; I770-L773 PolarHBondContact O-N 3.36Å; I770-F774 PolarHBondContact O-N 2.89Å |
| 771 | I | 87.6 | Confident | 87.7 | Confident | 69 Ų | 69 | 86.1 Ų | 86.1 | 35% | 0.354 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 179.4 | -68.8 | 174.3 | 0 | 0 | 0 | 110.5 | L767 L773 F774 Q775 | L767-I771 HydrophobicContact CB-CD1 3.85Å; L767-I771 HydrophobicContact CB-CG1 4.39Å; L767-I771 WeakPolarHBondContact O-CB 3.15Å; L767-I771 WeakPolarHBondContact O-CG1 3.46Å; L767-I771 PolarHBondContact O-N 2.82Å; I771-L773 PolarHBondContact O-N 3.31Å; I771-F774 PolarHBondContact O-N 3.35Å; I771-Q775 HydrophobicContact CG2-CG 4.16Å; I771-Q775 WeakPolarHBondContact O-CB 3.04Å; I771-Q775 VanDerWaalsContact O-CG 3.3Å; I771-Q775 WeakPolarHBondContact O-CG 3.37Å; I771-Q775 PolarHBondContact O-N 2.78Å |
| 772 | S | 88.2 | Confident | 88.1 | Confident | 75 Ų | 75 | 86.7 Ų | 86.7 | 52% | 0.524 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.5 | -64.5 | 0 | 0 | 0 | 0 | 112.5 | N768 I770 A776 | N768-S772 VanDerWaalsContact O-CB 3.24Å; N768-S772 WeakPolarHBondContact O-CB 3.13Å; N768-S772 PolarHBondContact O-N 2.82Å; N768-S772 PolarHBondContact O-OG 2.82Å; I770-S772 VanDerWaalsContact C-N 3.3Å; I770-S772 PolarHBondContact O-N 3.32Å; S772-A776 WeakPolarHBondContact O-CB 3.39Å; S772-A776 PolarHBondContact O-N 3.21Å |
| 773 | L | 90.1 | Very high | 88.4 | Confident | 130 Ų | 130 | 89.7 Ų | 89.7 | 68% | 0.681 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.8 | -44.5 | 175.7 | -66.8 | 170.1 | 0 | 0 | 0 | 111.5 | G769 I770 I771 A776 E777 | G769-L773 WeakPolarHBondContact O-CG 3.25Å; I770-L773 PolarHBondContact O-N 3.36Å; I771-L773 PolarHBondContact O-N 3.31Å; L773-A776 WeakPolarHBondContact O-CB 3.36Å; L773-A776 PolarHBondContact O-N 2.96Å; L773-E777 PolarHBondContact O-N 2.9Å |
| 774 | F | 89.2 | Confident | 88.6 | Confident | 135 Ų | 135 | 94 Ų | 94 | 59% | 0.592 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64 | -41 | 177.8 | -176.8 | -123.4 | 0 | 0 | 0 | 112.5 | I770 I771 A776 E777 I778 | I770-F774 PolarHBondContact O-N 2.89Å; I771-F774 PolarHBondContact O-N 3.35Å; F774-A776 VanDerWaalsContact C-N 3.33Å; F774-A776 PolarHBondContact O-N 2.83Å; F774-E777 PolarHBondContact O-N 3.24Å; F774-I778 HydrophobicContact CD1-CD1 3.85Å; F774-I778 HydrophobicContact CD2-CD1 4.34Å; F774-I778 HydrophobicContact CE1-CD1 3.49Å; F774-I778 VanDerWaalsContact CE1-CD1 3.49Å; F774-I778 HydrophobicContact CE2-CD1 4.01Å; F774-I778 HydrophobicContact CE2-CG1 4.36Å; F774-I778 HydrophobicContact CG-CD1 4.27Å; F774-I778 HydrophobicContact CZ-CD1 3.58Å; F774-I778 HydrophobicContact CZ-CG1 4.39Å; F774-I778 WeakPolarHBondContact O-CG1 3.37Å; F774-I778 PolarHBondContact O-N 2.87Å |
| 775 | Q | 87.1 | Confident | 88.7 | Confident | 83 Ų | 83 | 98.6 Ų | 98.6 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -36.9 | 172.6 | -75.7 | -170.7 | 31 | 0 | 0 | 112.2 | I771 R779 | I771-Q775 HydrophobicContact CG2-CG 4.16Å; I771-Q775 WeakPolarHBondContact O-CB 3.04Å; I771-Q775 VanDerWaalsContact O-CG 3.3Å; I771-Q775 WeakPolarHBondContact O-CG 3.37Å; I771-Q775 PolarHBondContact O-N 2.78Å; Q775-R779 WeakPolarHBondContact O-CB 3.13Å; Q775-R779 WeakPolarHBondContact O-CG 3.16Å; Q775-R779 PolarHBondContact O-N 3.31Å |
| 776 | A | 91.4 | Very high | 89 | Confident | 57 Ų | 57 | 98.1 Ų | 98.1 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S772 L773 F774 R779 G780 | S772-A776 WeakPolarHBondContact O-CB 3.39Å; S772-A776 PolarHBondContact O-N 3.21Å; L773-A776 WeakPolarHBondContact O-CB 3.36Å; L773-A776 PolarHBondContact O-N 2.96Å; F774-A776 VanDerWaalsContact C-N 3.33Å; F774-A776 PolarHBondContact O-N 2.83Å; A776-R779 PolarHBondContact O-N 2.86Å; A776-G780 PolarHBondContact O-N 2.74Å |
| 777 | E | 90.7 | Very high | 89.3 | Confident | 119 Ų | 119 | 99.6 Ų | 99.6 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.1 | -39.6 | 176.4 | -80.8 | -56.8 | 154.5 | 0 | 0 | 113.4 | L773 F774 G780 Y781 R784 | L773-E777 PolarHBondContact O-N 2.9Å; F774-E777 PolarHBondContact O-N 3.24Å; E777-G780 CarbonylContact O-C 3.53Å; E777-G780 PolarHBondContact O-N 3.37Å; E777-Y781 WeakPolarHBondContact O-CB 3.47Å; E777-Y781 PolarHBondContact O-N 2.82Å; E777-R784 IonicContact OE2-CZ 2.6Å; E777-R784 IonicContact OE2-NH1 3.15Å; E777-R784 IonicContact OE2-NH2 3.98Å; E777-R784 PolarHBondContact OE2-NH2 2.87Å |
| 778 | I | 91.1 | Very high | 89.4 | Confident | 69 Ų | 69 | 104.3 Ų | 104.3 | 35% | 0.354 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 173.6 | -72.1 | 170.8 | 0 | 0 | 0 | 110.7 | F774 G780 Y781 L782 | F774-I778 HydrophobicContact CD1-CD1 3.85Å; F774-I778 HydrophobicContact CD2-CD1 4.34Å; F774-I778 HydrophobicContact CE1-CD1 3.49Å; F774-I778 VanDerWaalsContact CE1-CD1 3.49Å; F774-I778 HydrophobicContact CE2-CD1 4.01Å; F774-I778 HydrophobicContact CE2-CG1 4.36Å; F774-I778 HydrophobicContact CG-CD1 4.27Å; F774-I778 HydrophobicContact CZ-CD1 3.58Å; F774-I778 HydrophobicContact CZ-CG1 4.39Å; F774-I778 WeakPolarHBondContact O-CG1 3.37Å; F774-I778 PolarHBondContact O-N 2.87Å; I778-G780 VanDerWaalsContact C-N 3.31Å; I778-G780 PolarHBondContact O-N 2.88Å; I778-Y781 PolarHBondContact O-N 3.26Å; I778-L782 HydrophobicContact CG2-CD1 3.84Å; I778-L782 HydrophobicContact CG2-CG 4.28Å; I778-L782 WeakPolarHBondContact O-CB 3.14Å; I778-L782 WeakPolarHBondContact O-CG 3.06Å; I778-L782 PolarHBondContact O-N 2.87Å |
| 779 | R | 90.7 | Very high | 89.5 | Confident | 160 Ų | 160 | 106.9 Ų | 106.9 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -42.6 | 176.9 | -70.8 | 171.9 | -164.1 | -162.8 | 9.7 | 110.7 | Q775 A776 M783 | Q775-R779 WeakPolarHBondContact O-CB 3.13Å; Q775-R779 WeakPolarHBondContact O-CG 3.16Å; Q775-R779 PolarHBondContact O-N 3.31Å; A776-R779 PolarHBondContact O-N 2.86Å; R779-M783 VanDerWaalsContact O-CB 3.31Å; R779-M783 WeakPolarHBondContact O-CB 3.05Å; R779-M783 WeakPolarHBondContact O-CG 3.36Å; R779-M783 PolarHBondContact O-N 3.49Å |
| 780 | G | 91.6 | Very high | 89.8 | Confident | 24 Ų | 24 | 109.1 Ų | 109.1 | 25% | 0.247 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A776 E777 I778 M783 R784 | A776-G780 PolarHBondContact O-N 2.74Å; E777-G780 CarbonylContact O-C 3.53Å; E777-G780 PolarHBondContact O-N 3.37Å; I778-G780 VanDerWaalsContact C-N 3.31Å; I778-G780 PolarHBondContact O-N 2.88Å; G780-M783 PolarHBondContact O-N 3Å; G780-R784 WeakPolarHBondContact O-CB 3.29Å; G780-R784 WeakPolarHBondContact O-CG 3.07Å; G780-R784 PolarHBondContact O-N 3.49Å; G780-R784 PolarHBondContact O-NE 3.49Å |
| 781 | Y | 91.1 | Very high | 89.9 | Confident | 141 Ų | 141 | 109 Ų | 109 | 55% | 0.553 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -47.6 | 177.1 | 173.2 | -103.1 | 0 | 0 | 0 | 112.4 | E777 I778 M783 R784 K785 | E777-Y781 WeakPolarHBondContact O-CB 3.47Å; E777-Y781 PolarHBondContact O-N 2.82Å; I778-Y781 PolarHBondContact O-N 3.26Å; Y781-M783 PolarHBondContact O-N 3.26Å; Y781-R784 PolarHBondContact O-N 2.9Å; Y781-K785 PolarHBondContact O-N 3.37Å |
| 782 | L | 89 | Confident | 89.9 | Confident | 94 Ų | 94 | 109.9 Ų | 109.9 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 176.7 | -70.2 | 174.6 | 0 | 0 | 0 | 111.5 | I778 K785 Q786 | I778-L782 HydrophobicContact CG2-CD1 3.84Å; I778-L782 HydrophobicContact CG2-CG 4.28Å; I778-L782 WeakPolarHBondContact O-CB 3.14Å; I778-L782 WeakPolarHBondContact O-CG 3.06Å; I778-L782 PolarHBondContact O-N 2.87Å; L782-K785 PolarHBondContact O-N 2.82Å; L782-Q786 WeakPolarHBondContact O-CB 3.18Å; L782-Q786 PolarHBondContact O-N 3.41Å |
| 783 | M | 91.1 | Very high | 90 | Very high | 125 Ų | 125 | 111.1 Ų | 111.1 | 62% | 0.616 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.6 | -40.3 | 175.8 | -71.9 | -67 | 164.6 | 0 | 0 | 112.2 | R779 G780 Y781 K785 Q786 Y787 | R779-M783 VanDerWaalsContact O-CB 3.31Å; R779-M783 WeakPolarHBondContact O-CB 3.05Å; R779-M783 WeakPolarHBondContact O-CG 3.36Å; R779-M783 PolarHBondContact O-N 3.49Å; G780-M783 PolarHBondContact O-N 3Å; Y781-M783 PolarHBondContact O-N 3.26Å; M783-K785 VanDerWaalsContact C-N 3.35Å; M783-K785 PolarHBondContact O-N 2.86Å; M783-Q786 PolarHBondContact O-N 2.94Å; M783-Y787 WeakPolarHBondContact O-CB 3.02Å; M783-Y787 PolarHBondContact O-N 2.83Å |
| 784 | R | 91.5 | Very high | 90.1 | Very high | 142 Ų | 142 | 113.7 Ų | 113.7 | 54% | 0.536 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 172.6 | -75.7 | 173.8 | -73 | -143.2 | 4 | 111.4 | E777 G780 Y781 K788 | E777-R784 IonicContact OE2-CZ 2.6Å; E777-R784 IonicContact OE2-NH1 3.15Å; E777-R784 IonicContact OE2-NH2 3.98Å; E777-R784 PolarHBondContact OE2-NH2 2.87Å; G780-R784 WeakPolarHBondContact O-CB 3.29Å; G780-R784 WeakPolarHBondContact O-CG 3.07Å; G780-R784 PolarHBondContact O-N 3.49Å; G780-R784 PolarHBondContact O-NE 3.49Å; Y781-R784 PolarHBondContact O-N 2.9Å; R784-K788 PolarHBondContact O-N 2.83Å |
| 785 | K | 86.9 | Confident | 90.1 | Very high | 137 Ų | 137 | 111.2 Ų | 111.2 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.7 | -43.7 | 176.4 | -173.6 | 174.3 | -178.6 | 174.2 | 0 | 112.8 | Y781 L782 M783 K788 K789 | Y781-K785 PolarHBondContact O-N 3.37Å; L782-K785 PolarHBondContact O-N 2.82Å; M783-K785 VanDerWaalsContact C-N 3.35Å; M783-K785 PolarHBondContact O-N 2.86Å; K785-K788 PolarHBondContact O-N 3Å; K785-K789 PolarHBondContact O-N 3.31Å |
| 786 | Q | 90.7 | Very high | 90.2 | Very high | 111 Ų | 111 | 109.4 Ų | 109.4 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 176.5 | -175.6 | 172.4 | -4.6 | 0 | 0 | 111.7 | L782 M783 K789 L790 | L782-Q786 WeakPolarHBondContact O-CB 3.18Å; L782-Q786 PolarHBondContact O-N 3.41Å; M783-Q786 PolarHBondContact O-N 2.94Å; Q786-K789 PolarHBondContact O-N 2.85Å; Q786-L790 HydrophobicContact CG-CD1 4.27Å; Q786-L790 WeakPolarHBondContact O-CG 3.36Å; Q786-L790 PolarHBondContact O-N 3.31Å |
| 787 | Y | 90.7 | Very high | 90.2 | Very high | 152 Ų | 152 | 111.1 Ų | 111.1 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 175.2 | -176.9 | -89.6 | 0 | 0 | 0 | 111.8 | M783 K789 L790 Q791 | M783-Y787 WeakPolarHBondContact O-CB 3.02Å; M783-Y787 PolarHBondContact O-N 2.83Å; Y787-K789 PolarHBondContact O-N 2.97Å; Y787-L790 CarbonylContact O-C 3.6Å; Y787-L790 PolarHBondContact O-N 2.84Å; Y787-L790 VanDerWaalsContact O-N 3.11Å; Y787-Q791 WeakPolarHBondContact O-CB 3.49Å; Y787-Q791 PolarHBondContact O-N 2.79Å |
| 788 | K | 89.7 | Confident | 90.2 | Very high | 134 Ų | 134 | 109.4 Ų | 109.4 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.9 | -47.7 | 174.2 | -175.4 | 173.2 | 178.9 | 178.3 | 0 | 111.4 | R784 K785 L790 Q791 D792 | R784-K788 PolarHBondContact O-N 2.83Å; K785-K788 PolarHBondContact O-N 3Å; K788-L790 VanDerWaalsContact C-N 3.3Å; K788-L790 PolarHBondContact O-N 2.88Å; K788-Q791 WeakPolarHBondContact O-CB 3.33Å; K788-Q791 PolarHBondContact O-N 3.06Å; K788-Q791 VanDerWaalsContact O-N 3.1Å; K788-D792 VanDerWaalsContact O-CG 3.24Å; K788-D792 PolarHBondContact O-N 3.47Å |
| 789 | K | 88.8 | Confident | 90.1 | Very high | 140 Ų | 140 | 109.8 Ų | 109.8 | 61% | 0.609 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.8 | -40.6 | 175.3 | -174.1 | 178.4 | 179.3 | -179.3 | 0 | 112.5 | K785 Q786 Y787 Q793 | K785-K789 PolarHBondContact O-N 3.31Å; Q786-K789 PolarHBondContact O-N 2.85Å; Y787-K789 PolarHBondContact O-N 2.97Å; K789-Q793 VanDerWaalsContact O-CB 3.32Å; K789-Q793 WeakPolarHBondContact O-CB 3.24Å; K789-Q793 VanDerWaalsContact O-CG 3.23Å; K789-Q793 WeakPolarHBondContact O-CG 2.82Å; K789-Q793 PolarHBondContact O-N 2.94Å |
| 790 | L | 90.7 | Very high | 90 | Very high | 92 Ų | 92 | 107.9 Ų | 107.9 | 48% | 0.482 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.5 | -34.3 | 176.4 | -69.9 | 167.9 | 0 | 0 | 0 | 112.7 | Q786 Y787 K788 R794 | Q786-L790 HydrophobicContact CG-CD1 4.27Å; Q786-L790 WeakPolarHBondContact O-CG 3.36Å; Q786-L790 PolarHBondContact O-N 3.31Å; Y787-L790 CarbonylContact O-C 3.6Å; Y787-L790 PolarHBondContact O-N 2.84Å; Y787-L790 VanDerWaalsContact O-N 3.11Å; K788-L790 VanDerWaalsContact C-N 3.3Å; K788-L790 PolarHBondContact O-N 2.88Å; L790-R794 WeakPolarHBondContact O-CB 3.25Å; L790-R794 PolarHBondContact O-N 2.92Å |
| 791 | Q | 90.3 | Very high | 89.9 | Confident | 101 Ų | 101 | 110.3 Ų | 110.3 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.9 | -47.8 | 174.2 | 180 | 178.3 | -1.7 | 0 | 0 | 111 | Y787 K788 Q793 R794 V795 | Y787-Q791 WeakPolarHBondContact O-CB 3.49Å; Y787-Q791 PolarHBondContact O-N 2.79Å; K788-Q791 WeakPolarHBondContact O-CB 3.33Å; K788-Q791 PolarHBondContact O-N 3.06Å; K788-Q791 VanDerWaalsContact O-N 3.1Å; Q791-Q793 VanDerWaalsContact C-N 3.35Å; Q791-Q793 PolarHBondContact O-N 2.71Å; Q791-R794 WeakPolarHBondContact O-CB 3.36Å; Q791-R794 PolarHBondContact O-N 3.27Å; Q791-R794 VanDerWaalsContact O-N 3.1Å; Q791-V795 WeakPolarHBondContact O-CG2 3.44Å; Q791-V795 PolarHBondContact O-N 3.33Å |
| 792 | D | 88.4 | Confident | 90 | Very high | 87 Ų | 87 | 110.9 Ų | 110.9 | 47% | 0.465 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 176.1 | -62 | -29.9 | 0 | 0 | 0 | 110.6 | K788 R794 V795 A796 | K788-D792 VanDerWaalsContact O-CG 3.24Å; K788-D792 PolarHBondContact O-N 3.47Å; D792-R794 VanDerWaalsContact C-N 3.34Å; D792-R794 PolarHBondContact O-N 2.9Å; D792-V795 PolarHBondContact O-N 2.88Å; D792-A796 WeakPolarHBondContact O-CB 3.39Å; D792-A796 PolarHBondContact O-N 2.93Å |
| 793 | Q | 89.6 | Confident | 90.1 | Very high | 100 Ų | 100 | 110.9 Ų | 110.9 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.1 | -38.6 | 172 | -78.2 | 177.5 | -25 | 0 | 0 | 112.8 | K789 Q791 L797 | K789-Q793 VanDerWaalsContact O-CB 3.32Å; K789-Q793 WeakPolarHBondContact O-CB 3.24Å; K789-Q793 VanDerWaalsContact O-CG 3.23Å; K789-Q793 WeakPolarHBondContact O-CG 2.82Å; K789-Q793 PolarHBondContact O-N 2.94Å; Q791-Q793 VanDerWaalsContact C-N 3.35Å; Q791-Q793 PolarHBondContact O-N 2.71Å; Q793-L797 WeakPolarHBondContact O-CB 3.43Å; Q793-L797 PolarHBondContact O-N 3.1Å |
| 794 | R | 91.5 | Very high | 90.1 | Very high | 185 Ų | 185 | 109.7 Ų | 109.7 | 70% | 0.698 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.3 | -39.8 | 176.1 | -178 | -179.3 | 175.8 | -171.2 | -1.3 | 112 | L790 Q791 D792 T798 | L790-R794 WeakPolarHBondContact O-CB 3.25Å; L790-R794 PolarHBondContact O-N 2.92Å; Q791-R794 WeakPolarHBondContact O-CB 3.36Å; Q791-R794 PolarHBondContact O-N 3.27Å; Q791-R794 VanDerWaalsContact O-N 3.1Å; D792-R794 VanDerWaalsContact C-N 3.34Å; D792-R794 PolarHBondContact O-N 2.9Å; R794-T798 WeakPolarHBondContact O-CB 3.23Å; R794-T798 PolarHBondContact O-N 3.38Å; R794-T798 PolarHBondContact O-OG1 2.89Å |
| 795 | V | 89.5 | Confident | 90.2 | Very high | 83 Ų | 83 | 110.4 Ų | 110.4 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -48.4 | 174.8 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | Q791 D792 L797 T798 L799 | Q791-V795 WeakPolarHBondContact O-CG2 3.44Å; Q791-V795 PolarHBondContact O-N 3.33Å; D792-V795 PolarHBondContact O-N 2.88Å; V795-L797 PolarHBondContact O-N 3.47Å; V795-T798 PolarHBondContact O-N 3.32Å; V795-T798 VanDerWaalsContact O-N 3.16Å; V795-L799 HydrophobicContact CG1-CD1 4.28Å; V795-L799 PolarHBondContact O-N 2.96Å |
| 796 | A | 88.7 | Confident | 90.3 | Very high | 44 Ų | 44 | 110.7 Ų | 110.7 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59 | -45.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D792 T798 L799 M800 | D792-A796 WeakPolarHBondContact O-CB 3.39Å; D792-A796 PolarHBondContact O-N 2.93Å; A796-T798 VanDerWaalsContact C-N 3.31Å; A796-T798 PolarHBondContact O-N 3.45Å; A796-L799 PolarHBondContact O-N 3.46Å; A796-M800 WeakPolarHBondContact O-CG 3.12Å; A796-M800 PolarHBondContact O-N 3.05Å |
| 797 | L | 91.3 | Very high | 90.2 | Very high | 93 Ų | 93 | 111.6 Ų | 111.6 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 175.9 | -179.4 | 64 | 0 | 0 | 0 | 111.9 | Q793 V795 M800 Q801 | Q793-L797 WeakPolarHBondContact O-CB 3.43Å; Q793-L797 PolarHBondContact O-N 3.1Å; V795-L797 PolarHBondContact O-N 3.47Å; L797-M800 PolarHBondContact O-N 3.39Å; L797-Q801 WeakPolarHBondContact O-CB 3.48Å; L797-Q801 VanDerWaalsContact O-CG 3.29Å; L797-Q801 WeakPolarHBondContact O-CG 3.12Å; L797-Q801 PolarHBondContact O-N 3.48Å |
| 798 | T | 90.9 | Very high | 90.1 | Very high | 83 Ų | 83 | 108 Ų | 108 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 177.4 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | R794 V795 A796 Q801 R802 | R794-T798 WeakPolarHBondContact O-CB 3.23Å; R794-T798 PolarHBondContact O-N 3.38Å; R794-T798 PolarHBondContact O-OG1 2.89Å; V795-T798 PolarHBondContact O-N 3.32Å; V795-T798 VanDerWaalsContact O-N 3.16Å; A796-T798 VanDerWaalsContact C-N 3.31Å; A796-T798 PolarHBondContact O-N 3.45Å; T798-Q801 PolarHBondContact O-N 2.99Å; T798-R802 WeakPolarHBondContact O-CB 3.17Å; T798-R802 PolarHBondContact O-N 2.96Å |
| 799 | L | 88.5 | Confident | 90.1 | Very high | 78 Ų | 78 | 106.7 Ų | 106.7 | 41% | 0.408 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 172.5 | -77.5 | 163.3 | 0 | 0 | 0 | 112.1 | V795 A796 R802 N803 | V795-L799 HydrophobicContact CG1-CD1 4.28Å; V795-L799 PolarHBondContact O-N 2.96Å; A796-L799 PolarHBondContact O-N 3.46Å; L799-R802 WeakPolarHBondContact O-CB 3.01Å; L799-R802 PolarHBondContact O-N 3.18Å; L799-N803 PolarHBondContact O-N 2.57Å |
| 800 | M | 89.3 | Confident | 90.1 | Very high | 119 Ų | 119 | 102.7 Ų | 102.7 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.3 | -46.6 | 175.1 | -72.5 | 177.5 | 178.6 | 0 | 0 | 111.4 | A796 L797 R802 N803 I804 | A796-M800 WeakPolarHBondContact O-CG 3.12Å; A796-M800 PolarHBondContact O-N 3.05Å; L797-M800 PolarHBondContact O-N 3.39Å; M800-R802 VanDerWaalsContact C-N 3.33Å; M800-R802 PolarHBondContact O-N 2.98Å; M800-N803 PolarHBondContact O-N 3.28Å; M800-I804 WeakPolarHBondContact O-CB 3.35Å; M800-I804 VanDerWaalsContact O-CG1 3.25Å; M800-I804 WeakPolarHBondContact O-CG1 2.93Å; M800-I804 PolarHBondContact O-N 3.31Å |
| 801 | Q | 90.6 | Very high | 89.8 | Confident | 75 Ų | 75 | 104 Ų | 104 | 35% | 0.35 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 175.2 | -75.6 | -178 | 21.3 | 0 | 0 | 112.2 | L797 T798 I804 R805 | L797-Q801 WeakPolarHBondContact O-CB 3.48Å; L797-Q801 VanDerWaalsContact O-CG 3.29Å; L797-Q801 WeakPolarHBondContact O-CG 3.12Å; L797-Q801 PolarHBondContact O-N 3.48Å; T798-Q801 PolarHBondContact O-N 2.99Å; Q801-I804 PolarHBondContact O-N 2.79Å; Q801-R805 WeakPolarHBondContact O-CB 3.35Å; Q801-R805 VanDerWaalsContact O-CG 3.25Å; Q801-R805 WeakPolarHBondContact O-CG 3.29Å; Q801-R805 PolarHBondContact O-N 2.95Å |
| 802 | R | 92.1 | Very high | 89.6 | Confident | 153 Ų | 153 | 104 Ų | 104 | 58% | 0.577 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.5 | -45.6 | 175.7 | -170.7 | -179.9 | 74.4 | 172.3 | 2.7 | 111.4 | T798 L799 M800 R805 K806 | T798-R802 WeakPolarHBondContact O-CB 3.17Å; T798-R802 PolarHBondContact O-N 2.96Å; L799-R802 WeakPolarHBondContact O-CB 3.01Å; L799-R802 PolarHBondContact O-N 3.18Å; M800-R802 VanDerWaalsContact C-N 3.33Å; M800-R802 PolarHBondContact O-N 2.98Å; R802-R805 PolarHBondContact O-N 3.22Å; R802-K806 PolarHBondContact O-N 3.07Å; R802-K806 VanDerWaalsContact O-N 3.08Å |
| 803 | N | 92.1 | Very high | 89.7 | Confident | 95 Ų | 95 | 106.4 Ų | 106.4 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.4 | -41.9 | -179.9 | -69.1 | -4.2 | 0 | 0 | 0 | 111.9 | L799 M800 K806 Y807 | L799-N803 PolarHBondContact O-N 2.57Å; M800-N803 PolarHBondContact O-N 3.28Å; N803-K806 PolarHBondContact O-N 3.02Å; N803-Y807 WeakPolarHBondContact O-CB 3.06Å; N803-Y807 PolarHBondContact O-N 3.49Å |
| 804 | I | 91.2 | Very high | 89.6 | Confident | 99 Ų | 99 | 106.3 Ų | 106.3 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 174.9 | -69.1 | 163.7 | 0 | 0 | 0 | 110.7 | M800 Q801 K806 Y807 L808 | M800-I804 WeakPolarHBondContact O-CB 3.35Å; M800-I804 VanDerWaalsContact O-CG1 3.25Å; M800-I804 WeakPolarHBondContact O-CG1 2.93Å; M800-I804 PolarHBondContact O-N 3.31Å; Q801-I804 PolarHBondContact O-N 2.79Å; I804-K806 PolarHBondContact O-N 2.95Å; I804-Y807 PolarHBondContact O-N 3.27Å; I804-L808 HydrophobicContact CG2-CD1 4.04Å; I804-L808 HydrophobicContact CG2-CG 4.39Å; I804-L808 VanDerWaalsContact O-CG 3.31Å; I804-L808 WeakPolarHBondContact O-CG 3.5Å; I804-L808 PolarHBondContact O-N 3.17Å |
| 805 | R | 91.7 | Very high | 89.5 | Confident | 158 Ų | 158 | 105.6 Ų | 105.6 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.9 | -44.2 | 175.5 | -72.5 | 172.7 | -166.9 | 155.4 | 11.5 | 111.8 | Q801 R802 V809 | Q801-R805 WeakPolarHBondContact O-CB 3.35Å; Q801-R805 VanDerWaalsContact O-CG 3.25Å; Q801-R805 WeakPolarHBondContact O-CG 3.29Å; Q801-R805 PolarHBondContact O-N 2.95Å; R802-R805 PolarHBondContact O-N 3.22Å; R805-V809 PolarHBondContact O-N 3.18Å |
| 806 | K | 89.5 | Confident | 89.3 | Confident | 142 Ų | 142 | 105.6 Ų | 105.6 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66 | -40.7 | 175.4 | -72.9 | -73.2 | -173.8 | 174.9 | 0 | 112.3 | R802 N803 I804 V809 L810 | R802-K806 PolarHBondContact O-N 3.07Å; R802-K806 VanDerWaalsContact O-N 3.08Å; N803-K806 PolarHBondContact O-N 3.02Å; I804-K806 PolarHBondContact O-N 2.95Å; K806-V809 PolarHBondContact O-N 2.94Å; K806-L810 WeakPolarHBondContact O-CG 2.86Å; K806-L810 PolarHBondContact O-N 2.91Å |
| 807 | Y | 89.3 | Confident | 89.1 | Confident | 130 Ų | 130 | 110.6 Ų | 110.6 | 51% | 0.51 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 176.4 | 175.7 | -110.8 | 0 | 0 | 0 | 112.9 | N803 I804 V809 L810 R811 | N803-Y807 WeakPolarHBondContact O-CB 3.06Å; N803-Y807 PolarHBondContact O-N 3.49Å; I804-Y807 PolarHBondContact O-N 3.27Å; Y807-V809 PolarHBondContact O-N 2.79Å; Y807-L810 PolarHBondContact O-N 3.12Å; Y807-R811 HydrophobicContact CE2-CB 4.32Å; Y807-R811 WeakPolarHBondContact O-CB 3.3Å; Y807-R811 WeakPolarHBondContact O-CG 3.18Å; Y807-R811 PolarHBondContact O-N 3.44Å |
| 808 | L | 89.4 | Confident | 88.9 | Confident | 78 Ų | 78 | 110.5 Ų | 110.5 | 41% | 0.408 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -31.1 | 176.7 | -73.6 | 171 | 0 | 0 | 0 | 113 | I804 | I804-L808 HydrophobicContact CG2-CD1 4.04Å; I804-L808 HydrophobicContact CG2-CG 4.39Å; I804-L808 VanDerWaalsContact O-CG 3.31Å; I804-L808 WeakPolarHBondContact O-CG 3.5Å; I804-L808 PolarHBondContact O-N 3.17Å |
| 809 | V | 88.5 | Confident | 88.7 | Confident | 106 Ų | 106 | 112 Ų | 112 | 64% | 0.642 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -74.6 | -52.9 | 169.9 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | R805 K806 Y807 R811 N812 | R805-V809 PolarHBondContact O-N 3.18Å; K806-V809 PolarHBondContact O-N 2.94Å; Y807-V809 PolarHBondContact O-N 2.79Å; V809-R811 PolarHBondContact O-N 3.19Å; V809-N812 PolarHBondContact O-N 2.98Å |
| 810 | L | 88.2 | Confident | 88.6 | Confident | 55 Ų | 55 | 111.5 Ų | 111.5 | 29% | 0.288 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | -173.2 | -73.4 | 169.4 | 0 | 0 | 0 | 113.8 | K806 Y807 N812 W813 W816 | K806-L810 WeakPolarHBondContact O-CG 2.86Å; K806-L810 PolarHBondContact O-N 2.91Å; Y807-L810 PolarHBondContact O-N 3.12Å; L810-N812 PolarHBondContact O-N 3.18Å; L810-W813 HydrophobicContact CD2-CE3 3.85Å; L810-W813 HydrophobicContact CD2-CZ3 4.31Å; L810-W813 WeakPolarHBondContact O-CB 3.39Å; L810-W813 PolarHBondContact O-N 3.28Å; L810-W816 HydrophobicContact CB-CD2 4.19Å; L810-W816 HydrophobicContact CB-CE3 4.49Å; L810-W816 HydrophobicContact CB-CG 4.31Å; L810-W816 HydrophobicContact CD1-CZ3 4.46Å; L810-W816 HydrophobicContact CD2-CE3 4.38Å; L810-W816 WeakPolarHBondContact O-CB 3.17Å |
| 811 | R | 86.1 | Confident | 88.4 | Confident | 119 Ų | 119 | 113.7 Ų | 113.7 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.1 | -178.8 | 71.6 | 179 | -173.4 | 161.5 | 2.4 | 114.4 | Y807 V809 R817 | Y807-R811 HydrophobicContact CE2-CB 4.32Å; Y807-R811 WeakPolarHBondContact O-CB 3.3Å; Y807-R811 WeakPolarHBondContact O-CG 3.18Å; Y807-R811 PolarHBondContact O-N 3.44Å; V809-R811 PolarHBondContact O-N 3.19Å; R811-R817 PolarHBondContact O-NE 3.28Å |
| 812 | N | 85.8 | Confident | 88.3 | Confident | 101 Ų | 101 | 113.1 Ų | 113.1 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -11.9 | 178.6 | -73.6 | -9.8 | 0 | 0 | 0 | 113.2 | V809 L810 | V809-N812 PolarHBondContact O-N 2.98Å; L810-N812 PolarHBondContact O-N 3.18Å |
| 813 | W | 89.5 | Confident | 87.8 | Confident | 139 Ų | 139 | 111.7 Ų | 111.7 | 53% | 0.527 | 51% | 0.511 | S | S | . | . | trans | -74.8 | 126.5 | -179.2 | -167.8 | 40.8 | 0 | 0 | 0 | 110.7 | L810 W815 W816 R817 | L810-W813 HydrophobicContact CD2-CE3 3.85Å; L810-W813 HydrophobicContact CD2-CZ3 4.31Å; L810-W813 WeakPolarHBondContact O-CB 3.39Å; L810-W813 PolarHBondContact O-N 3.28Å; W813-W815 VanDerWaalsContact C-N 3.3Å; W813-W815 HydrophobicContact CD2-CB 3.92Å; W813-W815 AromaticContact CE2-CD1 3.82Å; W813-W815 HydrophobicContact CE3-CB 4.03Å; W813-W815 HydrophobicContact CH2-CB 4.07Å; W813-W815 HydrophobicContact CZ2-CB 3.96Å; W813-W815 AromaticContact CZ2-CD1 3.84Å; W813-W815 HydrophobicContact CZ2-CG 4.17Å; W813-W815 HydrophobicContact CZ3-CB 4.1Å; W813-W815 AromaticContact NE1-CD1 3.85Å; W813-W815 PolarHBondContact O-N 3.44Å; W813-W816 HydrophobicContact CB-CB 4.27Å; W813-W816 HydrophobicContact CE3-CB 4.35Å; W813-W816 WeakPolarHBondContact O-CB 3.5Å; W813-W816 PolarHBondContact O-N 3.24Å; W813-R817 PolarHBondContact O-N 3.49Å | ||
| 814 | P | 87.2 | Confident | 87.2 | Confident | 97 Ų | 97 | 111.2 Ų | 111.2 | 63% | 0.63 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.2 | -39.4 | -176.8 | -28.4 | 36.5 | 0 | 0 | 0 | 113.7 | W816 R817 L818 | P814-W816 VanDerWaalsContact C-N 3.29Å; P814-W816 PolarHBondContact O-N 3.13Å; P814-R817 PolarHBondContact O-N 2.98Å; P814-R817 VanDerWaalsContact O-N 3.13Å; P814-L818 PolarHBondContact O-N 3.29Å; P814-L818 VanDerWaalsContact O-N 3.11Å |
| 815 | W | 89.1 | Confident | 86.8 | Confident | 171 Ų | 171 | 114 Ų | 114 | 65% | 0.648 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.6 | -33.6 | 176.4 | -72.9 | 108.1 | 0 | 0 | 0 | 113.2 | W813 L818 Y819 | W813-W815 VanDerWaalsContact C-N 3.3Å; W813-W815 HydrophobicContact CD2-CB 3.92Å; W813-W815 AromaticContact CE2-CD1 3.82Å; W813-W815 HydrophobicContact CE3-CB 4.03Å; W813-W815 HydrophobicContact CH2-CB 4.07Å; W813-W815 HydrophobicContact CZ2-CB 3.96Å; W813-W815 AromaticContact CZ2-CD1 3.84Å; W813-W815 HydrophobicContact CZ2-CG 4.17Å; W813-W815 HydrophobicContact CZ3-CB 4.1Å; W813-W815 AromaticContact NE1-CD1 3.85Å; W813-W815 PolarHBondContact O-N 3.44Å; W815-L818 HydrophobicContact CE3-CD2 4.01Å; W815-L818 HydrophobicContact CZ3-CD2 3.87Å; W815-L818 PolarHBondContact O-N 3.09Å; W815-Y819 VanDerWaalsContact O-CB 3.26Å; W815-Y819 WeakPolarHBondContact O-CB 3.47Å; W815-Y819 PolarHBondContact O-N 2.86Å |
| 816 | W | 86.8 | Confident | 86.3 | Confident | 83 Ų | 83 | 112.8 Ų | 112.8 | 31% | 0.314 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 174.3 | -172.9 | -105.1 | 0 | 0 | 0 | 111.6 | L810 W813 P814 L818 Y819 T820 | L810-W816 HydrophobicContact CB-CD2 4.19Å; L810-W816 HydrophobicContact CB-CE3 4.49Å; L810-W816 HydrophobicContact CB-CG 4.31Å; L810-W816 HydrophobicContact CD1-CZ3 4.46Å; L810-W816 HydrophobicContact CD2-CE3 4.38Å; L810-W816 WeakPolarHBondContact O-CB 3.17Å; W813-W816 HydrophobicContact CB-CB 4.27Å; W813-W816 HydrophobicContact CE3-CB 4.35Å; W813-W816 WeakPolarHBondContact O-CB 3.5Å; W813-W816 PolarHBondContact O-N 3.24Å; P814-W816 VanDerWaalsContact C-N 3.29Å; P814-W816 PolarHBondContact O-N 3.13Å; W816-L818 VanDerWaalsContact C-N 3.3Å; W816-L818 PolarHBondContact O-N 3.49Å; W816-Y819 HydrophobicContact CE3-CD1 4.3Å; W816-Y819 HydrophobicContact CZ3-CD1 4.21Å; W816-Y819 HydrophobicContact CZ3-CE1 4.4Å; W816-Y819 PolarHBondContact O-N 3.18Å; W816-T820 HydrophobicContact CD2-CG2 4.42Å; W816-T820 HydrophobicContact CZ2-CG2 4.37Å; W816-T820 WeakPolarHBondContact O-CG2 3.34Å; W816-T820 PolarHBondContact O-N 3.29Å; W816-T820 PolarHBondContact O-OG1 3.39Å; W816-T820 VanDerWaalsContact O-OG1 3.14Å |
| 817 | R | 84.4 | Confident | 85.9 | Confident | 148 Ų | 148 | 109 Ų | 109 | 56% | 0.558 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69 | -25.6 | 177.9 | -61.2 | -177.8 | -179.6 | -177 | 0.2 | 113.5 | R811 W813 P814 | R811-R817 PolarHBondContact O-NE 3.28Å; W813-R817 PolarHBondContact O-N 3.49Å; P814-R817 PolarHBondContact O-N 2.98Å; P814-R817 VanDerWaalsContact O-N 3.13Å |
| 818 | L | 87.6 | Confident | 85.5 | Confident | 92 Ų | 92 | 108.7 Ų | 108.7 | 48% | 0.482 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -77.3 | -49.1 | 170.3 | -178.3 | 60.3 | 0 | 0 | 0 | 110.6 | P814 W815 W816 T820 K821 V822 | P814-L818 PolarHBondContact O-N 3.29Å; P814-L818 VanDerWaalsContact O-N 3.11Å; W815-L818 HydrophobicContact CE3-CD2 4.01Å; W815-L818 HydrophobicContact CZ3-CD2 3.87Å; W815-L818 PolarHBondContact O-N 3.09Å; W816-L818 VanDerWaalsContact C-N 3.3Å; W816-L818 PolarHBondContact O-N 3.49Å; L818-T820 PolarHBondContact O-N 3.37Å; L818-K821 WeakPolarHBondContact O-CB 3.01Å; L818-K821 PolarHBondContact O-N 3.03Å; L818-V822 HydrophobicContact CD1-CG2 4.13Å; L818-V822 HydrophobicContact CG-CG2 4.42Å; L818-V822 WeakPolarHBondContact O-CG2 3.19Å; L818-V822 PolarHBondContact O-N 2.9Å |
| 819 | Y | 86.3 | Confident | 84.9 | Confident | 113 Ų | 113 | 108.3 Ų | 108.3 | 44% | 0.443 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.5 | -42.8 | 179.6 | 178.2 | -104.2 | 0 | 0 | 0 | 112.7 | W815 W816 K821 V822 K823 | W815-Y819 VanDerWaalsContact O-CB 3.26Å; W815-Y819 WeakPolarHBondContact O-CB 3.47Å; W815-Y819 PolarHBondContact O-N 2.86Å; W816-Y819 HydrophobicContact CE3-CD1 4.3Å; W816-Y819 HydrophobicContact CZ3-CD1 4.21Å; W816-Y819 HydrophobicContact CZ3-CE1 4.4Å; W816-Y819 PolarHBondContact O-N 3.18Å; Y819-K821 VanDerWaalsContact C-N 3.25Å; Y819-K821 PolarHBondContact O-N 3.24Å; Y819-V822 PolarHBondContact O-N 3.26Å; Y819-K823 HydrophobicContact CE1-CD 3.88Å; Y819-K823 VanDerWaalsContact O-CB 3.27Å; Y819-K823 WeakPolarHBondContact O-CB 2.86Å; Y819-K823 PolarHBondContact O-N 3.02Å; Y819-K823 PolarHBondContact OH-NZ 3.04Å |
| 820 | T | 85.2 | Confident | 84.4 | Confident | 69 Ų | 69 | 110.2 Ų | 110.2 | 42% | 0.423 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.9 | -19.7 | 177.2 | 55.9 | 0 | 0 | 0 | 0 | 114.1 | W816 L818 P824 | W816-T820 HydrophobicContact CD2-CG2 4.42Å; W816-T820 HydrophobicContact CZ2-CG2 4.37Å; W816-T820 WeakPolarHBondContact O-CG2 3.34Å; W816-T820 PolarHBondContact O-N 3.29Å; W816-T820 PolarHBondContact O-OG1 3.39Å; W816-T820 VanDerWaalsContact O-OG1 3.14Å; L818-T820 PolarHBondContact O-N 3.37Å; T820-P824 VanDerWaalsContact O-CD 3.3Å; T820-P824 WeakPolarHBondContact O-CD 2.91Å |
| 821 | K | 86.3 | Confident | 84 | Confident | 164 Ų | 164 | 112.2 Ų | 112.2 | 71% | 0.713 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -83.7 | -35.3 | 170.7 | -73.8 | -174.6 | 174.4 | -169.3 | 0 | 113.1 | L818 Y819 | L818-K821 WeakPolarHBondContact O-CB 3.01Å; L818-K821 PolarHBondContact O-N 3.03Å; Y819-K821 VanDerWaalsContact C-N 3.25Å; Y819-K821 PolarHBondContact O-N 3.24Å |
| 822 | V | 87.2 | Confident | 83.8 | Confident | 63 Ų | 63 | 113.1 Ų | 113.1 | 38% | 0.382 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -82.7 | -37.6 | -177.9 | 176.8 | 0 | 0 | 0 | 0 | 112 | L818 Y819 P824 M825 L826 | L818-V822 HydrophobicContact CD1-CG2 4.13Å; L818-V822 HydrophobicContact CG-CG2 4.42Å; L818-V822 WeakPolarHBondContact O-CG2 3.19Å; L818-V822 PolarHBondContact O-N 2.9Å; Y819-V822 PolarHBondContact O-N 3.26Å; V822-P824 VanDerWaalsContact C-CD 3.49Å; V822-M825 WeakPolarHBondContact O-CB 3.35Å; V822-M825 PolarHBondContact O-N 3.36Å; V822-L826 HydrophobicContact CG1-CD1 4.09Å; V822-L826 PolarHBondContact O-N 3.11Å |
| 823 | K | 82.1 | Confident | 83.6 | Confident | 123 Ų | 123 | 113.3 Ų | 113.3 | 54% | 0.535 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -52.9 | -41.8 | -176.6 | -175 | 175.8 | -169.9 | 161.8 | 0 | 114.3 | Y819 M825 L826 | Y819-K823 HydrophobicContact CE1-CD 3.88Å; Y819-K823 VanDerWaalsContact O-CB 3.27Å; Y819-K823 WeakPolarHBondContact O-CB 2.86Å; Y819-K823 PolarHBondContact O-N 3.02Å; Y819-K823 PolarHBondContact OH-NZ 3.04Å; K823-M825 PolarHBondContact O-N 3.42Å; K823-L826 PolarHBondContact O-N 3.31Å |
| 824 | P | 80.6 | Confident | 83.2 | Confident | 85 Ų | 85 | 110.9 Ų | 110.9 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -65.5 | -20.5 | 177.2 | -22.8 | 35.3 | 0 | 0 | 0 | 114.8 | T820 V822 | T820-P824 VanDerWaalsContact O-CD 3.3Å; T820-P824 WeakPolarHBondContact O-CD 2.91Å; V822-P824 VanDerWaalsContact C-CD 3.49Å |
| 825 | M | 82.7 | Confident | 82.9 | Confident | 157 Ų | 157 | 112.9 Ų | 112.9 | 77% | 0.773 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -83.6 | -19.1 | 177.2 | -63.4 | 177.8 | 160.4 | 0 | 0 | 112.8 | V822 K823 N827 | V822-M825 WeakPolarHBondContact O-CB 3.35Å; V822-M825 PolarHBondContact O-N 3.36Å; K823-M825 PolarHBondContact O-N 3.42Å; M825-N827 VanDerWaalsContact C-N 3.29Å; M825-N827 PolarHBondContact O-N 3.35Å |
| 826 | L | 81.4 | Confident | 82.7 | Confident | 134 Ų | 134 | 111 Ų | 111 | 70% | 0.702 | 54% | 0.535 | S | S | * | . | trans | -93.7 | 61.5 | 175.1 | -68.6 | 169.3 | 0 | 0 | 0 | 109.5 | V822 K823 | V822-L826 HydrophobicContact CG1-CD1 4.09Å; V822-L826 PolarHBondContact O-N 3.11Å; K823-L826 PolarHBondContact O-N 3.31Å | ||
| 827 | N | 80.8 | Confident | 82.6 | Confident | 63 Ų | 63 | 111.9 Ų | 111.9 | 34% | 0.337 | 54% | 0.541 | S | S | . | . | trans | -85.6 | -13.8 | -168.5 | 68.8 | -28.9 | 0 | 0 | 0 | 115 | M825 A829 R830 Q831 | M825-N827 VanDerWaalsContact C-N 3.29Å; M825-N827 PolarHBondContact O-N 3.35Å; N827-A829 PolarHBondContact O-N 3.05Å; N827-R830 CarbonylContact O-C 3.53Å; N827-R830 WeakPolarHBondContact O-CA 3.25Å; N827-R830 VanDerWaalsContact O-CB 3.3Å; N827-R830 WeakPolarHBondContact O-CB 3.48Å; N827-R830 PolarHBondContact O-N 2.92Å; N827-Q831 HydrophobicContact CB-CG 4.48Å; N827-Q831 VanDerWaalsContact ND2-CD 3.26Å; N827-Q831 PolarHBondContact ND2-OE1 3.28Å; N827-Q831 VanDerWaalsContact ND2-OE1 3.15Å; N827-Q831 PolarHBondContact O-N 3.33Å | ||
| 828 | I | 81.3 | Confident | 82.5 | Confident | 123 Ų | 123 | 107.1 Ų | 107.1 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -51.6 | -56 | -171.7 | -59.2 | 173.5 | 0 | 0 | 0 | 112.5 | R830 Q831 E832 | I828-R830 PolarHBondContact O-N 2.85Å; I828-Q831 WeakPolarHBondContact O-CA 3.38Å; I828-Q831 WeakPolarHBondContact O-CB 3.05Å; I828-Q831 PolarHBondContact O-N 3.14Å; I828-E832 PolarHBondContact O-N 3.35Å |
| 829 | A | 76.6 | Confident | 82.4 | Confident | 70 Ų | 70 | 105.5 Ų | 105.5 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.9 | -28.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N827 E833 | N827-A829 PolarHBondContact O-N 3.05Å; A829-E833 WeakPolarHBondContact O-CB 3.43Å; A829-E833 PolarHBondContact O-N 3.08Å |
| 830 | R | 76.7 | Confident | 82.2 | Confident | 145 Ų | 145 | 104.4 Ų | 104.4 | 55% | 0.547 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.9 | -35.3 | 173.1 | -156.1 | -170.4 | 105.7 | -177.7 | 7.6 | 111.2 | N827 I828 E833 E834 | N827-R830 CarbonylContact O-C 3.53Å; N827-R830 WeakPolarHBondContact O-CA 3.25Å; N827-R830 VanDerWaalsContact O-CB 3.3Å; N827-R830 WeakPolarHBondContact O-CB 3.48Å; N827-R830 PolarHBondContact O-N 2.92Å; I828-R830 PolarHBondContact O-N 2.85Å; R830-E833 PolarHBondContact O-N 3.47Å; R830-E834 IonicContact CZ-OE1 3.52Å; R830-E834 IonicContact NE-OE1 3.81Å; R830-E834 PolarHBondContact NE-OE1 3.25Å; R830-E834 IonicContact NE-OE2 3.48Å; R830-E834 IonicContact NH2-OE1 2.75Å; R830-E834 PolarHBondContact NH2-OE1 2.99Å; R830-E834 IonicContact NH2-OE2 3.51Å; R830-E834 WeakPolarHBondContact O-CB 3.17Å; R830-E834 WeakPolarHBondContact O-CG 3.02Å; R830-E834 PolarHBondContact O-N 3.41Å |
| 831 | Q | 81 | Confident | 82.2 | Confident | 97 Ų | 97 | 107.5 Ų | 107.5 | 45% | 0.453 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.1 | -34.1 | 174.9 | -70.3 | -175.5 | -59.9 | 0 | 0 | 111.8 | N827 I828 M835 | N827-Q831 HydrophobicContact CB-CG 4.48Å; N827-Q831 VanDerWaalsContact ND2-CD 3.26Å; N827-Q831 PolarHBondContact ND2-OE1 3.28Å; N827-Q831 VanDerWaalsContact ND2-OE1 3.15Å; N827-Q831 PolarHBondContact O-N 3.33Å; I828-Q831 WeakPolarHBondContact O-CA 3.38Å; I828-Q831 WeakPolarHBondContact O-CB 3.05Å; I828-Q831 PolarHBondContact O-N 3.14Å; Q831-M835 WeakPolarHBondContact O-CB 3.3Å; Q831-M835 WeakPolarHBondContact O-CG 3.4Å; Q831-M835 PolarHBondContact O-N 3.41Å |
| 832 | E | 82.3 | Confident | 82.2 | Confident | 138 Ų | 138 | 104.2 Ų | 104.2 | 65% | 0.645 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.9 | -43.5 | 169.8 | -70.6 | -176 | 130.5 | 0 | 0 | 111.8 | I828 M835 K836 | I828-E832 PolarHBondContact O-N 3.35Å; E832-M835 PolarHBondContact O-N 2.96Å; E832-K836 WeakPolarHBondContact O-CB 3.15Å; E832-K836 PolarHBondContact O-N 3.22Å |
| 833 | E | 80.1 | Confident | 82.1 | Confident | 106 Ų | 106 | 104 Ų | 104 | 50% | 0.495 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 176.2 | -160.8 | -169.6 | 151.4 | 0 | 0 | 112.1 | A829 R830 K836 K837 | A829-E833 WeakPolarHBondContact O-CB 3.43Å; A829-E833 PolarHBondContact O-N 3.08Å; R830-E833 PolarHBondContact O-N 3.47Å; E833-K836 PolarHBondContact O-N 3.46Å; E833-K837 HydrophobicContact CG-CD 4.41Å; E833-K837 WeakPolarHBondContact O-CB 3.32Å; E833-K837 WeakPolarHBondContact O-CG 3.48Å; E833-K837 PolarHBondContact O-N 3.39Å; E833-K837 WeakPolarHBondContact OE1-CE 3.5Å; E833-K837 IonicContact OE1-NZ 2.75Å; E833-K837 PolarHBondContact OE1-NZ 2.85Å |
| 834 | E | 80.9 | Confident | 82.3 | Confident | 87 Ų | 87 | 104.7 Ų | 104.7 | 41% | 0.407 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 173.5 | -76.8 | 171.4 | 165 | 0 | 0 | 111.9 | R830 A838 | R830-E834 IonicContact CZ-OE1 3.52Å; R830-E834 IonicContact NE-OE1 3.81Å; R830-E834 PolarHBondContact NE-OE1 3.25Å; R830-E834 IonicContact NE-OE2 3.48Å; R830-E834 IonicContact NH2-OE1 2.75Å; R830-E834 PolarHBondContact NH2-OE1 2.99Å; R830-E834 IonicContact NH2-OE2 3.51Å; R830-E834 WeakPolarHBondContact O-CB 3.17Å; R830-E834 WeakPolarHBondContact O-CG 3.02Å; R830-E834 PolarHBondContact O-N 3.41Å; E834-A838 WeakPolarHBondContact O-CB 3.29Å; E834-A838 PolarHBondContact O-N 2.92Å |
| 835 | M | 81.6 | Confident | 82.4 | Confident | 139 Ų | 139 | 106.2 Ų | 106.2 | 69% | 0.685 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.4 | -39.5 | 174 | -81.4 | -69.5 | -63.5 | 0 | 0 | 111.9 | Q831 E832 A839 | Q831-M835 WeakPolarHBondContact O-CB 3.3Å; Q831-M835 WeakPolarHBondContact O-CG 3.4Å; Q831-M835 PolarHBondContact O-N 3.41Å; E832-M835 PolarHBondContact O-N 2.96Å; M835-A839 VanDerWaalsContact O-CB 3.31Å; M835-A839 WeakPolarHBondContact O-CB 3.33Å; M835-A839 PolarHBondContact O-N 3.49Å |
| 836 | K | 85.1 | Confident | 82.6 | Confident | 133 Ų | 133 | 104.6 Ų | 104.6 | 58% | 0.578 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.5 | -45.5 | 176.2 | -164.9 | -176.9 | -174.7 | -103.2 | 0 | 111 | E832 E833 A839 E840 | E832-K836 WeakPolarHBondContact O-CB 3.15Å; E832-K836 PolarHBondContact O-N 3.22Å; E833-K836 PolarHBondContact O-N 3.46Å; K836-A839 WeakPolarHBondContact O-CB 3.35Å; K836-A839 PolarHBondContact O-N 2.83Å; K836-A839 VanDerWaalsContact O-N 3.17Å; K836-E840 WeakPolarHBondContact CE-OE1 3.39Å; K836-E840 IonicContact NZ-OE1 2.69Å; K836-E840 PolarHBondContact NZ-OE1 3.27Å; K836-E840 WeakPolarHBondContact O-CG 3.49Å; K836-E840 PolarHBondContact O-N 3.25Å |
| 837 | K | 83.6 | Confident | 82.6 | Confident | 100 Ų | 100 | 102.9 Ų | 102.9 | 44% | 0.435 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 174.7 | -76.2 | 171.3 | 175.3 | 171.8 | 0 | 111.9 | E833 A839 E840 E841 | E833-K837 HydrophobicContact CG-CD 4.41Å; E833-K837 WeakPolarHBondContact O-CB 3.32Å; E833-K837 WeakPolarHBondContact O-CG 3.48Å; E833-K837 PolarHBondContact O-N 3.39Å; E833-K837 WeakPolarHBondContact OE1-CE 3.5Å; E833-K837 IonicContact OE1-NZ 2.75Å; E833-K837 PolarHBondContact OE1-NZ 2.85Å; K837-A839 VanDerWaalsContact C-N 3.28Å; K837-A839 PolarHBondContact O-N 3.16Å; K837-E840 PolarHBondContact O-N 2.72Å; K837-E841 VanDerWaalsContact O-CB 3.31Å; K837-E841 WeakPolarHBondContact O-CB 3.49Å; K837-E841 WeakPolarHBondContact O-CG 3.36Å; K837-E841 PolarHBondContact O-N 2.97Å |
| 838 | A | 83.5 | Confident | 82.7 | Confident | 48 Ų | 48 | 104.8 Ų | 104.8 | 40% | 0.397 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.7 | -32.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | E834 L842 | E834-A838 WeakPolarHBondContact O-CB 3.29Å; E834-A838 PolarHBondContact O-N 2.92Å; A838-L842 WeakPolarHBondContact O-CB 3.27Å; A838-L842 PolarHBondContact O-N 3Å |
| 839 | A | 85.4 | Confident | 82.8 | Confident | 58 Ų | 58 | 106.3 Ų | 106.3 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.6 | -39.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M835 K836 K837 A843 | M835-A839 VanDerWaalsContact O-CB 3.31Å; M835-A839 WeakPolarHBondContact O-CB 3.33Å; M835-A839 PolarHBondContact O-N 3.49Å; K836-A839 WeakPolarHBondContact O-CB 3.35Å; K836-A839 PolarHBondContact O-N 2.83Å; K836-A839 VanDerWaalsContact O-N 3.17Å; K837-A839 VanDerWaalsContact C-N 3.28Å; K837-A839 PolarHBondContact O-N 3.16Å; A839-A843 VanDerWaalsContact O-CB 3.26Å; A839-A843 WeakPolarHBondContact O-CB 3.36Å; A839-A843 PolarHBondContact O-N 2.9Å |
| 840 | E | 82.9 | Confident | 83.2 | Confident | 90 Ų | 90 | 107.4 Ų | 107.4 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.9 | -41.8 | 174.3 | -71.2 | 169.2 | -171.9 | 0 | 0 | 111.9 | K836 K837 A843 K844 | K836-E840 WeakPolarHBondContact CE-OE1 3.39Å; K836-E840 IonicContact NZ-OE1 2.69Å; K836-E840 PolarHBondContact NZ-OE1 3.27Å; K836-E840 WeakPolarHBondContact O-CG 3.49Å; K836-E840 PolarHBondContact O-N 3.25Å; K837-E840 PolarHBondContact O-N 2.72Å; E840-A843 PolarHBondContact O-N 3.48Å; E840-K844 WeakPolarHBondContact O-CG 3.44Å; E840-K844 PolarHBondContact O-N 3Å |
| 841 | E | 84.9 | Confident | 83.4 | Confident | 135 Ų | 135 | 103.3 Ų | 103.3 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.8 | -43.5 | 172.8 | -74.5 | 175.7 | -176.4 | 0 | 0 | 111.3 | K837 A843 K844 L845 | K837-E841 VanDerWaalsContact O-CB 3.31Å; K837-E841 WeakPolarHBondContact O-CB 3.49Å; K837-E841 WeakPolarHBondContact O-CG 3.36Å; K837-E841 PolarHBondContact O-N 2.97Å; E841-A843 VanDerWaalsContact C-N 3.31Å; E841-A843 PolarHBondContact O-N 2.96Å; E841-K844 PolarHBondContact O-N 3.42Å; E841-L845 VanDerWaalsContact O-CB 3.23Å; E841-L845 WeakPolarHBondContact O-CB 3.14Å; E841-L845 PolarHBondContact O-N 3.1Å |
| 842 | L | 85.3 | Confident | 83.4 | Confident | 95 Ų | 95 | 104 Ų | 104 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 174 | -171.9 | 87.7 | 0 | 0 | 0 | 111.5 | A838 K846 | A838-L842 WeakPolarHBondContact O-CB 3.27Å; A838-L842 PolarHBondContact O-N 3Å; L842-K846 WeakPolarHBondContact O-CB 3.44Å; L842-K846 VanDerWaalsContact O-CG 3.27Å; L842-K846 WeakPolarHBondContact O-CG 3.37Å; L842-K846 PolarHBondContact O-N 3.26Å |
| 843 | A | 86.1 | Confident | 83.4 | Confident | 57 Ų | 57 | 100.8 Ų | 100.8 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A839 E840 E841 K846 E847 | A839-A843 VanDerWaalsContact O-CB 3.26Å; A839-A843 WeakPolarHBondContact O-CB 3.36Å; A839-A843 PolarHBondContact O-N 2.9Å; E840-A843 PolarHBondContact O-N 3.48Å; E841-A843 VanDerWaalsContact C-N 3.31Å; E841-A843 PolarHBondContact O-N 2.96Å; A843-K846 PolarHBondContact O-N 3.28Å; A843-E847 PolarHBondContact O-N 2.86Å |
| 844 | K | 84.9 | Confident | 83.7 | Confident | 139 Ų | 139 | 101.1 Ų | 101.1 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.8 | -40.3 | 174.3 | -72.6 | -174.9 | 177 | -169.4 | 0 | 112.4 | E840 E841 E847 E848 | E840-K844 WeakPolarHBondContact O-CG 3.44Å; E840-K844 PolarHBondContact O-N 3Å; E841-K844 PolarHBondContact O-N 3.42Å; K844-E847 CarbonylContact O-C 3.58Å; K844-E847 VanDerWaalsContact O-CA 3.3Å; K844-E847 WeakPolarHBondContact O-CA 3.38Å; K844-E847 PolarHBondContact O-N 2.88Å; K844-E847 VanDerWaalsContact O-N 3.13Å; K844-E848 PolarHBondContact O-N 3.1Å |
| 845 | L | 83.6 | Confident | 83.5 | Confident | 116 Ų | 116 | 100.7 Ų | 100.7 | 61% | 0.607 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.2 | -34.2 | 178.5 | -164.7 | 73.7 | 0 | 0 | 0 | 112.2 | E841 Y849 | E841-L845 VanDerWaalsContact O-CB 3.23Å; E841-L845 WeakPolarHBondContact O-CB 3.14Å; E841-L845 PolarHBondContact O-N 3.1Å; L845-Y849 WeakPolarHBondContact O-CB 3.48Å; L845-Y849 PolarHBondContact O-N 2.81Å |
| 846 | K | 86.7 | Confident | 83.7 | Confident | 123 Ų | 123 | 99.4 Ų | 99.4 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 166.4 | -76.7 | 174.9 | 177 | -176.6 | 0 | 111.3 | L842 A843 E848 Y849 E850 | L842-K846 WeakPolarHBondContact O-CB 3.44Å; L842-K846 VanDerWaalsContact O-CG 3.27Å; L842-K846 WeakPolarHBondContact O-CG 3.37Å; L842-K846 PolarHBondContact O-N 3.26Å; A843-K846 PolarHBondContact O-N 3.28Å; K846-E848 VanDerWaalsContact C-N 3.3Å; K846-E848 PolarHBondContact O-N 3.42Å; K846-Y849 PolarHBondContact O-N 3.31Å; K846-E850 WeakPolarHBondContact O-CB 3.23Å; K846-E850 PolarHBondContact O-N 3.11Å |
| 847 | E | 82 | Confident | 83.7 | Confident | 99 Ų | 99 | 98 Ų | 98 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -44.8 | -54.8 | 171.7 | 176.9 | -50.6 | -166.6 | 0 | 0 | 111.7 | A843 K844 K851 | A843-E847 PolarHBondContact O-N 2.86Å; K844-E847 CarbonylContact O-C 3.58Å; K844-E847 VanDerWaalsContact O-CA 3.3Å; K844-E847 WeakPolarHBondContact O-CA 3.38Å; K844-E847 PolarHBondContact O-N 2.88Å; K844-E847 VanDerWaalsContact O-N 3.13Å; E847-K851 VanDerWaalsContact O-CD 3.25Å; E847-K851 WeakPolarHBondContact O-CD 3.27Å; E847-K851 WeakPolarHBondContact O-CG 3.34Å; E847-K851 PolarHBondContact O-N 3.4Å; E847-K851 WeakPolarHBondContact OE1-CE 3.4Å; E847-K851 IonicContact OE1-NZ 3.23Å; E847-K851 PolarHBondContact OE1-NZ 2.86Å; E847-K851 IonicContact OE2-NZ 2.62Å; E847-K851 PolarHBondContact OE2-NZ 3.39Å |
| 848 | E | 81.9 | Confident | 83.5 | Confident | 102 Ų | 102 | 98 Ų | 98 | 48% | 0.477 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -74.4 | -38 | 178.6 | -66.5 | -173.1 | 154.9 | 0 | 0 | 113.3 | K844 K846 K851 L852 | K844-E848 PolarHBondContact O-N 3.1Å; K846-E848 VanDerWaalsContact C-N 3.3Å; K846-E848 PolarHBondContact O-N 3.42Å; E848-K851 PolarHBondContact O-N 3.34Å; E848-L852 WeakPolarHBondContact O-CB 3.41Å; E848-L852 WeakPolarHBondContact O-CG 3.29Å; E848-L852 PolarHBondContact O-N 2.83Å |
| 849 | Y | 84.7 | Confident | 83.1 | Confident | 155 Ų | 155 | 100.2 Ų | 100.2 | 61% | 0.608 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.3 | -46.3 | 176.1 | -177.1 | -89.7 | 0 | 0 | 0 | 111.8 | L845 K846 K851 L852 E853 | L845-Y849 WeakPolarHBondContact O-CB 3.48Å; L845-Y849 PolarHBondContact O-N 2.81Å; K846-Y849 PolarHBondContact O-N 3.31Å; Y849-K851 VanDerWaalsContact C-N 3.3Å; Y849-K851 PolarHBondContact O-N 2.99Å; Y849-L852 CarbonylContact O-C 3.21Å; Y849-L852 PolarHBondContact O-N 3.11Å; Y849-E853 HydrophobicContact CE1-CB 4.39Å; Y849-E853 WeakPolarHBondContact O-CB 3.4Å; Y849-E853 PolarHBondContact O-N 2.83Å |
| 850 | E | 84.6 | Confident | 83 | Confident | 93 Ų | 93 | 101.7 Ų | 101.7 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -36.8 | 175.6 | -78.4 | -167.5 | -149 | 0 | 0 | 112.2 | K846 E853 K854 | K846-E850 WeakPolarHBondContact O-CB 3.23Å; K846-E850 PolarHBondContact O-N 3.11Å; E850-E853 PolarHBondContact O-N 3.42Å; E850-K854 WeakPolarHBondContact O-CB 3.34Å; E850-K854 WeakPolarHBondContact O-CD 3.49Å; E850-K854 VanDerWaalsContact O-CG 3.26Å; E850-K854 WeakPolarHBondContact O-CG 3.39Å; E850-K854 PolarHBondContact O-N 2.84Å; E850-K854 IonicContact OE2-NZ 2.68Å; E850-K854 PolarHBondContact OE2-NZ 3.14Å |
| 851 | K | 80.1 | Confident | 83 | Confident | 59 Ų | 59 | 103.7 Ų | 103.7 | 26% | 0.257 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 174.7 | -72 | 165.4 | -176.4 | 161.5 | 0 | 111.4 | E847 E848 Y849 L855 | E847-K851 VanDerWaalsContact O-CD 3.25Å; E847-K851 WeakPolarHBondContact O-CD 3.27Å; E847-K851 WeakPolarHBondContact O-CG 3.34Å; E847-K851 PolarHBondContact O-N 3.4Å; E847-K851 WeakPolarHBondContact OE1-CE 3.4Å; E847-K851 IonicContact OE1-NZ 3.23Å; E847-K851 PolarHBondContact OE1-NZ 2.86Å; E847-K851 IonicContact OE2-NZ 2.62Å; E847-K851 PolarHBondContact OE2-NZ 3.39Å; E848-K851 PolarHBondContact O-N 3.34Å; Y849-K851 VanDerWaalsContact C-N 3.3Å; Y849-K851 PolarHBondContact O-N 2.99Å; K851-L855 WeakPolarHBondContact O-CB 3.42Å; K851-L855 PolarHBondContact O-N 2.81Å |
| 852 | L | 80.9 | Confident | 82.7 | Confident | 113 Ų | 113 | 102.1 Ų | 102.1 | 59% | 0.592 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -73.4 | -33.3 | 176 | -71.7 | 170.6 | 0 | 0 | 0 | 112.6 | E848 Y849 K856 | E848-L852 WeakPolarHBondContact O-CB 3.41Å; E848-L852 WeakPolarHBondContact O-CG 3.29Å; E848-L852 PolarHBondContact O-N 2.83Å; Y849-L852 CarbonylContact O-C 3.21Å; Y849-L852 PolarHBondContact O-N 3.11Å; L852-K856 VanDerWaalsContact O-CB 3.23Å; L852-K856 WeakPolarHBondContact O-CB 3.21Å; L852-K856 PolarHBondContact O-N 2.75Å |
| 853 | E | 83.4 | Confident | 82.4 | Confident | 70 Ų | 70 | 102 Ų | 102 | 33% | 0.327 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.8 | -40.7 | 176 | -163 | -161.6 | 143.1 | 0 | 0 | 111.3 | Y849 E850 K856 K857 | Y849-E853 HydrophobicContact CE1-CB 4.39Å; Y849-E853 WeakPolarHBondContact O-CB 3.4Å; Y849-E853 PolarHBondContact O-N 2.83Å; E850-E853 PolarHBondContact O-N 3.42Å; E853-K856 PolarHBondContact O-N 2.87Å; E853-K857 WeakPolarHBondContact O-CG 3.2Å; E853-K857 PolarHBondContact O-N 2.59Å; E853-K857 WeakPolarHBondContact OE1-CE 3.33Å; E853-K857 IonicContact OE1-NZ 2.86Å; E853-K857 PolarHBondContact OE1-NZ 3.38Å |
| 854 | K | 85 | Confident | 82.4 | Confident | 112 Ų | 112 | 103.9 Ų | 103.9 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -50.3 | 171.6 | -74.2 | 161.9 | -176.6 | 151.1 | 0 | 110.6 | E850 K856 K857 E858 | E850-K854 WeakPolarHBondContact O-CB 3.34Å; E850-K854 WeakPolarHBondContact O-CD 3.49Å; E850-K854 VanDerWaalsContact O-CG 3.26Å; E850-K854 WeakPolarHBondContact O-CG 3.39Å; E850-K854 PolarHBondContact O-N 2.84Å; E850-K854 IonicContact OE2-NZ 2.68Å; E850-K854 PolarHBondContact OE2-NZ 3.14Å; K854-K856 VanDerWaalsContact C-N 3.3Å; K854-K856 PolarHBondContact O-N 3.38Å; K854-K857 PolarHBondContact O-N 2.9Å; K854-K857 VanDerWaalsContact O-N 3.1Å; K854-E858 WeakPolarHBondContact O-CG 3.47Å; K854-E858 PolarHBondContact O-N 2.76Å |
| 855 | L | 78.5 | Confident | 82.2 | Confident | 78 Ų | 78 | 100.8 Ų | 100.8 | 41% | 0.408 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.6 | -38 | 174.9 | -177.4 | 63 | 0 | 0 | 0 | 112.6 | K851 L859 | K851-L855 WeakPolarHBondContact O-CB 3.42Å; K851-L855 PolarHBondContact O-N 2.81Å; L855-L859 HydrophobicContact CD1-CD1 4.37Å; L855-L859 HydrophobicContact CD1-CG 4.44Å; L855-L859 HydrophobicContact CG-CD1 4.1Å; L855-L859 WeakPolarHBondContact O-CB 3.2Å; L855-L859 VanDerWaalsContact O-CG 3.24Å; L855-L859 WeakPolarHBondContact O-CG 3.43Å; L855-L859 PolarHBondContact O-N 2.76Å |
| 856 | K | 84.1 | Confident | 81.7 | Confident | 112 Ų | 112 | 99.3 Ų | 99.3 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 174.7 | 179.1 | 178.4 | 174.8 | -71.3 | 0 | 111.6 | L852 E853 K854 L859 E860 | L852-K856 VanDerWaalsContact O-CB 3.23Å; L852-K856 WeakPolarHBondContact O-CB 3.21Å; L852-K856 PolarHBondContact O-N 2.75Å; E853-K856 PolarHBondContact O-N 2.87Å; K854-K856 VanDerWaalsContact C-N 3.3Å; K854-K856 PolarHBondContact O-N 3.38Å; K856-L859 PolarHBondContact O-N 3.49Å; K856-E860 WeakPolarHBondContact CE-OE1 3.27Å; K856-E860 IonicContact NZ-OE1 3.51Å; K856-E860 PolarHBondContact NZ-OE1 2.79Å; K856-E860 IonicContact NZ-OE2 2.72Å; K856-E860 PolarHBondContact NZ-OE2 2.62Å; K856-E860 WeakPolarHBondContact O-CB 3.25Å; K856-E860 WeakPolarHBondContact O-CG 3.42Å; K856-E860 PolarHBondContact O-N 3.03Å |
| 857 | K | 85.8 | Confident | 81.5 | Confident | 104 Ų | 104 | 97.1 Ų | 97.1 | 45% | 0.452 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 176.2 | -77.4 | 167.1 | 169.1 | 168.6 | 0 | 111.7 | E853 K854 L859 E860 E861 | E853-K857 WeakPolarHBondContact O-CG 3.2Å; E853-K857 PolarHBondContact O-N 2.59Å; E853-K857 WeakPolarHBondContact OE1-CE 3.33Å; E853-K857 IonicContact OE1-NZ 2.86Å; E853-K857 PolarHBondContact OE1-NZ 3.38Å; K854-K857 PolarHBondContact O-N 2.9Å; K854-K857 VanDerWaalsContact O-N 3.1Å; K857-L859 VanDerWaalsContact C-N 3.31Å; K857-L859 PolarHBondContact O-N 3.47Å; K857-E860 PolarHBondContact O-N 3.29Å; K857-E860 VanDerWaalsContact O-N 3.13Å; K857-E861 WeakPolarHBondContact O-CB 3.49Å; K857-E861 WeakPolarHBondContact O-CG 3.14Å; K857-E861 PolarHBondContact O-N 3.19Å |
| 858 | E | 79.3 | Confident | 81.5 | Confident | 100 Ų | 100 | 97.1 Ų | 97.1 | 47% | 0.467 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58 | -42.3 | 173.2 | -69.9 | 162.6 | -153.2 | 0 | 0 | 111.6 | K854 Q862 | K854-E858 WeakPolarHBondContact O-CG 3.47Å; K854-E858 PolarHBondContact O-N 2.76Å; E858-Q862 WeakPolarHBondContact O-CB 3.26Å; E858-Q862 VanDerWaalsContact O-CG 3.25Å; E858-Q862 WeakPolarHBondContact O-CG 3.37Å; E858-Q862 PolarHBondContact O-N 2.94Å |
| 859 | L | 75.7 | Confident | 81.3 | Confident | 94 Ų | 94 | 97.5 Ų | 97.5 | 49% | 0.492 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.7 | -32.3 | 174.9 | -72.5 | 169.7 | 0 | 0 | 0 | 113.2 | L855 K856 K857 N863 | L855-L859 HydrophobicContact CD1-CD1 4.37Å; L855-L859 HydrophobicContact CD1-CG 4.44Å; L855-L859 HydrophobicContact CG-CD1 4.1Å; L855-L859 WeakPolarHBondContact O-CB 3.2Å; L855-L859 VanDerWaalsContact O-CG 3.24Å; L855-L859 WeakPolarHBondContact O-CG 3.43Å; L855-L859 PolarHBondContact O-N 2.76Å; K856-L859 PolarHBondContact O-N 3.49Å; K857-L859 VanDerWaalsContact C-N 3.31Å; K857-L859 PolarHBondContact O-N 3.47Å; L859-N863 VanDerWaalsContact O-CB 3.23Å; L859-N863 WeakPolarHBondContact O-CB 3.3Å; L859-N863 PolarHBondContact O-N 3.08Å |
| 860 | E | 82.1 | Confident | 81.1 | Confident | 89 Ų | 89 | 96.6 Ų | 96.6 | 42% | 0.416 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.6 | -39.1 | 173.8 | -78.7 | 174.8 | 145.9 | 0 | 0 | 111.7 | K856 K857 N863 V864 | K856-E860 WeakPolarHBondContact CE-OE1 3.27Å; K856-E860 IonicContact NZ-OE1 3.51Å; K856-E860 PolarHBondContact NZ-OE1 2.79Å; K856-E860 IonicContact NZ-OE2 2.72Å; K856-E860 PolarHBondContact NZ-OE2 2.62Å; K856-E860 WeakPolarHBondContact O-CB 3.25Å; K856-E860 WeakPolarHBondContact O-CG 3.42Å; K856-E860 PolarHBondContact O-N 3.03Å; K857-E860 PolarHBondContact O-N 3.29Å; K857-E860 VanDerWaalsContact O-N 3.13Å; E860-N863 PolarHBondContact O-N 3.46Å; E860-V864 WeakPolarHBondContact O-CB 3.33Å; E860-V864 WeakPolarHBondContact O-CG2 3.15Å; E860-V864 PolarHBondContact O-N 3.46Å |
| 861 | E | 82.6 | Confident | 81 | Confident | 132 Ų | 132 | 96.4 Ų | 96.4 | 62% | 0.617 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.1 | -40.7 | 172.2 | -73.4 | 174.2 | -169.1 | 0 | 0 | 111.9 | K857 V864 T865 | K857-E861 WeakPolarHBondContact O-CB 3.49Å; K857-E861 WeakPolarHBondContact O-CG 3.14Å; K857-E861 PolarHBondContact O-N 3.19Å; E861-V864 PolarHBondContact O-N 2.68Å; E861-T865 WeakPolarHBondContact O-CB 3.36Å; E861-T865 PolarHBondContact O-N 2.86Å; E861-T865 PolarHBondContact O-OG1 3.43Å |
| 862 | Q | 79.8 | Confident | 81.1 | Confident | 103 Ų | 103 | 96.8 Ų | 96.8 | 48% | 0.481 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 170.6 | -74.8 | 173.8 | 24.4 | 0 | 0 | 111.8 | E858 T865 V866 | E858-Q862 WeakPolarHBondContact O-CB 3.26Å; E858-Q862 VanDerWaalsContact O-CG 3.25Å; E858-Q862 WeakPolarHBondContact O-CG 3.37Å; E858-Q862 PolarHBondContact O-N 2.94Å; Q862-T865 WeakPolarHBondContact O-CB 3.17Å; Q862-T865 PolarHBondContact O-N 2.86Å; Q862-V866 WeakPolarHBondContact O-CG2 3.38Å; Q862-V866 PolarHBondContact O-N 2.93Å |
| 863 | N | 79.7 | Confident | 80.8 | Confident | 93 Ų | 93 | 96.6 Ų | 96.6 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 176.6 | -172 | 28.8 | 0 | 0 | 0 | 111.9 | L859 E860 T865 V866 L867 | L859-N863 VanDerWaalsContact O-CB 3.23Å; L859-N863 WeakPolarHBondContact O-CB 3.3Å; L859-N863 PolarHBondContact O-N 3.08Å; E860-N863 PolarHBondContact O-N 3.46Å; N863-T865 VanDerWaalsContact C-N 3.33Å; N863-V866 PolarHBondContact O-N 3.29Å; N863-L867 WeakPolarHBondContact O-CB 3.42Å; N863-L867 VanDerWaalsContact O-CG 3.24Å; N863-L867 WeakPolarHBondContact O-CG 3.28Å; N863-L867 PolarHBondContact O-N 2.92Å |
| 864 | V | 86 | Confident | 80.7 | Confident | 95 Ų | 95 | 99.7 Ų | 99.7 | 58% | 0.576 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.7 | -40 | 171.3 | 168.1 | 0 | 0 | 0 | 0 | 111 | E860 E861 L867 Q868 | E860-V864 WeakPolarHBondContact O-CB 3.33Å; E860-V864 WeakPolarHBondContact O-CG2 3.15Å; E860-V864 PolarHBondContact O-N 3.46Å; E861-V864 PolarHBondContact O-N 2.68Å; V864-L867 PolarHBondContact O-N 3.48Å; V864-Q868 WeakPolarHBondContact O-CB 3.45Å; V864-Q868 PolarHBondContact O-N 3.29Å |
| 865 | T | 80.3 | Confident | 80.6 | Confident | 75 Ų | 75 | 99.2 Ų | 99.2 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | E861 Q862 N863 Q868 Q869 | E861-T865 WeakPolarHBondContact O-CB 3.36Å; E861-T865 PolarHBondContact O-N 2.86Å; E861-T865 PolarHBondContact O-OG1 3.43Å; Q862-T865 WeakPolarHBondContact O-CB 3.17Å; Q862-T865 PolarHBondContact O-N 2.86Å; N863-T865 VanDerWaalsContact C-N 3.33Å; T865-Q868 PolarHBondContact O-N 2.87Å; T865-Q869 WeakPolarHBondContact O-CG 3.5Å; T865-Q869 PolarHBondContact O-N 3.16Å |
| 866 | V | 73.1 | Confident | 80.5 | Confident | 84 Ų | 84 | 100.9 Ų | 100.9 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.3 | -35.5 | 175.5 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | Q862 N863 K870 | Q862-V866 WeakPolarHBondContact O-CG2 3.38Å; Q862-V866 PolarHBondContact O-N 2.93Å; N863-V866 PolarHBondContact O-N 3.29Å; V866-K870 VanDerWaalsContact O-CB 3.31Å; V866-K870 WeakPolarHBondContact O-CB 3.4Å; V866-K870 PolarHBondContact O-N 3.46Å |
| 867 | L | 81.4 | Confident | 80.1 | Confident | 77 Ų | 77 | 99.2 Ų | 99.2 | 40% | 0.403 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.8 | -37 | 172.3 | -75 | 168.7 | 0 | 0 | 0 | 111.8 | N863 V864 K870 N871 | N863-L867 WeakPolarHBondContact O-CB 3.42Å; N863-L867 VanDerWaalsContact O-CG 3.24Å; N863-L867 WeakPolarHBondContact O-CG 3.28Å; N863-L867 PolarHBondContact O-N 2.92Å; V864-L867 PolarHBondContact O-N 3.48Å; L867-K870 WeakPolarHBondContact O-CB 3.31Å; L867-K870 PolarHBondContact O-N 2.87Å; L867-N871 PolarHBondContact O-N 2.97Å; L867-N871 PolarHBondContact O-ND2 2.77Å; L867-N871 PolarHBondContact O-OD1 3.44Å |
| 868 | Q | 82.2 | Confident | 79.9 | Confident | 99 Ų | 99 | 98.6 Ų | 98.6 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -47.8 | 172.9 | -172.2 | 58.3 | 41 | 0 | 0 | 110.8 | V864 T865 K870 N871 D872 | V864-Q868 WeakPolarHBondContact O-CB 3.45Å; V864-Q868 PolarHBondContact O-N 3.29Å; T865-Q868 PolarHBondContact O-N 2.87Å; Q868-K870 PolarHBondContact O-N 2.93Å; Q868-N871 CarbonylContact O-C 3.49Å; Q868-N871 WeakPolarHBondContact O-CA 3.34Å; Q868-N871 WeakPolarHBondContact O-CB 3.23Å; Q868-N871 PolarHBondContact O-N 2.87Å; Q868-D872 PolarHBondContact NE2-OD1 2.87Å; Q868-D872 PolarHBondContact O-N 3.29Å |
| 869 | Q | 78.3 | Confident | 80.1 | Confident | 111 Ų | 111 | 97.3 Ų | 97.3 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.7 | -37 | 173.2 | -72.9 | 173.2 | -4.2 | 0 | 0 | 112.3 | T865 L873 | T865-Q869 WeakPolarHBondContact O-CG 3.5Å; T865-Q869 PolarHBondContact O-N 3.16Å; Q869-L873 VanDerWaalsContact O-CB 3.28Å; Q869-L873 WeakPolarHBondContact O-CB 3.44Å; Q869-L873 VanDerWaalsContact O-CG 3.3Å; Q869-L873 WeakPolarHBondContact O-CG 3.42Å; Q869-L873 PolarHBondContact O-N 3.19Å |
| 870 | K | 80.1 | Confident | 80.1 | Confident | 136 Ų | 136 | 99.1 Ų | 99.1 | 59% | 0.591 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.6 | -39.8 | 172.7 | -177.1 | -170.5 | 172.5 | -169.7 | 0 | 112.2 | V866 L867 Q868 F874 | V866-K870 VanDerWaalsContact O-CB 3.31Å; V866-K870 WeakPolarHBondContact O-CB 3.4Å; V866-K870 PolarHBondContact O-N 3.46Å; L867-K870 WeakPolarHBondContact O-CB 3.31Å; L867-K870 PolarHBondContact O-N 2.87Å; Q868-K870 PolarHBondContact O-N 2.93Å; K870-F874 WeakPolarHBondContact O-CB 3.43Å; K870-F874 PolarHBondContact O-N 3.16Å |
| 871 | N | 83.6 | Confident | 79.9 | Confident | 88 Ų | 88 | 100.3 Ų | 100.3 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 176.1 | -66.6 | -21.4 | 0 | 0 | 0 | 111.4 | L867 Q868 F874 L875 | L867-N871 PolarHBondContact O-N 2.97Å; L867-N871 PolarHBondContact O-ND2 2.77Å; L867-N871 PolarHBondContact O-OD1 3.44Å; Q868-N871 CarbonylContact O-C 3.49Å; Q868-N871 WeakPolarHBondContact O-CA 3.34Å; Q868-N871 WeakPolarHBondContact O-CB 3.23Å; Q868-N871 PolarHBondContact O-N 2.87Å; N871-F874 PolarHBondContact O-N 3.26Å; N871-L875 WeakPolarHBondContact O-CB 3.49Å; N871-L875 PolarHBondContact O-N 2.9Å |
| 872 | D | 81.2 | Confident | 79.9 | Confident | 67 Ų | 67 | 98.7 Ų | 98.7 | 36% | 0.358 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 175.1 | -59.9 | -25.6 | 0 | 0 | 0 | 110.6 | Q868 F874 L875 Q876 | Q868-D872 PolarHBondContact NE2-OD1 2.87Å; Q868-D872 PolarHBondContact O-N 3.29Å; D872-F874 VanDerWaalsContact C-N 3.34Å; D872-L875 PolarHBondContact O-N 2.85Å; D872-Q876 WeakPolarHBondContact O-CB 3.27Å; D872-Q876 VanDerWaalsContact O-CG 3.29Å; D872-Q876 WeakPolarHBondContact O-CG 3.36Å; D872-Q876 PolarHBondContact O-N 3.23Å |
| 873 | L | 75.5 | Confident | 79.9 | Confident | 109 Ų | 109 | 97.4 Ų | 97.4 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.4 | -34.1 | 170.6 | -81.4 | 166 | 0 | 0 | 0 | 112.8 | Q869 L877 | Q869-L873 VanDerWaalsContact O-CB 3.28Å; Q869-L873 WeakPolarHBondContact O-CB 3.44Å; Q869-L873 VanDerWaalsContact O-CG 3.3Å; Q869-L873 WeakPolarHBondContact O-CG 3.42Å; Q869-L873 PolarHBondContact O-N 3.19Å; L873-L877 VanDerWaalsContact O-CB 3.26Å; L873-L877 WeakPolarHBondContact O-CB 3.32Å; L873-L877 PolarHBondContact O-N 3.49Å |
| 874 | F | 79.7 | Confident | 79.8 | Confident | 135 Ų | 135 | 97 Ų | 97 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.7 | -37.9 | 175.1 | -175.1 | -91.9 | 0 | 0 | 0 | 111.5 | K870 N871 D872 L877 Q878 | K870-F874 WeakPolarHBondContact O-CB 3.43Å; K870-F874 PolarHBondContact O-N 3.16Å; N871-F874 PolarHBondContact O-N 3.26Å; D872-F874 VanDerWaalsContact C-N 3.34Å; F874-L877 PolarHBondContact O-N 2.95Å; F874-Q878 WeakPolarHBondContact O-CB 3.11Å; F874-Q878 PolarHBondContact O-N 3.48Å |
| 875 | L | 82.7 | Confident | 79.5 | Confident | 103 Ų | 103 | 95.1 Ų | 95.1 | 54% | 0.539 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 172.6 | -176.5 | 62.6 | 0 | 0 | 0 | 111.2 | N871 D872 Q878 T879 | N871-L875 WeakPolarHBondContact O-CB 3.49Å; N871-L875 PolarHBondContact O-N 2.9Å; D872-L875 PolarHBondContact O-N 2.85Å; L875-Q878 PolarHBondContact O-N 3.3Å; L875-T879 PolarHBondContact O-N 3.22Å; L875-T879 PolarHBondContact O-OG1 3.47Å |
| 876 | Q | 77.7 | Confident | 79.6 | Confident | 112 Ų | 112 | 95.7 Ų | 95.7 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.6 | -48.8 | 171.1 | -76.4 | 174.1 | 7.4 | 0 | 0 | 110.9 | D872 Q878 T879 E880 | D872-Q876 WeakPolarHBondContact O-CB 3.27Å; D872-Q876 VanDerWaalsContact O-CG 3.29Å; D872-Q876 WeakPolarHBondContact O-CG 3.36Å; D872-Q876 PolarHBondContact O-N 3.23Å; Q876-Q878 VanDerWaalsContact C-N 3.28Å; Q876-Q878 PolarHBondContact O-N 3.45Å; Q876-T879 WeakPolarHBondContact CA-OG1 3.13Å; Q876-T879 CarbonylContact O-C 3.22Å; Q876-T879 PolarHBondContact O-N 3.04Å; Q876-T879 VanDerWaalsContact O-N 3.11Å; Q876-T879 PolarHBondContact O-OG1 2.94Å; Q876-E880 PolarHBondContact O-N 2.85Å |
| 877 | L | 75.9 | Confident | 79.8 | Confident | 78 Ų | 78 | 93.5 Ų | 93.5 | 41% | 0.408 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.9 | -39.2 | 174.9 | 178.1 | 64.4 | 0 | 0 | 0 | 112 | L873 F874 E880 Q881 | L873-L877 VanDerWaalsContact O-CB 3.26Å; L873-L877 WeakPolarHBondContact O-CB 3.32Å; L873-L877 PolarHBondContact O-N 3.49Å; F874-L877 PolarHBondContact O-N 2.95Å; L877-E880 PolarHBondContact O-N 3.37Å; L877-Q881 WeakPolarHBondContact O-CB 3.06Å; L877-Q881 VanDerWaalsContact O-CG 3.31Å; L877-Q881 WeakPolarHBondContact O-CG 3.08Å; L877-Q881 PolarHBondContact O-N 3.07Å |
| 878 | Q | 81.6 | Confident | 79.6 | Confident | 91 Ų | 91 | 95.6 Ų | 95.6 | 43% | 0.425 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 174.6 | -173 | 175.1 | -12.9 | 0 | 0 | 111.1 | F874 L875 Q876 E880 Q881 D882 | F874-Q878 WeakPolarHBondContact O-CB 3.11Å; F874-Q878 PolarHBondContact O-N 3.48Å; L875-Q878 PolarHBondContact O-N 3.3Å; Q876-Q878 VanDerWaalsContact C-N 3.28Å; Q876-Q878 PolarHBondContact O-N 3.45Å; Q878-E880 VanDerWaalsContact C-N 3.3Å; Q878-E880 PolarHBondContact O-N 3.37Å; Q878-Q881 WeakPolarHBondContact O-CB 3.15Å; Q878-Q881 PolarHBondContact O-N 3Å; Q878-Q881 VanDerWaalsContact O-N 3.14Å; Q878-D882 PolarHBondContact O-N 3.45Å |
| 879 | T | 82.3 | Confident | 79.6 | Confident | 72 Ų | 72 | 95.5 Ų | 95.5 | 44% | 0.442 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.1 | -28.4 | 175 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | L875 Q876 S883 | L875-T879 PolarHBondContact O-N 3.22Å; L875-T879 PolarHBondContact O-OG1 3.47Å; Q876-T879 WeakPolarHBondContact CA-OG1 3.13Å; Q876-T879 CarbonylContact O-C 3.22Å; Q876-T879 PolarHBondContact O-N 3.04Å; Q876-T879 VanDerWaalsContact O-N 3.11Å; Q876-T879 PolarHBondContact O-OG1 2.94Å; T879-S883 WeakPolarHBondContact O-CB 3.45Å; T879-S883 PolarHBondContact O-N 3.34Å; T879-S883 PolarHBondContact O-OG 3.4Å |
| 880 | E | 76.4 | Confident | 79.7 | Confident | 132 Ų | 132 | 95 Ų | 95 | 62% | 0.617 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.5 | -39 | 169.6 | -77 | -167.6 | 165.1 | 0 | 0 | 111.2 | Q876 L877 Q878 S883 L884 | Q876-E880 PolarHBondContact O-N 2.85Å; L877-E880 PolarHBondContact O-N 3.37Å; Q878-E880 VanDerWaalsContact C-N 3.3Å; Q878-E880 PolarHBondContact O-N 3.37Å; E880-S883 CarbonylContact O-C 3.56Å; E880-S883 PolarHBondContact O-N 3.22Å; E880-L884 VanDerWaalsContact O-CB 3.23Å; E880-L884 WeakPolarHBondContact O-CB 2.92Å; E880-L884 PolarHBondContact O-N 3.12Å |
| 881 | Q | 78.6 | Confident | 79.6 | Confident | 115 Ų | 115 | 92 Ų | 92 | 54% | 0.537 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 174.4 | -78.3 | 177.8 | -7.5 | 0 | 0 | 112 | L877 Q878 S883 L884 A885 | L877-Q881 WeakPolarHBondContact O-CB 3.06Å; L877-Q881 VanDerWaalsContact O-CG 3.31Å; L877-Q881 WeakPolarHBondContact O-CG 3.08Å; L877-Q881 PolarHBondContact O-N 3.07Å; Q878-Q881 WeakPolarHBondContact O-CB 3.15Å; Q878-Q881 PolarHBondContact O-N 3Å; Q878-Q881 VanDerWaalsContact O-N 3.14Å; Q881-S883 VanDerWaalsContact C-N 3.35Å; Q881-L884 WeakPolarHBondContact O-CB 2.94Å; Q881-L884 PolarHBondContact O-N 3.46Å; Q881-A885 PolarHBondContact O-N 2.95Å |
| 882 | D | 82 | Confident | 79.4 | Confident | 98 Ų | 98 | 91 Ų | 91 | 52% | 0.524 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 173.5 | -69 | -30.1 | 0 | 0 | 0 | 109.9 | Q878 L884 A885 D886 | Q878-D882 PolarHBondContact O-N 3.45Å; D882-L884 VanDerWaalsContact C-N 3.3Å; D882-L884 PolarHBondContact O-N 2.86Å; D882-A885 PolarHBondContact O-N 2.98Å; D882-D886 WeakPolarHBondContact O-CB 3.34Å; D882-D886 PolarHBondContact O-N 2.89Å |
| 883 | S | 80.3 | Confident | 79.5 | Confident | 76 Ų | 76 | 92.5 Ų | 92.5 | 53% | 0.531 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64 | -31.5 | 174.9 | -60.7 | 0 | 0 | 0 | 0 | 113.3 | T879 E880 Q881 A887 | T879-S883 WeakPolarHBondContact O-CB 3.45Å; T879-S883 PolarHBondContact O-N 3.34Å; T879-S883 PolarHBondContact O-OG 3.4Å; E880-S883 CarbonylContact O-C 3.56Å; E880-S883 PolarHBondContact O-N 3.22Å; Q881-S883 VanDerWaalsContact C-N 3.35Å; S883-A887 VanDerWaalsContact O-CB 3.3Å; S883-A887 WeakPolarHBondContact O-CB 3.39Å; S883-A887 PolarHBondContact O-N 3.47Å |
| 884 | L | 76 | Confident | 79.7 | Confident | 83 Ų | 83 | 92.3 Ų | 92.3 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71 | -44.4 | 175.6 | -166.8 | 84.9 | 0 | 0 | 0 | 110.3 | E880 Q881 D882 D886 A887 E888 | E880-L884 VanDerWaalsContact O-CB 3.23Å; E880-L884 WeakPolarHBondContact O-CB 2.92Å; E880-L884 PolarHBondContact O-N 3.12Å; Q881-L884 WeakPolarHBondContact O-CB 2.94Å; Q881-L884 PolarHBondContact O-N 3.46Å; D882-L884 VanDerWaalsContact C-N 3.3Å; D882-L884 PolarHBondContact O-N 2.86Å; L884-D886 VanDerWaalsContact C-N 3.31Å; L884-D886 PolarHBondContact O-N 3.03Å; L884-A887 CarbonylContact O-C 3.47Å; L884-A887 WeakPolarHBondContact O-CA 3.04Å; L884-A887 WeakPolarHBondContact O-CB 3.14Å; L884-A887 PolarHBondContact O-N 2.76Å; L884-A887 VanDerWaalsContact O-N 3.07Å; L884-E888 WeakPolarHBondContact O-CG 3.18Å; L884-E888 PolarHBondContact O-N 2.78Å |
| 885 | A | 80.9 | Confident | 79.7 | Confident | 56 Ų | 56 | 89.9 Ų | 89.9 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q881 D882 A887 E888 E889 | Q881-A885 PolarHBondContact O-N 2.95Å; D882-A885 PolarHBondContact O-N 2.98Å; A885-A887 PolarHBondContact O-N 2.93Å; A885-E888 PolarHBondContact O-N 3.06Å; A885-E889 WeakPolarHBondContact O-CB 3.44Å; A885-E889 PolarHBondContact O-N 3.39Å |
| 886 | D | 81.7 | Confident | 79.7 | Confident | 88 Ų | 88 | 90.5 Ų | 90.5 | 47% | 0.471 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.6 | -25.8 | 174.6 | -144.2 | 55.1 | 0 | 0 | 0 | 112 | D882 L884 K890 | D882-D886 WeakPolarHBondContact O-CB 3.34Å; D882-D886 PolarHBondContact O-N 2.89Å; L884-D886 VanDerWaalsContact C-N 3.31Å; L884-D886 PolarHBondContact O-N 3.03Å; D886-K890 VanDerWaalsContact CG-NZ 3.3Å; D886-K890 VanDerWaalsContact O-CD 3.25Å; D886-K890 WeakPolarHBondContact O-CD 3.34Å; D886-K890 WeakPolarHBondContact O-CE 3.47Å; D886-K890 WeakPolarHBondContact O-CG 3.31Å; D886-K890 PolarHBondContact O-NZ 2.83Å; D886-K890 IonicContact OD2-NZ 3.37Å; D886-K890 PolarHBondContact OD2-NZ 3.24Å |
| 887 | A | 78.5 | Confident | 80 | Confident | 37 Ų | 37 | 90.4 Ų | 90.4 | 31% | 0.306 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -84.6 | -36.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | S883 L884 A885 K890 I891 | S883-A887 VanDerWaalsContact O-CB 3.3Å; S883-A887 WeakPolarHBondContact O-CB 3.39Å; S883-A887 PolarHBondContact O-N 3.47Å; L884-A887 CarbonylContact O-C 3.47Å; L884-A887 WeakPolarHBondContact O-CA 3.04Å; L884-A887 WeakPolarHBondContact O-CB 3.14Å; L884-A887 PolarHBondContact O-N 2.76Å; L884-A887 VanDerWaalsContact O-N 3.07Å; A885-A887 PolarHBondContact O-N 2.93Å; A887-K890 PolarHBondContact O-N 2.8Å; A887-I891 WeakPolarHBondContact O-CB 3.25Å; A887-I891 WeakPolarHBondContact O-CD1 3.47Å; A887-I891 WeakPolarHBondContact O-CG1 3.29Å; A887-I891 PolarHBondContact O-N 2.88Å |
| 888 | E | 77 | Confident | 80.2 | Confident | 122 Ų | 122 | 93.8 Ų | 93.8 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.3 | -39 | 174.4 | -75.5 | -170.4 | 161.6 | 0 | 0 | 111.5 | L884 A885 I891 S892 | L884-E888 WeakPolarHBondContact O-CG 3.18Å; L884-E888 PolarHBondContact O-N 2.78Å; A885-E888 PolarHBondContact O-N 3.06Å; E888-I891 PolarHBondContact O-N 3.45Å; E888-S892 WeakPolarHBondContact O-CB 3.47Å; E888-S892 PolarHBondContact O-N 2.66Å |
| 889 | E | 81 | Confident | 80.2 | Confident | 97 Ų | 97 | 91 Ų | 91 | 45% | 0.453 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 173.7 | -156.4 | -137.5 | -177 | 0 | 0 | 111.2 | A885 S892 K893 | A885-E889 WeakPolarHBondContact O-CB 3.44Å; A885-E889 PolarHBondContact O-N 3.39Å; E889-S892 PolarHBondContact O-N 2.86Å; E889-K893 WeakPolarHBondContact O-CB 3.43Å; E889-K893 VanDerWaalsContact O-CG 3.29Å; E889-K893 WeakPolarHBondContact O-CG 3.43Å; E889-K893 PolarHBondContact O-N 3.31Å; E889-K893 WeakPolarHBondContact OE1-CE 2.95Å; E889-K893 IonicContact OE1-NZ 2.73Å; E889-K893 PolarHBondContact OE1-NZ 3.39Å; E889-K893 WeakPolarHBondContact OE2-CE 2.95Å; E889-K893 IonicContact OE2-NZ 2.69Å; E889-K893 PolarHBondContact OE2-NZ 3.33Å |
| 890 | K | 80.4 | Confident | 80.3 | Confident | 101 Ų | 101 | 91.7 Ų | 91.7 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 172 | -71.7 | 170.3 | -162.1 | 113.7 | 0 | 112.2 | D886 A887 K893 L894 | D886-K890 VanDerWaalsContact CG-NZ 3.3Å; D886-K890 VanDerWaalsContact O-CD 3.25Å; D886-K890 WeakPolarHBondContact O-CD 3.34Å; D886-K890 WeakPolarHBondContact O-CE 3.47Å; D886-K890 WeakPolarHBondContact O-CG 3.31Å; D886-K890 PolarHBondContact O-NZ 2.83Å; D886-K890 IonicContact OD2-NZ 3.37Å; D886-K890 PolarHBondContact OD2-NZ 3.24Å; A887-K890 PolarHBondContact O-N 2.8Å; K890-K893 PolarHBondContact O-N 2.96Å; K890-L894 WeakPolarHBondContact O-CB 3.35Å; K890-L894 VanDerWaalsContact O-CG 3.28Å; K890-L894 WeakPolarHBondContact O-CG 3.28Å; K890-L894 PolarHBondContact O-N 2.9Å |
| 891 | I | 77.8 | Confident | 80.6 | Confident | 71 Ų | 71 | 90.4 Ų | 90.4 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 175.4 | -72.3 | 160.8 | 0 | 0 | 0 | 110.5 | A887 E888 L894 V895 | A887-I891 WeakPolarHBondContact O-CB 3.25Å; A887-I891 WeakPolarHBondContact O-CD1 3.47Å; A887-I891 WeakPolarHBondContact O-CG1 3.29Å; A887-I891 PolarHBondContact O-N 2.88Å; E888-I891 PolarHBondContact O-N 3.45Å; I891-L894 CarbonylContact O-C 3.55Å; I891-L894 PolarHBondContact O-N 2.88Å; I891-V895 HydrophobicContact CG2-CG2 4.41Å; I891-V895 WeakPolarHBondContact O-CG2 2.99Å; I891-V895 PolarHBondContact O-N 3.11Å |
| 892 | S | 80 | Confident | 80.7 | Confident | 68 Ų | 68 | 89.4 Ų | 89.4 | 48% | 0.476 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 176 | -166.9 | 0 | 0 | 0 | 0 | 111.3 | E888 E889 L894 V895 L896 | E888-S892 WeakPolarHBondContact O-CB 3.47Å; E888-S892 PolarHBondContact O-N 2.66Å; E889-S892 PolarHBondContact O-N 2.86Å; S892-L894 VanDerWaalsContact C-N 3.33Å; S892-L894 PolarHBondContact O-N 3.03Å; S892-V895 PolarHBondContact O-N 2.87Å; S892-L896 WeakPolarHBondContact O-CG 3.45Å; S892-L896 PolarHBondContact O-N 3Å |
| 893 | K | 83.1 | Confident | 80.9 | Confident | 98 Ų | 98 | 90.5 Ų | 90.5 | 43% | 0.426 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.7 | -40.9 | 171.3 | -72.7 | 166.3 | -179.8 | 171 | 0 | 112.4 | E889 K890 Q897 | E889-K893 WeakPolarHBondContact O-CB 3.43Å; E889-K893 VanDerWaalsContact O-CG 3.29Å; E889-K893 WeakPolarHBondContact O-CG 3.43Å; E889-K893 PolarHBondContact O-N 3.31Å; E889-K893 WeakPolarHBondContact OE1-CE 2.95Å; E889-K893 IonicContact OE1-NZ 2.73Å; E889-K893 PolarHBondContact OE1-NZ 3.39Å; E889-K893 WeakPolarHBondContact OE2-CE 2.95Å; E889-K893 IonicContact OE2-NZ 2.69Å; E889-K893 PolarHBondContact OE2-NZ 3.33Å; K890-K893 PolarHBondContact O-N 2.96Å; K893-Q897 WeakPolarHBondContact O-CB 3.2Å; K893-Q897 VanDerWaalsContact O-CG 3.31Å; K893-Q897 WeakPolarHBondContact O-CG 3.49Å; K893-Q897 PolarHBondContact O-N 3.13Å |
| 894 | L | 80.2 | Confident | 81 | Confident | 106 Ų | 106 | 93.5 Ų | 93.5 | 56% | 0.555 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.8 | -34.2 | 175.8 | -74.5 | 168.2 | 0 | 0 | 0 | 113 | K890 I891 S892 Q897 R898 | K890-L894 WeakPolarHBondContact O-CB 3.35Å; K890-L894 VanDerWaalsContact O-CG 3.28Å; K890-L894 WeakPolarHBondContact O-CG 3.28Å; K890-L894 PolarHBondContact O-N 2.9Å; I891-L894 CarbonylContact O-C 3.55Å; I891-L894 PolarHBondContact O-N 2.88Å; S892-L894 VanDerWaalsContact C-N 3.33Å; S892-L894 PolarHBondContact O-N 3.03Å; L894-Q897 PolarHBondContact O-N 3.43Å; L894-R898 WeakPolarHBondContact O-CB 3.26Å; L894-R898 PolarHBondContact O-N 3.39Å |
| 895 | V | 79.6 | Confident | 81.2 | Confident | 84 Ų | 84 | 93.9 Ų | 93.9 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.9 | -41.3 | 174.5 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | I891 S892 R898 G899 | I891-V895 HydrophobicContact CG2-CG2 4.41Å; I891-V895 WeakPolarHBondContact O-CG2 2.99Å; I891-V895 PolarHBondContact O-N 3.11Å; S892-V895 PolarHBondContact O-N 2.87Å; V895-R898 WeakPolarHBondContact O-CB 3.5Å; V895-R898 PolarHBondContact O-N 2.93Å; V895-G899 PolarHBondContact O-N 3.03Å |
| 896 | L | 82.9 | Confident | 81.4 | Confident | 115 Ų | 115 | 96.6 Ų | 96.6 | 60% | 0.602 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.3 | -48 | 171.8 | -70 | 168.9 | 0 | 0 | 0 | 111.1 | S892 R898 G899 D900 | S892-L896 WeakPolarHBondContact O-CG 3.45Å; S892-L896 PolarHBondContact O-N 3Å; L896-R898 VanDerWaalsContact C-N 3.26Å; L896-R898 PolarHBondContact O-N 2.92Å; L896-G899 PolarHBondContact O-N 2.9Å; L896-G899 VanDerWaalsContact O-N 3.09Å; L896-D900 PolarHBondContact O-N 3.36Å |
| 897 | Q | 83.2 | Confident | 81.6 | Confident | 111 Ų | 111 | 95.9 Ų | 95.9 | 52% | 0.519 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.2 | -32.3 | 174 | -73.9 | 176.1 | 1.2 | 0 | 0 | 113 | K893 L894 M901 | K893-Q897 WeakPolarHBondContact O-CB 3.2Å; K893-Q897 VanDerWaalsContact O-CG 3.31Å; K893-Q897 WeakPolarHBondContact O-CG 3.49Å; K893-Q897 PolarHBondContact O-N 3.13Å; L894-Q897 PolarHBondContact O-N 3.43Å; Q897-M901 WeakPolarHBondContact O-CB 3.2Å; Q897-M901 WeakPolarHBondContact O-CG 3.07Å; Q897-M901 PolarHBondContact O-N 3.36Å |
| 898 | R | 81.6 | Confident | 81.7 | Confident | 148 Ų | 148 | 99.3 Ų | 99.3 | 56% | 0.558 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.2 | -43.3 | 173 | -154.8 | -162 | 97.6 | -149.9 | -1.8 | 110.9 | L894 V895 L896 M901 E902 | L894-R898 WeakPolarHBondContact O-CB 3.26Å; L894-R898 PolarHBondContact O-N 3.39Å; V895-R898 WeakPolarHBondContact O-CB 3.5Å; V895-R898 PolarHBondContact O-N 2.93Å; L896-R898 VanDerWaalsContact C-N 3.26Å; L896-R898 PolarHBondContact O-N 2.92Å; R898-M901 PolarHBondContact O-N 2.9Å; R898-E902 IonicContact CZ-OE1 2.8Å; R898-E902 IonicContact CZ-OE2 3.11Å; R898-E902 VanDerWaalsContact NE-CD 3.26Å; R898-E902 IonicContact NE-OE1 3.51Å; R898-E902 PolarHBondContact NE-OE1 2.9Å; R898-E902 IonicContact NE-OE2 3.75Å; R898-E902 PolarHBondContact NE-OE2 3.5Å; R898-E902 IonicContact NH2-OE1 3.56Å; R898-E902 PolarHBondContact NH2-OE1 3.37Å; R898-E902 IonicContact NH2-OE2 3.55Å; R898-E902 PolarHBondContact NH2-OE2 3.06Å; R898-E902 WeakPolarHBondContact O-CB 3.44Å; R898-E902 WeakPolarHBondContact O-CG 3.06Å; R898-E902 PolarHBondContact O-N 2.81Å |
| 899 | G | 81.4 | Confident | 82 | Confident | 32 Ų | 32 | 99.3 Ų | 99.3 | 33% | 0.33 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V895 L896 M901 E902 Q903 | V895-G899 PolarHBondContact O-N 3.03Å; L896-G899 PolarHBondContact O-N 2.9Å; L896-G899 VanDerWaalsContact O-N 3.09Å; G899-M901 VanDerWaalsContact C-N 3.27Å; G899-M901 PolarHBondContact O-N 2.62Å; G899-E902 PolarHBondContact O-N 2.96Å; G899-Q903 PolarHBondContact O-N 3.22Å |
| 900 | D | 83.5 | Confident | 82.2 | Confident | 88 Ų | 88 | 99.5 Ų | 99.5 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58 | -39 | 174.5 | -73.8 | -2.8 | 0 | 0 | 0 | 112 | L896 R904 | L896-D900 PolarHBondContact O-N 3.36Å; D900-R904 WeakPolarHBondContact O-CB 3.1Å; D900-R904 VanDerWaalsContact O-CG 3.23Å; D900-R904 WeakPolarHBondContact O-CG 3.39Å; D900-R904 PolarHBondContact O-N 3Å |
| 901 | M | 82.5 | Confident | 82.4 | Confident | 105 Ų | 105 | 101.8 Ų | 101.8 | 52% | 0.517 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -76.5 | -36.1 | 178.3 | -68.5 | -68.8 | -177.6 | 0 | 0 | 112.6 | Q897 R898 G899 R904 I905 | Q897-M901 WeakPolarHBondContact O-CB 3.2Å; Q897-M901 WeakPolarHBondContact O-CG 3.07Å; Q897-M901 PolarHBondContact O-N 3.36Å; R898-M901 PolarHBondContact O-N 2.9Å; G899-M901 VanDerWaalsContact C-N 3.27Å; G899-M901 PolarHBondContact O-N 2.62Å; M901-R904 PolarHBondContact O-N 2.76Å; M901-I905 WeakPolarHBondContact O-CB 2.96Å; M901-I905 VanDerWaalsContact O-CG1 3.26Å; M901-I905 WeakPolarHBondContact O-CG1 3.4Å; M901-I905 PolarHBondContact O-N 3.46Å |
| 902 | E | 81.3 | Confident | 82.4 | Confident | 94 Ų | 94 | 103 Ų | 103 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 172.1 | -77.7 | 174.5 | 165.3 | 0 | 0 | 111 | R898 G899 I905 K906 | R898-E902 IonicContact CZ-OE1 2.8Å; R898-E902 IonicContact CZ-OE2 3.11Å; R898-E902 VanDerWaalsContact NE-CD 3.26Å; R898-E902 IonicContact NE-OE1 3.51Å; R898-E902 PolarHBondContact NE-OE1 2.9Å; R898-E902 IonicContact NE-OE2 3.75Å; R898-E902 PolarHBondContact NE-OE2 3.5Å; R898-E902 IonicContact NH2-OE1 3.56Å; R898-E902 PolarHBondContact NH2-OE1 3.37Å; R898-E902 IonicContact NH2-OE2 3.55Å; R898-E902 PolarHBondContact NH2-OE2 3.06Å; R898-E902 WeakPolarHBondContact O-CB 3.44Å; R898-E902 WeakPolarHBondContact O-CG 3.06Å; R898-E902 PolarHBondContact O-N 2.81Å; G899-E902 PolarHBondContact O-N 2.96Å; E902-I905 PolarHBondContact O-N 3.08Å; E902-K906 WeakPolarHBondContact O-CB 3.49Å; E902-K906 PolarHBondContact O-N 2.87Å |
| 903 | Q | 85 | Confident | 82.6 | Confident | 120 Ų | 120 | 102.4 Ų | 102.4 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.5 | -46 | 172.1 | -173.9 | -179.2 | -39.2 | 0 | 0 | 111.2 | G899 I905 K906 E907 | G899-Q903 PolarHBondContact O-N 3.22Å; Q903-I905 VanDerWaalsContact C-N 3.33Å; Q903-I905 PolarHBondContact O-N 3.16Å; Q903-K906 PolarHBondContact O-N 3.31Å; Q903-E907 HydrophobicContact CG-CG 4.47Å; Q903-E907 WeakPolarHBondContact CG-OE1 3.42Å; Q903-E907 PolarHBondContact NE2-OE1 3.21Å; Q903-E907 WeakPolarHBondContact O-CG 3.42Å; Q903-E907 PolarHBondContact O-N 3.28Å |
| 904 | R | 84.1 | Confident | 82.6 | Confident | 139 Ų | 139 | 102.5 Ų | 102.5 | 53% | 0.525 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -34.6 | 177 | -74.7 | 170.5 | -173.7 | -170.4 | 4.1 | 113.6 | D900 M901 L908 | D900-R904 WeakPolarHBondContact O-CB 3.1Å; D900-R904 VanDerWaalsContact O-CG 3.23Å; D900-R904 WeakPolarHBondContact O-CG 3.39Å; D900-R904 PolarHBondContact O-N 3Å; M901-R904 PolarHBondContact O-N 2.76Å; R904-L908 WeakPolarHBondContact O-CB 3.03Å; R904-L908 VanDerWaalsContact O-CG 3.25Å; R904-L908 WeakPolarHBondContact O-CG 3.38Å; R904-L908 PolarHBondContact O-N 2.87Å |
| 905 | I | 80.4 | Confident | 82.4 | Confident | 91 Ų | 91 | 103.7 Ų | 103.7 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 173.3 | -72.8 | 164.1 | 0 | 0 | 0 | 109.1 | M901 E902 Q903 E907 L908 E909 | M901-I905 WeakPolarHBondContact O-CB 2.96Å; M901-I905 VanDerWaalsContact O-CG1 3.26Å; M901-I905 WeakPolarHBondContact O-CG1 3.4Å; M901-I905 PolarHBondContact O-N 3.46Å; E902-I905 PolarHBondContact O-N 3.08Å; Q903-I905 VanDerWaalsContact C-N 3.33Å; Q903-I905 PolarHBondContact O-N 3.16Å; I905-E907 PolarHBondContact O-N 3.01Å; I905-L908 CarbonylContact O-C 3.57Å; I905-L908 WeakPolarHBondContact O-CA 3.06Å; I905-L908 WeakPolarHBondContact O-CB 3.07Å; I905-L908 PolarHBondContact O-N 3.23Å; I905-E909 HydrophobicContact CG2-CG 4.33Å; I905-E909 WeakPolarHBondContact O-CG 3.12Å; I905-E909 PolarHBondContact O-N 3.46Å |
| 906 | K | 84.6 | Confident | 82.4 | Confident | 113 Ų | 113 | 105.8 Ų | 105.8 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 176.5 | -169.8 | 171.3 | -179.8 | -67.6 | 0 | 113 | E902 Q903 L908 E909 E910 | E902-K906 WeakPolarHBondContact O-CB 3.49Å; E902-K906 PolarHBondContact O-N 2.87Å; Q903-K906 PolarHBondContact O-N 3.31Å; K906-L908 VanDerWaalsContact C-N 3.25Å; K906-L908 PolarHBondContact O-N 3.26Å; K906-E909 PolarHBondContact O-N 2.98Å; K906-E910 IonicContact NZ-OE1 3.21Å; K906-E910 PolarHBondContact NZ-OE1 2.75Å; K906-E910 IonicContact NZ-OE2 2.79Å; K906-E910 WeakPolarHBondContact O-CB 3.32Å; K906-E910 WeakPolarHBondContact O-CG 3.05Å; K906-E910 PolarHBondContact O-N 3.47Å |
| 907 | E | 84.5 | Confident | 82.3 | Confident | 74 Ų | 74 | 105.5 Ų | 105.5 | 35% | 0.346 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -25.1 | 172 | -73.8 | 175 | -159.3 | 0 | 0 | 112.9 | Q903 I905 R911 | Q903-E907 HydrophobicContact CG-CG 4.47Å; Q903-E907 WeakPolarHBondContact CG-OE1 3.42Å; Q903-E907 PolarHBondContact NE2-OE1 3.21Å; Q903-E907 WeakPolarHBondContact O-CG 3.42Å; Q903-E907 PolarHBondContact O-N 3.28Å; I905-E907 PolarHBondContact O-N 3.01Å; E907-R911 WeakPolarHBondContact O-CB 3.15Å; E907-R911 WeakPolarHBondContact O-CD 2.9Å; E907-R911 WeakPolarHBondContact O-CG 3.22Å; E907-R911 PolarHBondContact O-N 2.89Å |
| 908 | L | 82.4 | Confident | 82.3 | Confident | 109 Ų | 109 | 106 Ų | 106 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -85.1 | -33.4 | 173.5 | -74.1 | 168.1 | 0 | 0 | 0 | 112.4 | R904 I905 K906 L912 | R904-L908 WeakPolarHBondContact O-CB 3.03Å; R904-L908 VanDerWaalsContact O-CG 3.25Å; R904-L908 WeakPolarHBondContact O-CG 3.38Å; R904-L908 PolarHBondContact O-N 2.87Å; I905-L908 CarbonylContact O-C 3.57Å; I905-L908 WeakPolarHBondContact O-CA 3.06Å; I905-L908 WeakPolarHBondContact O-CB 3.07Å; I905-L908 PolarHBondContact O-N 3.23Å; K906-L908 VanDerWaalsContact C-N 3.25Å; K906-L908 PolarHBondContact O-N 3.26Å; L908-L912 WeakPolarHBondContact O-CB 3.37Å; L908-L912 PolarHBondContact O-N 3.02Å |
| 909 | E | 82.8 | Confident | 82.1 | Confident | 122 Ų | 122 | 101.3 Ų | 101.3 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67 | -43.7 | 171.7 | -71.4 | 173.3 | 160.2 | 0 | 0 | 110.9 | I905 K906 L912 A913 | I905-E909 HydrophobicContact CG2-CG 4.33Å; I905-E909 WeakPolarHBondContact O-CG 3.12Å; I905-E909 PolarHBondContact O-N 3.46Å; K906-E909 PolarHBondContact O-N 2.98Å; E909-L912 PolarHBondContact O-N 3.14Å; E909-A913 PolarHBondContact O-N 3.32Å |
| 910 | E | 84.3 | Confident | 82.1 | Confident | 100 Ų | 100 | 102.3 Ų | 102.3 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 173.6 | -74.1 | 174.4 | 174.5 | 0 | 0 | 111.5 | K906 A913 D914 | K906-E910 IonicContact NZ-OE1 3.21Å; K906-E910 PolarHBondContact NZ-OE1 2.75Å; K906-E910 IonicContact NZ-OE2 2.79Å; K906-E910 WeakPolarHBondContact O-CB 3.32Å; K906-E910 WeakPolarHBondContact O-CG 3.05Å; K906-E910 PolarHBondContact O-N 3.47Å; E910-A913 PolarHBondContact O-N 3.35Å; E910-D914 PolarHBondContact O-N 2.71Å |
| 911 | R | 84.6 | Confident | 82 | Confident | 150 Ų | 150 | 102.4 Ų | 102.4 | 57% | 0.566 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.6 | -35 | 172.5 | -77.9 | 176.6 | -162.7 | -172.6 | 9 | 113.9 | E907 D914 E915 | E907-R911 WeakPolarHBondContact O-CB 3.15Å; E907-R911 WeakPolarHBondContact O-CD 2.9Å; E907-R911 WeakPolarHBondContact O-CG 3.22Å; E907-R911 PolarHBondContact O-N 2.89Å; R911-D914 PolarHBondContact O-N 2.71Å; R911-E915 WeakPolarHBondContact O-CB 3.22Å; R911-E915 WeakPolarHBondContact O-CG 3.09Å; R911-E915 PolarHBondContact O-N 3.4Å |
| 912 | L | 78.8 | Confident | 81.9 | Confident | 96 Ų | 96 | 103 Ų | 103 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 176.2 | -178.3 | 62.2 | 0 | 0 | 0 | 110.2 | L908 E909 E915 E916 | L908-L912 WeakPolarHBondContact O-CB 3.37Å; L908-L912 PolarHBondContact O-N 3.02Å; E909-L912 PolarHBondContact O-N 3.14Å; L912-E915 PolarHBondContact O-N 2.99Å; L912-E916 WeakPolarHBondContact O-CB 3.34Å; L912-E916 WeakPolarHBondContact O-CG 3.06Å; L912-E916 PolarHBondContact O-N 3.47Å |
| 913 | A | 83 | Confident | 81.8 | Confident | 55 Ų | 55 | 102.9 Ų | 102.9 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E909 E910 E915 E916 D917 | E909-A913 PolarHBondContact O-N 3.32Å; E910-A913 PolarHBondContact O-N 3.35Å; A913-E915 VanDerWaalsContact C-N 3.33Å; A913-E915 PolarHBondContact O-N 3.03Å; A913-E916 PolarHBondContact O-N 3.38Å; A913-D917 WeakPolarHBondContact O-CB 3.02Å; A913-D917 PolarHBondContact O-N 3.2Å |
| 914 | D | 83.3 | Confident | 81.6 | Confident | 100 Ų | 100 | 102.1 Ų | 102.1 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -35 | 174.5 | -77.6 | -19.6 | 0 | 0 | 0 | 112.7 | E910 R911 Q918 | E910-D914 PolarHBondContact O-N 2.71Å; R911-D914 PolarHBondContact O-N 2.71Å; D914-Q918 WeakPolarHBondContact O-CB 3.36Å; D914-Q918 WeakPolarHBondContact O-CG 3.03Å; D914-Q918 PolarHBondContact O-N 2.85Å; D914-Q918 PolarHBondContact O-NE2 3Å |
| 915 | E | 77.5 | Confident | 81.6 | Confident | 132 Ų | 132 | 98.8 Ų | 98.8 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -74.1 | -36.7 | 174.8 | -80.3 | -174.6 | -171.4 | 0 | 0 | 112 | R911 L912 A913 Q918 A919 | R911-E915 WeakPolarHBondContact O-CB 3.22Å; R911-E915 WeakPolarHBondContact O-CG 3.09Å; R911-E915 PolarHBondContact O-N 3.4Å; L912-E915 PolarHBondContact O-N 2.99Å; A913-E915 VanDerWaalsContact C-N 3.33Å; A913-E915 PolarHBondContact O-N 3.03Å; E915-Q918 PolarHBondContact O-N 3.3Å; E915-A919 VanDerWaalsContact O-CB 3.25Å; E915-A919 WeakPolarHBondContact O-CB 3.41Å; E915-A919 PolarHBondContact O-N 3.28Å |
| 916 | E | 79 | Confident | 81.5 | Confident | 128 Ų | 128 | 99.9 Ų | 99.9 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.5 | -44 | 173.4 | -75.7 | -175.9 | 165.4 | 0 | 0 | 111.6 | L912 A913 A919 A920 | L912-E916 WeakPolarHBondContact O-CB 3.34Å; L912-E916 WeakPolarHBondContact O-CG 3.06Å; L912-E916 PolarHBondContact O-N 3.47Å; A913-E916 PolarHBondContact O-N 3.38Å; E916-A919 PolarHBondContact O-N 3.26Å; E916-A920 WeakPolarHBondContact O-CB 2.8Å; E916-A920 PolarHBondContact O-N 2.91Å |
| 917 | D | 81.5 | Confident | 81.3 | Confident | 109 Ų | 109 | 102.2 Ų | 102.2 | 58% | 0.583 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.9 | -37.9 | 173.7 | -111.1 | 20.3 | 0 | 0 | 0 | 111.1 | A913 A920 N921 | A913-D917 WeakPolarHBondContact O-CB 3.02Å; A913-D917 PolarHBondContact O-N 3.2Å; D917-A920 PolarHBondContact O-N 2.73Å; D917-N921 VanDerWaalsContact O-CB 3.31Å; D917-N921 WeakPolarHBondContact O-CB 3.41Å; D917-N921 PolarHBondContact O-N 3.35Å; D917-N921 PolarHBondContact O-ND2 3.31Å |
| 918 | Q | 81.9 | Confident | 81.2 | Confident | 121 Ų | 121 | 104.2 Ų | 104.2 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.9 | -39.3 | 171.5 | -82.4 | 175.8 | 70.7 | 0 | 0 | 112.3 | D914 E915 N921 L922 | D914-Q918 WeakPolarHBondContact O-CB 3.36Å; D914-Q918 WeakPolarHBondContact O-CG 3.03Å; D914-Q918 PolarHBondContact O-N 2.85Å; D914-Q918 PolarHBondContact O-NE2 3Å; E915-Q918 PolarHBondContact O-N 3.3Å; Q918-N921 PolarHBondContact O-N 3.23Å; Q918-L922 VanDerWaalsContact O-CB 3.22Å; Q918-L922 WeakPolarHBondContact O-CB 3.23Å; Q918-L922 VanDerWaalsContact O-CG 3.25Å; Q918-L922 WeakPolarHBondContact O-CG 3.33Å; Q918-L922 PolarHBondContact O-N 3.26Å |
| 919 | A | 78.4 | Confident | 80.9 | Confident | 49 Ų | 49 | 104 Ų | 104 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E915 E916 T923 | E915-A919 VanDerWaalsContact O-CB 3.25Å; E915-A919 WeakPolarHBondContact O-CB 3.41Å; E915-A919 PolarHBondContact O-N 3.28Å; E916-A919 PolarHBondContact O-N 3.26Å; A919-T923 VanDerWaalsContact O-CB 3.3Å; A919-T923 WeakPolarHBondContact O-CB 3.14Å; A919-T923 PolarHBondContact O-N 3.13Å; A919-T923 PolarHBondContact O-OG1 3.04Å |
| 920 | A | 81.5 | Confident | 80.7 | Confident | 54 Ų | 54 | 101 Ų | 101 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -47.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E916 D917 T923 E924 | E916-A920 WeakPolarHBondContact O-CB 2.8Å; E916-A920 PolarHBondContact O-N 2.91Å; D917-A920 PolarHBondContact O-N 2.73Å; A920-T923 CarbonylContact O-C 3.54Å; A920-T923 WeakPolarHBondContact O-CB 3.44Å; A920-T923 PolarHBondContact O-N 3.4Å; A920-T923 VanDerWaalsContact O-N 3.13Å; A920-E924 PolarHBondContact O-N 3.31Å |
| 921 | N | 81.6 | Confident | 80.5 | Confident | 90 Ų | 90 | 98.9 Ų | 98.9 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 175.1 | -81.9 | -74.5 | 0 | 0 | 0 | 112 | D917 Q918 T923 E924 V925 | D917-N921 VanDerWaalsContact O-CB 3.31Å; D917-N921 WeakPolarHBondContact O-CB 3.41Å; D917-N921 PolarHBondContact O-N 3.35Å; D917-N921 PolarHBondContact O-ND2 3.31Å; Q918-N921 PolarHBondContact O-N 3.23Å; N921-T923 VanDerWaalsContact C-N 3.26Å; N921-T923 PolarHBondContact O-N 2.95Å; N921-E924 PolarHBondContact O-N 3.37Å; N921-V925 WeakPolarHBondContact O-CB 3.4Å; N921-V925 VanDerWaalsContact O-CG2 3.3Å; N921-V925 WeakPolarHBondContact O-CG2 3.23Å; N921-V925 PolarHBondContact O-N 2.94Å |
| 922 | L | 78.9 | Confident | 80.3 | Confident | 118 Ų | 118 | 97.1 Ų | 97.1 | 62% | 0.618 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.5 | -33.3 | 173.3 | -79.1 | 168 | 0 | 0 | 0 | 111.9 | Q918 K926 | Q918-L922 VanDerWaalsContact O-CB 3.22Å; Q918-L922 WeakPolarHBondContact O-CB 3.23Å; Q918-L922 VanDerWaalsContact O-CG 3.25Å; Q918-L922 WeakPolarHBondContact O-CG 3.33Å; Q918-L922 PolarHBondContact O-N 3.26Å; L922-K926 WeakPolarHBondContact O-CB 2.86Å; L922-K926 PolarHBondContact O-N 2.91Å |
| 923 | T | 80.3 | Confident | 80.3 | Confident | 91 Ų | 91 | 96.6 Ų | 96.6 | 56% | 0.558 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72 | -39.7 | 174.8 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | A919 A920 N921 K927 | A919-T923 VanDerWaalsContact O-CB 3.3Å; A919-T923 WeakPolarHBondContact O-CB 3.14Å; A919-T923 PolarHBondContact O-N 3.13Å; A919-T923 PolarHBondContact O-OG1 3.04Å; A920-T923 CarbonylContact O-C 3.54Å; A920-T923 WeakPolarHBondContact O-CB 3.44Å; A920-T923 PolarHBondContact O-N 3.4Å; A920-T923 VanDerWaalsContact O-N 3.13Å; N921-T923 VanDerWaalsContact C-N 3.26Å; N921-T923 PolarHBondContact O-N 2.95Å; T923-K927 VanDerWaalsContact O-CB 3.28Å; T923-K927 WeakPolarHBondContact O-CB 3.08Å; T923-K927 PolarHBondContact O-N 3.43Å |
| 924 | E | 80.9 | Confident | 80.1 | Confident | 104 Ų | 104 | 100.3 Ų | 100.3 | 49% | 0.486 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 173.8 | -163.2 | -172.8 | 137.5 | 0 | 0 | 111.7 | A920 N921 K927 K928 | A920-E924 PolarHBondContact O-N 3.31Å; N921-E924 PolarHBondContact O-N 3.37Å; E924-K927 PolarHBondContact O-N 2.91Å; E924-K928 WeakPolarHBondContact O-CG 3.41Å; E924-K928 PolarHBondContact O-N 3.21Å; E924-K928 WeakPolarHBondContact OE1-CE 3.22Å; E924-K928 IonicContact OE1-NZ 3.99Å; E924-K928 PolarHBondContact OE1-NZ 3.49Å |
| 925 | V | 82.5 | Confident | 80 | Confident | 69 Ų | 69 | 102 Ų | 102 | 42% | 0.418 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 173.7 | 171 | 0 | 0 | 0 | 0 | 110.9 | N921 K927 K928 M929 | N921-V925 WeakPolarHBondContact O-CB 3.4Å; N921-V925 VanDerWaalsContact O-CG2 3.3Å; N921-V925 WeakPolarHBondContact O-CG2 3.23Å; N921-V925 PolarHBondContact O-N 2.94Å; V925-K927 PolarHBondContact O-N 3.32Å; V925-K928 PolarHBondContact O-N 3.27Å; V925-M929 HydrophobicContact CG1-CG 4.43Å; V925-M929 HydrophobicContact CG1-SD 4.23Å; V925-M929 WeakPolarHBondContact O-CB 3.29Å; V925-M929 PolarHBondContact O-N 3.43Å |
| 926 | K | 78.7 | Confident | 80 | Confident | 113 Ų | 113 | 100.7 Ų | 100.7 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.5 | -40.1 | 172 | -176.6 | 177.2 | 179 | -178.1 | 0 | 110.4 | L922 S930 | L922-K926 WeakPolarHBondContact O-CB 2.86Å; L922-K926 PolarHBondContact O-N 2.91Å; K926-S930 VanDerWaalsContact O-CB 3.31Å; K926-S930 WeakPolarHBondContact O-CB 3.48Å; K926-S930 PolarHBondContact O-N 3.24Å; K926-S930 PolarHBondContact O-OG 2.84Å |
| 927 | K | 80.7 | Confident | 80 | Confident | 163 Ų | 163 | 101 Ų | 101 | 71% | 0.709 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.7 | -37.9 | 178.6 | -159.7 | 173.8 | -171.6 | 178.4 | 0 | 113.1 | T923 E924 V925 A931 | T923-K927 VanDerWaalsContact O-CB 3.28Å; T923-K927 WeakPolarHBondContact O-CB 3.08Å; T923-K927 PolarHBondContact O-N 3.43Å; E924-K927 PolarHBondContact O-N 2.91Å; V925-K927 PolarHBondContact O-N 3.32Å; K927-A931 PolarHBondContact O-N 3.29Å |
| 928 | K | 82 | Confident | 80 | Confident | 115 Ų | 115 | 101.7 Ų | 101.7 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -48.8 | 171.4 | -75 | 173.5 | -174.4 | 162.5 | 0 | 111.2 | E924 V925 S930 A931 E932 | E924-K928 WeakPolarHBondContact O-CG 3.41Å; E924-K928 PolarHBondContact O-N 3.21Å; E924-K928 WeakPolarHBondContact OE1-CE 3.22Å; E924-K928 IonicContact OE1-NZ 3.99Å; E924-K928 PolarHBondContact OE1-NZ 3.49Å; V925-K928 PolarHBondContact O-N 3.27Å; K928-S930 VanDerWaalsContact C-N 3.31Å; K928-S930 PolarHBondContact O-N 2.85Å; K928-A931 CarbonylContact O-C 3.52Å; K928-A931 WeakPolarHBondContact O-CA 3.08Å; K928-A931 WeakPolarHBondContact O-CB 3.42Å; K928-A931 PolarHBondContact O-N 2.96Å; K928-E932 PolarHBondContact O-N 2.69Å |
| 929 | M | 77.8 | Confident | 80 | Confident | 106 Ų | 106 | 99.8 Ų | 99.8 | 52% | 0.522 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -33.9 | 174.8 | -76 | -173.3 | 157 | 0 | 0 | 112.4 | V925 I933 | V925-M929 HydrophobicContact CG1-CG 4.43Å; V925-M929 HydrophobicContact CG1-SD 4.23Å; V925-M929 WeakPolarHBondContact O-CB 3.29Å; V925-M929 PolarHBondContact O-N 3.43Å; M929-I933 WeakPolarHBondContact O-CB 3.45Å; M929-I933 WeakPolarHBondContact O-CD1 3.49Å; M929-I933 WeakPolarHBondContact O-CG1 2.95Å; M929-I933 PolarHBondContact O-N 2.83Å |
| 930 | S | 78.4 | Confident | 79.8 | Confident | 58 Ų | 58 | 100.7 Ų | 100.7 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 171.2 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | K926 K928 I933 E934 | K926-S930 VanDerWaalsContact O-CB 3.31Å; K926-S930 WeakPolarHBondContact O-CB 3.48Å; K926-S930 PolarHBondContact O-N 3.24Å; K926-S930 PolarHBondContact O-OG 2.84Å; K928-S930 VanDerWaalsContact C-N 3.31Å; K928-S930 PolarHBondContact O-N 2.85Å; S930-I933 PolarHBondContact O-N 3.24Å; S930-E934 PolarHBondContact O-N 2.88Å |
| 931 | A | 79.9 | Confident | 79.7 | Confident | 56 Ų | 56 | 104.7 Ų | 104.7 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.5 | -44.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | K927 K928 I933 E934 E935 | K927-A931 PolarHBondContact O-N 3.29Å; K928-A931 CarbonylContact O-C 3.52Å; K928-A931 WeakPolarHBondContact O-CA 3.08Å; K928-A931 WeakPolarHBondContact O-CB 3.42Å; K928-A931 PolarHBondContact O-N 2.96Å; A931-I933 VanDerWaalsContact C-N 3.26Å; A931-I933 PolarHBondContact O-N 3.32Å; A931-E934 PolarHBondContact O-N 2.74Å; A931-E934 VanDerWaalsContact O-N 3.16Å; A931-E935 WeakPolarHBondContact O-CB 3.05Å; A931-E935 PolarHBondContact O-N 3.07Å |
| 932 | E | 80.1 | Confident | 79.5 | Confident | 112 Ų | 112 | 105 Ų | 105 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -33.8 | 171.2 | -70.8 | 177.6 | 151.6 | 0 | 0 | 111.5 | K928 L936 | K928-E932 PolarHBondContact O-N 2.69Å; E932-L936 WeakPolarHBondContact O-CB 3.45Å; E932-L936 WeakPolarHBondContact O-CG 3.19Å; E932-L936 PolarHBondContact O-N 2.92Å |
| 933 | I | 77.9 | Confident | 79.3 | Confident | 85 Ų | 85 | 104.7 Ų | 104.7 | 44% | 0.436 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -74.4 | -31.7 | 174.3 | -74.1 | 164.9 | 0 | 0 | 0 | 111.7 | M929 S930 A931 K937 | M929-I933 WeakPolarHBondContact O-CB 3.45Å; M929-I933 WeakPolarHBondContact O-CD1 3.49Å; M929-I933 WeakPolarHBondContact O-CG1 2.95Å; M929-I933 PolarHBondContact O-N 2.83Å; S930-I933 PolarHBondContact O-N 3.24Å; A931-I933 VanDerWaalsContact C-N 3.26Å; A931-I933 PolarHBondContact O-N 3.32Å; I933-K937 HydrophobicContact CG2-CD 4.05Å; I933-K937 HydrophobicContact CG2-CG 4.39Å; I933-K937 WeakPolarHBondContact O-CB 3.09Å; I933-K937 WeakPolarHBondContact O-CD 3.09Å; I933-K937 WeakPolarHBondContact O-CG 3.46Å; I933-K937 PolarHBondContact O-N 2.88Å |
| 934 | E | 79.3 | Confident | 79 | Confident | 133 Ų | 133 | 105.9 Ų | 105.9 | 62% | 0.621 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.9 | -39.2 | 170.5 | -78.8 | -168.6 | 139.6 | 0 | 0 | 111.8 | S930 A931 K937 K938 | S930-E934 PolarHBondContact O-N 2.88Å; A931-E934 PolarHBondContact O-N 2.74Å; A931-E934 VanDerWaalsContact O-N 3.16Å; E934-K937 PolarHBondContact O-N 3.29Å; E934-K938 WeakPolarHBondContact O-CB 3.33Å; E934-K938 PolarHBondContact O-N 2.81Å |
| 935 | E | 81.3 | Confident | 78.6 | Confident | 135 Ų | 135 | 103.8 Ų | 103.8 | 63% | 0.631 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.8 | -46.2 | 174.2 | -167.8 | 159.6 | -135.3 | 0 | 0 | 111.1 | A931 K937 K938 D939 | A931-E935 WeakPolarHBondContact O-CB 3.05Å; A931-E935 PolarHBondContact O-N 3.07Å; E935-K937 PolarHBondContact O-N 2.93Å; E935-K938 WeakPolarHBondContact O-CB 3.03Å; E935-K938 PolarHBondContact O-N 3.49Å; E935-D939 PolarHBondContact O-N 3.42Å |
| 936 | L | 78.3 | Confident | 78.2 | Confident | 105 Ų | 105 | 103.5 Ų | 103.5 | 55% | 0.55 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.7 | -32.3 | 172.4 | -73.9 | 170.9 | 0 | 0 | 0 | 113.1 | E932 K938 V940 | E932-L936 WeakPolarHBondContact O-CB 3.45Å; E932-L936 WeakPolarHBondContact O-CG 3.19Å; E932-L936 PolarHBondContact O-N 2.92Å; L936-K938 VanDerWaalsContact C-N 3.34Å; L936-V940 VanDerWaalsContact O-CB 3.23Å; L936-V940 WeakPolarHBondContact O-CB 3.33Å; L936-V940 WeakPolarHBondContact O-CG2 3.33Å; L936-V940 PolarHBondContact O-N 3.37Å |
| 937 | K | 79.2 | Confident | 77.7 | Confident | 135 Ų | 135 | 102.5 Ų | 102.5 | 59% | 0.587 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.6 | -38.3 | 172.6 | -86.1 | 171.4 | 179.2 | -179.3 | 0 | 111.4 | I933 E934 E935 V940 E941 | I933-K937 HydrophobicContact CG2-CD 4.05Å; I933-K937 HydrophobicContact CG2-CG 4.39Å; I933-K937 WeakPolarHBondContact O-CB 3.09Å; I933-K937 WeakPolarHBondContact O-CD 3.09Å; I933-K937 WeakPolarHBondContact O-CG 3.46Å; I933-K937 PolarHBondContact O-N 2.88Å; E934-K937 PolarHBondContact O-N 3.29Å; E935-K937 PolarHBondContact O-N 2.93Å; K937-V940 CarbonylContact O-C 3.56Å; K937-V940 PolarHBondContact O-N 2.79Å; K937-E941 PolarHBondContact O-N 3.4Å |
| 938 | K | 81 | Confident | 77.3 | Confident | 124 Ų | 124 | 101.8 Ų | 101.8 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70 | -43.2 | 175.7 | -175 | -169.8 | 166.1 | -137.6 | 0 | 111.7 | E934 E935 L936 V940 E941 D942 | E934-K938 WeakPolarHBondContact O-CB 3.33Å; E934-K938 PolarHBondContact O-N 2.81Å; E935-K938 WeakPolarHBondContact O-CB 3.03Å; E935-K938 PolarHBondContact O-N 3.49Å; L936-K938 VanDerWaalsContact C-N 3.34Å; K938-V940 PolarHBondContact O-N 2.89Å; K938-E941 PolarHBondContact O-N 3.23Å; K938-E941 VanDerWaalsContact O-N 3.09Å; K938-D942 PolarHBondContact O-N 3.34Å |
| 939 | D | 80.8 | Confident | 76.8 | Confident | 80 Ų | 80 | 102.9 Ų | 102.9 | 43% | 0.428 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.7 | -33.4 | 170.7 | -80.3 | 2.8 | 0 | 0 | 0 | 111 | E935 L943 | E935-D939 PolarHBondContact O-N 3.42Å; D939-L943 WeakPolarHBondContact O-CB 3.04Å; D939-L943 WeakPolarHBondContact O-CG 2.98Å; D939-L943 PolarHBondContact O-N 2.87Å |
| 940 | V | 75.6 | Confident | 76.2 | Confident | 69 Ų | 69 | 100.1 Ų | 100.1 | 42% | 0.418 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.5 | -35.4 | 170.9 | 165.2 | 0 | 0 | 0 | 0 | 112.2 | L936 K937 K938 L943 E944 | L936-V940 VanDerWaalsContact O-CB 3.23Å; L936-V940 WeakPolarHBondContact O-CB 3.33Å; L936-V940 WeakPolarHBondContact O-CG2 3.33Å; L936-V940 PolarHBondContact O-N 3.37Å; K937-V940 CarbonylContact O-C 3.56Å; K937-V940 PolarHBondContact O-N 2.79Å; K938-V940 PolarHBondContact O-N 2.89Å; V940-L943 CarbonylContact O-C 3.56Å; V940-L943 PolarHBondContact O-N 2.95Å; V940-E944 HydrophobicContact CG1-CG 4.15Å; V940-E944 WeakPolarHBondContact O-CA 3.25Å; V940-E944 WeakPolarHBondContact O-CB 3.03Å; V940-E944 VanDerWaalsContact O-CG 3.28Å; V940-E944 WeakPolarHBondContact O-CG 3.41Å; V940-E944 PolarHBondContact O-N 2.94Å |
| 941 | E | 78.7 | Confident | 75.5 | Confident | 138 Ų | 138 | 101.1 Ų | 101.1 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.5 | -43.3 | 171 | -76.8 | -173.5 | 133.3 | 0 | 0 | 111.7 | K937 K938 L943 E944 S945 | K937-E941 PolarHBondContact O-N 3.4Å; K938-E941 PolarHBondContact O-N 3.23Å; K938-E941 VanDerWaalsContact O-N 3.09Å; E941-L943 VanDerWaalsContact C-N 3.35Å; E941-E944 PolarHBondContact O-N 2.62Å; E941-S945 VanDerWaalsContact O-CB 3.28Å; E941-S945 WeakPolarHBondContact O-CB 3.38Å; E941-S945 PolarHBondContact O-N 2.96Å |
| 942 | D | 77 | Confident | 75 | Confident | 95 Ų | 95 | 105.4 Ų | 105.4 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.1 | -33.5 | 175.6 | -83.8 | -35.4 | 0 | 0 | 0 | 112 | K938 S946 | K938-D942 PolarHBondContact O-N 3.34Å; D942-S946 PolarHBondContact O-N 3.03Å; D942-S946 PolarHBondContact O-OG 3.05Å |
| 943 | L | 75.3 | Confident | 74.3 | Confident | 113 Ų | 113 | 107 Ų | 107 | 59% | 0.592 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -74.9 | -32.7 | 170.5 | -76.2 | 169 | 0 | 0 | 0 | 112.8 | D939 V940 E941 S946 L947 | D939-L943 WeakPolarHBondContact O-CB 3.04Å; D939-L943 WeakPolarHBondContact O-CG 2.98Å; D939-L943 PolarHBondContact O-N 2.87Å; V940-L943 CarbonylContact O-C 3.56Å; V940-L943 PolarHBondContact O-N 2.95Å; E941-L943 VanDerWaalsContact C-N 3.35Å; L943-S946 CarbonylContact O-C 3.56Å; L943-S946 WeakPolarHBondContact O-CA 3Å; L943-S946 WeakPolarHBondContact O-CB 3.34Å; L943-S946 PolarHBondContact O-N 3.18Å; L943-L947 WeakPolarHBondContact O-CA 3.28Å; L943-L947 WeakPolarHBondContact O-CB 3.41Å; L943-L947 PolarHBondContact O-N 2.8Å |
| 944 | E | 73.4 | Confident | 73.5 | Confident | 115 Ų | 115 | 107 Ų | 107 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.1 | -37.4 | 175.2 | -83.7 | -174 | 177.4 | 0 | 0 | 110.9 | V940 E941 S946 L947 Q948 | V940-E944 HydrophobicContact CG1-CG 4.15Å; V940-E944 WeakPolarHBondContact O-CA 3.25Å; V940-E944 WeakPolarHBondContact O-CB 3.03Å; V940-E944 VanDerWaalsContact O-CG 3.28Å; V940-E944 WeakPolarHBondContact O-CG 3.41Å; V940-E944 PolarHBondContact O-N 2.94Å; E941-E944 PolarHBondContact O-N 2.62Å; E944-S946 PolarHBondContact O-N 3.12Å; E944-L947 CarbonylContact O-C 3.36Å; E944-L947 PolarHBondContact O-N 2.84Å; E944-Q948 PolarHBondContact O-N 3.3Å |
| 945 | S | 73.6 | Confident | 72.9 | Confident | 60 Ų | 60 | 107 Ų | 107 | 42% | 0.42 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.5 | -34.3 | 166.6 | 171.6 | 0 | 0 | 0 | 0 | 112.4 | E941 | E941-S945 VanDerWaalsContact O-CB 3.28Å; E941-S945 WeakPolarHBondContact O-CB 3.38Å; E941-S945 PolarHBondContact O-N 2.96Å |
| 946 | S | 72.9 | Confident | 72.1 | Confident | 64 Ų | 64 | 105.1 Ų | 105.1 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -81.5 | -35.5 | 174.1 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | D942 L943 E944 K949 A950 | D942-S946 PolarHBondContact O-N 3.03Å; D942-S946 PolarHBondContact O-OG 3.05Å; L943-S946 CarbonylContact O-C 3.56Å; L943-S946 WeakPolarHBondContact O-CA 3Å; L943-S946 WeakPolarHBondContact O-CB 3.34Å; L943-S946 PolarHBondContact O-N 3.18Å; E944-S946 PolarHBondContact O-N 3.12Å; S946-K949 PolarHBondContact O-N 3.44Å; S946-A950 PolarHBondContact O-N 2.81Å |
| 947 | L | 68.9 | Low | 71.5 | Confident | 92 Ų | 92 | 106.5 Ų | 106.5 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -73.2 | -35.2 | -179.1 | -169.6 | 67.8 | 0 | 0 | 0 | 111 | L943 E944 K949 A950 E951 | L943-L947 WeakPolarHBondContact O-CA 3.28Å; L943-L947 WeakPolarHBondContact O-CB 3.41Å; L943-L947 PolarHBondContact O-N 2.8Å; E944-L947 CarbonylContact O-C 3.36Å; E944-L947 PolarHBondContact O-N 2.84Å; L947-K949 PolarHBondContact O-N 3.28Å; L947-A950 CarbonylContact O-C 3.49Å; L947-A950 WeakPolarHBondContact O-CA 3.41Å; L947-A950 PolarHBondContact O-N 3Å; L947-A950 VanDerWaalsContact O-N 3.1Å; L947-E951 HydrophobicContact CD1-CG 4.49Å; L947-E951 HydrophobicContact CG-CG 4.17Å; L947-E951 WeakPolarHBondContact O-CB 3.28Å; L947-E951 WeakPolarHBondContact O-CG 3.28Å; L947-E951 PolarHBondContact O-N 2.82Å |
| 948 | Q | 71.7 | Confident | 70.5 | Confident | 147 Ų | 147 | 102.2 Ų | 102.2 | 69% | 0.687 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.6 | -37.3 | 172.6 | -90.3 | -167.7 | 1.5 | 0 | 0 | 112.1 | E944 E951 Q952 | E944-Q948 PolarHBondContact O-N 3.3Å; Q948-E951 PolarHBondContact O-N 3.47Å; Q948-Q952 PolarHBondContact O-N 2.91Å |
| 949 | K | 71.8 | Confident | 69.7 | Low | 139 Ų | 139 | 100.9 Ų | 100.9 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.3 | -46.7 | 173.4 | -67.2 | 167 | -176.3 | 147.3 | 0 | 110.6 | S946 L947 E951 Q952 E953 | S946-K949 PolarHBondContact O-N 3.44Å; L947-K949 PolarHBondContact O-N 3.28Å; K949-E951 PolarHBondContact O-N 3.03Å; K949-Q952 PolarHBondContact O-N 2.82Å; K949-E953 PolarHBondContact O-N 3.4Å |
| 950 | A | 66.4 | Low | 69 | Low | 47 Ų | 47 | 103.2 Ų | 103.2 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -24.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S946 L947 E953 K954 | S946-A950 PolarHBondContact O-N 2.81Å; L947-A950 CarbonylContact O-C 3.49Å; L947-A950 WeakPolarHBondContact O-CA 3.41Å; L947-A950 PolarHBondContact O-N 3Å; L947-A950 VanDerWaalsContact O-N 3.1Å; A950-E953 CarbonylContact O-C 3.39Å; A950-E953 WeakPolarHBondContact O-CB 3.43Å; A950-E953 PolarHBondContact O-N 3.32Å; A950-K954 WeakPolarHBondContact O-CB 3.34Å; A950-K954 PolarHBondContact O-N 3.44Å |
| 951 | E | 63.2 | Low | 68.3 | Low | 79 Ų | 79 | 103.7 Ų | 103.7 | 37% | 0.369 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -87.1 | -21.7 | 179.4 | -78 | -146.2 | 123.3 | 0 | 0 | 113.7 | L947 Q948 K949 E953 K954 Q955 | L947-E951 HydrophobicContact CD1-CG 4.49Å; L947-E951 HydrophobicContact CG-CG 4.17Å; L947-E951 WeakPolarHBondContact O-CB 3.28Å; L947-E951 WeakPolarHBondContact O-CG 3.28Å; L947-E951 PolarHBondContact O-N 2.82Å; Q948-E951 PolarHBondContact O-N 3.47Å; K949-E951 PolarHBondContact O-N 3.03Å; E951-E953 VanDerWaalsContact C-N 3.28Å; E951-K954 HydrophobicContact CB-CB 4.47Å; E951-K954 HydrophobicContact CG-CB 4.32Å; E951-K954 HydrophobicContact CG-CD 4.38Å; E951-K954 PolarHBondContact O-N 2.78Å; E951-K954 IonicContact OE1-NZ 2.6Å; E951-K954 PolarHBondContact OE1-NZ 3.18Å; E951-Q955 WeakPolarHBondContact O-CB 2.99Å; E951-Q955 WeakPolarHBondContact O-CG 3.5Å; E951-Q955 PolarHBondContact O-N 2.85Å |
| 952 | Q | 68.6 | Low | 67.5 | Low | 147 Ų | 147 | 105 Ų | 105 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65 | -35.8 | 160.7 | -71.3 | -178.1 | -9.4 | 0 | 0 | 110.9 | Q948 K949 T956 | Q948-Q952 PolarHBondContact O-N 2.91Å; K949-Q952 PolarHBondContact O-N 2.82Å; Q952-T956 PolarHBondContact O-OG1 2.69Å |
| 953 | E | 65.9 | Low | 66.9 | Low | 145 Ų | 145 | 105 Ų | 105 | 68% | 0.678 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -73.7 | -29.9 | 169.4 | -60.2 | -168.7 | 153.6 | 0 | 0 | 112.9 | K949 A950 E951 T956 K957 | K949-E953 PolarHBondContact O-N 3.4Å; A950-E953 CarbonylContact O-C 3.39Å; A950-E953 WeakPolarHBondContact O-CB 3.43Å; A950-E953 PolarHBondContact O-N 3.32Å; E951-E953 VanDerWaalsContact C-N 3.28Å; E953-T956 PolarHBondContact O-OG1 3.47Å; E953-K957 WeakPolarHBondContact O-CG 3.38Å |
| 954 | K | 60.9 | Low | 66.1 | Low | 86 Ų | 86 | 104.8 Ų | 104.8 | 37% | 0.374 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -76.3 | -37.8 | 176.1 | -169.9 | 170.3 | 151.2 | -77.9 | 0 | 112.8 | A950 E951 T956 K957 D958 | A950-K954 WeakPolarHBondContact O-CB 3.34Å; A950-K954 PolarHBondContact O-N 3.44Å; E951-K954 HydrophobicContact CB-CB 4.47Å; E951-K954 HydrophobicContact CG-CB 4.32Å; E951-K954 HydrophobicContact CG-CD 4.38Å; E951-K954 PolarHBondContact O-N 2.78Å; E951-K954 IonicContact OE1-NZ 2.6Å; E951-K954 PolarHBondContact OE1-NZ 3.18Å; K954-T956 PolarHBondContact O-N 3.41Å; K954-K957 CarbonylContact O-C 3.49Å; K954-K957 WeakPolarHBondContact O-CA 2.93Å; K954-K957 WeakPolarHBondContact O-CB 3.34Å; K954-K957 PolarHBondContact O-N 2.78Å; K954-D958 VanDerWaalsContact CE-OD2 3.32Å; K954-D958 WeakPolarHBondContact CE-OD2 3.13Å; K954-D958 IonicContact NZ-OD2 2.98Å; K954-D958 PolarHBondContact NZ-OD2 3.44Å; K954-D958 PolarHBondContact O-N 2.85Å |
| 955 | Q | 65.9 | Low | 65.4 | Low | 131 Ų | 131 | 104.9 Ų | 104.9 | 61% | 0.612 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.2 | -33.9 | 177.6 | -80 | -174.8 | 3.4 | 0 | 0 | 112.2 | E951 K957 N959 | E951-Q955 WeakPolarHBondContact O-CB 2.99Å; E951-Q955 WeakPolarHBondContact O-CG 3.5Å; E951-Q955 PolarHBondContact O-N 2.85Å; Q955-K957 VanDerWaalsContact C-N 3.28Å; Q955-K957 PolarHBondContact O-N 2.74Å; Q955-N959 WeakPolarHBondContact O-CB 2.73Å; Q955-N959 PolarHBondContact O-N 3.42Å; Q955-N959 PolarHBondContact O-ND2 3.18Å |
| 956 | T | 66.1 | Low | 64.8 | Low | 96 Ų | 96 | 105.8 Ų | 105.8 | 59% | 0.589 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72.3 | -18.5 | 173 | 41.9 | 0 | 0 | 0 | 0 | 113.5 | Q952 E953 K954 | Q952-T956 PolarHBondContact O-OG1 2.69Å; E953-T956 PolarHBondContact O-OG1 3.47Å; K954-T956 PolarHBondContact O-N 3.41Å |
| 957 | K | 63.9 | Low | 64.1 | Low | 134 Ų | 134 | 109 Ų | 109 | 58% | 0.583 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -89.5 | -46.7 | 170.7 | -64 | -74.8 | -175.2 | 172.8 | 0 | 112.9 | E953 K954 Q955 N959 Q960 I961 | E953-K957 WeakPolarHBondContact O-CG 3.38Å; K954-K957 CarbonylContact O-C 3.49Å; K954-K957 WeakPolarHBondContact O-CA 2.93Å; K954-K957 WeakPolarHBondContact O-CB 3.34Å; K954-K957 PolarHBondContact O-N 2.78Å; Q955-K957 VanDerWaalsContact C-N 3.28Å; Q955-K957 PolarHBondContact O-N 2.74Å; K957-N959 PolarHBondContact O-N 2.87Å; K957-Q960 WeakPolarHBondContact O-CA 3.02Å; K957-Q960 VanDerWaalsContact O-CB 3.29Å; K957-Q960 WeakPolarHBondContact O-CB 2.96Å; K957-Q960 PolarHBondContact O-N 3.26Å; K957-I961 PolarHBondContact O-N 2.93Å |
| 958 | D | 59.6 | Low | 63.5 | Low | 45 Ų | 45 | 110.9 Ų | 110.9 | 24% | 0.241 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -62.4 | -31.8 | -178.9 | -77.9 | -6.1 | 0 | 0 | 0 | 111.5 | K954 Q960 I961 R962 | K954-D958 VanDerWaalsContact CE-OD2 3.32Å; K954-D958 WeakPolarHBondContact CE-OD2 3.13Å; K954-D958 IonicContact NZ-OD2 2.98Å; K954-D958 PolarHBondContact NZ-OD2 3.44Å; K954-D958 PolarHBondContact O-N 2.85Å; D958-Q960 PolarHBondContact O-N 2.88Å; D958-I961 PolarHBondContact O-N 3.49Å; D958-I961 VanDerWaalsContact O-N 3.09Å; D958-R962 WeakPolarHBondContact O-CG 3.05Å; D958-R962 PolarHBondContact O-N 3.49Å |
| 959 | N | 64.4 | Low | 62.9 | Low | 97 Ų | 97 | 106.7 Ų | 106.7 | 52% | 0.519 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -20.3 | 170.5 | -79.9 | -28.1 | 0 | 0 | 0 | 113.7 | Q955 K957 T963 | Q955-N959 WeakPolarHBondContact O-CB 2.73Å; Q955-N959 PolarHBondContact O-N 3.42Å; Q955-N959 PolarHBondContact O-ND2 3.18Å; K957-N959 PolarHBondContact O-N 2.87Å; N959-T963 PolarHBondContact O-OG1 2.89Å |
| 960 | Q | 66.1 | Low | 62.4 | Low | 129 Ų | 129 | 107 Ų | 107 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -84.8 | -35.4 | 169.2 | -53.8 | -174.5 | -47.7 | 0 | 0 | 111.5 | K957 D958 T963 | K957-Q960 WeakPolarHBondContact O-CA 3.02Å; K957-Q960 VanDerWaalsContact O-CB 3.29Å; K957-Q960 WeakPolarHBondContact O-CB 2.96Å; K957-Q960 PolarHBondContact O-N 3.26Å; D958-Q960 PolarHBondContact O-N 2.88Å; Q960-T963 WeakPolarHBondContact O-CB 2.85Å; Q960-T963 PolarHBondContact O-N 2.89Å |
| 961 | I | 59.4 | Low | 61.9 | Low | 78 Ų | 78 | 112.2 Ų | 112.2 | 40% | 0.4 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.5 | -37.9 | 178.8 | -62.9 | 174.2 | 0 | 0 | 0 | 111.5 | K957 D958 T963 L964 Q965 | K957-I961 PolarHBondContact O-N 2.93Å; D958-I961 PolarHBondContact O-N 3.49Å; D958-I961 VanDerWaalsContact O-N 3.09Å; I961-T963 PolarHBondContact O-N 2.79Å; I961-L964 PolarHBondContact O-N 3.14Å; I961-Q965 HydrophobicContact CG2-CG 4.21Å; I961-Q965 PolarHBondContact O-N 3.08Å |
| 962 | R | 61.8 | Low | 61.6 | Low | 166 Ų | 166 | 113.3 Ų | 113.3 | 63% | 0.626 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -56.8 | -34.5 | 174.5 | -75.5 | 173.7 | 178.4 | -170.7 | -2.6 | 112.5 | D958 S966 | D958-R962 WeakPolarHBondContact O-CG 3.05Å; D958-R962 PolarHBondContact O-N 3.49Å; R962-S966 PolarHBondContact O-N 3.45Å |
| 963 | T | 64.8 | Low | 61.1 | Low | 95 Ų | 95 | 112.4 Ų | 112.4 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.6 | -39.6 | 174.7 | -43.1 | 0 | 0 | 0 | 0 | 111.9 | N959 Q960 I961 S966 | N959-T963 PolarHBondContact O-OG1 2.89Å; Q960-T963 WeakPolarHBondContact O-CB 2.85Å; Q960-T963 PolarHBondContact O-N 2.89Å; I961-T963 PolarHBondContact O-N 2.79Å; T963-S966 WeakPolarHBondContact O-CB 3.19Å |
| 964 | L | 59.1 | Low | 60.7 | Low | 109 Ų | 109 | 113 Ų | 113 | 57% | 0.571 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -77.4 | -35.3 | 179.5 | -66 | 168.3 | 0 | 0 | 0 | 112.5 | I961 S966 E967 M968 | I961-L964 PolarHBondContact O-N 3.14Å; L964-S966 PolarHBondContact O-N 2.87Å; L964-E967 PolarHBondContact O-N 3.32Å; L964-M968 PolarHBondContact O-N 3.13Å |
| 965 | Q | 59.5 | Low | 60.5 | Low | 117 Ų | 117 | 113.6 Ų | 113.6 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.2 | -26.5 | 173.3 | -72.6 | 177.2 | -31.6 | 0 | 0 | 112.2 | I961 E967 M968 A969 | I961-Q965 HydrophobicContact CG2-CG 4.21Å; I961-Q965 PolarHBondContact O-N 3.08Å; Q965-E967 VanDerWaalsContact C-N 3.25Å; Q965-E967 PolarHBondContact O-N 2.74Å; Q965-M968 PolarHBondContact O-N 2.89Å; Q965-A969 PolarHBondContact O-N 3.14Å |
| 966 | S | 59.8 | Low | 60.2 | Low | 78 Ų | 78 | 109 Ų | 109 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.9 | -22 | 171.9 | -168.4 | 0 | 0 | 0 | 0 | 114.1 | R962 T963 L964 | R962-S966 PolarHBondContact O-N 3.45Å; T963-S966 WeakPolarHBondContact O-CB 3.19Å; L964-S966 PolarHBondContact O-N 2.87Å |
| 967 | E | 59 | Low | 59.9 | Low | 133 Ų | 133 | 111.6 Ų | 111.6 | 62% | 0.621 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -84.2 | -35.3 | 176 | -62.9 | -171.7 | 136.4 | 0 | 0 | 111.5 | L964 Q965 A969 Q970 | L964-E967 PolarHBondContact O-N 3.32Å; Q965-E967 VanDerWaalsContact C-N 3.25Å; Q965-E967 PolarHBondContact O-N 2.74Å; E967-A969 VanDerWaalsContact C-N 3.31Å; E967-A969 PolarHBondContact O-N 2.86Å; E967-Q970 PolarHBondContact O-N 3.43Å |
| 968 | M | 55.2 | Low | 59.1 | Low | 131 Ų | 131 | 111.8 Ų | 111.8 | 65% | 0.645 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.2 | -40.1 | 172.6 | -69.7 | -179.4 | 62.8 | 0 | 0 | 111.8 | L964 Q965 Q970 Q971 D972 | L964-M968 PolarHBondContact O-N 3.13Å; Q965-M968 PolarHBondContact O-N 2.89Å; M968-Q970 PolarHBondContact O-N 3.28Å; M968-Q970 VanDerWaalsContact O-N 3.13Å; M968-Q971 PolarHBondContact O-N 3.07Å; M968-D972 PolarHBondContact O-N 2.82Å |
| 969 | A | 59.3 | Low | 58.9 | Low | 58 Ų | 58 | 112.9 Ų | 112.9 | 48% | 0.479 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -57 | -28.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q965 E967 Q971 E973 | Q965-A969 PolarHBondContact O-N 3.14Å; E967-A969 VanDerWaalsContact C-N 3.31Å; E967-A969 PolarHBondContact O-N 2.86Å; A969-Q971 VanDerWaalsContact C-N 3.32Å; A969-Q971 PolarHBondContact O-N 3.3Å; A969-E973 PolarHBondContact O-N 2.61Å; A969-E973 VanDerWaalsContact O-N 3.1Å |
| 970 | Q | 61.2 | Low | 58.6 | Low | 145 Ų | 145 | 115.1 Ų | 115.1 | 68% | 0.678 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72 | -22.4 | 176.6 | -70.3 | -169 | -16.6 | 0 | 0 | 113.6 | E967 M968 | E967-Q970 PolarHBondContact O-N 3.43Å; M968-Q970 PolarHBondContact O-N 3.28Å; M968-Q970 VanDerWaalsContact O-N 3.13Å |
| 971 | Q | 55.3 | Low | 57.9 | Low | 157 Ų | 157 | 114.2 Ų | 114.2 | 73% | 0.734 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -82.5 | -40 | 176.3 | -62.6 | -167 | -9.1 | 0 | 0 | 111.2 | M968 A969 E973 M974 | M968-Q971 PolarHBondContact O-N 3.07Å; A969-Q971 VanDerWaalsContact C-N 3.32Å; A969-Q971 PolarHBondContact O-N 3.3Å; Q971-E973 VanDerWaalsContact C-N 3.3Å; Q971-E973 PolarHBondContact O-N 2.79Å; Q971-M974 PolarHBondContact O-N 3.46Å |
| 972 | D | 57.2 | Low | 57.5 | Low | 103 Ų | 103 | 115.6 Ų | 115.6 | 55% | 0.551 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.4 | -26.9 | 173 | -76 | -42.7 | 0 | 0 | 0 | 113.1 | M968 M974 I975 G976 | M968-D972 PolarHBondContact O-N 2.82Å; D972-M974 PolarHBondContact O-N 2.82Å; D972-I975 CarbonylContact O-C 3.52Å; D972-I975 WeakPolarHBondContact O-CA 3.16Å; D972-I975 WeakPolarHBondContact O-CB 3.41Å; D972-I975 PolarHBondContact O-N 3.38Å; D972-G976 PolarHBondContact O-N 3.04Å |
| 973 | E | 58.5 | Low | 57.2 | Low | 127 Ų | 127 | 113.8 Ų | 113.8 | 59% | 0.593 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.4 | -28.5 | 175.1 | -165.1 | -178.8 | -173.7 | 0 | 0 | 112.7 | A969 Q971 G976 | A969-E973 PolarHBondContact O-N 2.61Å; A969-E973 VanDerWaalsContact O-N 3.1Å; Q971-E973 VanDerWaalsContact C-N 3.3Å; Q971-E973 PolarHBondContact O-N 2.79Å; E973-G976 PolarHBondContact O-N 3.16Å |
| 974 | M | 58 | Low | 56.8 | Low | 157 Ų | 157 | 115 Ų | 115 | 77% | 0.773 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.6 | -32.2 | 175 | -168.3 | 153.5 | 168.6 | 0 | 0 | 112.4 | Q971 D972 | Q971-M974 PolarHBondContact O-N 3.46Å; D972-M974 PolarHBondContact O-N 2.82Å |
| 975 | I | 55.9 | Low | 56.3 | Low | 100 Ų | 100 | 114.6 Ų | 114.6 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -74.6 | -30.4 | 170.3 | -58 | 177.5 | 0 | 0 | 0 | 110.5 | D972 K977 L978 N979 | D972-I975 CarbonylContact O-C 3.52Å; D972-I975 WeakPolarHBondContact O-CA 3.16Å; D972-I975 WeakPolarHBondContact O-CB 3.41Å; D972-I975 PolarHBondContact O-N 3.38Å; I975-K977 PolarHBondContact O-N 3.37Å; I975-L978 PolarHBondContact O-N 3.42Å; I975-N979 PolarHBondContact O-N 3.14Å; I975-N979 PolarHBondContact O-ND2 3.27Å; I975-N979 VanDerWaalsContact O-ND2 3.16Å |
| 976 | G | 61 | Low | 56.3 | Low | 34 Ų | 34 | 112.8 Ų | 112.8 | 35% | 0.351 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61 | -19 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D972 E973 K980 | D972-G976 PolarHBondContact O-N 3.04Å; E973-G976 PolarHBondContact O-N 3.16Å; G976-K980 PolarHBondContact O-N 3.28Å |
| 977 | K | 59.6 | Low | 56.2 | Low | 150 Ų | 150 | 116.1 Ų | 116.1 | 65% | 0.652 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -37.8 | 177.1 | -76.1 | 176.3 | -179.4 | 165.9 | 0 | 113.6 | I975 K980 | I975-K977 PolarHBondContact O-N 3.37Å; K977-K980 VanDerWaalsContact O-CB 3.24Å; K977-K980 WeakPolarHBondContact O-CB 3.02Å; K977-K980 PolarHBondContact O-N 2.85Å; K977-K980 VanDerWaalsContact O-N 3.16Å |
| 978 | L | 47 | Very low | 56 | Low | 138 Ų | 138 | 116.2 Ų | 116.2 | 72% | 0.723 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -75.3 | -31.4 | 172.5 | -80.1 | 164.1 | 0 | 0 | 0 | 111.9 | I975 K980 D981 | I975-L978 PolarHBondContact O-N 3.42Å; L978-K980 PolarHBondContact O-N 2.63Å; L978-D981 PolarHBondContact O-N 2.98Å |
| 979 | N | 54.8 | Low | 56.2 | Low | 69 Ų | 69 | 113.2 Ų | 113.2 | 37% | 0.369 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.1 | 6.1 | 166.1 | -76.6 | -74.6 | 0 | 0 | 0 | 113.9 | I975 K982 | I975-N979 PolarHBondContact O-N 3.14Å; I975-N979 PolarHBondContact O-ND2 3.27Å; I975-N979 VanDerWaalsContact O-ND2 3.16Å; N979-K982 HydrophobicContact CB-CD 4.4Å; N979-K982 WeakPolarHBondContact OD1-CD 3.03Å; N979-K982 PolarHBondContact OD1-NZ 2.92Å |
| 980 | K | 57.7 | Low | 56.2 | Low | 143 Ų | 143 | 116.4 Ų | 116.4 | 62% | 0.622 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -98.1 | -30.7 | 175.5 | -130.7 | 168.3 | -173.7 | 171.8 | 0 | 113.7 | G976 K977 L978 K982 K983 N984 | G976-K980 PolarHBondContact O-N 3.28Å; K977-K980 VanDerWaalsContact O-CB 3.24Å; K977-K980 WeakPolarHBondContact O-CB 3.02Å; K977-K980 PolarHBondContact O-N 2.85Å; K977-K980 VanDerWaalsContact O-N 3.16Å; L978-K980 PolarHBondContact O-N 2.63Å; K980-K982 VanDerWaalsContact C-N 3.3Å; K980-K983 WeakPolarHBondContact O-CA 3.48Å; K980-K983 WeakPolarHBondContact O-CB 3.28Å; K980-K983 PolarHBondContact O-N 3.19Å; K980-N984 PolarHBondContact O-N 2.96Å |
| 981 | D | 52 | Low | 55.9 | Low | 110 Ų | 110 | 119.4 Ų | 119.4 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.8 | -39.3 | 164.9 | -69.9 | -33.3 | 0 | 0 | 0 | 110.4 | L978 K983 N984 L985 | L978-D981 PolarHBondContact O-N 2.98Å; D981-K983 PolarHBondContact O-N 2.99Å; D981-K983 VanDerWaalsContact O-N 3.1Å; D981-N984 PolarHBondContact O-N 3.39Å; D981-L985 PolarHBondContact O-N 2.79Å |
| 982 | K | 51.7 | Low | 55.9 | Low | 107 Ų | 107 | 114.2 Ų | 114.2 | 47% | 0.465 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -50.3 | -30.2 | 165.1 | -177.7 | -172 | 173.8 | -174.2 | 0 | 112.3 | N979 K980 L985 E986 | N979-K982 HydrophobicContact CB-CD 4.4Å; N979-K982 WeakPolarHBondContact OD1-CD 3.03Å; N979-K982 PolarHBondContact OD1-NZ 2.92Å; K980-K982 VanDerWaalsContact C-N 3.3Å; K982-L985 CarbonylContact O-C 3.57Å; K982-L985 WeakPolarHBondContact O-CA 2.91Å; K982-L985 WeakPolarHBondContact O-CB 3.23Å; K982-L985 PolarHBondContact O-N 3.28Å; K982-E986 VanDerWaalsContact CE-OE1 3.28Å; K982-E986 WeakPolarHBondContact CE-OE1 3.45Å; K982-E986 VanDerWaalsContact O-CG 3.31Å; K982-E986 WeakPolarHBondContact O-CG 3.27Å; K982-E986 PolarHBondContact O-N 2.81Å |
| 983 | K | 54.5 | Low | 56 | Low | 129 Ų | 129 | 114.5 Ų | 114.5 | 56% | 0.561 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -80.3 | -32.8 | 179.8 | -110.6 | -175.3 | 178.8 | -175.4 | 0 | 115.6 | K980 D981 L985 E986 E987 | K980-K983 WeakPolarHBondContact O-CA 3.48Å; K980-K983 WeakPolarHBondContact O-CB 3.28Å; K980-K983 PolarHBondContact O-N 3.19Å; D981-K983 PolarHBondContact O-N 2.99Å; D981-K983 VanDerWaalsContact O-N 3.1Å; K983-L985 VanDerWaalsContact C-N 3.27Å; K983-E986 VanDerWaalsContact CE-OE2 3.23Å; K983-E986 WeakPolarHBondContact CE-OE2 3.31Å; K983-E986 HydrophobicContact CG-CB 4.4Å; K983-E986 WeakPolarHBondContact CG-OE2 2.8Å; K983-E986 WeakPolarHBondContact O-CB 3.1Å; K983-E986 PolarHBondContact O-N 3.25Å; K983-E986 VanDerWaalsContact O-N 3.14Å; K983-E987 PolarHBondContact O-N 3.14Å |
| 984 | N | 56.1 | Low | 56.1 | Low | 120 Ų | 120 | 114.6 Ų | 114.6 | 64% | 0.642 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.6 | -32.9 | 165.9 | -75.7 | -4.2 | 0 | 0 | 0 | 110.5 | K980 D981 E986 E987 Q988 | K980-N984 PolarHBondContact O-N 2.96Å; D981-N984 PolarHBondContact O-N 3.39Å; N984-E986 VanDerWaalsContact C-N 3.32Å; N984-E987 PolarHBondContact O-N 2.69Å; N984-Q988 WeakPolarHBondContact O-CB 3.22Å; N984-Q988 PolarHBondContact O-N 3.22Å |
| 985 | L | 49.4 | Very low | 56.1 | Low | 101 Ų | 101 | 110 Ų | 110 | 53% | 0.529 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67 | -27.1 | 166.6 | -107.4 | 164.9 | 0 | 0 | 0 | 113 | D981 K982 K983 N989 | D981-L985 PolarHBondContact O-N 2.79Å; K982-L985 CarbonylContact O-C 3.57Å; K982-L985 WeakPolarHBondContact O-CA 2.91Å; K982-L985 WeakPolarHBondContact O-CB 3.23Å; K982-L985 PolarHBondContact O-N 3.28Å; K983-L985 VanDerWaalsContact C-N 3.27Å; L985-N989 WeakPolarHBondContact O-CA 3.08Å; L985-N989 WeakPolarHBondContact O-CB 3.48Å; L985-N989 PolarHBondContact O-N 2.82Å; L985-N989 PolarHBondContact O-ND2 3.38Å |
| 986 | E | 59 | Low | 56.2 | Low | 79 Ų | 79 | 107.9 Ų | 107.9 | 37% | 0.369 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.2 | -36 | 172.8 | -78.9 | 163.7 | -162.2 | 0 | 0 | 112.2 | K982 K983 N984 N989 K990 | K982-E986 VanDerWaalsContact CE-OE1 3.28Å; K982-E986 WeakPolarHBondContact CE-OE1 3.45Å; K982-E986 VanDerWaalsContact O-CG 3.31Å; K982-E986 WeakPolarHBondContact O-CG 3.27Å; K982-E986 PolarHBondContact O-N 2.81Å; K983-E986 VanDerWaalsContact CE-OE2 3.23Å; K983-E986 WeakPolarHBondContact CE-OE2 3.31Å; K983-E986 HydrophobicContact CG-CB 4.4Å; K983-E986 WeakPolarHBondContact CG-OE2 2.8Å; K983-E986 WeakPolarHBondContact O-CB 3.1Å; K983-E986 PolarHBondContact O-N 3.25Å; K983-E986 VanDerWaalsContact O-N 3.14Å; N984-E986 VanDerWaalsContact C-N 3.32Å; E986-N989 CarbonylContact O-C 3.44Å; E986-N989 WeakPolarHBondContact O-CA 3.43Å; E986-N989 PolarHBondContact O-N 2.95Å; E986-K990 PolarHBondContact O-N 2.86Å |
| 987 | E | 57.1 | Low | 56.1 | Low | 148 Ų | 148 | 110.7 Ų | 110.7 | 69% | 0.692 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -80.7 | -35.5 | 176.1 | -168.9 | 163.6 | -125.2 | 0 | 0 | 112.5 | K983 N984 N989 K990 R991 | K983-E987 PolarHBondContact O-N 3.14Å; N984-E987 PolarHBondContact O-N 2.69Å; E987-N989 VanDerWaalsContact C-N 3.3Å; E987-K990 WeakPolarHBondContact O-CB 3.28Å; E987-K990 PolarHBondContact O-N 3.32Å; E987-R991 PolarHBondContact O-N 3.45Å |
| 988 | Q | 54.6 | Low | 56 | Low | 134 Ų | 134 | 106.3 Ų | 106.3 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | 162 | -169.7 | 168.3 | 4.8 | 0 | 0 | 109.3 | N984 K990 R991 T992 | N984-Q988 WeakPolarHBondContact O-CB 3.22Å; N984-Q988 PolarHBondContact O-N 3.22Å; Q988-K990 PolarHBondContact O-N 3.37Å; Q988-K990 VanDerWaalsContact O-N 3.08Å; Q988-R991 CarbonylContact O-C 3.54Å; Q988-R991 PolarHBondContact O-N 3.49Å; Q988-R991 VanDerWaalsContact O-N 3.16Å; Q988-T992 PolarHBondContact O-N 2.95Å; Q988-T992 PolarHBondContact O-OG1 2.81Å |
| 989 | N | 59.4 | Low | 56.5 | Low | 68 Ų | 68 | 102.7 Ų | 102.7 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -3.7 | 170 | -83.8 | -15.7 | 0 | 0 | 0 | 114.5 | L985 E986 E987 Q993 | L985-N989 WeakPolarHBondContact O-CA 3.08Å; L985-N989 WeakPolarHBondContact O-CB 3.48Å; L985-N989 PolarHBondContact O-N 2.82Å; L985-N989 PolarHBondContact O-ND2 3.38Å; E986-N989 CarbonylContact O-C 3.44Å; E986-N989 WeakPolarHBondContact O-CA 3.43Å; E986-N989 PolarHBondContact O-N 2.95Å; E987-N989 VanDerWaalsContact C-N 3.3Å; N989-Q993 WeakPolarHBondContact O-CA 3.43Å; N989-Q993 WeakPolarHBondContact O-CB 3.35Å; N989-Q993 WeakPolarHBondContact O-CG 3.4Å; N989-Q993 PolarHBondContact O-N 2.92Å; N989-Q993 PolarHBondContact O-OE1 3.13Å |
| 990 | K | 59.7 | Low | 56.7 | Low | 126 Ų | 126 | 102.6 Ų | 102.6 | 55% | 0.548 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -88.5 | -36.8 | 170.5 | -155.5 | 178.1 | -177 | -172.5 | 0 | 111.4 | E986 E987 Q988 Q993 E994 | E986-K990 PolarHBondContact O-N 2.86Å; E987-K990 WeakPolarHBondContact O-CB 3.28Å; E987-K990 PolarHBondContact O-N 3.32Å; Q988-K990 PolarHBondContact O-N 3.37Å; Q988-K990 VanDerWaalsContact O-N 3.08Å; K990-Q993 CarbonylContact O-C 3.59Å; K990-Q993 PolarHBondContact O-N 3.31Å; K990-E994 PolarHBondContact O-N 2.86Å |
| 991 | R | 55 | Low | 56.8 | Low | 208 Ų | 208 | 100.7 Ų | 100.7 | 79% | 0.785 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -78.9 | -25.7 | 166.3 | -79.9 | -175.4 | 173.2 | 169.6 | -0.2 | 113.3 | E987 Q988 A995 | E987-R991 PolarHBondContact O-N 3.45Å; Q988-R991 CarbonylContact O-C 3.54Å; Q988-R991 PolarHBondContact O-N 3.49Å; Q988-R991 VanDerWaalsContact O-N 3.16Å; R991-A995 WeakPolarHBondContact O-CB 3.34Å; R991-A995 PolarHBondContact O-N 3.12Å |
| 992 | T | 55.4 | Low | 57 | Low | 48 Ų | 48 | 101 Ų | 101 | 29% | 0.294 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -69.8 | 156.8 | -36.5 | 0 | 0 | 0 | 0 | 105.9 | Q988 E994 A995 L996 | Q988-T992 PolarHBondContact O-N 2.95Å; Q988-T992 PolarHBondContact O-OG1 2.81Å; T992-E994 CarbonylContact O-C 3.53Å; T992-E994 PolarHBondContact O-N 3Å; T992-A995 CarbonylContact O-C 3.5Å; T992-A995 VanDerWaalsContact O-CA 3.3Å; T992-A995 WeakPolarHBondContact O-CA 3.48Å; T992-A995 PolarHBondContact O-N 3.01Å; T992-L996 VanDerWaalsContact C-CB 3.43Å; T992-L996 HydrophobicContact CG2-CB 3.8Å; T992-L996 HydrophobicContact CG2-CD1 4.08Å; T992-L996 HydrophobicContact CG2-CD2 4.41Å; T992-L996 HydrophobicContact CG2-CG 4.32Å; T992-L996 WeakPolarHBondContact O-CA 3.2Å; T992-L996 WeakPolarHBondContact O-CB 3.33Å; T992-L996 PolarHBondContact O-N 3.3Å |
| 993 | Q | 59.9 | Low | 57.3 | Low | 108 Ų | 108 | 97.8 Ų | 97.8 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -49.8 | -15.5 | 179.8 | -79.5 | 175.7 | -38.5 | 0 | 0 | 117.3 | N989 K990 L996 Q997 | N989-Q993 WeakPolarHBondContact O-CA 3.43Å; N989-Q993 WeakPolarHBondContact O-CB 3.35Å; N989-Q993 WeakPolarHBondContact O-CG 3.4Å; N989-Q993 PolarHBondContact O-N 2.92Å; N989-Q993 PolarHBondContact O-OE1 3.13Å; K990-Q993 CarbonylContact O-C 3.59Å; K990-Q993 PolarHBondContact O-N 3.31Å; Q993-L996 CarbonylContact O-C 3.59Å; Q993-Q997 WeakPolarHBondContact O-CA 3.05Å; Q993-Q997 WeakPolarHBondContact O-CB 3.31Å; Q993-Q997 PolarHBondContact O-N 2.76Å |
| 994 | E | 60.3 | Low | 57.6 | Low | 130 Ų | 130 | 94.3 Ų | 94.3 | 61% | 0.607 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -91.1 | -41.9 | 165.2 | -75.7 | 174 | -176.1 | 0 | 0 | 112 | K990 T992 L996 Q997 A998 | K990-E994 PolarHBondContact O-N 2.86Å; T992-E994 CarbonylContact O-C 3.53Å; T992-E994 PolarHBondContact O-N 3Å; E994-L996 PolarHBondContact O-N 3.37Å; E994-Q997 PolarHBondContact O-N 2.92Å; E994-A998 WeakPolarHBondContact O-CB 3.16Å; E994-A998 PolarHBondContact O-N 3.45Å |
| 995 | A | 58.9 | Low | 57.9 | Low | 59 Ų | 59 | 94.4 Ų | 94.4 | 49% | 0.488 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.4 | -8 | 166 | 0 | 0 | 0 | 0 | 0 | 114 | R991 T992 E999 | R991-A995 WeakPolarHBondContact O-CB 3.34Å; R991-A995 PolarHBondContact O-N 3.12Å; T992-A995 CarbonylContact O-C 3.5Å; T992-A995 VanDerWaalsContact O-CA 3.3Å; T992-A995 WeakPolarHBondContact O-CA 3.48Å; T992-A995 PolarHBondContact O-N 3.01Å; A995-E999 WeakPolarHBondContact O-CA 3.15Å; A995-E999 WeakPolarHBondContact O-CB 3Å; A995-E999 WeakPolarHBondContact O-CG 3.02Å; A995-E999 PolarHBondContact O-N 2.89Å |
| 996 | L | 56.7 | Low | 58.2 | Low | 57 Ų | 57 | 93.2 Ų | 93.2 | 30% | 0.298 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.9 | 29.3 | -177.1 | -169.7 | 121.3 | 0 | 0 | 0 | 107.6 | T992 Q993 E994 E999 E1000 | T992-L996 VanDerWaalsContact C-CB 3.43Å; T992-L996 HydrophobicContact CG2-CB 3.8Å; T992-L996 HydrophobicContact CG2-CD1 4.08Å; T992-L996 HydrophobicContact CG2-CD2 4.41Å; T992-L996 HydrophobicContact CG2-CG 4.32Å; T992-L996 WeakPolarHBondContact O-CA 3.2Å; T992-L996 WeakPolarHBondContact O-CB 3.33Å; T992-L996 PolarHBondContact O-N 3.3Å; Q993-L996 CarbonylContact O-C 3.59Å; E994-L996 PolarHBondContact O-N 3.37Å; L996-E999 HydrophobicContact CB-CB 4.38Å; L996-E1000 HydrophobicContact CD2-CG 4.02Å; L996-E1000 WeakPolarHBondContact CD2-OE1 3.1Å; L996-E1000 HydrophobicContact CG-CG 4.04Å; L996-E1000 WeakPolarHBondContact O-CB 2.98Å; L996-E1000 WeakPolarHBondContact O-CG 3.42Å; L996-E1000 PolarHBondContact O-N 3.26Å |
| 997 | Q | 58.6 | Low | 58.5 | Low | 93 Ų | 93 | 92 Ų | 92 | 44% | 0.435 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -21.3 | 139.8 | -170.1 | 81.9 | 68.5 | 0 | 0 | 107.3 | Q993 E994 E1000 D1001 | Q993-Q997 WeakPolarHBondContact O-CA 3.05Å; Q993-Q997 WeakPolarHBondContact O-CB 3.31Å; Q993-Q997 PolarHBondContact O-N 2.76Å; E994-Q997 PolarHBondContact O-N 2.92Å; Q997-E1000 CarbonylContact O-C 3.38Å; Q997-D1001 PolarHBondContact NE2-OD1 2.78Å; Q997-D1001 WeakPolarHBondContact O-CA 3.31Å; Q997-D1001 WeakPolarHBondContact O-CB 3.41Å; Q997-D1001 PolarHBondContact O-N 3.29Å |
| 998 | A | 58.4 | Low | 58.7 | Low | 57 Ų | 57 | 92 Ų | 92 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.4 | -32.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E994 K1002 | E994-A998 WeakPolarHBondContact O-CB 3.16Å; E994-A998 PolarHBondContact O-N 3.45Å; A998-K1002 WeakPolarHBondContact O-CA 3.45Å; A998-K1002 WeakPolarHBondContact O-CB 3.37Å; A998-K1002 WeakPolarHBondContact O-CG 3.05Å; A998-K1002 PolarHBondContact O-N 2.84Å |
| 999 | E | 57.8 | Low | 58.8 | Low | 63 Ų | 63 | 88.8 Ų | 88.8 | 29% | 0.294 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -109.9 | 20.4 | 166.9 | -55 | -82.1 | 169.9 | 0 | 0 | 112 | A995 L996 K1002 V1003 | A995-E999 WeakPolarHBondContact O-CA 3.15Å; A995-E999 WeakPolarHBondContact O-CB 3Å; A995-E999 WeakPolarHBondContact O-CG 3.02Å; A995-E999 PolarHBondContact O-N 2.89Å; L996-E999 HydrophobicContact CB-CB 4.38Å; E999-K1002 HydrophobicContact CG-CD 4.3Å; E999-K1002 WeakPolarHBondContact OE1-CD 3.24Å; E999-K1002 WeakPolarHBondContact OE1-CE 3.36Å; E999-K1002 IonicContact OE1-NZ 3.78Å; E999-K1002 PolarHBondContact OE1-NZ 3.43Å; E999-K1002 WeakPolarHBondContact OE2-CB 3.44Å; E999-K1002 WeakPolarHBondContact OE2-CD 3.46Å; E999-V1003 HydrophobicContact CB-CG2 4Å; E999-V1003 VanDerWaalsContact O-CA 3.23Å; E999-V1003 WeakPolarHBondContact O-CA 3.49Å; E999-V1003 WeakPolarHBondContact O-CB 2.94Å; E999-V1003 WeakPolarHBondContact O-CG2 3.49Å; E999-V1003 PolarHBondContact O-N 2.84Å |
| 1000 | E | 58 | Low | 59 | Low | 66 Ų | 66 | 89.5 Ų | 89.5 | 31% | 0.308 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -114.9 | -2.2 | 147.7 | -86.7 | -179.6 | -148.8 | 0 | 0 | 111 | L996 Q997 N1004 | L996-E1000 HydrophobicContact CD2-CG 4.02Å; L996-E1000 WeakPolarHBondContact CD2-OE1 3.1Å; L996-E1000 HydrophobicContact CG-CG 4.04Å; L996-E1000 WeakPolarHBondContact O-CB 2.98Å; L996-E1000 WeakPolarHBondContact O-CG 3.42Å; L996-E1000 PolarHBondContact O-N 3.26Å; Q997-E1000 CarbonylContact O-C 3.38Å; E1000-N1004 WeakPolarHBondContact CB-ND2 3.23Å; E1000-N1004 WeakPolarHBondContact O-CA 2.99Å; E1000-N1004 WeakPolarHBondContact O-CB 3.39Å; E1000-N1004 PolarHBondContact O-N 3.42Å; E1000-N1004 PolarHBondContact O-ND2 3.14Å |
| 1001 | D | 59.9 | Low | 59.1 | Low | 103 Ų | 103 | 86.3 Ų | 86.3 | 55% | 0.551 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -99.9 | -25.1 | 157.3 | -65.5 | -8.7 | 0 | 0 | 0 | 109.4 | Q997 H1005 | Q997-D1001 PolarHBondContact NE2-OD1 2.78Å; Q997-D1001 WeakPolarHBondContact O-CA 3.31Å; Q997-D1001 WeakPolarHBondContact O-CB 3.41Å; Q997-D1001 PolarHBondContact O-N 3.29Å; D1001-H1005 VanDerWaalsContact O-CA 3.31Å; D1001-H1005 WeakPolarHBondContact O-CA 2.99Å; D1001-H1005 WeakPolarHBondContact O-CB 3.36Å; D1001-H1005 PolarHBondContact O-N 3.15Å |
| 1002 | K | 56.6 | Low | 59.2 | Low | 118 Ų | 118 | 83 Ų | 83 | 51% | 0.513 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -89 | -16.9 | 156 | -67.8 | 169.5 | 175.5 | -176 | 0 | 114.5 | A998 E999 H1005 L1006 | A998-K1002 WeakPolarHBondContact O-CA 3.45Å; A998-K1002 WeakPolarHBondContact O-CB 3.37Å; A998-K1002 WeakPolarHBondContact O-CG 3.05Å; A998-K1002 PolarHBondContact O-N 2.84Å; E999-K1002 HydrophobicContact CG-CD 4.3Å; E999-K1002 WeakPolarHBondContact OE1-CD 3.24Å; E999-K1002 WeakPolarHBondContact OE1-CE 3.36Å; E999-K1002 IonicContact OE1-NZ 3.78Å; E999-K1002 PolarHBondContact OE1-NZ 3.43Å; E999-K1002 WeakPolarHBondContact OE2-CB 3.44Å; E999-K1002 WeakPolarHBondContact OE2-CD 3.46Å; K1002-H1005 CarbonylContact O-C 3.56Å; K1002-L1006 WeakPolarHBondContact O-CA 3.41Å; K1002-L1006 WeakPolarHBondContact O-CB 3.32Å; K1002-L1006 VanDerWaalsContact O-CD1 3.29Å; K1002-L1006 WeakPolarHBondContact O-CD1 3.26Å; K1002-L1006 WeakPolarHBondContact O-CG 2.74Å; K1002-L1006 PolarHBondContact O-N 3.19Å |
| 1003 | V | 58.8 | Low | 59.3 | Low | 38 Ų | 38 | 84.7 Ų | 84.7 | 23% | 0.23 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 24.8 | 165.2 | -155 | 0 | 0 | 0 | 0 | 112.4 | E999 L1006 N1007 | E999-V1003 HydrophobicContact CB-CG2 4Å; E999-V1003 VanDerWaalsContact O-CA 3.23Å; E999-V1003 WeakPolarHBondContact O-CA 3.49Å; E999-V1003 WeakPolarHBondContact O-CB 2.94Å; E999-V1003 WeakPolarHBondContact O-CG2 3.49Å; E999-V1003 PolarHBondContact O-N 2.84Å; V1003-L1006 HydrophobicContact CB-CB 4.17Å; V1003-L1006 HydrophobicContact CG1-CB 3.95Å; V1003-L1006 HydrophobicContact CG2-CB 4.12Å; V1003-L1006 HydrophobicContact CG2-CD1 4.22Å; V1003-N1007 WeakPolarHBondContact O-CA 3.37Å; V1003-N1007 WeakPolarHBondContact O-CB 3.31Å; V1003-N1007 PolarHBondContact O-N 3.42Å; V1003-N1007 PolarHBondContact O-ND2 2.92Å |
| 1004 | N | 60.8 | Low | 59.4 | Low | 56 Ų | 56 | 83.5 Ų | 83.5 | 30% | 0.299 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | -2.6 | 135.9 | -55.7 | -63.3 | 0 | 0 | 0 | 111.5 | E1000 K1008 | E1000-N1004 WeakPolarHBondContact CB-ND2 3.23Å; E1000-N1004 WeakPolarHBondContact O-CA 2.99Å; E1000-N1004 WeakPolarHBondContact O-CB 3.39Å; E1000-N1004 PolarHBondContact O-N 3.42Å; E1000-N1004 PolarHBondContact O-ND2 3.14Å; N1004-K1008 WeakPolarHBondContact O-CA 3.25Å; N1004-K1008 WeakPolarHBondContact O-CB 3.14Å; N1004-K1008 WeakPolarHBondContact O-CD 2.86Å; N1004-K1008 WeakPolarHBondContact O-CG 2.98Å; N1004-K1008 PolarHBondContact O-N 3.17Å |
| 1005 | H | 62.4 | Low | 59.6 | Low | 123 Ų | 123 | 79.7 Ų | 79.7 | 57% | 0.569 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -30.3 | 146.2 | -173.4 | 89.5 | 0 | 0 | 0 | 110.7 | D1001 K1002 K1008 L1009 | D1001-H1005 VanDerWaalsContact O-CA 3.31Å; D1001-H1005 WeakPolarHBondContact O-CA 2.99Å; D1001-H1005 WeakPolarHBondContact O-CB 3.36Å; D1001-H1005 PolarHBondContact O-N 3.15Å; K1002-H1005 CarbonylContact O-C 3.56Å; H1005-K1008 CarbonylContact O-C 3.58Å; H1005-L1009 WeakPolarHBondContact O-CA 3.03Å; H1005-L1009 WeakPolarHBondContact O-CB 3.45Å; H1005-L1009 PolarHBondContact O-N 2.9Å |
| 1006 | L | 55.9 | Low | 59.6 | Low | 75 Ų | 75 | 78.7 Ų | 78.7 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -98.3 | 2.5 | 166.6 | -61.1 | 160.5 | 0 | 0 | 0 | 113.3 | K1002 V1003 L1009 K1010 | K1002-L1006 WeakPolarHBondContact O-CA 3.41Å; K1002-L1006 WeakPolarHBondContact O-CB 3.32Å; K1002-L1006 VanDerWaalsContact O-CD1 3.29Å; K1002-L1006 WeakPolarHBondContact O-CD1 3.26Å; K1002-L1006 WeakPolarHBondContact O-CG 2.74Å; K1002-L1006 PolarHBondContact O-N 3.19Å; V1003-L1006 HydrophobicContact CB-CB 4.17Å; V1003-L1006 HydrophobicContact CG1-CB 3.95Å; V1003-L1006 HydrophobicContact CG2-CB 4.12Å; V1003-L1006 HydrophobicContact CG2-CD1 4.22Å; L1006-L1009 HydrophobicContact CB-CB 4.39Å; L1006-L1009 HydrophobicContact CD2-CB 3.82Å; L1006-L1009 HydrophobicContact CD2-CD2 3.76Å; L1006-L1009 HydrophobicContact CD2-CG 4.45Å; L1006-K1010 VanDerWaalsContact C-N 3.32Å; L1006-K1010 VanDerWaalsContact O-CA 3.26Å; L1006-K1010 WeakPolarHBondContact O-CA 3.36Å; L1006-K1010 WeakPolarHBondContact O-CB 3.33Å; L1006-K1010 PolarHBondContact O-N 3.34Å |
| 1007 | N | 63.5 | Low | 59.8 | Low | 55 Ų | 55 | 79.7 Ų | 79.7 | 29% | 0.294 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -106.2 | 3.1 | 148.2 | -71 | -34.1 | 0 | 0 | 0 | 111.5 | V1003 A1011 | V1003-N1007 WeakPolarHBondContact O-CA 3.37Å; V1003-N1007 WeakPolarHBondContact O-CB 3.31Å; V1003-N1007 PolarHBondContact O-N 3.42Å; V1003-N1007 PolarHBondContact O-ND2 2.92Å; N1007-A1011 VanDerWaalsContact C-N 3.31Å; N1007-A1011 WeakPolarHBondContact O-CA 3.37Å; N1007-A1011 WeakPolarHBondContact O-CB 3.34Å; N1007-A1011 PolarHBondContact O-N 2.97Å |
| 1008 | K | 61.1 | Low | 60.2 | Low | 146 Ų | 146 | 80.3 Ų | 80.3 | 64% | 0.635 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -99.5 | -8.4 | 149.6 | -65.9 | 165.2 | -170.3 | 166.3 | 0 | 111.8 | N1004 H1005 K1012 | N1004-K1008 WeakPolarHBondContact O-CA 3.25Å; N1004-K1008 WeakPolarHBondContact O-CB 3.14Å; N1004-K1008 WeakPolarHBondContact O-CD 2.86Å; N1004-K1008 WeakPolarHBondContact O-CG 2.98Å; N1004-K1008 PolarHBondContact O-N 3.17Å; H1005-K1008 CarbonylContact O-C 3.58Å; K1008-K1012 WeakPolarHBondContact O-CB 3.14Å; K1008-K1012 WeakPolarHBondContact O-CD 3.49Å; K1008-K1012 WeakPolarHBondContact O-CG 3.36Å |
| 1009 | L | 57.1 | Low | 60.4 | Low | 67 Ų | 67 | 81.7 Ų | 81.7 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -92.6 | -30.9 | 158.6 | -123.7 | 73.7 | 0 | 0 | 0 | 109.6 | H1005 L1006 K1012 L1013 | H1005-L1009 WeakPolarHBondContact O-CA 3.03Å; H1005-L1009 WeakPolarHBondContact O-CB 3.45Å; H1005-L1009 PolarHBondContact O-N 2.9Å; L1006-L1009 HydrophobicContact CB-CB 4.39Å; L1006-L1009 HydrophobicContact CD2-CB 3.82Å; L1006-L1009 HydrophobicContact CD2-CD2 3.76Å; L1006-L1009 HydrophobicContact CD2-CG 4.45Å; L1009-K1012 CarbonylContact O-C 3.45Å; L1009-K1012 VanDerWaalsContact O-CA 3.32Å; L1009-K1012 WeakPolarHBondContact O-CA 2.91Å; L1009-K1012 PolarHBondContact O-N 3.15Å; L1009-K1012 VanDerWaalsContact O-N 3.16Å; L1009-L1013 HydrophobicContact CB-CD1 4.2Å; L1009-L1013 HydrophobicContact CD2-CD1 4.08Å; L1009-L1013 HydrophobicContact CG-CD1 4.09Å; L1009-L1013 VanDerWaalsContact O-CA 3.27Å; L1009-L1013 WeakPolarHBondContact O-CA 3.42Å; L1009-L1013 WeakPolarHBondContact O-CB 3.33Å; L1009-L1013 WeakPolarHBondContact O-CD1 3.31Å; L1009-L1013 WeakPolarHBondContact O-CG 3.44Å; L1009-L1013 PolarHBondContact O-N 3.38Å |
| 1010 | K | 63.5 | Low | 60.3 | Low | 84 Ų | 84 | 83.9 Ų | 83.9 | 37% | 0.365 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -97.6 | -5.5 | 171.6 | -169.2 | -179.2 | 154.5 | -67.1 | 0 | 114.2 | L1006 K1012 E1014 | L1006-K1010 VanDerWaalsContact C-N 3.32Å; L1006-K1010 VanDerWaalsContact O-CA 3.26Å; L1006-K1010 WeakPolarHBondContact O-CA 3.36Å; L1006-K1010 WeakPolarHBondContact O-CB 3.33Å; L1006-K1010 PolarHBondContact O-N 3.34Å; K1010-K1012 VanDerWaalsContact C-N 3.27Å; K1010-E1014 VanDerWaalsContact CE-CD 3.42Å; K1010-E1014 WeakPolarHBondContact CE-OE1 3.2Å; K1010-E1014 HydrophobicContact CG-CB 4.46Å; K1010-E1014 HydrophobicContact CG-CG 3.65Å; K1010-E1014 WeakPolarHBondContact CG-OE2 3.3Å; K1010-E1014 IonicContact NZ-OE1 3.79Å; K1010-E1014 PolarHBondContact NZ-OE1 3.25Å; K1010-E1014 IonicContact NZ-OE2 3.95Å; K1010-E1014 PolarHBondContact NZ-OE2 3.18Å; K1010-E1014 WeakPolarHBondContact O-CA 3.48Å; K1010-E1014 WeakPolarHBondContact O-CB 3.4Å; K1010-E1014 WeakPolarHBondContact O-CG 3.36Å; K1010-E1014 PolarHBondContact O-N 2.84Å |
| 1011 | A | 62.7 | Low | 60.6 | Low | 59 Ų | 59 | 86 Ų | 86 | 49% | 0.488 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -97 | 22.6 | 143.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N1007 S1015 | N1007-A1011 VanDerWaalsContact C-N 3.31Å; N1007-A1011 WeakPolarHBondContact O-CA 3.37Å; N1007-A1011 WeakPolarHBondContact O-CB 3.34Å; N1007-A1011 PolarHBondContact O-N 2.97Å; A1011-S1015 WeakPolarHBondContact O-CB 3.26Å |
| 1012 | K | 57.2 | Low | 60.6 | Low | 137 Ų | 137 | 86.6 Ų | 86.6 | 60% | 0.596 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -130.5 | 13.6 | 154.1 | -70.5 | -179.9 | -175.4 | -177.6 | 0 | 112.6 | K1008 L1009 K1010 T1016 | K1008-K1012 WeakPolarHBondContact O-CB 3.14Å; K1008-K1012 WeakPolarHBondContact O-CD 3.49Å; K1008-K1012 WeakPolarHBondContact O-CG 3.36Å; L1009-K1012 CarbonylContact O-C 3.45Å; L1009-K1012 VanDerWaalsContact O-CA 3.32Å; L1009-K1012 WeakPolarHBondContact O-CA 2.91Å; L1009-K1012 PolarHBondContact O-N 3.15Å; L1009-K1012 VanDerWaalsContact O-N 3.16Å; K1010-K1012 VanDerWaalsContact C-N 3.27Å; K1012-T1016 VanDerWaalsContact O-CB 3.23Å; K1012-T1016 WeakPolarHBondContact O-CB 3.39Å; K1012-T1016 WeakPolarHBondContact O-CG2 3.26Å; K1012-T1016 PolarHBondContact O-N 3.09Å; K1012-T1016 PolarHBondContact O-OG1 3.28Å |
| 1013 | L | 57.5 | Low | 60.8 | Low | 84 Ų | 84 | 83.6 Ų | 83.6 | 44% | 0.44 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -146.7 | 1.9 | 178.1 | -69.8 | 162 | 0 | 0 | 0 | 109.5 | L1009 T1016 L1017 | L1009-L1013 HydrophobicContact CB-CD1 4.2Å; L1009-L1013 HydrophobicContact CD2-CD1 4.08Å; L1009-L1013 HydrophobicContact CG-CD1 4.09Å; L1009-L1013 VanDerWaalsContact O-CA 3.27Å; L1009-L1013 WeakPolarHBondContact O-CA 3.42Å; L1009-L1013 WeakPolarHBondContact O-CB 3.33Å; L1009-L1013 WeakPolarHBondContact O-CD1 3.31Å; L1009-L1013 WeakPolarHBondContact O-CG 3.44Å; L1009-L1013 PolarHBondContact O-N 3.38Å; L1013-T1016 VanDerWaalsContact CA-C 3.48Å; L1013-T1016 WeakPolarHBondContact CA-OG1 3.36Å; L1013-T1016 VanDerWaalsContact N-N 3.18Å; L1013-T1016 CarbonylContact O-C 3.6Å; L1013-L1017 WeakPolarHBondContact O-CA 3.18Å; L1013-L1017 WeakPolarHBondContact O-CB 3.37Å; L1013-L1017 WeakPolarHBondContact O-CD1 3.33Å; L1013-L1017 PolarHBondContact O-N 3.26Å |
| 1014 | E | 62.9 | Low | 60.8 | Low | 83 Ų | 83 | 85.2 Ų | 85.2 | 39% | 0.388 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -121.1 | -8.9 | 143.1 | -56.3 | 164.3 | 156.6 | 0 | 0 | 110.9 | K1010 L1017 D1018 | K1010-E1014 VanDerWaalsContact CE-CD 3.42Å; K1010-E1014 WeakPolarHBondContact CE-OE1 3.2Å; K1010-E1014 HydrophobicContact CG-CB 4.46Å; K1010-E1014 HydrophobicContact CG-CG 3.65Å; K1010-E1014 WeakPolarHBondContact CG-OE2 3.3Å; K1010-E1014 IonicContact NZ-OE1 3.79Å; K1010-E1014 PolarHBondContact NZ-OE1 3.25Å; K1010-E1014 IonicContact NZ-OE2 3.95Å; K1010-E1014 PolarHBondContact NZ-OE2 3.18Å; K1010-E1014 WeakPolarHBondContact O-CA 3.48Å; K1010-E1014 WeakPolarHBondContact O-CB 3.4Å; K1010-E1014 WeakPolarHBondContact O-CG 3.36Å; K1010-E1014 PolarHBondContact O-N 2.84Å; E1014-L1017 HydrophobicContact CB-CB 4.15Å; E1014-L1017 HydrophobicContact CG-CB 4.03Å; E1014-D1018 WeakPolarHBondContact O-CA 3.4Å; E1014-D1018 WeakPolarHBondContact O-CB 3.27Å; E1014-D1018 PolarHBondContact O-N 2.77Å |
| 1015 | S | 63 | Low | 60.8 | Low | 51 Ų | 51 | 85 Ų | 85 | 36% | 0.357 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -9.7 | 143.4 | -167.1 | 0 | 0 | 0 | 0 | 111.4 | A1011 E1019 | A1011-S1015 WeakPolarHBondContact O-CB 3.26Å; S1015-E1019 WeakPolarHBondContact O-CA 3.32Å; S1015-E1019 WeakPolarHBondContact O-CB 3.49Å; S1015-E1019 WeakPolarHBondContact O-CG 3.3Å; S1015-E1019 PolarHBondContact O-N 3Å |
| 1016 | T | 58.7 | Low | 60.8 | Low | 38 Ų | 38 | 83 Ų | 83 | 23% | 0.233 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 33.8 | 154 | 80 | 0 | 0 | 0 | 0 | 110.7 | K1012 L1013 E1019 M1020 | K1012-T1016 VanDerWaalsContact O-CB 3.23Å; K1012-T1016 WeakPolarHBondContact O-CB 3.39Å; K1012-T1016 WeakPolarHBondContact O-CG2 3.26Å; K1012-T1016 PolarHBondContact O-N 3.09Å; K1012-T1016 PolarHBondContact O-OG1 3.28Å; L1013-T1016 VanDerWaalsContact CA-C 3.48Å; L1013-T1016 WeakPolarHBondContact CA-OG1 3.36Å; L1013-T1016 VanDerWaalsContact N-N 3.18Å; L1013-T1016 CarbonylContact O-C 3.6Å; T1016-E1019 HydrophobicContact CG2-CB 4.11Å; T1016-M1020 WeakPolarHBondContact O-CB 3.21Å; T1016-M1020 WeakPolarHBondContact O-CG 3.43Å |
| 1017 | L | 62.4 | Low | 60.7 | Low | 77 Ų | 77 | 82.9 Ų | 82.9 | 40% | 0.403 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -38.3 | 139 | -122.5 | 69.5 | 0 | 0 | 0 | 106.6 | L1013 E1014 M1020 E1021 | L1013-L1017 WeakPolarHBondContact O-CA 3.18Å; L1013-L1017 WeakPolarHBondContact O-CB 3.37Å; L1013-L1017 WeakPolarHBondContact O-CD1 3.33Å; L1013-L1017 PolarHBondContact O-N 3.26Å; E1014-L1017 HydrophobicContact CB-CB 4.15Å; E1014-L1017 HydrophobicContact CG-CB 4.03Å; L1017-M1020 VanDerWaalsContact C-N 3.33Å; L1017-M1020 CarbonylContact O-C 3.58Å; L1017-M1020 VanDerWaalsContact O-CA 3.31Å; L1017-M1020 WeakPolarHBondContact O-CA 3.14Å; L1017-M1020 PolarHBondContact O-N 3.34Å; L1017-E1021 HydrophobicContact CG-CG 4.27Å; L1017-E1021 VanDerWaalsContact O-CA 3.23Å; L1017-E1021 WeakPolarHBondContact O-CA 3.45Å; L1017-E1021 WeakPolarHBondContact O-CB 3.19Å; L1017-E1021 WeakPolarHBondContact O-CG 3.29Å; L1017-E1021 PolarHBondContact O-N 3.23Å |
| 1018 | D | 67.3 | Low | 60.4 | Low | 106 Ų | 106 | 86.1 Ų | 86.1 | 57% | 0.567 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -73.6 | -33.3 | 168.4 | -61.9 | -13.5 | 0 | 0 | 0 | 111.5 | E1014 M1020 E1022 N1023 | E1014-D1018 WeakPolarHBondContact O-CA 3.4Å; E1014-D1018 WeakPolarHBondContact O-CB 3.27Å; E1014-D1018 PolarHBondContact O-N 2.77Å; D1018-M1020 PolarHBondContact O-N 2.89Å; D1018-E1022 CarbonylContact O-C 3.58Å; D1018-E1022 WeakPolarHBondContact O-CA 3.24Å; D1018-E1022 WeakPolarHBondContact O-CB 3.31Å; D1018-E1022 PolarHBondContact O-N 2.9Å; D1018-N1023 PolarHBondContact O-N 2.7Å |
| 1019 | E | 61.3 | Low | 60.5 | Low | 86 Ų | 86 | 86.3 Ų | 86.3 | 40% | 0.402 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -86.8 | 24.4 | 157.2 | -54.3 | 179.1 | 112.7 | 0 | 0 | 113.2 | S1015 T1016 N1023 | S1015-E1019 WeakPolarHBondContact O-CA 3.32Å; S1015-E1019 WeakPolarHBondContact O-CB 3.49Å; S1015-E1019 WeakPolarHBondContact O-CG 3.3Å; S1015-E1019 PolarHBondContact O-N 3Å; T1016-E1019 HydrophobicContact CG2-CB 4.11Å; E1019-N1023 WeakPolarHBondContact O-CB 3.39Å; E1019-N1023 PolarHBondContact O-ND2 3.16Å |
| 1020 | M | 57 | Low | 60.5 | Low | 110 Ų | 110 | 87 Ų | 87 | 54% | 0.542 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -131 | 7.5 | 157.6 | -66.4 | -75.9 | -164.9 | 0 | 0 | 113.6 | T1016 L1017 D1018 N1023 L1024 | T1016-M1020 WeakPolarHBondContact O-CB 3.21Å; T1016-M1020 WeakPolarHBondContact O-CG 3.43Å; L1017-M1020 VanDerWaalsContact C-N 3.33Å; L1017-M1020 CarbonylContact O-C 3.58Å; L1017-M1020 VanDerWaalsContact O-CA 3.31Å; L1017-M1020 WeakPolarHBondContact O-CA 3.14Å; L1017-M1020 PolarHBondContact O-N 3.34Å; D1018-M1020 PolarHBondContact O-N 2.89Å; M1020-N1023 CarbonylContact O-C 3.56Å; M1020-L1024 WeakPolarHBondContact O-CA 3.37Å; M1020-L1024 WeakPolarHBondContact O-CB 3.37Å; M1020-L1024 PolarHBondContact O-N 2.88Å |
| 1021 | E | 62.3 | Low | 60.2 | Low | 111 Ų | 111 | 89.7 Ų | 89.7 | 52% | 0.519 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -135.8 | -29.9 | -178.8 | -74.8 | -158.7 | -166.6 | 0 | 0 | 110.3 | L1017 N1023 L1024 A1025 | L1017-E1021 HydrophobicContact CG-CG 4.27Å; L1017-E1021 VanDerWaalsContact O-CA 3.23Å; L1017-E1021 WeakPolarHBondContact O-CA 3.45Å; L1017-E1021 WeakPolarHBondContact O-CB 3.19Å; L1017-E1021 WeakPolarHBondContact O-CG 3.29Å; L1017-E1021 PolarHBondContact O-N 3.23Å; E1021-N1023 VanDerWaalsContact N-N 3.15Å; E1021-L1024 VanDerWaalsContact C-N 3.32Å; E1021-L1024 HydrophobicContact CB-CB 4.44Å; E1021-L1024 HydrophobicContact CG-CB 4.44Å; E1021-L1024 VanDerWaalsContact N-N 3.11Å; E1021-L1024 CarbonylContact O-C 3.58Å; E1021-L1024 PolarHBondContact O-N 3.42Å; E1021-A1025 WeakPolarHBondContact O-CA 3.4Å; E1021-A1025 WeakPolarHBondContact O-CB 3Å; E1021-A1025 PolarHBondContact O-N 2.7Å |
| 1022 | E | 61.3 | Low | 60.4 | Low | 115 Ų | 115 | 88.3 Ų | 88.3 | 54% | 0.537 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -82.4 | -12.5 | 139.8 | -143 | -158 | -143.2 | 0 | 0 | 111.8 | D1018 R1026 | D1018-E1022 CarbonylContact O-C 3.58Å; D1018-E1022 WeakPolarHBondContact O-CA 3.24Å; D1018-E1022 WeakPolarHBondContact O-CB 3.31Å; D1018-E1022 PolarHBondContact O-N 2.9Å; E1022-R1026 VanDerWaalsContact O-CA 3.31Å; E1022-R1026 WeakPolarHBondContact O-CA 3.31Å; E1022-R1026 WeakPolarHBondContact O-CB 3.31Å; E1022-R1026 WeakPolarHBondContact O-CD 3.35Å; E1022-R1026 WeakPolarHBondContact O-CG 3.36Å; E1022-R1026 PolarHBondContact O-N 2.98Å; E1022-R1026 PolarHBondContact O-NE 3.18Å; E1022-R1026 IonicContact OE2-CZ 3.29Å; E1022-R1026 VanDerWaalsContact OE2-CZ 3.27Å; E1022-R1026 IonicContact OE2-NE 3.38Å; E1022-R1026 PolarHBondContact OE2-NE 2.66Å; E1022-R1026 VanDerWaalsContact OE2-NE 3.1Å; E1022-R1026 IonicContact OE2-NH2 2.63Å; E1022-R1026 PolarHBondContact OE2-NH2 3.21Å |
| 1023 | N | 60.5 | Low | 60.6 | Low | 55 Ų | 55 | 84.3 Ų | 84.3 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -95.8 | 11.9 | 147.5 | -61.9 | -52 | 0 | 0 | 0 | 115.1 | D1018 E1019 M1020 E1021 R1026 E1027 | D1018-N1023 PolarHBondContact O-N 2.7Å; E1019-N1023 WeakPolarHBondContact O-CB 3.39Å; E1019-N1023 PolarHBondContact O-ND2 3.16Å; M1020-N1023 CarbonylContact O-C 3.56Å; E1021-N1023 VanDerWaalsContact N-N 3.15Å; N1023-R1026 HydrophobicContact CB-CB 4.43Å; N1023-R1026 VanDerWaalsContact CG-NH1 3.31Å; N1023-R1026 PolarHBondContact ND2-NH1 3.32Å; N1023-R1026 WeakPolarHBondContact OD1-CB 3.33Å; N1023-R1026 VanDerWaalsContact OD1-CD 3.29Å; N1023-R1026 WeakPolarHBondContact OD1-CD 3.26Å; N1023-R1026 PolarHBondContact OD1-NE 2.94Å; N1023-R1026 PolarHBondContact OD1-NH1 3.41Å; N1023-E1027 VanDerWaalsContact C-N 3.27Å; N1023-E1027 WeakPolarHBondContact O-CA 3.2Å; N1023-E1027 WeakPolarHBondContact O-CB 3.23Å; N1023-E1027 PolarHBondContact O-N 3.28Å |
| 1024 | L | 58.6 | Low | 60.6 | Low | 71 Ų | 71 | 83 Ų | 83 | 37% | 0.372 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -103.4 | -23.2 | 156 | -151.8 | 74.3 | 0 | 0 | 0 | 111.1 | M1020 E1021 E1027 Q1028 | M1020-L1024 WeakPolarHBondContact O-CA 3.37Å; M1020-L1024 WeakPolarHBondContact O-CB 3.37Å; M1020-L1024 PolarHBondContact O-N 2.88Å; E1021-L1024 VanDerWaalsContact C-N 3.32Å; E1021-L1024 HydrophobicContact CB-CB 4.44Å; E1021-L1024 HydrophobicContact CG-CB 4.44Å; E1021-L1024 VanDerWaalsContact N-N 3.11Å; E1021-L1024 CarbonylContact O-C 3.58Å; E1021-L1024 PolarHBondContact O-N 3.42Å; L1024-E1027 VanDerWaalsContact C-N 3.34Å; L1024-E1027 HydrophobicContact CD1-CB 4.24Å; L1024-E1027 VanDerWaalsContact CD1-OE2 3.28Å; L1024-E1027 WeakPolarHBondContact CD1-OE2 3.23Å; L1024-E1027 CarbonylContact O-C 3.59Å; L1024-E1027 PolarHBondContact O-N 3.1Å; L1024-Q1028 WeakPolarHBondContact O-CA 3.45Å; L1024-Q1028 WeakPolarHBondContact O-CB 3Å; L1024-Q1028 WeakPolarHBondContact O-CG 3.16Å; L1024-Q1028 PolarHBondContact O-N 2.94Å; L1024-Q1028 PolarHBondContact O-NE2 2.95Å |
| 1025 | A | 61.7 | Low | 60.7 | Low | 52 Ų | 52 | 85.1 Ų | 85.1 | 43% | 0.43 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -84.4 | -31.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109 | E1021 Q1028 K1029 | E1021-A1025 WeakPolarHBondContact O-CA 3.4Å; E1021-A1025 WeakPolarHBondContact O-CB 3Å; E1021-A1025 PolarHBondContact O-N 2.7Å; A1025-Q1028 PolarHBondContact O-N 2.78Å; A1025-K1029 WeakPolarHBondContact O-CB 3.01Å; A1025-K1029 PolarHBondContact O-N 3.28Å |
| 1026 | R | 61.3 | Low | 61 | Low | 82 Ų | 82 | 89.5 Ų | 89.5 | 31% | 0.309 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -73.5 | -26.5 | 154 | -57.4 | 165.9 | -107.7 | 151.1 | -14.6 | 112.2 | E1022 N1023 Q1028 I1030 | E1022-R1026 VanDerWaalsContact O-CA 3.31Å; E1022-R1026 WeakPolarHBondContact O-CA 3.31Å; E1022-R1026 WeakPolarHBondContact O-CB 3.31Å; E1022-R1026 WeakPolarHBondContact O-CD 3.35Å; E1022-R1026 WeakPolarHBondContact O-CG 3.36Å; E1022-R1026 PolarHBondContact O-N 2.98Å; E1022-R1026 PolarHBondContact O-NE 3.18Å; E1022-R1026 IonicContact OE2-CZ 3.29Å; E1022-R1026 VanDerWaalsContact OE2-CZ 3.27Å; E1022-R1026 IonicContact OE2-NE 3.38Å; E1022-R1026 PolarHBondContact OE2-NE 2.66Å; E1022-R1026 VanDerWaalsContact OE2-NE 3.1Å; E1022-R1026 IonicContact OE2-NH2 2.63Å; E1022-R1026 PolarHBondContact OE2-NH2 3.21Å; N1023-R1026 HydrophobicContact CB-CB 4.43Å; N1023-R1026 VanDerWaalsContact CG-NH1 3.31Å; N1023-R1026 PolarHBondContact ND2-NH1 3.32Å; N1023-R1026 WeakPolarHBondContact OD1-CB 3.33Å; N1023-R1026 VanDerWaalsContact OD1-CD 3.29Å; N1023-R1026 WeakPolarHBondContact OD1-CD 3.26Å; N1023-R1026 PolarHBondContact OD1-NE 2.94Å; N1023-R1026 PolarHBondContact OD1-NH1 3.41Å; R1026-Q1028 VanDerWaalsContact C-N 3.29Å; R1026-Q1028 PolarHBondContact O-N 3.35Å; R1026-I1030 HydrophobicContact CB-CD1 3.94Å; R1026-I1030 HydrophobicContact CB-CG1 4.49Å; R1026-I1030 WeakPolarHBondContact O-CA 3.16Å; R1026-I1030 WeakPolarHBondContact O-CB 2.95Å; R1026-I1030 WeakPolarHBondContact O-CD1 3.45Å; R1026-I1030 WeakPolarHBondContact O-CG1 3.01Å; R1026-I1030 PolarHBondContact O-N 2.91Å |
| 1027 | E | 55 | Low | 61.1 | Low | 71 Ų | 71 | 89.6 Ų | 89.6 | 33% | 0.332 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -85.4 | 11.1 | 162.7 | -160.8 | -114 | 179.7 | 0 | 0 | 113.5 | N1023 L1024 R1031 | N1023-E1027 VanDerWaalsContact C-N 3.27Å; N1023-E1027 WeakPolarHBondContact O-CA 3.2Å; N1023-E1027 WeakPolarHBondContact O-CB 3.23Å; N1023-E1027 PolarHBondContact O-N 3.28Å; L1024-E1027 VanDerWaalsContact C-N 3.34Å; L1024-E1027 HydrophobicContact CD1-CB 4.24Å; L1024-E1027 VanDerWaalsContact CD1-OE2 3.28Å; L1024-E1027 WeakPolarHBondContact CD1-OE2 3.23Å; L1024-E1027 CarbonylContact O-C 3.59Å; L1024-E1027 PolarHBondContact O-N 3.1Å; E1027-R1031 HydrophobicContact CG-CG 4.1Å; E1027-R1031 WeakPolarHBondContact O-CA 3.36Å; E1027-R1031 WeakPolarHBondContact O-CB 3.42Å; E1027-R1031 WeakPolarHBondContact O-CD 3.33Å; E1027-R1031 WeakPolarHBondContact O-CG 3.33Å; E1027-R1031 PolarHBondContact O-N 3.09Å; E1027-R1031 WeakPolarHBondContact OE1-CG 3.02Å; E1027-R1031 IonicContact OE1-CZ 3.2Å; E1027-R1031 IonicContact OE1-NE 2.91Å; E1027-R1031 PolarHBondContact OE1-NE 3.49Å; E1027-R1031 IonicContact OE1-NH2 2.76Å; E1027-R1031 IonicContact OE2-CZ 2.76Å; E1027-R1031 IonicContact OE2-NE 2.61Å; E1027-R1031 PolarHBondContact OE2-NE 2.96Å; E1027-R1031 VanDerWaalsContact OE2-NE 3.13Å; E1027-R1031 IonicContact OE2-NH2 3.97Å |
| 1028 | Q | 57 | Low | 61.3 | Low | 123 Ų | 123 | 90.9 Ų | 90.9 | 58% | 0.575 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -115.4 | -27 | 168.2 | -78.7 | 169.2 | 44.9 | 0 | 0 | 110.8 | L1024 A1025 R1026 G1032 | L1024-Q1028 WeakPolarHBondContact O-CA 3.45Å; L1024-Q1028 WeakPolarHBondContact O-CB 3Å; L1024-Q1028 WeakPolarHBondContact O-CG 3.16Å; L1024-Q1028 PolarHBondContact O-N 2.94Å; L1024-Q1028 PolarHBondContact O-NE2 2.95Å; A1025-Q1028 PolarHBondContact O-N 2.78Å; R1026-Q1028 VanDerWaalsContact C-N 3.29Å; R1026-Q1028 PolarHBondContact O-N 3.35Å; Q1028-G1032 PolarHBondContact O-N 3.22Å |
| 1029 | K | 62.2 | Low | 61.4 | Low | 150 Ų | 150 | 95.2 Ų | 95.2 | 65% | 0.652 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -80.5 | -28.4 | 160.7 | -164 | 173.6 | -178.9 | -178.8 | 0 | 112 | A1025 G1032 D1033 | A1025-K1029 WeakPolarHBondContact O-CB 3.01Å; A1025-K1029 PolarHBondContact O-N 3.28Å; K1029-G1032 CarbonylContact O-C 3.59Å; K1029-D1033 WeakPolarHBondContact O-CA 2.84Å; K1029-D1033 WeakPolarHBondContact O-CB 3.25Å; K1029-D1033 PolarHBondContact O-N 2.83Å; K1029-D1033 VanDerWaalsContact O-OD2 3.13Å |
| 1030 | I | 57.5 | Low | 61.7 | Low | 81 Ų | 81 | 97.1 Ų | 97.1 | 42% | 0.415 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -107.4 | 23 | 166.1 | -40.4 | 159.4 | 0 | 0 | 0 | 109.7 | R1026 V1034 | R1026-I1030 HydrophobicContact CB-CD1 3.94Å; R1026-I1030 HydrophobicContact CB-CG1 4.49Å; R1026-I1030 WeakPolarHBondContact O-CA 3.16Å; R1026-I1030 WeakPolarHBondContact O-CB 2.95Å; R1026-I1030 WeakPolarHBondContact O-CD1 3.45Å; R1026-I1030 WeakPolarHBondContact O-CG1 3.01Å; R1026-I1030 PolarHBondContact O-N 2.91Å; I1030-V1034 VanDerWaalsContact C-N 3.28Å; I1030-V1034 HydrophobicContact CG2-CG2 3.56Å; I1030-V1034 WeakPolarHBondContact O-CB 3.36Å; I1030-V1034 WeakPolarHBondContact O-CG2 3.36Å; I1030-V1034 PolarHBondContact O-N 2.86Å; I1030-V1034 VanDerWaalsContact O-N 3.15Å |
| 1031 | R | 57.6 | Low | 61.9 | Low | 142 Ų | 142 | 97 Ų | 97 | 54% | 0.536 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -105.1 | -26 | 135.5 | -87.2 | 169.2 | 175.5 | -162.6 | 7.3 | 111.3 | E1027 D1033 V1034 E1035 | E1027-R1031 HydrophobicContact CG-CG 4.1Å; E1027-R1031 WeakPolarHBondContact O-CA 3.36Å; E1027-R1031 WeakPolarHBondContact O-CB 3.42Å; E1027-R1031 WeakPolarHBondContact O-CD 3.33Å; E1027-R1031 WeakPolarHBondContact O-CG 3.33Å; E1027-R1031 PolarHBondContact O-N 3.09Å; E1027-R1031 WeakPolarHBondContact OE1-CG 3.02Å; E1027-R1031 IonicContact OE1-CZ 3.2Å; E1027-R1031 IonicContact OE1-NE 2.91Å; E1027-R1031 PolarHBondContact OE1-NE 3.49Å; E1027-R1031 IonicContact OE1-NH2 2.76Å; E1027-R1031 IonicContact OE2-CZ 2.76Å; E1027-R1031 IonicContact OE2-NE 2.61Å; E1027-R1031 PolarHBondContact OE2-NE 2.96Å; E1027-R1031 VanDerWaalsContact OE2-NE 3.13Å; E1027-R1031 IonicContact OE2-NH2 3.97Å; R1031-D1033 PolarHBondContact O-N 2.81Å; R1031-V1034 CarbonylContact O-C 3.4Å; R1031-V1034 PolarHBondContact O-N 3.31Å; R1031-E1035 WeakPolarHBondContact O-CA 3.12Å; R1031-E1035 WeakPolarHBondContact O-CB 3.01Å; R1031-E1035 WeakPolarHBondContact O-CG 3.42Å; R1031-E1035 PolarHBondContact O-N 3.31Å |
| 1032 | G | 67.1 | Low | 62.3 | Low | 30 Ų | 30 | 95.8 Ų | 95.8 | 31% | 0.309 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.9 | -35.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q1028 K1029 K1036 | Q1028-G1032 PolarHBondContact O-N 3.22Å; K1029-G1032 CarbonylContact O-C 3.59Å; G1032-K1036 WeakPolarHBondContact O-CB 3.28Å; G1032-K1036 WeakPolarHBondContact O-CD 3.34Å; G1032-K1036 WeakPolarHBondContact O-CG 2.95Å; G1032-K1036 PolarHBondContact O-N 3.08Å |
| 1033 | D | 59.7 | Low | 62.8 | Low | 52 Ų | 52 | 92.1 Ų | 92.1 | 28% | 0.278 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 6 | 175.8 | -55.2 | -31.5 | 0 | 0 | 0 | 112 | K1029 R1031 K1036 S1037 | K1029-D1033 WeakPolarHBondContact O-CA 2.84Å; K1029-D1033 WeakPolarHBondContact O-CB 3.25Å; K1029-D1033 PolarHBondContact O-N 2.83Å; K1029-D1033 VanDerWaalsContact O-OD2 3.13Å; R1031-D1033 PolarHBondContact O-N 2.81Å; D1033-K1036 WeakPolarHBondContact OD1-CD 3.42Å; D1033-K1036 IonicContact OD1-NZ 3.31Å; D1033-K1036 PolarHBondContact OD1-NZ 3.34Å; D1033-S1037 VanDerWaalsContact O-CA 3.25Å; D1033-S1037 WeakPolarHBondContact O-CA 3.03Å; D1033-S1037 WeakPolarHBondContact O-CB 3.06Å; D1033-S1037 PolarHBondContact O-N 3.28Å; D1033-S1037 PolarHBondContact O-OG 3.03Å |
| 1034 | V | 57.9 | Low | 63 | Low | 57 Ų | 57 | 92.7 Ų | 92.7 | 35% | 0.345 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 30.7 | 146.9 | 179.9 | 0 | 0 | 0 | 0 | 110 | I1030 R1031 K1038 | I1030-V1034 VanDerWaalsContact C-N 3.28Å; I1030-V1034 HydrophobicContact CG2-CG2 3.56Å; I1030-V1034 WeakPolarHBondContact O-CB 3.36Å; I1030-V1034 WeakPolarHBondContact O-CG2 3.36Å; I1030-V1034 PolarHBondContact O-N 2.86Å; I1030-V1034 VanDerWaalsContact O-N 3.15Å; R1031-V1034 CarbonylContact O-C 3.4Å; R1031-V1034 PolarHBondContact O-N 3.31Å; V1034-K1038 HydrophobicContact CG1-CB 4.27Å; V1034-K1038 WeakPolarHBondContact O-CB 3.41Å; V1034-K1038 PolarHBondContact O-N 2.79Å |
| 1035 | E | 65.1 | Low | 63.5 | Low | 128 Ų | 128 | 93.3 Ų | 93.3 | 60% | 0.598 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.3 | -34.8 | 158.1 | -82.1 | -158.1 | 142.4 | 0 | 0 | 108.8 | R1031 R1039 | R1031-E1035 WeakPolarHBondContact O-CA 3.12Å; R1031-E1035 WeakPolarHBondContact O-CB 3.01Å; R1031-E1035 WeakPolarHBondContact O-CG 3.42Å; R1031-E1035 PolarHBondContact O-N 3.31Å; E1035-R1039 VanDerWaalsContact O-CB 3.23Å; E1035-R1039 WeakPolarHBondContact O-CB 3.47Å; E1035-R1039 WeakPolarHBondContact O-CG 3.06Å; E1035-R1039 PolarHBondContact O-N 3.12Å |
| 1036 | K | 69.6 | Low | 64.1 | Low | 142 Ų | 142 | 96.6 Ų | 96.6 | 62% | 0.617 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -71.1 | -37.7 | 153.4 | -66.8 | 154.9 | -178.9 | 170.1 | 0 | 111.6 | G1032 D1033 R1039 K1040 | G1032-K1036 WeakPolarHBondContact O-CB 3.28Å; G1032-K1036 WeakPolarHBondContact O-CD 3.34Å; G1032-K1036 WeakPolarHBondContact O-CG 2.95Å; G1032-K1036 PolarHBondContact O-N 3.08Å; D1033-K1036 WeakPolarHBondContact OD1-CD 3.42Å; D1033-K1036 IonicContact OD1-NZ 3.31Å; D1033-K1036 PolarHBondContact OD1-NZ 3.34Å; K1036-R1039 CarbonylContact O-C 3.48Å; K1036-R1039 PolarHBondContact O-N 2.99Å; K1036-K1040 WeakPolarHBondContact O-CA 3.12Å; K1036-K1040 VanDerWaalsContact O-CB 3.23Å; K1036-K1040 WeakPolarHBondContact O-CB 3.39Å; K1036-K1040 PolarHBondContact O-N 3.35Å |
| 1037 | S | 61.7 | Low | 64.6 | Low | 41 Ų | 41 | 94.6 Ų | 94.6 | 29% | 0.287 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -96.3 | 14.7 | 165.6 | -33.2 | 0 | 0 | 0 | 0 | 114.7 | D1033 L1041 | D1033-S1037 VanDerWaalsContact O-CA 3.25Å; D1033-S1037 WeakPolarHBondContact O-CA 3.03Å; D1033-S1037 WeakPolarHBondContact O-CB 3.06Å; D1033-S1037 PolarHBondContact O-N 3.28Å; D1033-S1037 PolarHBondContact O-OG 3.03Å; S1037-L1041 WeakPolarHBondContact O-CA 3.05Å; S1037-L1041 WeakPolarHBondContact O-CB 2.84Å; S1037-L1041 WeakPolarHBondContact O-CD1 3.17Å; S1037-L1041 WeakPolarHBondContact O-CG 3.41Å; S1037-L1041 PolarHBondContact O-N 3.15Å |
| 1038 | K | 66.6 | Low | 65.1 | Low | 104 Ų | 104 | 94.4 Ų | 94.4 | 45% | 0.452 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -95.5 | -21.4 | 145 | 178.6 | 175.1 | 177.3 | -79.7 | 0 | 111.9 | V1034 L1041 E1042 | V1034-K1038 HydrophobicContact CG1-CB 4.27Å; V1034-K1038 WeakPolarHBondContact O-CB 3.41Å; V1034-K1038 PolarHBondContact O-N 2.79Å; K1038-L1041 CarbonylContact O-C 3.59Å; K1038-E1042 WeakPolarHBondContact CE-OE1 3.45Å; K1038-E1042 HydrophobicContact CG-CG 4.12Å; K1038-E1042 IonicContact NZ-OE1 2.83Å; K1038-E1042 PolarHBondContact NZ-OE1 2.62Å; K1038-E1042 VanDerWaalsContact O-CA 3.31Å; K1038-E1042 WeakPolarHBondContact O-CA 2.98Å; K1038-E1042 WeakPolarHBondContact O-CB 3.22Å; K1038-E1042 VanDerWaalsContact O-CD 3.26Å; K1038-E1042 WeakPolarHBondContact O-CG 3.1Å; K1038-E1042 PolarHBondContact O-N 3.03Å |
| 1039 | R | 69.1 | Low | 65.9 | Low | 197 Ų | 197 | 93.4 Ų | 93.4 | 74% | 0.743 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -78.6 | -25.8 | 161.8 | -73.8 | 173.1 | -175.2 | -177.6 | 4.5 | 112.4 | E1035 K1036 G1043 | E1035-R1039 VanDerWaalsContact O-CB 3.23Å; E1035-R1039 WeakPolarHBondContact O-CB 3.47Å; E1035-R1039 WeakPolarHBondContact O-CG 3.06Å; E1035-R1039 PolarHBondContact O-N 3.12Å; K1036-R1039 CarbonylContact O-C 3.48Å; K1036-R1039 PolarHBondContact O-N 2.99Å; R1039-G1043 WeakPolarHBondContact O-CA 3.18Å; R1039-G1043 PolarHBondContact O-N 2.69Å |
| 1040 | K | 65.9 | Low | 66.4 | Low | 126 Ų | 126 | 91.1 Ų | 91.1 | 55% | 0.548 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -80.1 | -45.7 | 165.8 | -140.7 | -173.8 | 176.6 | -169.8 | 0 | 109.4 | K1036 E1042 G1043 D1044 | K1036-K1040 WeakPolarHBondContact O-CA 3.12Å; K1036-K1040 VanDerWaalsContact O-CB 3.23Å; K1036-K1040 WeakPolarHBondContact O-CB 3.39Å; K1036-K1040 PolarHBondContact O-N 3.35Å; K1040-E1042 VanDerWaalsContact C-N 3.25Å; K1040-E1042 PolarHBondContact O-N 2.85Å; K1040-G1043 CarbonylContact O-C 3.44Å; K1040-G1043 PolarHBondContact O-N 3.3Å; K1040-D1044 VanDerWaalsContact O-CA 3.28Å; K1040-D1044 WeakPolarHBondContact O-CA 3.03Å; K1040-D1044 WeakPolarHBondContact O-CB 3.13Å; K1040-D1044 PolarHBondContact O-N 3.19Å; K1040-D1044 VanDerWaalsContact O-OD2 3.1Å |
| 1041 | L | 61.8 | Low | 67 | Low | 106 Ų | 106 | 90.4 Ų | 90.4 | 56% | 0.555 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -70.3 | -10.4 | 167.6 | -70.4 | 168 | 0 | 0 | 0 | 114.7 | S1037 K1038 L1045 | S1037-L1041 WeakPolarHBondContact O-CA 3.05Å; S1037-L1041 WeakPolarHBondContact O-CB 2.84Å; S1037-L1041 WeakPolarHBondContact O-CD1 3.17Å; S1037-L1041 WeakPolarHBondContact O-CG 3.41Å; S1037-L1041 PolarHBondContact O-N 3.15Å; K1038-L1041 CarbonylContact O-C 3.59Å; L1041-L1045 WeakPolarHBondContact O-CA 3.47Å; L1041-L1045 WeakPolarHBondContact O-CB 3.39Å; L1041-L1045 PolarHBondContact O-N 3.04Å |
| 1042 | E | 70.9 | Confident | 67.7 | Low | 86 Ų | 86 | 87.3 Ų | 87.3 | 40% | 0.402 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -92.1 | -30.3 | 168.1 | -79.2 | 161.1 | 176.2 | 0 | 0 | 110.8 | K1038 K1040 K1046 | K1038-E1042 WeakPolarHBondContact CE-OE1 3.45Å; K1038-E1042 HydrophobicContact CG-CG 4.12Å; K1038-E1042 IonicContact NZ-OE1 2.83Å; K1038-E1042 PolarHBondContact NZ-OE1 2.62Å; K1038-E1042 VanDerWaalsContact O-CA 3.31Å; K1038-E1042 WeakPolarHBondContact O-CA 2.98Å; K1038-E1042 WeakPolarHBondContact O-CB 3.22Å; K1038-E1042 VanDerWaalsContact O-CD 3.26Å; K1038-E1042 WeakPolarHBondContact O-CG 3.1Å; K1038-E1042 PolarHBondContact O-N 3.03Å; K1040-E1042 VanDerWaalsContact C-N 3.25Å; K1040-E1042 PolarHBondContact O-N 2.85Å; E1042-K1046 VanDerWaalsContact O-CB 3.31Å; E1042-K1046 WeakPolarHBondContact O-CB 3.48Å; E1042-K1046 PolarHBondContact O-N 3.32Å |
| 1043 | G | 71.3 | Confident | 68.2 | Low | 38 Ų | 38 | 90.6 Ų | 90.6 | 39% | 0.392 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -77.3 | -29.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1039 K1040 K1046 A1047 | R1039-G1043 WeakPolarHBondContact O-CA 3.18Å; R1039-G1043 PolarHBondContact O-N 2.69Å; K1040-G1043 CarbonylContact O-C 3.44Å; K1040-G1043 PolarHBondContact O-N 3.3Å; G1043-K1046 CarbonylContact O-C 3.58Å; G1043-K1046 WeakPolarHBondContact O-CB 3.44Å; G1043-A1047 WeakPolarHBondContact O-CB 3.04Å; G1043-A1047 PolarHBondContact O-N 3.07Å |
| 1044 | D | 65.8 | Low | 68.8 | Low | 67 Ų | 67 | 91.8 Ų | 91.8 | 36% | 0.358 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -91.2 | -24.1 | 172.4 | -56.5 | -28.5 | 0 | 0 | 0 | 109.3 | K1040 K1046 A1047 T1048 | K1040-D1044 VanDerWaalsContact O-CA 3.28Å; K1040-D1044 WeakPolarHBondContact O-CA 3.03Å; K1040-D1044 WeakPolarHBondContact O-CB 3.13Å; K1040-D1044 PolarHBondContact O-N 3.19Å; K1040-D1044 VanDerWaalsContact O-OD2 3.1Å; D1044-K1046 VanDerWaalsContact C-N 3.33Å; D1044-A1047 CarbonylContact O-C 3.5Å; D1044-A1047 PolarHBondContact O-N 3.45Å; D1044-T1048 WeakPolarHBondContact O-CA 3.19Å; D1044-T1048 WeakPolarHBondContact O-CB 3.14Å; D1044-T1048 VanDerWaalsContact O-CG2 3.26Å; D1044-T1048 WeakPolarHBondContact O-CG2 3.43Å; D1044-T1048 PolarHBondContact O-N 2.85Å; D1044-T1048 PolarHBondContact O-OG1 3.48Å |
| 1045 | L | 69.3 | Low | 69.5 | Low | 85 Ų | 85 | 94.2 Ų | 94.2 | 45% | 0.445 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.3 | -32.4 | 158.4 | -179.6 | 67.5 | 0 | 0 | 0 | 109.6 | L1041 T1048 Q1049 | L1041-L1045 WeakPolarHBondContact O-CA 3.47Å; L1041-L1045 WeakPolarHBondContact O-CB 3.39Å; L1041-L1045 PolarHBondContact O-N 3.04Å; L1045-T1048 WeakPolarHBondContact CA-OG1 3.31Å; L1045-T1048 CarbonylContact O-C 3.56Å; L1045-Q1049 HydrophobicContact CD1-CG 4.22Å; L1045-Q1049 HydrophobicContact CG-CG 4.29Å; L1045-Q1049 WeakPolarHBondContact O-CA 3.11Å; L1045-Q1049 WeakPolarHBondContact O-CB 3.44Å; L1045-Q1049 WeakPolarHBondContact O-CG 3.41Å; L1045-Q1049 PolarHBondContact O-N 2.81Å |
| 1046 | K | 74.8 | Confident | 69.8 | Low | 120 Ų | 120 | 92.1 Ų | 92.1 | 52% | 0.522 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.9 | -40.8 | 166.9 | -117.8 | -178.4 | 160 | -91.4 | 0 | 111.6 | E1042 G1043 D1044 T1048 Q1049 E1050 | E1042-K1046 VanDerWaalsContact O-CB 3.31Å; E1042-K1046 WeakPolarHBondContact O-CB 3.48Å; E1042-K1046 PolarHBondContact O-N 3.32Å; G1043-K1046 CarbonylContact O-C 3.58Å; G1043-K1046 WeakPolarHBondContact O-CB 3.44Å; D1044-K1046 VanDerWaalsContact C-N 3.33Å; K1046-T1048 VanDerWaalsContact C-N 3.29Å; K1046-T1048 PolarHBondContact O-N 3.09Å; K1046-Q1049 CarbonylContact O-C 3.55Å; K1046-Q1049 PolarHBondContact O-N 2.76Å; K1046-E1050 IonicContact NZ-OE1 2.69Å; K1046-E1050 PolarHBondContact NZ-OE1 2.97Å; K1046-E1050 VanDerWaalsContact O-CB 3.23Å; K1046-E1050 WeakPolarHBondContact O-CB 3.41Å; K1046-E1050 VanDerWaalsContact O-CG 3.28Å; K1046-E1050 WeakPolarHBondContact O-CG 3.5Å; K1046-E1050 PolarHBondContact O-N 2.68Å |
| 1047 | A | 70.3 | Confident | 70.1 | Confident | 40 Ų | 40 | 92.9 Ų | 92.9 | 33% | 0.331 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -76.4 | -15.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | G1043 D1044 T1051 | G1043-A1047 WeakPolarHBondContact O-CB 3.04Å; G1043-A1047 PolarHBondContact O-N 3.07Å; D1044-A1047 CarbonylContact O-C 3.5Å; D1044-A1047 PolarHBondContact O-N 3.45Å; A1047-T1051 WeakPolarHBondContact O-CA 3.19Å; A1047-T1051 VanDerWaalsContact O-CB 3.27Å; A1047-T1051 WeakPolarHBondContact O-CB 3.23Å; A1047-T1051 WeakPolarHBondContact O-CG2 3.13Å; A1047-T1051 PolarHBondContact O-N 3.44Å; A1047-T1051 PolarHBondContact O-OG1 3.12Å |
| 1048 | T | 66 | Low | 70.5 | Confident | 68 Ų | 68 | 94 Ų | 94 | 42% | 0.417 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -106 | 6.2 | 167.8 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | D1044 L1045 K1046 T1051 V1052 | D1044-T1048 WeakPolarHBondContact O-CA 3.19Å; D1044-T1048 WeakPolarHBondContact O-CB 3.14Å; D1044-T1048 VanDerWaalsContact O-CG2 3.26Å; D1044-T1048 WeakPolarHBondContact O-CG2 3.43Å; D1044-T1048 PolarHBondContact O-N 2.85Å; D1044-T1048 PolarHBondContact O-OG1 3.48Å; L1045-T1048 WeakPolarHBondContact CA-OG1 3.31Å; L1045-T1048 CarbonylContact O-C 3.56Å; K1046-T1048 VanDerWaalsContact C-N 3.29Å; K1046-T1048 PolarHBondContact O-N 3.09Å; T1048-T1051 WeakPolarHBondContact CA-OG1 2.93Å; T1048-V1052 WeakPolarHBondContact O-CB 3.27Å; T1048-V1052 WeakPolarHBondContact O-CG2 3.33Å; T1048-V1052 PolarHBondContact O-N 3.13Å |
| 1049 | Q | 73.2 | Confident | 70.9 | Confident | 101 Ų | 101 | 94 Ų | 94 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -98.7 | -27.3 | 155.5 | -78.6 | 169.3 | -18.3 | 0 | 0 | 109.4 | L1045 K1046 D1053 | L1045-Q1049 HydrophobicContact CD1-CG 4.22Å; L1045-Q1049 HydrophobicContact CG-CG 4.29Å; L1045-Q1049 WeakPolarHBondContact O-CA 3.11Å; L1045-Q1049 WeakPolarHBondContact O-CB 3.44Å; L1045-Q1049 WeakPolarHBondContact O-CG 3.41Å; L1045-Q1049 PolarHBondContact O-N 2.81Å; K1046-Q1049 CarbonylContact O-C 3.55Å; K1046-Q1049 PolarHBondContact O-N 2.76Å; Q1049-D1053 WeakPolarHBondContact O-CA 3.26Å; Q1049-D1053 WeakPolarHBondContact O-CB 3.32Å; Q1049-D1053 PolarHBondContact O-N 3.15Å |
| 1050 | E | 74.1 | Confident | 71.2 | Confident | 102 Ų | 102 | 91 Ų | 91 | 48% | 0.477 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -80.1 | -29.3 | 165.5 | -71.2 | 164.3 | -164.8 | 0 | 0 | 110.1 | K1046 D1054 | K1046-E1050 IonicContact NZ-OE1 2.69Å; K1046-E1050 PolarHBondContact NZ-OE1 2.97Å; K1046-E1050 VanDerWaalsContact O-CB 3.23Å; K1046-E1050 WeakPolarHBondContact O-CB 3.41Å; K1046-E1050 VanDerWaalsContact O-CG 3.28Å; K1046-E1050 WeakPolarHBondContact O-CG 3.5Å; K1046-E1050 PolarHBondContact O-N 2.68Å; E1050-D1054 WeakPolarHBondContact O-CA 3.2Å; E1050-D1054 WeakPolarHBondContact O-CB 3.05Å; E1050-D1054 PolarHBondContact O-N 3.42Å |
| 1051 | T | 68.9 | Low | 71.5 | Confident | 67 Ų | 67 | 88.8 Ų | 88.8 | 41% | 0.411 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -96.1 | 6.7 | 162.1 | 59.1 | 0 | 0 | 0 | 0 | 115.1 | A1047 T1048 L1055 | A1047-T1051 WeakPolarHBondContact O-CA 3.19Å; A1047-T1051 VanDerWaalsContact O-CB 3.27Å; A1047-T1051 WeakPolarHBondContact O-CB 3.23Å; A1047-T1051 WeakPolarHBondContact O-CG2 3.13Å; A1047-T1051 PolarHBondContact O-N 3.44Å; A1047-T1051 PolarHBondContact O-OG1 3.12Å; T1048-T1051 WeakPolarHBondContact CA-OG1 2.93Å; T1051-L1055 WeakPolarHBondContact O-CB 3.23Å; T1051-L1055 VanDerWaalsContact O-CD1 3.28Å; T1051-L1055 WeakPolarHBondContact O-CD1 2.98Å; T1051-L1055 WeakPolarHBondContact O-CG 3.44Å; T1051-L1055 PolarHBondContact O-N 2.66Å |
| 1052 | V | 72.3 | Confident | 71.9 | Confident | 76 Ų | 76 | 88.2 Ų | 88.2 | 46% | 0.461 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -96.5 | -28 | 153.7 | 161.9 | 0 | 0 | 0 | 0 | 110.6 | T1048 L1055 E1056 | T1048-V1052 WeakPolarHBondContact O-CB 3.27Å; T1048-V1052 WeakPolarHBondContact O-CG2 3.33Å; T1048-V1052 PolarHBondContact O-N 3.13Å; V1052-L1055 CarbonylContact O-C 3.52Å; V1052-L1055 PolarHBondContact O-N 3Å; V1052-E1056 WeakPolarHBondContact O-CA 2.94Å; V1052-E1056 WeakPolarHBondContact O-CB 3.44Å; V1052-E1056 WeakPolarHBondContact O-CG 3.49Å; V1052-E1056 PolarHBondContact O-N 2.84Å |
| 1053 | D | 77.6 | Confident | 71.9 | Confident | 100 Ų | 100 | 88.4 Ų | 88.4 | 54% | 0.535 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.2 | -42.1 | 165.4 | -77.8 | -17.4 | 0 | 0 | 0 | 109.7 | Q1049 E1056 R1057 | Q1049-D1053 WeakPolarHBondContact O-CA 3.26Å; Q1049-D1053 WeakPolarHBondContact O-CB 3.32Å; Q1049-D1053 PolarHBondContact O-N 3.15Å; D1053-E1056 CarbonylContact O-C 3.53Å; D1053-E1056 PolarHBondContact O-N 3.49Å; D1053-R1057 WeakPolarHBondContact O-CA 3.44Å; D1053-R1057 WeakPolarHBondContact O-CB 3.22Å; D1053-R1057 PolarHBondContact O-N 3.47Å |
| 1054 | D | 73.1 | Confident | 72 | Confident | 76 Ų | 76 | 91.1 Ų | 91.1 | 41% | 0.406 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -77.2 | -20.4 | 170.2 | -81.6 | -26.3 | 0 | 0 | 0 | 113 | E1050 V1058 | E1050-D1054 WeakPolarHBondContact O-CA 3.2Å; E1050-D1054 WeakPolarHBondContact O-CB 3.05Å; E1050-D1054 PolarHBondContact O-N 3.42Å; D1054-V1058 WeakPolarHBondContact O-CA 3.03Å; D1054-V1058 WeakPolarHBondContact O-CB 3.18Å; D1054-V1058 WeakPolarHBondContact O-CG2 2.93Å; D1054-V1058 PolarHBondContact O-N 2.89Å |
| 1055 | L | 71.3 | Confident | 72.2 | Confident | 109 Ų | 109 | 93.5 Ų | 93.5 | 57% | 0.571 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -82.7 | -16.5 | 162.1 | -76.6 | 170.5 | 0 | 0 | 0 | 112.6 | T1051 V1052 K1059 | T1051-L1055 WeakPolarHBondContact O-CB 3.23Å; T1051-L1055 VanDerWaalsContact O-CD1 3.28Å; T1051-L1055 WeakPolarHBondContact O-CD1 2.98Å; T1051-L1055 WeakPolarHBondContact O-CG 3.44Å; T1051-L1055 PolarHBondContact O-N 2.66Å; V1052-L1055 CarbonylContact O-C 3.52Å; V1052-L1055 PolarHBondContact O-N 3Å; L1055-K1059 WeakPolarHBondContact O-CA 3.45Å; L1055-K1059 WeakPolarHBondContact O-CB 3.46Å; L1055-K1059 PolarHBondContact O-N 3.34Å |
| 1056 | E | 72.9 | Confident | 72.2 | Confident | 84 Ų | 84 | 93.9 Ų | 93.9 | 39% | 0.393 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -82.9 | -24.5 | 166 | -89 | -154.3 | -172 | 0 | 0 | 110.9 | V1052 D1053 R1060 | V1052-E1056 WeakPolarHBondContact O-CA 2.94Å; V1052-E1056 WeakPolarHBondContact O-CB 3.44Å; V1052-E1056 WeakPolarHBondContact O-CG 3.49Å; V1052-E1056 PolarHBondContact O-N 2.84Å; D1053-E1056 CarbonylContact O-C 3.53Å; D1053-E1056 PolarHBondContact O-N 3.49Å; E1056-R1060 VanDerWaalsContact O-CB 3.27Å; E1056-R1060 WeakPolarHBondContact O-CB 3.36Å; E1056-R1060 WeakPolarHBondContact O-CG 3.01Å; E1056-R1060 PolarHBondContact O-N 3.11Å; E1056-R1060 PolarHBondContact O-NH1 3.42Å; E1056-R1060 IonicContact OE2-CZ 2.9Å; E1056-R1060 VanDerWaalsContact OE2-CZ 3.29Å; E1056-R1060 IonicContact OE2-NH1 2.68Å; E1056-R1060 PolarHBondContact OE2-NH1 3.24Å; E1056-R1060 IonicContact OE2-NH2 3.54Å; E1056-R1060 PolarHBondContact OE2-NH2 3.11Å |
| 1057 | R | 74.6 | Confident | 72.1 | Confident | 157 Ų | 157 | 97 Ų | 97 | 59% | 0.592 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -86.8 | -39 | 175.5 | -161.7 | 172.4 | -176.3 | -136.9 | -3.4 | 110.4 | D1053 K1059 R1060 D1061 | D1053-R1057 WeakPolarHBondContact O-CA 3.44Å; D1053-R1057 WeakPolarHBondContact O-CB 3.22Å; D1053-R1057 PolarHBondContact O-N 3.47Å; R1057-K1059 VanDerWaalsContact C-N 3.33Å; R1057-R1060 CarbonylContact O-C 3.43Å; R1057-R1060 PolarHBondContact O-N 3.17Å; R1057-D1061 VanDerWaalsContact O-CB 3.24Å; R1057-D1061 WeakPolarHBondContact O-CB 3.01Å; R1057-D1061 PolarHBondContact O-N 3.27Å |
| 1058 | V | 71.8 | Confident | 72.2 | Confident | 66 Ų | 66 | 102.4 Ų | 102.4 | 40% | 0.4 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.3 | -25.7 | 163 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | D1054 D1061 L1062 | D1054-V1058 WeakPolarHBondContact O-CA 3.03Å; D1054-V1058 WeakPolarHBondContact O-CB 3.18Å; D1054-V1058 WeakPolarHBondContact O-CG2 2.93Å; D1054-V1058 PolarHBondContact O-N 2.89Å; V1058-D1061 CarbonylContact O-C 3.52Å; V1058-L1062 HydrophobicContact CG1-CD1 3.72Å; V1058-L1062 HydrophobicContact CG1-CG 4Å; V1058-L1062 WeakPolarHBondContact O-CA 2.89Å; V1058-L1062 WeakPolarHBondContact O-CB 3.17Å; V1058-L1062 WeakPolarHBondContact O-CG 3.17Å; V1058-L1062 PolarHBondContact O-N 2.93Å |
| 1059 | K | 74.5 | Confident | 72.3 | Confident | 104 Ų | 104 | 104.5 Ų | 104.5 | 45% | 0.452 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76.6 | -34.1 | 166.9 | 176.8 | 179.4 | 173.8 | -67.7 | 0 | 111.8 | L1055 R1057 L1062 E1063 | L1055-K1059 WeakPolarHBondContact O-CA 3.45Å; L1055-K1059 WeakPolarHBondContact O-CB 3.46Å; L1055-K1059 PolarHBondContact O-N 3.34Å; R1057-K1059 VanDerWaalsContact C-N 3.33Å; K1059-L1062 CarbonylContact O-C 3.59Å; K1059-L1062 PolarHBondContact O-N 3.47Å; K1059-E1063 WeakPolarHBondContact CE-OE1 3.47Å; K1059-E1063 HydrophobicContact CG-CG 4.1Å; K1059-E1063 IonicContact NZ-OE1 2.69Å; K1059-E1063 PolarHBondContact NZ-OE1 2.88Å; K1059-E1063 IonicContact NZ-OE2 3.15Å; K1059-E1063 PolarHBondContact NZ-OE2 3.31Å; K1059-E1063 WeakPolarHBondContact O-CA 3.19Å; K1059-E1063 WeakPolarHBondContact O-CB 3.28Å; K1059-E1063 WeakPolarHBondContact O-CG 3.32Å; K1059-E1063 PolarHBondContact O-N 2.81Å |
| 1060 | R | 75.5 | Confident | 72.2 | Confident | 134 Ų | 134 | 104.8 Ų | 104.8 | 51% | 0.506 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.2 | -39.6 | 168.9 | -77.9 | 170.8 | -160.1 | 109.6 | -0.5 | 111.2 | E1056 R1057 L1062 E1063 E1064 | E1056-R1060 VanDerWaalsContact O-CB 3.27Å; E1056-R1060 WeakPolarHBondContact O-CB 3.36Å; E1056-R1060 WeakPolarHBondContact O-CG 3.01Å; E1056-R1060 PolarHBondContact O-N 3.11Å; E1056-R1060 PolarHBondContact O-NH1 3.42Å; E1056-R1060 IonicContact OE2-CZ 2.9Å; E1056-R1060 VanDerWaalsContact OE2-CZ 3.29Å; E1056-R1060 IonicContact OE2-NH1 2.68Å; E1056-R1060 PolarHBondContact OE2-NH1 3.24Å; E1056-R1060 IonicContact OE2-NH2 3.54Å; E1056-R1060 PolarHBondContact OE2-NH2 3.11Å; R1057-R1060 CarbonylContact O-C 3.43Å; R1057-R1060 PolarHBondContact O-N 3.17Å; R1060-L1062 VanDerWaalsContact C-N 3.33Å; R1060-E1063 CarbonylContact O-C 3.1Å; R1060-E1063 PolarHBondContact O-N 3.36Å; R1060-E1064 WeakPolarHBondContact O-CA 3.26Å; R1060-E1064 WeakPolarHBondContact O-CB 3.38Å; R1060-E1064 PolarHBondContact O-N 3.44Å |
| 1061 | D | 72.8 | Confident | 72.2 | Confident | 79 Ų | 79 | 103.2 Ų | 103.2 | 42% | 0.422 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74.8 | -22 | 173.9 | -67.5 | -16.4 | 0 | 0 | 0 | 111.7 | R1057 V1058 Q1065 | R1057-D1061 VanDerWaalsContact O-CB 3.24Å; R1057-D1061 WeakPolarHBondContact O-CB 3.01Å; R1057-D1061 PolarHBondContact O-N 3.27Å; V1058-D1061 CarbonylContact O-C 3.52Å; D1061-Q1065 WeakPolarHBondContact O-CA 3.44Å; D1061-Q1065 WeakPolarHBondContact O-CB 3.39Å; D1061-Q1065 WeakPolarHBondContact O-CG 3.48Å; D1061-Q1065 PolarHBondContact O-N 3.23Å |
| 1062 | L | 68.2 | Low | 72.3 | Confident | 94 Ų | 94 | 104.6 Ų | 104.6 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -91.8 | -15.6 | 170.5 | -75 | 173.3 | 0 | 0 | 0 | 113.2 | V1058 K1059 R1060 L1066 | V1058-L1062 HydrophobicContact CG1-CD1 3.72Å; V1058-L1062 HydrophobicContact CG1-CG 4Å; V1058-L1062 WeakPolarHBondContact O-CA 2.89Å; V1058-L1062 WeakPolarHBondContact O-CB 3.17Å; V1058-L1062 WeakPolarHBondContact O-CG 3.17Å; V1058-L1062 PolarHBondContact O-N 2.93Å; K1059-L1062 CarbonylContact O-C 3.59Å; K1059-L1062 PolarHBondContact O-N 3.47Å; R1060-L1062 VanDerWaalsContact C-N 3.33Å; L1062-L1066 WeakPolarHBondContact O-CA 3.23Å; L1062-L1066 WeakPolarHBondContact O-CB 3.3Å; L1062-L1066 PolarHBondContact O-N 2.82Å |
| 1063 | E | 72.7 | Confident | 72.1 | Confident | 89 Ų | 89 | 105.8 Ų | 105.8 | 42% | 0.416 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -90.8 | -22.2 | 166.8 | -76.9 | 174.4 | 145.5 | 0 | 0 | 110.5 | K1059 R1060 R1067 | K1059-E1063 WeakPolarHBondContact CE-OE1 3.47Å; K1059-E1063 HydrophobicContact CG-CG 4.1Å; K1059-E1063 IonicContact NZ-OE1 2.69Å; K1059-E1063 PolarHBondContact NZ-OE1 2.88Å; K1059-E1063 IonicContact NZ-OE2 3.15Å; K1059-E1063 PolarHBondContact NZ-OE2 3.31Å; K1059-E1063 WeakPolarHBondContact O-CA 3.19Å; K1059-E1063 WeakPolarHBondContact O-CB 3.28Å; K1059-E1063 WeakPolarHBondContact O-CG 3.32Å; K1059-E1063 PolarHBondContact O-N 2.81Å; R1060-E1063 CarbonylContact O-C 3.1Å; R1060-E1063 PolarHBondContact O-N 3.36Å; E1063-R1067 WeakPolarHBondContact O-CB 3.05Å; E1063-R1067 WeakPolarHBondContact O-CG 3Å; E1063-R1067 PolarHBondContact O-N 3.48Å |
| 1064 | E | 73.2 | Confident | 71.9 | Confident | 96 Ų | 96 | 103.1 Ų | 103.1 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -88.8 | -32.1 | 167.3 | -164.1 | 176.3 | 143.7 | 0 | 0 | 110.5 | R1060 R1068 | R1060-E1064 WeakPolarHBondContact O-CA 3.26Å; R1060-E1064 WeakPolarHBondContact O-CB 3.38Å; R1060-E1064 PolarHBondContact O-N 3.44Å; E1064-R1068 VanDerWaalsContact O-CB 3.23Å; E1064-R1068 WeakPolarHBondContact O-CB 3.15Å; E1064-R1068 WeakPolarHBondContact O-CG 3.21Å; E1064-R1068 PolarHBondContact O-N 2.88Å; E1064-R1068 IonicContact OE1-CZ 2.74Å; E1064-R1068 IonicContact OE1-NE 2.89Å; E1064-R1068 IonicContact OE1-NH2 2.67Å; E1064-R1068 PolarHBondContact OE1-NH2 2.81Å |
| 1065 | Q | 70.2 | Confident | 71.8 | Confident | 116 Ų | 116 | 101 Ų | 101 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73 | -28.3 | 159 | -73.9 | 174.1 | 40.9 | 0 | 0 | 111.8 | D1061 K1069 | D1061-Q1065 WeakPolarHBondContact O-CA 3.44Å; D1061-Q1065 WeakPolarHBondContact O-CB 3.39Å; D1061-Q1065 WeakPolarHBondContact O-CG 3.48Å; D1061-Q1065 PolarHBondContact O-N 3.23Å; Q1065-K1069 WeakPolarHBondContact O-CA 3.36Å; Q1065-K1069 WeakPolarHBondContact O-CB 3.45Å; Q1065-K1069 WeakPolarHBondContact O-CG 3.48Å; Q1065-K1069 PolarHBondContact O-N 3.11Å |
| 1066 | L | 68.1 | Low | 71.3 | Confident | 94 Ų | 94 | 100.1 Ų | 100.1 | 49% | 0.492 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.1 | -51 | 167.1 | -133.2 | 72.7 | 0 | 0 | 0 | 108.3 | L1062 R1068 K1069 E1070 | L1062-L1066 WeakPolarHBondContact O-CA 3.23Å; L1062-L1066 WeakPolarHBondContact O-CB 3.3Å; L1062-L1066 PolarHBondContact O-N 2.82Å; L1066-R1068 VanDerWaalsContact C-N 3.26Å; L1066-R1068 PolarHBondContact O-N 3.46Å; L1066-K1069 CarbonylContact O-C 3.55Å; L1066-K1069 VanDerWaalsContact O-CA 3.29Å; L1066-K1069 WeakPolarHBondContact O-CA 3.34Å; L1066-K1069 PolarHBondContact O-N 3.28Å; L1066-E1070 HydrophobicContact CG-CG 4.31Å; L1066-E1070 WeakPolarHBondContact O-CA 3.46Å; L1066-E1070 VanDerWaalsContact O-CB 3.26Å; L1066-E1070 WeakPolarHBondContact O-CB 3.06Å; L1066-E1070 WeakPolarHBondContact O-CG 3.12Å; L1066-E1070 PolarHBondContact O-N 3.48Å |
| 1067 | R | 72.1 | Confident | 71.2 | Confident | 186 Ų | 186 | 99 Ų | 99 | 70% | 0.702 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.8 | -32.4 | 175.8 | -80.9 | 170.8 | 157.1 | -169.1 | -6.4 | 113.9 | E1063 A1071 | E1063-R1067 WeakPolarHBondContact O-CB 3.05Å; E1063-R1067 WeakPolarHBondContact O-CG 3Å; E1063-R1067 PolarHBondContact O-N 3.48Å; R1067-A1071 WeakPolarHBondContact O-CB 3.14Å; R1067-A1071 PolarHBondContact O-N 3.34Å |
| 1068 | R | 72.7 | Confident | 71 | Confident | 153 Ų | 153 | 92.8 Ų | 92.8 | 58% | 0.577 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -75.5 | -31.5 | 170.2 | -71.4 | 170.2 | -164.9 | -157.2 | 8.8 | 111.8 | E1064 L1066 E1072 | E1064-R1068 VanDerWaalsContact O-CB 3.23Å; E1064-R1068 WeakPolarHBondContact O-CB 3.15Å; E1064-R1068 WeakPolarHBondContact O-CG 3.21Å; E1064-R1068 PolarHBondContact O-N 2.88Å; E1064-R1068 IonicContact OE1-CZ 2.74Å; E1064-R1068 IonicContact OE1-NE 2.89Å; E1064-R1068 IonicContact OE1-NH2 2.67Å; E1064-R1068 PolarHBondContact OE1-NH2 2.81Å; L1066-R1068 VanDerWaalsContact C-N 3.26Å; L1066-R1068 PolarHBondContact O-N 3.46Å; R1068-E1072 WeakPolarHBondContact O-CA 3.34Å; R1068-E1072 WeakPolarHBondContact O-CB 3.47Å; R1068-E1072 VanDerWaalsContact O-CG 3.23Å; R1068-E1072 WeakPolarHBondContact O-CG 3.23Å; R1068-E1072 PolarHBondContact O-N 2.65Å |
| 1069 | K | 68 | Low | 70.9 | Confident | 112 Ų | 112 | 96 Ų | 96 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -80.1 | -14.8 | 171 | -74.2 | -73 | 172.9 | -162.4 | 0 | 113.8 | Q1065 L1066 E1072 I1073 | Q1065-K1069 WeakPolarHBondContact O-CA 3.36Å; Q1065-K1069 WeakPolarHBondContact O-CB 3.45Å; Q1065-K1069 WeakPolarHBondContact O-CG 3.48Å; Q1065-K1069 PolarHBondContact O-N 3.11Å; L1066-K1069 CarbonylContact O-C 3.55Å; L1066-K1069 VanDerWaalsContact O-CA 3.29Å; L1066-K1069 WeakPolarHBondContact O-CA 3.34Å; L1066-K1069 PolarHBondContact O-N 3.28Å; K1069-E1072 WeakPolarHBondContact CD-OE2 3.32Å; K1069-E1072 VanDerWaalsContact CE-OE2 3.3Å; K1069-E1072 WeakPolarHBondContact CE-OE2 3.31Å; K1069-E1072 IonicContact NZ-OE2 2.73Å; K1069-E1072 PolarHBondContact NZ-OE2 3.11Å; K1069-I1073 WeakPolarHBondContact O-CA 3.46Å; K1069-I1073 WeakPolarHBondContact O-CB 3.32Å; K1069-I1073 VanDerWaalsContact O-CD1 3.28Å; K1069-I1073 WeakPolarHBondContact O-CD1 3.19Å; K1069-I1073 WeakPolarHBondContact O-CG1 3.36Å; K1069-I1073 PolarHBondContact O-N 2.75Å |
| 1070 | E | 71.6 | Confident | 70.6 | Confident | 107 Ų | 107 | 96.5 Ų | 96.5 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -97.8 | -22 | 173.5 | -70.5 | 169.3 | 148.6 | 0 | 0 | 109.8 | L1066 G1074 | L1066-E1070 HydrophobicContact CG-CG 4.31Å; L1066-E1070 WeakPolarHBondContact O-CA 3.46Å; L1066-E1070 VanDerWaalsContact O-CB 3.26Å; L1066-E1070 WeakPolarHBondContact O-CB 3.06Å; L1066-E1070 WeakPolarHBondContact O-CG 3.12Å; L1066-E1070 PolarHBondContact O-N 3.48Å; E1070-G1074 WeakPolarHBondContact O-CA 3.17Å; E1070-G1074 PolarHBondContact O-N 3.17Å |
| 1071 | A | 74.3 | Confident | 70.4 | Confident | 68 Ų | 68 | 96.6 Ų | 96.6 | 56% | 0.562 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -83.8 | -26.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1067 G1075 | R1067-A1071 WeakPolarHBondContact O-CB 3.14Å; R1067-A1071 PolarHBondContact O-N 3.34Å; A1071-G1075 VanDerWaalsContact O-CA 3.24Å; A1071-G1075 WeakPolarHBondContact O-CA 3.37Å; A1071-G1075 PolarHBondContact O-N 2.81Å |
| 1072 | E | 70.3 | Confident | 70.3 | Confident | 96 Ų | 96 | 98.5 Ų | 98.5 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -81.7 | -34.7 | 166 | -77.9 | 176.7 | -174.8 | 0 | 0 | 111.4 | R1068 K1069 G1075 L1076 | R1068-E1072 WeakPolarHBondContact O-CA 3.34Å; R1068-E1072 WeakPolarHBondContact O-CB 3.47Å; R1068-E1072 VanDerWaalsContact O-CG 3.23Å; R1068-E1072 WeakPolarHBondContact O-CG 3.23Å; R1068-E1072 PolarHBondContact O-N 2.65Å; K1069-E1072 WeakPolarHBondContact CD-OE2 3.32Å; K1069-E1072 VanDerWaalsContact CE-OE2 3.3Å; K1069-E1072 WeakPolarHBondContact CE-OE2 3.31Å; K1069-E1072 IonicContact NZ-OE2 2.73Å; K1069-E1072 PolarHBondContact NZ-OE2 3.11Å; E1072-G1075 CarbonylContact O-C 3.46Å; E1072-G1075 PolarHBondContact O-N 3.42Å; E1072-L1076 WeakPolarHBondContact O-CA 3.25Å; E1072-L1076 WeakPolarHBondContact O-CB 3.16Å; E1072-L1076 WeakPolarHBondContact O-CD1 3.49Å; E1072-L1076 WeakPolarHBondContact O-CG 3.32Å; E1072-L1076 PolarHBondContact O-N 3.45Å |
| 1073 | I | 69.7 | Low | 70.4 | Confident | 101 Ų | 101 | 99.3 Ų | 99.3 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -76.7 | -38.2 | 170.9 | -73.5 | 163.1 | 0 | 0 | 0 | 109.6 | K1069 G1075 L1076 S1077 | K1069-I1073 WeakPolarHBondContact O-CA 3.46Å; K1069-I1073 WeakPolarHBondContact O-CB 3.32Å; K1069-I1073 VanDerWaalsContact O-CD1 3.28Å; K1069-I1073 WeakPolarHBondContact O-CD1 3.19Å; K1069-I1073 WeakPolarHBondContact O-CG1 3.36Å; K1069-I1073 PolarHBondContact O-N 2.75Å; I1073-G1075 PolarHBondContact O-N 2.91Å; I1073-L1076 CarbonylContact O-C 3.52Å; I1073-L1076 PolarHBondContact O-N 3.45Å; I1073-S1077 WeakPolarHBondContact O-CA 3.42Å; I1073-S1077 WeakPolarHBondContact O-CB 3.41Å; I1073-S1077 PolarHBondContact O-N 3.29Å; I1073-S1077 PolarHBondContact O-OG 3.03Å; I1073-S1077 VanDerWaalsContact O-OG 3.09Å |
| 1074 | G | 72 | Confident | 70.2 | Confident | 44 Ų | 44 | 100.4 Ų | 100.4 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.4 | -26.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1070 G1078 | E1070-G1074 WeakPolarHBondContact O-CA 3.17Å; E1070-G1074 PolarHBondContact O-N 3.17Å; G1074-G1078 VanDerWaalsContact O-CA 3.32Å; G1074-G1078 WeakPolarHBondContact O-CA 3.42Å; G1074-G1078 PolarHBondContact O-N 3.18Å |
| 1075 | G | 71.1 | Confident | 70.1 | Confident | 31 Ų | 31 | 97.4 Ų | 97.4 | 32% | 0.32 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -86 | -15.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A1071 E1072 I1073 K1079 | A1071-G1075 VanDerWaalsContact O-CA 3.24Å; A1071-G1075 WeakPolarHBondContact O-CA 3.37Å; A1071-G1075 PolarHBondContact O-N 2.81Å; E1072-G1075 CarbonylContact O-C 3.46Å; E1072-G1075 PolarHBondContact O-N 3.42Å; I1073-G1075 PolarHBondContact O-N 2.91Å; G1075-K1079 VanDerWaalsContact O-CB 3.23Å; G1075-K1079 WeakPolarHBondContact O-CB 3.35Å; G1075-K1079 WeakPolarHBondContact O-CG 3.38Å; G1075-K1079 PolarHBondContact O-N 3.39Å |
| 1076 | L | 62 | Low | 70 | Confident | 92 Ų | 92 | 96 Ų | 96 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -95.4 | -32.2 | 172.9 | -79.1 | 165.2 | 0 | 0 | 0 | 110.8 | E1072 I1073 K1079 F1080 | E1072-L1076 WeakPolarHBondContact O-CA 3.25Å; E1072-L1076 WeakPolarHBondContact O-CB 3.16Å; E1072-L1076 WeakPolarHBondContact O-CD1 3.49Å; E1072-L1076 WeakPolarHBondContact O-CG 3.32Å; E1072-L1076 PolarHBondContact O-N 3.45Å; I1073-L1076 CarbonylContact O-C 3.52Å; I1073-L1076 PolarHBondContact O-N 3.45Å; L1076-K1079 CarbonylContact O-C 3.58Å; L1076-K1079 PolarHBondContact O-N 3.44Å; L1076-F1080 WeakPolarHBondContact O-CA 3.33Å; L1076-F1080 WeakPolarHBondContact O-CB 3.45Å; L1076-F1080 PolarHBondContact O-N 3.27Å |
| 1077 | S | 69.3 | Low | 70 | Confident | 61 Ų | 61 | 95.1 Ų | 95.1 | 43% | 0.427 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.5 | -40.7 | 160.9 | -67.7 | 0 | 0 | 0 | 0 | 109.4 | I1073 F1080 E1081 | I1073-S1077 WeakPolarHBondContact O-CA 3.42Å; I1073-S1077 WeakPolarHBondContact O-CB 3.41Å; I1073-S1077 PolarHBondContact O-N 3.29Å; I1073-S1077 PolarHBondContact O-OG 3.03Å; I1073-S1077 VanDerWaalsContact O-OG 3.09Å; S1077-F1080 CarbonylContact O-C 3.48Å; S1077-F1080 PolarHBondContact O-N 3.14Å; S1077-F1080 VanDerWaalsContact O-N 3.14Å; S1077-E1081 WeakPolarHBondContact O-CB 3.34Å; S1077-E1081 WeakPolarHBondContact O-CG 3.28Å; S1077-E1081 PolarHBondContact O-N 3.3Å |
| 1078 | G | 71.9 | Confident | 69.9 | Low | 25 Ų | 25 | 88 Ų | 88 | 26% | 0.258 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1074 F1080 E1081 D1082 | G1074-G1078 VanDerWaalsContact O-CA 3.32Å; G1074-G1078 WeakPolarHBondContact O-CA 3.42Å; G1074-G1078 PolarHBondContact O-N 3.18Å; G1078-F1080 VanDerWaalsContact C-N 3.29Å; G1078-F1080 PolarHBondContact O-N 2.79Å; G1078-E1081 PolarHBondContact O-N 3.42Å; G1078-D1082 VanDerWaalsContact O-CB 3.29Å; G1078-D1082 WeakPolarHBondContact O-CB 3.49Å; G1078-D1082 PolarHBondContact O-N 3.36Å |
| 1079 | K | 68.7 | Low | 69.7 | Low | 135 Ų | 135 | 85.8 Ų | 85.8 | 59% | 0.587 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.7 | -19.9 | 171.9 | -78.8 | 173.2 | 178.8 | -175.4 | 0 | 114.6 | G1075 L1076 D1082 E1083 | G1075-K1079 VanDerWaalsContact O-CB 3.23Å; G1075-K1079 WeakPolarHBondContact O-CB 3.35Å; G1075-K1079 WeakPolarHBondContact O-CG 3.38Å; G1075-K1079 PolarHBondContact O-N 3.39Å; L1076-K1079 CarbonylContact O-C 3.58Å; L1076-K1079 PolarHBondContact O-N 3.44Å; K1079-D1082 CarbonylContact O-C 3.51Å; K1079-E1083 WeakPolarHBondContact O-CA 3.41Å; K1079-E1083 WeakPolarHBondContact O-CB 3.25Å; K1079-E1083 VanDerWaalsContact O-CG 3.24Å; K1079-E1083 WeakPolarHBondContact O-CG 3.1Å; K1079-E1083 PolarHBondContact O-N 2.84Å |
| 1080 | F | 68.4 | Low | 69.5 | Low | 113 Ų | 113 | 84.3 Ų | 84.3 | 50% | 0.496 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -93 | -23.2 | 177.8 | -177.2 | -104.5 | 0 | 0 | 0 | 111.6 | L1076 S1077 G1078 Q1084 | L1076-F1080 WeakPolarHBondContact O-CA 3.33Å; L1076-F1080 WeakPolarHBondContact O-CB 3.45Å; L1076-F1080 PolarHBondContact O-N 3.27Å; S1077-F1080 CarbonylContact O-C 3.48Å; S1077-F1080 PolarHBondContact O-N 3.14Å; S1077-F1080 VanDerWaalsContact O-N 3.14Å; G1078-F1080 VanDerWaalsContact C-N 3.29Å; G1078-F1080 PolarHBondContact O-N 2.79Å; F1080-Q1084 HydrophobicContact CD1-CG 4.36Å; F1080-Q1084 HydrophobicContact CE1-CG 4.16Å; F1080-Q1084 HydrophobicContact CE2-CG 4.47Å; F1080-Q1084 HydrophobicContact CZ-CG 4.23Å; F1080-Q1084 VanDerWaalsContact CZ-NE2 3.27Å; F1080-Q1084 WeakPolarHBondContact O-CA 3.22Å; F1080-Q1084 WeakPolarHBondContact O-CB 3.45Å; F1080-Q1084 VanDerWaalsContact O-CG 3.22Å; F1080-Q1084 WeakPolarHBondContact O-CG 3.24Å; F1080-Q1084 PolarHBondContact O-N 3.37Å |
| 1081 | E | 70.7 | Confident | 69.3 | Low | 136 Ų | 136 | 85.3 Ų | 85.3 | 64% | 0.636 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -79.4 | -29.4 | 162.6 | -73.4 | -169 | 157.4 | 0 | 0 | 110.7 | S1077 G1078 G1085 | S1077-E1081 WeakPolarHBondContact O-CB 3.34Å; S1077-E1081 WeakPolarHBondContact O-CG 3.28Å; S1077-E1081 PolarHBondContact O-N 3.3Å; G1078-E1081 PolarHBondContact O-N 3.42Å; E1081-G1085 WeakPolarHBondContact O-CA 3.22Å; E1081-G1085 PolarHBondContact O-N 2.89Å |
| 1082 | D | 71.8 | Confident | 69.1 | Low | 119 Ų | 119 | 89.7 Ų | 89.7 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -75.9 | -32.9 | 165.8 | -77.7 | -32 | 0 | 0 | 0 | 111.3 | G1078 K1079 G1085 L1086 | G1078-D1082 VanDerWaalsContact O-CB 3.29Å; G1078-D1082 WeakPolarHBondContact O-CB 3.49Å; G1078-D1082 PolarHBondContact O-N 3.36Å; K1079-D1082 CarbonylContact O-C 3.51Å; D1082-G1085 CarbonylContact O-C 3.57Å; D1082-L1086 WeakPolarHBondContact O-CA 3.26Å; D1082-L1086 WeakPolarHBondContact O-CB 3.42Å; D1082-L1086 PolarHBondContact O-N 3.47Å |
| 1083 | E | 69.4 | Low | 69.1 | Low | 112 Ų | 112 | 89.9 Ų | 89.9 | 52% | 0.523 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -81.9 | -38.2 | 175.1 | -84.9 | -178.5 | 170.9 | 0 | 0 | 111.8 | K1079 G1085 L1086 V1087 | K1079-E1083 WeakPolarHBondContact O-CA 3.41Å; K1079-E1083 WeakPolarHBondContact O-CB 3.25Å; K1079-E1083 VanDerWaalsContact O-CG 3.24Å; K1079-E1083 WeakPolarHBondContact O-CG 3.1Å; K1079-E1083 PolarHBondContact O-N 2.84Å; E1083-G1085 VanDerWaalsContact C-N 3.28Å; E1083-L1086 CarbonylContact O-C 3.47Å; E1083-L1086 PolarHBondContact O-N 3.01Å; E1083-V1087 WeakPolarHBondContact O-CA 3.44Å; E1083-V1087 WeakPolarHBondContact O-CB 3.31Å; E1083-V1087 WeakPolarHBondContact O-CG2 3.47Å; E1083-V1087 PolarHBondContact O-N 2.9Å |
| 1084 | Q | 67.9 | Low | 69 | Low | 111 Ų | 111 | 89.7 Ų | 89.7 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68 | -32.4 | 164.4 | -74.7 | -165.8 | 9.2 | 0 | 0 | 110.6 | F1080 A1088 | F1080-Q1084 HydrophobicContact CD1-CG 4.36Å; F1080-Q1084 HydrophobicContact CE1-CG 4.16Å; F1080-Q1084 HydrophobicContact CE2-CG 4.47Å; F1080-Q1084 HydrophobicContact CZ-CG 4.23Å; F1080-Q1084 VanDerWaalsContact CZ-NE2 3.27Å; F1080-Q1084 WeakPolarHBondContact O-CA 3.22Å; F1080-Q1084 WeakPolarHBondContact O-CB 3.45Å; F1080-Q1084 VanDerWaalsContact O-CG 3.22Å; F1080-Q1084 WeakPolarHBondContact O-CG 3.24Å; F1080-Q1084 PolarHBondContact O-N 3.37Å; Q1084-A1088 WeakPolarHBondContact O-CA 3.16Å; Q1084-A1088 WeakPolarHBondContact O-CB 3.4Å; Q1084-A1088 PolarHBondContact O-N 3.32Å |
| 1085 | G | 72.6 | Confident | 69 | Low | 34 Ų | 34 | 94.8 Ų | 94.8 | 35% | 0.351 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.9 | -35.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | E1081 D1082 E1083 A1088 Q1089 | E1081-G1085 WeakPolarHBondContact O-CA 3.22Å; E1081-G1085 PolarHBondContact O-N 2.89Å; D1082-G1085 CarbonylContact O-C 3.57Å; E1083-G1085 VanDerWaalsContact C-N 3.28Å; G1085-A1088 CarbonylContact O-C 3.57Å; G1085-Q1089 VanDerWaalsContact O-CB 3.25Å; G1085-Q1089 WeakPolarHBondContact O-CB 3.48Å; G1085-Q1089 PolarHBondContact O-N 3.42Å |
| 1086 | L | 68.2 | Low | 69 | Low | 86 Ų | 86 | 98.7 Ų | 98.7 | 45% | 0.45 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -78 | -38.8 | 174.5 | -170.7 | 72.3 | 0 | 0 | 0 | 110.5 | D1082 E1083 A1088 Q1089 L1090 | D1082-L1086 WeakPolarHBondContact O-CA 3.26Å; D1082-L1086 WeakPolarHBondContact O-CB 3.42Å; D1082-L1086 PolarHBondContact O-N 3.47Å; E1083-L1086 CarbonylContact O-C 3.47Å; E1083-L1086 PolarHBondContact O-N 3.01Å; L1086-A1088 VanDerWaalsContact C-N 3.33Å; L1086-Q1089 CarbonylContact O-C 3.59Å; L1086-Q1089 PolarHBondContact O-N 3.46Å; L1086-L1090 HydrophobicContact CD2-CD1 4.34Å; L1086-L1090 HydrophobicContact CG-CD1 3.92Å; L1086-L1090 HydrophobicContact CG-CG 4.3Å; L1086-L1090 WeakPolarHBondContact O-CA 3.35Å; L1086-L1090 WeakPolarHBondContact O-CB 3.2Å; L1086-L1090 WeakPolarHBondContact O-CG 3.33Å; L1086-L1090 PolarHBondContact O-N 3.13Å |
| 1087 | V | 67 | Low | 69 | Low | 75 Ų | 75 | 99.1 Ų | 99.1 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.8 | -32.9 | 171.6 | 167.4 | 0 | 0 | 0 | 0 | 110.3 | E1083 L1090 Q1091 | E1083-V1087 WeakPolarHBondContact O-CA 3.44Å; E1083-V1087 WeakPolarHBondContact O-CB 3.31Å; E1083-V1087 WeakPolarHBondContact O-CG2 3.47Å; E1083-V1087 PolarHBondContact O-N 2.9Å; V1087-L1090 CarbonylContact O-C 3.48Å; V1087-L1090 PolarHBondContact O-N 3.37Å; V1087-Q1091 HydrophobicContact CG1-CG 4.46Å; V1087-Q1091 VanDerWaalsContact O-CB 3.23Å; V1087-Q1091 WeakPolarHBondContact O-CB 3.27Å; V1087-Q1091 VanDerWaalsContact O-CG 3.27Å; V1087-Q1091 WeakPolarHBondContact O-CG 3.41Å; V1087-Q1091 PolarHBondContact O-N 2.91Å |
| 1088 | A | 71.1 | Confident | 68.9 | Low | 37 Ų | 37 | 101.4 Ų | 101.4 | 31% | 0.306 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75.9 | -32.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q1084 G1085 L1086 L1090 R1092 | Q1084-A1088 WeakPolarHBondContact O-CA 3.16Å; Q1084-A1088 WeakPolarHBondContact O-CB 3.4Å; Q1084-A1088 PolarHBondContact O-N 3.32Å; G1085-A1088 CarbonylContact O-C 3.57Å; L1086-A1088 VanDerWaalsContact C-N 3.33Å; A1088-L1090 VanDerWaalsContact C-N 3.32Å; A1088-R1092 WeakPolarHBondContact O-CA 3.24Å; A1088-R1092 WeakPolarHBondContact O-CB 3.49Å; A1088-R1092 WeakPolarHBondContact O-CG 3.07Å; A1088-R1092 PolarHBondContact O-N 2.84Å |
| 1089 | Q | 67.5 | Low | 68.9 | Low | 106 Ų | 106 | 103.6 Ų | 103.6 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.9 | -23 | 167.9 | -96.3 | -163.8 | 17.9 | 0 | 0 | 112.4 | G1085 L1086 K1093 | G1085-Q1089 VanDerWaalsContact O-CB 3.25Å; G1085-Q1089 WeakPolarHBondContact O-CB 3.48Å; G1085-Q1089 PolarHBondContact O-N 3.42Å; L1086-Q1089 CarbonylContact O-C 3.59Å; L1086-Q1089 PolarHBondContact O-N 3.46Å; Q1089-K1093 WeakPolarHBondContact O-CA 3.06Å; Q1089-K1093 WeakPolarHBondContact O-CB 3.46Å; Q1089-K1093 WeakPolarHBondContact O-CG 2.98Å; Q1089-K1093 PolarHBondContact O-N 2.88Å |
| 1090 | L | 65 | Low | 68.9 | Low | 81 Ų | 81 | 102.8 Ų | 102.8 | 42% | 0.424 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -92.8 | -30.3 | 178.7 | -75.9 | 169.9 | 0 | 0 | 0 | 110.4 | L1086 V1087 A1088 K1093 I1094 | L1086-L1090 HydrophobicContact CD2-CD1 4.34Å; L1086-L1090 HydrophobicContact CG-CD1 3.92Å; L1086-L1090 HydrophobicContact CG-CG 4.3Å; L1086-L1090 WeakPolarHBondContact O-CA 3.35Å; L1086-L1090 WeakPolarHBondContact O-CB 3.2Å; L1086-L1090 WeakPolarHBondContact O-CG 3.33Å; L1086-L1090 PolarHBondContact O-N 3.13Å; V1087-L1090 CarbonylContact O-C 3.48Å; V1087-L1090 PolarHBondContact O-N 3.37Å; A1088-L1090 VanDerWaalsContact C-N 3.32Å; L1090-K1093 CarbonylContact O-C 3.53Å; L1090-K1093 PolarHBondContact O-N 2.77Å; L1090-I1094 WeakPolarHBondContact O-CA 3.47Å; L1090-I1094 WeakPolarHBondContact O-CB 3.38Å; L1090-I1094 VanDerWaalsContact O-CD1 3.31Å; L1090-I1094 WeakPolarHBondContact O-CD1 3.3Å; L1090-I1094 WeakPolarHBondContact O-CG1 3.41Å; L1090-I1094 PolarHBondContact O-N 3.44Å |
| 1091 | Q | 65.7 | Low | 68.7 | Low | 129 Ų | 129 | 102 Ų | 102 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -74 | -34.7 | 163.9 | -75.1 | -178.3 | 0.5 | 0 | 0 | 110.9 | V1087 K1095 | V1087-Q1091 HydrophobicContact CG1-CG 4.46Å; V1087-Q1091 VanDerWaalsContact O-CB 3.23Å; V1087-Q1091 WeakPolarHBondContact O-CB 3.27Å; V1087-Q1091 VanDerWaalsContact O-CG 3.27Å; V1087-Q1091 WeakPolarHBondContact O-CG 3.41Å; V1087-Q1091 PolarHBondContact O-N 2.91Å; Q1091-K1095 WeakPolarHBondContact O-CB 3.34Å; Q1091-K1095 PolarHBondContact O-N 3.49Å |
| 1092 | R | 70.9 | Confident | 68.7 | Low | 160 Ų | 160 | 101.2 Ų | 101.2 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.5 | -36.8 | 165.9 | -75.6 | -176.8 | -153.3 | 166.5 | 12.8 | 112 | A1088 K1095 E1096 | A1088-R1092 WeakPolarHBondContact O-CA 3.24Å; A1088-R1092 WeakPolarHBondContact O-CB 3.49Å; A1088-R1092 WeakPolarHBondContact O-CG 3.07Å; A1088-R1092 PolarHBondContact O-N 2.84Å; R1092-K1095 PolarHBondContact O-N 2.79Å; R1092-E1096 WeakPolarHBondContact O-CA 3.29Å; R1092-E1096 WeakPolarHBondContact O-CB 2.93Å; R1092-E1096 WeakPolarHBondContact O-CG 3.43Å; R1092-E1096 PolarHBondContact O-N 3.42Å |
| 1093 | K | 70.7 | Confident | 68.4 | Low | 100 Ų | 100 | 99.6 Ų | 99.6 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -74.2 | -24.3 | 171.6 | -83.4 | 171.7 | 175.2 | 166.1 | 0 | 112.8 | Q1089 L1090 L1097 | Q1089-K1093 WeakPolarHBondContact O-CA 3.06Å; Q1089-K1093 WeakPolarHBondContact O-CB 3.46Å; Q1089-K1093 WeakPolarHBondContact O-CG 2.98Å; Q1089-K1093 PolarHBondContact O-N 2.88Å; L1090-K1093 CarbonylContact O-C 3.53Å; L1090-K1093 PolarHBondContact O-N 2.77Å; K1093-L1097 WeakPolarHBondContact O-CA 3.35Å; K1093-L1097 WeakPolarHBondContact O-CB 3.1Å; K1093-L1097 WeakPolarHBondContact O-CD1 3.03Å; K1093-L1097 WeakPolarHBondContact O-CG 3.36Å; K1093-L1097 PolarHBondContact O-N 3.45Å |
| 1094 | I | 66.9 | Low | 68.1 | Low | 96 Ų | 96 | 98.8 Ų | 98.8 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -77.9 | -40.2 | 172.2 | -75.5 | 161.6 | 0 | 0 | 0 | 108.8 | L1090 L1097 Q1098 | L1090-I1094 WeakPolarHBondContact O-CA 3.47Å; L1090-I1094 WeakPolarHBondContact O-CB 3.38Å; L1090-I1094 VanDerWaalsContact O-CD1 3.31Å; L1090-I1094 WeakPolarHBondContact O-CD1 3.3Å; L1090-I1094 WeakPolarHBondContact O-CG1 3.41Å; L1090-I1094 PolarHBondContact O-N 3.44Å; I1094-L1097 CarbonylContact O-C 3.56Å; I1094-L1097 PolarHBondContact O-N 2.83Å; I1094-Q1098 HydrophobicContact CG2-CG 4.39Å; I1094-Q1098 WeakPolarHBondContact O-CA 3.47Å; I1094-Q1098 WeakPolarHBondContact O-CB 3.11Å; I1094-Q1098 WeakPolarHBondContact O-CG 3.43Å; I1094-Q1098 PolarHBondContact O-N 2.87Å; I1094-Q1098 PolarHBondContact O-OE1 2.87Å |
| 1095 | K | 72.4 | Confident | 67.8 | Low | 152 Ų | 152 | 98.8 Ų | 98.8 | 66% | 0.661 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.6 | -47 | 170.3 | -82.7 | -162.8 | 168.1 | -167.2 | 0 | 112.6 | Q1091 R1092 L1097 Q1098 T1099 | Q1091-K1095 WeakPolarHBondContact O-CB 3.34Å; Q1091-K1095 PolarHBondContact O-N 3.49Å; R1092-K1095 PolarHBondContact O-N 2.79Å; K1095-L1097 VanDerWaalsContact C-N 3.31Å; K1095-L1097 PolarHBondContact O-N 3.1Å; K1095-Q1098 CarbonylContact O-C 3.54Å; K1095-Q1098 PolarHBondContact O-N 2.82Å; K1095-Q1098 VanDerWaalsContact O-N 3.12Å; K1095-T1099 PolarHBondContact O-N 3.49Å; K1095-T1099 PolarHBondContact O-OG1 2.84Å; K1095-T1099 VanDerWaalsContact O-OG1 3.05Å |
| 1096 | E | 70.1 | Confident | 67.7 | Low | 113 Ų | 113 | 104.1 Ų | 104.1 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 173.1 | -75.1 | 169.9 | 168.1 | 0 | 0 | 110 | R1092 T1099 R1100 | R1092-E1096 WeakPolarHBondContact O-CA 3.29Å; R1092-E1096 WeakPolarHBondContact O-CB 2.93Å; R1092-E1096 WeakPolarHBondContact O-CG 3.43Å; R1092-E1096 PolarHBondContact O-N 3.42Å; E1096-T1099 WeakPolarHBondContact CA-OG1 2.9Å; E1096-T1099 CarbonylContact O-C 3.19Å; E1096-T1099 PolarHBondContact O-OG1 2.77Å; E1096-R1100 VanDerWaalsContact O-CA 3.3Å; E1096-R1100 WeakPolarHBondContact O-CA 3.48Å; E1096-R1100 WeakPolarHBondContact O-CB 3.33Å; E1096-R1100 PolarHBondContact O-N 2.78Å |
| 1097 | L | 63.6 | Low | 67.6 | Low | 100 Ų | 100 | 103.9 Ų | 103.9 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -80.1 | -16.4 | 173.2 | -69.6 | 167.3 | 0 | 0 | 0 | 113.3 | K1093 I1094 K1095 R1100 I1101 | K1093-L1097 WeakPolarHBondContact O-CA 3.35Å; K1093-L1097 WeakPolarHBondContact O-CB 3.1Å; K1093-L1097 WeakPolarHBondContact O-CD1 3.03Å; K1093-L1097 WeakPolarHBondContact O-CG 3.36Å; K1093-L1097 PolarHBondContact O-N 3.45Å; I1094-L1097 CarbonylContact O-C 3.56Å; I1094-L1097 PolarHBondContact O-N 2.83Å; K1095-L1097 VanDerWaalsContact C-N 3.31Å; K1095-L1097 PolarHBondContact O-N 3.1Å; L1097-R1100 HydrophobicContact CD2-CB 4.38Å; L1097-R1100 CarbonylContact O-C 3.35Å; L1097-I1101 WeakPolarHBondContact O-CA 3.31Å; L1097-I1101 WeakPolarHBondContact O-CB 2.94Å; L1097-I1101 WeakPolarHBondContact O-CD1 3.27Å; L1097-I1101 WeakPolarHBondContact O-CG1 3.05Å; L1097-I1101 PolarHBondContact O-N 3.46Å |
| 1098 | Q | 66.1 | Low | 67.2 | Low | 109 Ų | 109 | 104.3 Ų | 104.3 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -81.6 | -41.1 | 169.7 | -81.3 | 169.6 | -27.4 | 0 | 0 | 110 | I1094 K1095 R1100 I1101 Q1102 | I1094-Q1098 HydrophobicContact CG2-CG 4.39Å; I1094-Q1098 WeakPolarHBondContact O-CA 3.47Å; I1094-Q1098 WeakPolarHBondContact O-CB 3.11Å; I1094-Q1098 WeakPolarHBondContact O-CG 3.43Å; I1094-Q1098 PolarHBondContact O-N 2.87Å; I1094-Q1098 PolarHBondContact O-OE1 2.87Å; K1095-Q1098 CarbonylContact O-C 3.54Å; K1095-Q1098 PolarHBondContact O-N 2.82Å; K1095-Q1098 VanDerWaalsContact O-N 3.12Å; Q1098-R1100 VanDerWaalsContact C-N 3.28Å; Q1098-I1101 PolarHBondContact O-N 3.15Å; Q1098-Q1102 WeakPolarHBondContact O-CB 2.94Å; Q1098-Q1102 WeakPolarHBondContact O-CG 2.96Å; Q1098-Q1102 PolarHBondContact O-N 2.93Å |
| 1099 | T | 71.3 | Confident | 67 | Low | 72 Ų | 72 | 108 Ų | 108 | 44% | 0.442 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.6 | -18.5 | 166 | 60.1 | 0 | 0 | 0 | 0 | 112 | K1095 E1096 E1103 | K1095-T1099 PolarHBondContact O-N 3.49Å; K1095-T1099 PolarHBondContact O-OG1 2.84Å; K1095-T1099 VanDerWaalsContact O-OG1 3.05Å; E1096-T1099 WeakPolarHBondContact CA-OG1 2.9Å; E1096-T1099 CarbonylContact O-C 3.19Å; E1096-T1099 PolarHBondContact O-OG1 2.77Å; T1099-E1103 WeakPolarHBondContact O-CA 3.39Å; T1099-E1103 WeakPolarHBondContact O-CB 3.46Å; T1099-E1103 WeakPolarHBondContact O-CG 3.23Å; T1099-E1103 PolarHBondContact O-N 3.37Å |
| 1100 | R | 70.4 | Confident | 67.1 | Low | 118 Ų | 118 | 105.3 Ų | 105.3 | 45% | 0.445 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -88.6 | -21.9 | 169.9 | -157.1 | 66 | 172.1 | -177.6 | 9.9 | 111.9 | E1096 L1097 Q1098 E1103 L1104 | E1096-R1100 VanDerWaalsContact O-CA 3.3Å; E1096-R1100 WeakPolarHBondContact O-CA 3.48Å; E1096-R1100 WeakPolarHBondContact O-CB 3.33Å; E1096-R1100 PolarHBondContact O-N 2.78Å; L1097-R1100 HydrophobicContact CD2-CB 4.38Å; L1097-R1100 CarbonylContact O-C 3.35Å; Q1098-R1100 VanDerWaalsContact C-N 3.28Å; R1100-E1103 WeakPolarHBondContact CD-OE2 3.34Å; R1100-E1103 IonicContact CZ-OE2 2.69Å; R1100-E1103 IonicContact NE-OE2 3.45Å; R1100-E1103 IonicContact NH1-OE2 3.49Å; R1100-E1103 PolarHBondContact NH1-OE2 2.9Å; R1100-L1104 HydrophobicContact CG-CD1 3.97Å; R1100-L1104 HydrophobicContact CG-CG 4.15Å; R1100-L1104 WeakPolarHBondContact O-CA 3.48Å; R1100-L1104 WeakPolarHBondContact O-CB 3.24Å; R1100-L1104 WeakPolarHBondContact O-CD1 3.24Å; R1100-L1104 WeakPolarHBondContact O-CG 3.23Å; R1100-L1104 PolarHBondContact O-N 3.29Å |
| 1101 | I | 62.6 | Low | 66.8 | Low | 95 Ų | 95 | 106 Ų | 106 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -75.3 | -40.8 | 164 | -76.9 | 162.7 | 0 | 0 | 0 | 108.3 | L1097 Q1098 L1104 E1105 | L1097-I1101 WeakPolarHBondContact O-CA 3.31Å; L1097-I1101 WeakPolarHBondContact O-CB 2.94Å; L1097-I1101 WeakPolarHBondContact O-CD1 3.27Å; L1097-I1101 WeakPolarHBondContact O-CG1 3.05Å; L1097-I1101 PolarHBondContact O-N 3.46Å; Q1098-I1101 PolarHBondContact O-N 3.15Å; I1101-L1104 CarbonylContact O-C 3.57Å; I1101-L1104 PolarHBondContact O-N 3.06Å; I1101-E1105 HydrophobicContact CG2-CG 4.22Å; I1101-E1105 WeakPolarHBondContact O-CA 3.36Å; I1101-E1105 WeakPolarHBondContact O-CB 3.39Å; I1101-E1105 WeakPolarHBondContact O-CG 3.41Å; I1101-E1105 PolarHBondContact O-N 3.27Å |
| 1102 | Q | 71.4 | Confident | 66.5 | Low | 121 Ų | 121 | 106.5 Ų | 106.5 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.2 | -38 | 171.9 | -70.4 | -173.8 | -54.3 | 0 | 0 | 112.9 | Q1098 E1105 E1106 | Q1098-Q1102 WeakPolarHBondContact O-CB 2.94Å; Q1098-Q1102 WeakPolarHBondContact O-CG 2.96Å; Q1098-Q1102 PolarHBondContact O-N 2.93Å; Q1102-E1105 PolarHBondContact O-N 2.82Å; Q1102-E1106 VanDerWaalsContact O-CB 3.26Å; Q1102-E1106 WeakPolarHBondContact O-CB 3.47Å; Q1102-E1106 WeakPolarHBondContact O-CG 3.43Å; Q1102-E1106 PolarHBondContact O-N 3.35Å |
| 1103 | E | 66.5 | Low | 66 | Low | 84 Ų | 84 | 101.5 Ų | 101.5 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71 | -27.5 | 170.1 | -76.4 | 168.3 | 173.5 | 0 | 0 | 111.3 | T1099 R1100 D1107 | T1099-E1103 WeakPolarHBondContact O-CA 3.39Å; T1099-E1103 WeakPolarHBondContact O-CB 3.46Å; T1099-E1103 WeakPolarHBondContact O-CG 3.23Å; T1099-E1103 PolarHBondContact O-N 3.37Å; R1100-E1103 WeakPolarHBondContact CD-OE2 3.34Å; R1100-E1103 IonicContact CZ-OE2 2.69Å; R1100-E1103 IonicContact NE-OE2 3.45Å; R1100-E1103 IonicContact NH1-OE2 3.49Å; R1100-E1103 PolarHBondContact NH1-OE2 2.9Å; E1103-D1107 VanDerWaalsContact O-CA 3.3Å; E1103-D1107 WeakPolarHBondContact O-CA 3.36Å; E1103-D1107 WeakPolarHBondContact O-CB 3.41Å; E1103-D1107 PolarHBondContact O-N 2.7Å |
| 1104 | L | 63 | Low | 65.6 | Low | 96 Ų | 96 | 99 Ų | 99 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -88.8 | -11.9 | 172.5 | -70.3 | 169.2 | 0 | 0 | 0 | 113 | R1100 I1101 L1108 | R1100-L1104 HydrophobicContact CG-CD1 3.97Å; R1100-L1104 HydrophobicContact CG-CG 4.15Å; R1100-L1104 WeakPolarHBondContact O-CA 3.48Å; R1100-L1104 WeakPolarHBondContact O-CB 3.24Å; R1100-L1104 WeakPolarHBondContact O-CD1 3.24Å; R1100-L1104 WeakPolarHBondContact O-CG 3.23Å; R1100-L1104 PolarHBondContact O-N 3.29Å; I1101-L1104 CarbonylContact O-C 3.57Å; I1101-L1104 PolarHBondContact O-N 3.06Å; L1104-L1108 WeakPolarHBondContact O-CA 3.37Å; L1104-L1108 WeakPolarHBondContact O-CB 3.31Å; L1104-L1108 PolarHBondContact O-N 2.75Å |
| 1105 | E | 61.6 | Low | 65.1 | Low | 110 Ų | 110 | 102.2 Ų | 102.2 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -85.8 | -43.6 | 167.5 | -78.7 | 170.5 | 162.4 | 0 | 0 | 108.3 | I1101 Q1102 L1108 E1109 | I1101-E1105 HydrophobicContact CG2-CG 4.22Å; I1101-E1105 WeakPolarHBondContact O-CA 3.36Å; I1101-E1105 WeakPolarHBondContact O-CB 3.39Å; I1101-E1105 WeakPolarHBondContact O-CG 3.41Å; I1101-E1105 PolarHBondContact O-N 3.27Å; Q1102-E1105 PolarHBondContact O-N 2.82Å; E1105-L1108 CarbonylContact O-C 3.6Å; E1105-L1108 PolarHBondContact O-N 2.87Å; E1105-E1109 WeakPolarHBondContact O-CB 3.49Å; E1105-E1109 PolarHBondContact O-N 2.69Å |
| 1106 | E | 69.2 | Low | 64.6 | Low | 146 Ų | 146 | 98.3 Ų | 98.3 | 68% | 0.682 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.3 | -38.6 | 167.8 | -72 | -162.4 | 140.2 | 0 | 0 | 111.9 | Q1102 A1110 | Q1102-E1106 VanDerWaalsContact O-CB 3.26Å; Q1102-E1106 WeakPolarHBondContact O-CB 3.47Å; Q1102-E1106 WeakPolarHBondContact O-CG 3.43Å; Q1102-E1106 PolarHBondContact O-N 3.35Å; E1106-A1110 WeakPolarHBondContact O-CA 3.29Å; E1106-A1110 WeakPolarHBondContact O-CB 3.41Å; E1106-A1110 PolarHBondContact O-N 3.39Å |
| 1107 | D | 67 | Low | 64.3 | Low | 81 Ų | 81 | 100.6 Ų | 100.6 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -74.6 | -22.7 | 169.7 | -76.4 | -26.4 | 0 | 0 | 0 | 111.3 | E1103 E1111 | E1103-D1107 VanDerWaalsContact O-CA 3.3Å; E1103-D1107 WeakPolarHBondContact O-CA 3.36Å; E1103-D1107 WeakPolarHBondContact O-CB 3.41Å; E1103-D1107 PolarHBondContact O-N 2.7Å; D1107-E1111 VanDerWaalsContact O-CA 3.3Å; D1107-E1111 WeakPolarHBondContact O-CA 3.45Å; D1107-E1111 WeakPolarHBondContact O-CB 3.49Å; D1107-E1111 PolarHBondContact O-N 3.38Å |
| 1108 | L | 58.2 | Low | 64 | Low | 85 Ų | 85 | 98.2 Ų | 98.2 | 45% | 0.445 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -79.2 | -34.6 | 170.4 | -178.7 | 67 | 0 | 0 | 0 | 111.1 | L1104 E1105 R1112 | L1104-L1108 WeakPolarHBondContact O-CA 3.37Å; L1104-L1108 WeakPolarHBondContact O-CB 3.31Å; L1104-L1108 PolarHBondContact O-N 2.75Å; E1105-L1108 CarbonylContact O-C 3.6Å; E1105-L1108 PolarHBondContact O-N 2.87Å; L1108-R1112 WeakPolarHBondContact O-CA 3.35Å; L1108-R1112 WeakPolarHBondContact O-CB 3.46Å; L1108-R1112 VanDerWaalsContact O-CD 3.25Å; L1108-R1112 WeakPolarHBondContact O-CD 3.34Å; L1108-R1112 WeakPolarHBondContact O-CG 3.44Å; L1108-R1112 PolarHBondContact O-N 3.09Å |
| 1109 | E | 67.8 | Low | 63.6 | Low | 113 Ų | 113 | 98 Ų | 98 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.6 | -36.9 | 171.5 | -128.7 | 69.5 | -87.6 | 0 | 0 | 110.5 | E1105 R1112 A1113 | E1105-E1109 WeakPolarHBondContact O-CB 3.49Å; E1105-E1109 PolarHBondContact O-N 2.69Å; E1109-R1112 PolarHBondContact O-N 3.47Å; E1109-R1112 WeakPolarHBondContact OE1-CD 3.41Å; E1109-R1112 IonicContact OE1-CZ 2.87Å; E1109-R1112 IonicContact OE1-NE 2.75Å; E1109-R1112 IonicContact OE1-NH1 2.62Å; E1109-R1112 PolarHBondContact OE1-NH1 2.62Å; E1109-R1112 IonicContact OE2-NH1 3.95Å; E1109-A1113 WeakPolarHBondContact O-CB 3.28Å; E1109-A1113 PolarHBondContact O-N 2.98Å |
| 1110 | A | 69.7 | Low | 63.2 | Low | 50 Ų | 50 | 101 Ų | 101 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -80.4 | -23.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1106 A1114 | E1106-A1110 WeakPolarHBondContact O-CA 3.29Å; E1106-A1110 WeakPolarHBondContact O-CB 3.41Å; E1106-A1110 PolarHBondContact O-N 3.39Å; A1110-A1114 VanDerWaalsContact O-CA 3.28Å; A1110-A1114 WeakPolarHBondContact O-CA 3.34Å; A1110-A1114 WeakPolarHBondContact O-CB 3.38Å; A1110-A1114 PolarHBondContact O-N 3.5Å |
| 1111 | E | 57.7 | Low | 62.5 | Low | 97 Ų | 97 | 97.4 Ų | 97.4 | 45% | 0.453 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -88.7 | -18.8 | 166.2 | -162.1 | -172.5 | 135.6 | 0 | 0 | 111.1 | D1107 R1115 | D1107-E1111 VanDerWaalsContact O-CA 3.3Å; D1107-E1111 WeakPolarHBondContact O-CA 3.45Å; D1107-E1111 WeakPolarHBondContact O-CB 3.49Å; D1107-E1111 PolarHBondContact O-N 3.38Å; E1111-R1115 HydrophobicContact CG-CG 4.13Å; E1111-R1115 WeakPolarHBondContact O-CA 3.28Å; E1111-R1115 WeakPolarHBondContact O-CB 3.17Å; E1111-R1115 WeakPolarHBondContact O-CG 3.18Å; E1111-R1115 PolarHBondContact O-N 2.85Å; E1111-R1115 IonicContact OE1-CZ 3.95Å; E1111-R1115 IonicContact OE1-NE 2.77Å; E1111-R1115 PolarHBondContact OE1-NE 2.98Å; E1111-R1115 IonicContact OE1-NH2 2.93Å; E1111-R1115 PolarHBondContact OE1-NH2 2.71Å |
| 1112 | R | 60.3 | Low | 62.3 | Low | 138 Ų | 138 | 98.5 Ų | 98.5 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.7 | -44.7 | 160.3 | -79.4 | 160.7 | 178.5 | 172.1 | 3.2 | 109.9 | L1108 E1109 S1116 | L1108-R1112 WeakPolarHBondContact O-CA 3.35Å; L1108-R1112 WeakPolarHBondContact O-CB 3.46Å; L1108-R1112 VanDerWaalsContact O-CD 3.25Å; L1108-R1112 WeakPolarHBondContact O-CD 3.34Å; L1108-R1112 WeakPolarHBondContact O-CG 3.44Å; L1108-R1112 PolarHBondContact O-N 3.09Å; E1109-R1112 PolarHBondContact O-N 3.47Å; E1109-R1112 WeakPolarHBondContact OE1-CD 3.41Å; E1109-R1112 IonicContact OE1-CZ 2.87Å; E1109-R1112 IonicContact OE1-NE 2.75Å; E1109-R1112 IonicContact OE1-NH1 2.62Å; E1109-R1112 PolarHBondContact OE1-NH1 2.62Å; E1109-R1112 IonicContact OE2-NH1 3.95Å; R1112-S1116 VanDerWaalsContact O-CB 3.29Å; R1112-S1116 WeakPolarHBondContact O-CB 3.3Å; R1112-S1116 PolarHBondContact O-N 3.19Å |
| 1113 | A | 60.7 | Low | 62 | Low | 56 Ų | 56 | 99.2 Ų | 99.2 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.8 | -34.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1109 S1116 K1117 | E1109-A1113 WeakPolarHBondContact O-CB 3.28Å; E1109-A1113 PolarHBondContact O-N 2.98Å; A1113-S1116 PolarHBondContact O-N 2.73Å; A1113-K1117 WeakPolarHBondContact O-CB 3.39Å; A1113-K1117 PolarHBondContact O-N 3.46Å |
| 1114 | A | 61.4 | Low | 61.7 | Low | 47 Ų | 47 | 101.1 Ų | 101.1 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -85.3 | -20 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1110 A1118 | A1110-A1114 VanDerWaalsContact O-CA 3.28Å; A1110-A1114 WeakPolarHBondContact O-CA 3.34Å; A1110-A1114 WeakPolarHBondContact O-CB 3.38Å; A1110-A1114 PolarHBondContact O-N 3.5Å; A1114-A1118 VanDerWaalsContact O-CA 3.3Å; A1114-A1118 WeakPolarHBondContact O-CA 3.38Å; A1114-A1118 WeakPolarHBondContact O-CB 3.12Å; A1114-A1118 PolarHBondContact O-N 3.19Å |
| 1115 | R | 56.9 | Low | 61.3 | Low | 163 Ų | 163 | 101.1 Ų | 101.1 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -73.2 | -42.2 | 158.9 | -76.6 | 171.3 | -171.9 | -152.3 | 5.6 | 109.8 | E1111 K1117 A1118 E1119 | E1111-R1115 HydrophobicContact CG-CG 4.13Å; E1111-R1115 WeakPolarHBondContact O-CA 3.28Å; E1111-R1115 WeakPolarHBondContact O-CB 3.17Å; E1111-R1115 WeakPolarHBondContact O-CG 3.18Å; E1111-R1115 PolarHBondContact O-N 2.85Å; E1111-R1115 IonicContact OE1-CZ 3.95Å; E1111-R1115 IonicContact OE1-NE 2.77Å; E1111-R1115 PolarHBondContact OE1-NE 2.98Å; E1111-R1115 IonicContact OE1-NH2 2.93Å; E1111-R1115 PolarHBondContact OE1-NH2 2.71Å; R1115-K1117 VanDerWaalsContact C-N 3.27Å; R1115-K1117 PolarHBondContact O-N 3.29Å; R1115-A1118 CarbonylContact O-C 3.54Å; R1115-A1118 PolarHBondContact O-N 2.65Å; R1115-E1119 WeakPolarHBondContact O-CA 3.47Å; R1115-E1119 WeakPolarHBondContact O-CB 3.07Å; R1115-E1119 PolarHBondContact O-N 2.75Å |
| 1116 | S | 61.6 | Low | 61.3 | Low | 70 Ų | 70 | 100.3 Ų | 100.3 | 49% | 0.49 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -36.9 | 173.6 | -167.1 | 0 | 0 | 0 | 0 | 112.4 | R1112 A1113 K1120 | R1112-S1116 VanDerWaalsContact O-CB 3.29Å; R1112-S1116 WeakPolarHBondContact O-CB 3.3Å; R1112-S1116 PolarHBondContact O-N 3.19Å; A1113-S1116 PolarHBondContact O-N 2.73Å; S1116-K1120 WeakPolarHBondContact O-CG 3.33Å; S1116-K1120 PolarHBondContact O-N 3.3Å |
| 1117 | K | 63.8 | Low | 61.2 | Low | 162 Ų | 162 | 96.9 Ų | 96.9 | 70% | 0.704 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -76.4 | -38.2 | 170.5 | -83.2 | -178.3 | 173.8 | 176.3 | 0 | 113.7 | A1113 R1115 K1120 S1121 | A1113-K1117 WeakPolarHBondContact O-CB 3.39Å; A1113-K1117 PolarHBondContact O-N 3.46Å; R1115-K1117 VanDerWaalsContact C-N 3.27Å; R1115-K1117 PolarHBondContact O-N 3.29Å; K1117-K1120 CarbonylContact O-C 3.59Å; K1117-S1121 WeakPolarHBondContact O-CA 3.07Å; K1117-S1121 VanDerWaalsContact O-CB 3.27Å; K1117-S1121 WeakPolarHBondContact O-CB 3.3Å; K1117-S1121 PolarHBondContact O-N 3.45Å |
| 1118 | A | 56.7 | Low | 60.7 | Low | 49 Ų | 49 | 98 Ų | 98 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -86.4 | -7.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1114 R1115 S1121 R1122 | A1114-A1118 VanDerWaalsContact O-CA 3.3Å; A1114-A1118 WeakPolarHBondContact O-CA 3.38Å; A1114-A1118 WeakPolarHBondContact O-CB 3.12Å; A1114-A1118 PolarHBondContact O-N 3.19Å; R1115-A1118 CarbonylContact O-C 3.54Å; R1115-A1118 PolarHBondContact O-N 2.65Å; A1118-S1121 WeakPolarHBondContact CA-OG 3.5Å; A1118-S1121 CarbonylContact O-C 3.5Å; A1118-R1122 WeakPolarHBondContact O-CA 3.25Å; A1118-R1122 WeakPolarHBondContact O-CB 3.37Å; A1118-R1122 PolarHBondContact O-N 2.77Å |
| 1119 | E | 57.2 | Low | 60.6 | Low | 106 Ų | 106 | 99.2 Ų | 99.2 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -87.1 | -38.5 | 167.1 | -167.2 | 131.8 | -113.8 | 0 | 0 | 109 | R1115 R1122 Q1123 | R1115-E1119 WeakPolarHBondContact O-CA 3.47Å; R1115-E1119 WeakPolarHBondContact O-CB 3.07Å; R1115-E1119 PolarHBondContact O-N 2.75Å; E1119-R1122 PolarHBondContact O-N 3.23Å; E1119-R1122 IonicContact OE1-CZ 3.11Å; E1119-R1122 IonicContact OE1-NH1 2.8Å; E1119-R1122 PolarHBondContact OE1-NH1 2.73Å; E1119-R1122 IonicContact OE1-NH2 3.44Å; E1119-Q1123 PolarHBondContact O-N 3.5Å |
| 1120 | K | 63.2 | Low | 60.5 | Low | 135 Ų | 135 | 100.9 Ų | 100.9 | 59% | 0.587 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 162.7 | -73.8 | 177.7 | 177.6 | 175.9 | 0 | 112.1 | S1116 K1117 R1122 Q1123 Q1124 | S1116-K1120 WeakPolarHBondContact O-CG 3.33Å; S1116-K1120 PolarHBondContact O-N 3.3Å; K1117-K1120 CarbonylContact O-C 3.59Å; K1120-R1122 VanDerWaalsContact C-N 3.32Å; K1120-Q1123 PolarHBondContact O-N 2.76Å; K1120-Q1124 PolarHBondContact O-N 3.38Å |
| 1121 | S | 56.3 | Low | 60.2 | Low | 42 Ų | 42 | 103.5 Ų | 103.5 | 29% | 0.294 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -81.5 | -9 | 174.8 | 99.3 | 0 | 0 | 0 | 0 | 112.7 | K1117 A1118 L1125 | K1117-S1121 WeakPolarHBondContact O-CA 3.07Å; K1117-S1121 VanDerWaalsContact O-CB 3.27Å; K1117-S1121 WeakPolarHBondContact O-CB 3.3Å; K1117-S1121 PolarHBondContact O-N 3.45Å; A1118-S1121 WeakPolarHBondContact CA-OG 3.5Å; A1118-S1121 CarbonylContact O-C 3.5Å; S1121-L1125 WeakPolarHBondContact O-CA 2.82Å; S1121-L1125 WeakPolarHBondContact O-CB 3.47Å; S1121-L1125 WeakPolarHBondContact O-CD1 3.43Å; S1121-L1125 WeakPolarHBondContact O-CG 3.4Å; S1121-L1125 PolarHBondContact O-N 3.05Å |
| 1122 | R | 59.1 | Low | 60.2 | Low | 117 Ų | 117 | 102 Ų | 102 | 44% | 0.442 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -80.9 | -34.9 | 163 | -162.3 | -177.9 | 82.5 | -119.2 | -2.3 | 110.1 | A1118 E1119 K1120 Q1124 L1125 E1126 | A1118-R1122 WeakPolarHBondContact O-CA 3.25Å; A1118-R1122 WeakPolarHBondContact O-CB 3.37Å; A1118-R1122 PolarHBondContact O-N 2.77Å; E1119-R1122 PolarHBondContact O-N 3.23Å; E1119-R1122 IonicContact OE1-CZ 3.11Å; E1119-R1122 IonicContact OE1-NH1 2.8Å; E1119-R1122 PolarHBondContact OE1-NH1 2.73Å; E1119-R1122 IonicContact OE1-NH2 3.44Å; K1120-R1122 VanDerWaalsContact C-N 3.32Å; R1122-Q1124 VanDerWaalsContact C-N 3.32Å; R1122-Q1124 PolarHBondContact O-N 2.77Å; R1122-L1125 CarbonylContact O-C 3.5Å; R1122-L1125 PolarHBondContact O-N 3.43Å; R1122-E1126 HydrophobicContact CG-CG 4.16Å; R1122-E1126 WeakPolarHBondContact CG-OE1 3.47Å; R1122-E1126 IonicContact CZ-OE1 3.7Å; R1122-E1126 IonicContact NE-OE1 2.66Å; R1122-E1126 PolarHBondContact NE-OE1 3.38Å; R1122-E1126 IonicContact NH2-OE1 3.87Å; R1122-E1126 WeakPolarHBondContact O-CA 3.33Å; R1122-E1126 WeakPolarHBondContact O-CB 3.46Å; R1122-E1126 WeakPolarHBondContact O-CG 3.22Å; R1122-E1126 PolarHBondContact O-N 3.14Å |
| 1123 | Q | 64.6 | Low | 60.2 | Low | 136 Ų | 136 | 99.2 Ų | 99.2 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.2 | -36.7 | 167.1 | -71.9 | -179.1 | -29.8 | 0 | 0 | 112.2 | E1119 K1120 S1127 | E1119-Q1123 PolarHBondContact O-N 3.5Å; K1120-Q1123 PolarHBondContact O-N 2.76Å; Q1123-S1127 PolarHBondContact O-N 2.72Å |
| 1124 | Q | 60.8 | Low | 60.1 | Low | 125 Ų | 125 | 102.7 Ų | 102.7 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.9 | -39.8 | 170.4 | -64 | -172.9 | -93.2 | 0 | 0 | 112.6 | K1120 R1122 S1127 E1128 | K1120-Q1124 PolarHBondContact O-N 3.38Å; R1122-Q1124 VanDerWaalsContact C-N 3.32Å; R1122-Q1124 PolarHBondContact O-N 2.77Å; Q1124-S1127 CarbonylContact O-C 3.6Å; Q1124-S1127 WeakPolarHBondContact O-CB 3.31Å; Q1124-S1127 PolarHBondContact O-N 3.21Å; Q1124-E1128 WeakPolarHBondContact O-CG 3.33Å; Q1124-E1128 PolarHBondContact O-N 3.48Å |
| 1125 | L | 53.8 | Low | 60 | Low | 95 Ų | 95 | 107.3 Ų | 107.3 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.8 | -22 | 177.3 | -77.5 | 165 | 0 | 0 | 0 | 113.5 | S1121 R1122 E1128 L1129 | S1121-L1125 WeakPolarHBondContact O-CA 2.82Å; S1121-L1125 WeakPolarHBondContact O-CB 3.47Å; S1121-L1125 WeakPolarHBondContact O-CD1 3.43Å; S1121-L1125 WeakPolarHBondContact O-CG 3.4Å; S1121-L1125 PolarHBondContact O-N 3.05Å; R1122-L1125 CarbonylContact O-C 3.5Å; R1122-L1125 PolarHBondContact O-N 3.43Å; L1125-E1128 HydrophobicContact CD2-CB 4.44Å; L1125-L1129 WeakPolarHBondContact O-CA 3.46Å; L1125-L1129 WeakPolarHBondContact O-CB 3.39Å; L1125-L1129 PolarHBondContact O-N 3.05Å |
| 1126 | E | 62.3 | Low | 59.9 | Low | 93 Ų | 93 | 105.2 Ų | 105.2 | 44% | 0.435 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.8 | -40.2 | 169.1 | -78.6 | 159.4 | 177 | 0 | 0 | 108.7 | R1122 L1129 E1130 | R1122-E1126 HydrophobicContact CG-CG 4.16Å; R1122-E1126 WeakPolarHBondContact CG-OE1 3.47Å; R1122-E1126 IonicContact CZ-OE1 3.7Å; R1122-E1126 IonicContact NE-OE1 2.66Å; R1122-E1126 PolarHBondContact NE-OE1 3.38Å; R1122-E1126 IonicContact NH2-OE1 3.87Å; R1122-E1126 WeakPolarHBondContact O-CA 3.33Å; R1122-E1126 WeakPolarHBondContact O-CB 3.46Å; R1122-E1126 WeakPolarHBondContact O-CG 3.22Å; R1122-E1126 PolarHBondContact O-N 3.14Å; E1126-L1129 PolarHBondContact O-N 2.97Å; E1126-E1130 PolarHBondContact O-N 3.04Å |
| 1127 | S | 65.8 | Low | 59.7 | Low | 75 Ų | 75 | 110.2 Ų | 110.2 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69 | -35.8 | 170.8 | -174.3 | 0 | 0 | 0 | 0 | 113.6 | Q1123 Q1124 E1131 | Q1123-S1127 PolarHBondContact O-N 2.72Å; Q1124-S1127 CarbonylContact O-C 3.6Å; Q1124-S1127 WeakPolarHBondContact O-CB 3.31Å; Q1124-S1127 PolarHBondContact O-N 3.21Å; S1127-E1131 PolarHBondContact O-N 2.73Å |
| 1128 | E | 57.8 | Low | 59.4 | Low | 105 Ų | 105 | 111.1 Ų | 111.1 | 49% | 0.491 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -76.7 | -22.8 | 172.9 | -68.9 | 177.8 | -176.4 | 0 | 0 | 111.7 | Q1124 L1125 E1131 V1132 | Q1124-E1128 WeakPolarHBondContact O-CG 3.33Å; Q1124-E1128 PolarHBondContact O-N 3.48Å; L1125-E1128 HydrophobicContact CD2-CB 4.44Å; E1128-E1131 CarbonylContact O-C 3.34Å; E1128-E1131 PolarHBondContact O-N 2.99Å; E1128-V1132 VanDerWaalsContact O-CB 3.22Å; E1128-V1132 WeakPolarHBondContact O-CB 3.31Å; E1128-V1132 WeakPolarHBondContact O-CG2 3.45Å; E1128-V1132 PolarHBondContact O-N 2.81Å |
| 1129 | L | 55.8 | Low | 59.2 | Low | 109 Ų | 109 | 116.5 Ų | 116.5 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -72.4 | -36 | 174.4 | -167.2 | 71.9 | 0 | 0 | 0 | 110.9 | L1125 E1126 V1132 V1133 | L1125-L1129 WeakPolarHBondContact O-CA 3.46Å; L1125-L1129 WeakPolarHBondContact O-CB 3.39Å; L1125-L1129 PolarHBondContact O-N 3.05Å; E1126-L1129 PolarHBondContact O-N 2.97Å; L1129-V1132 PolarHBondContact O-N 2.97Å; L1129-V1133 WeakPolarHBondContact O-CB 3.26Å; L1129-V1133 VanDerWaalsContact O-CG2 3.26Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.27Å; L1129-V1133 PolarHBondContact O-N 3.16Å |
| 1130 | E | 64.2 | Low | 58.5 | Low | 149 Ų | 149 | 119.3 Ų | 119.3 | 70% | 0.696 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.3 | -47 | 167.8 | -69.2 | -173.8 | 141.3 | 0 | 0 | 110.8 | E1126 V1132 V1133 D1134 | E1126-E1130 PolarHBondContact O-N 3.04Å; E1130-V1132 VanDerWaalsContact C-N 3.26Å; E1130-V1132 PolarHBondContact O-N 2.8Å; E1130-V1133 PolarHBondContact O-N 3.47Å; E1130-D1134 PolarHBondContact O-N 2.97Å; E1130-D1134 VanDerWaalsContact O-N 3.16Å |
| 1131 | E | 64.4 | Low | 58 | Low | 104 Ų | 104 | 116.6 Ų | 116.6 | 49% | 0.486 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.3 | -26.2 | 173.1 | -97.4 | -150.5 | -178.3 | 0 | 0 | 114.6 | S1127 E1128 R1135 | S1127-E1131 PolarHBondContact O-N 2.73Å; E1128-E1131 CarbonylContact O-C 3.34Å; E1128-E1131 PolarHBondContact O-N 2.99Å; E1131-R1135 WeakPolarHBondContact O-CG 3.12Å; E1131-R1135 PolarHBondContact O-N 3.37Å; E1131-R1135 IonicContact OE1-NH2 3.87Å; E1131-R1135 IonicContact OE2-CZ 2.95Å; E1131-R1135 IonicContact OE2-NH1 3.62Å; E1131-R1135 PolarHBondContact OE2-NH1 2.8Å; E1131-R1135 IonicContact OE2-NH2 3.16Å; E1131-R1135 PolarHBondContact OE2-NH2 2.74Å |
| 1132 | V | 57.1 | Low | 57.5 | Low | 65 Ų | 65 | 118.7 Ų | 118.7 | 39% | 0.394 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -90.5 | -28.4 | -179 | 165 | 0 | 0 | 0 | 0 | 112 | E1128 L1129 E1130 R1135 L1136 | E1128-V1132 VanDerWaalsContact O-CB 3.22Å; E1128-V1132 WeakPolarHBondContact O-CB 3.31Å; E1128-V1132 WeakPolarHBondContact O-CG2 3.45Å; E1128-V1132 PolarHBondContact O-N 2.81Å; L1129-V1132 PolarHBondContact O-N 2.97Å; E1130-V1132 VanDerWaalsContact C-N 3.26Å; E1130-V1132 PolarHBondContact O-N 2.8Å; V1132-R1135 PolarHBondContact O-N 2.86Å; V1132-L1136 HydrophobicContact CG1-CD1 4.14Å; V1132-L1136 WeakPolarHBondContact O-CB 3.36Å; V1132-L1136 PolarHBondContact O-N 2.74Å |
| 1133 | V | 61.3 | Low | 56.7 | Low | 81 Ų | 81 | 118 Ų | 118 | 49% | 0.491 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.2 | -47.8 | 167.3 | 165.5 | 0 | 0 | 0 | 0 | 109.7 | L1129 E1130 R1135 L1136 | L1129-V1133 WeakPolarHBondContact O-CB 3.26Å; L1129-V1133 VanDerWaalsContact O-CG2 3.26Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.27Å; L1129-V1133 PolarHBondContact O-N 3.16Å; E1130-V1133 PolarHBondContact O-N 3.47Å; V1133-R1135 PolarHBondContact O-N 3.25Å; V1133-R1135 VanDerWaalsContact O-N 3.13Å; V1133-L1136 PolarHBondContact O-N 2.73Å |
| 1134 | D | 59.1 | Low | 56.2 | Low | 129 Ų | 129 | 116.4 Ų | 116.4 | 69% | 0.69 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -59.6 | -23.9 | 175.1 | -84.3 | 5.1 | 0 | 0 | 0 | 113.4 | E1130 | E1130-D1134 PolarHBondContact O-N 2.97Å; E1130-D1134 VanDerWaalsContact O-N 3.16Å |
| 1135 | R | 58.6 | Low | 55.9 | Low | 144 Ų | 144 | 114.8 Ų | 114.8 | 54% | 0.543 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -94.1 | -16.6 | 175.3 | -71.1 | 176.7 | -172.9 | 132.7 | 13.4 | 114.4 | E1131 V1132 V1133 E1138 | E1131-R1135 WeakPolarHBondContact O-CG 3.12Å; E1131-R1135 PolarHBondContact O-N 3.37Å; E1131-R1135 IonicContact OE1-NH2 3.87Å; E1131-R1135 IonicContact OE2-CZ 2.95Å; E1131-R1135 IonicContact OE2-NH1 3.62Å; E1131-R1135 PolarHBondContact OE2-NH1 2.8Å; E1131-R1135 IonicContact OE2-NH2 3.16Å; E1131-R1135 PolarHBondContact OE2-NH2 2.74Å; V1132-R1135 PolarHBondContact O-N 2.86Å; V1133-R1135 PolarHBondContact O-N 3.25Å; V1133-R1135 VanDerWaalsContact O-N 3.13Å; R1135-E1138 PolarHBondContact O-N 3.41Å |
| 1136 | L | 53.8 | Low | 55.5 | Low | 118 Ų | 118 | 117.2 Ų | 117.2 | 62% | 0.618 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -76.8 | -28.9 | 179.2 | -105 | 158.5 | 0 | 0 | 0 | 112.1 | V1132 V1133 E1138 | V1132-L1136 HydrophobicContact CG1-CD1 4.14Å; V1132-L1136 WeakPolarHBondContact O-CB 3.36Å; V1132-L1136 PolarHBondContact O-N 2.74Å; V1133-L1136 PolarHBondContact O-N 2.73Å; L1136-E1138 PolarHBondContact O-N 2.75Å |
| 1137 | E | 58.3 | Low | 55.3 | Low | 176 Ų | 176 | 116.2 Ų | 116.2 | 82% | 0.822 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -16.8 | 173.1 | -60.9 | -157.9 | 150.8 | 0 | 0 | 113.4 | ||
| 1138 | E | 56.5 | Low | 55.1 | Low | 180 Ų | 180 | 117.9 Ų | 117.9 | 84% | 0.841 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -12 | 179.6 | -87.9 | -158.7 | 138.4 | 0 | 0 | 115.4 | R1135 L1136 | R1135-E1138 PolarHBondContact O-N 3.41Å; L1136-E1138 PolarHBondContact O-N 2.75Å |
| 1139 | Q | 52.7 | Low | 54.9 | Low | 163 Ų | 163 | 119.5 Ų | 119.5 | 76% | 0.762 | 67% | 0.668 | S | S | * | * | trans | -108.9 | -0.3 | -166 | -126.9 | -177.6 | 45.4 | 0 | 0 | 117.4 | G1141 | Q1139-G1141 PolarHBondContact O-N 3.01Š| ||
| 1140 | D | 42.7 | Very low | 54.9 | Low | 165 Ų | 165 | 118.4 Ų | 118.4 | 88% | 0.882 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 44.6 | -168.7 | -162.7 | 31 | 0 | 0 | 0 | 115.7 | ||
| 1141 | G | 53.9 | Low | 54.8 | Low | 78 Ų | 78 | 117 Ų | 117 | 80% | 0.804 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.3 | -12.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 119 | Q1139 | Q1139-G1141 PolarHBondContact O-N 3.01Š|
| 1142 | A | 44.1 | Very low | 54.7 | Low | 86 Ų | 86 | 120 Ų | 120 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -99.7 | -47.3 | -153.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 1143 | T | 44.1 | Very low | 54.7 | Low | 103 Ų | 103 | 126.2 Ų | 126.2 | 63% | 0.632 | 69% | 0.686 | S | S | * | * | trans | -124.9 | 30.8 | -147.2 | -24.3 | 0 | 0 | 0 | 0 | 117.3 | A1145 | T1143-A1145 PolarHBondContact O-N 2.69Š| ||
| 1144 | A | 53.5 | Low | 54.3 | Low | 101 Ų | 101 | 128.3 Ų | 128.3 | 84% | 0.835 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -58.7 | -14.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1145 | A | 54.6 | Low | 54.5 | Low | 92 Ų | 92 | 125 Ų | 125 | 76% | 0.76 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -76 | -18.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1143 S1147 | T1143-A1145 PolarHBondContact O-N 2.69Å; A1145-S1147 VanDerWaalsContact C-N 3.33Å; A1145-S1147 PolarHBondContact O-N 2.79Å |
| 1146 | Q | 45 | Very low | 54.6 | Low | 145 Ų | 145 | 124.9 Ų | 124.9 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -82.4 | -10.2 | -173.6 | -160.6 | 160.6 | -9 | 0 | 0 | 113.8 | D1148 | Q1146-D1148 VanDerWaalsContact C-N 3.32Å; Q1146-D1148 PolarHBondContact O-N 2.98Å |
| 1147 | S | 58.4 | Low | 54.6 | Low | 73 Ų | 73 | 124.8 Ų | 124.8 | 51% | 0.51 | 69% | 0.686 | S | S | . | * | G | 310 helix | trans | -60.8 | -29.6 | -176.7 | -175.1 | 0 | 0 | 0 | 0 | 115.2 | A1145 K1151 | A1145-S1147 VanDerWaalsContact C-N 3.33Å; A1145-S1147 PolarHBondContact O-N 2.79Å; S1147-K1151 VanDerWaalsContact O-CE 3.3Å; S1147-K1151 WeakPolarHBondContact O-CE 3.45Å |
| 1148 | D | 61.2 | Low | 54.7 | Low | 110 Ų | 110 | 123.2 Ų | 123.2 | 59% | 0.588 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -100.7 | -9.6 | -170.1 | -79 | -26.9 | 0 | 0 | 0 | 115.7 | Q1146 K1151 | Q1146-D1148 VanDerWaalsContact C-N 3.32Å; Q1146-D1148 PolarHBondContact O-N 2.98Å; D1148-K1151 IonicContact OD1-NZ 2.62Å; D1148-K1151 PolarHBondContact OD1-NZ 2.96Å |
| 1149 | L | 54.1 | Low | 55.2 | Low | 138 Ų | 138 | 121.8 Ų | 121.8 | 72% | 0.723 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -38.2 | 179.5 | -152.3 | 78.6 | 0 | 0 | 0 | 112.1 | K1151 K1152 | L1149-K1151 PolarHBondContact O-N 2.79Å; L1149-K1152 PolarHBondContact O-N 2.78Å |
| 1150 | T | 54.5 | Low | 55.4 | Low | 87 Ų | 87 | 119.8 Ų | 119.8 | 53% | 0.534 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -63.2 | -41.6 | -175.9 | -43.1 | 0 | 0 | 0 | 0 | 112 | K1152 R1153 | T1150-K1152 PolarHBondContact O-N 2.87Å; T1150-R1153 PolarHBondContact O-N 3.26Å; T1150-R1153 VanDerWaalsContact O-N 3.07Å |
| 1151 | K | 62.6 | Low | 55.9 | Low | 120 Ų | 120 | 118.9 Ų | 118.9 | 52% | 0.522 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -56.9 | -20.2 | -179 | -62.7 | 171.3 | -167.3 | 156.5 | 0 | 114.3 | S1147 D1148 L1149 | S1147-K1151 VanDerWaalsContact O-CE 3.3Å; S1147-K1151 WeakPolarHBondContact O-CE 3.45Å; D1148-K1151 IonicContact OD1-NZ 2.62Å; D1148-K1151 PolarHBondContact OD1-NZ 2.96Å; L1149-K1151 PolarHBondContact O-N 2.79Å |
| 1152 | K | 63.4 | Low | 56.4 | Low | 165 Ų | 165 | 123.7 Ų | 123.7 | 72% | 0.717 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -87.9 | -27.9 | 178 | -79.4 | -176.8 | 175.9 | 175.7 | 0 | 114.4 | L1149 T1150 | L1149-K1152 PolarHBondContact O-N 2.78Å; T1150-K1152 PolarHBondContact O-N 2.87Å |
| 1153 | R | 56.9 | Low | 57.3 | Low | 197 Ų | 197 | 124.3 Ų | 124.3 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.4 | -33.5 | -179.4 | -83.3 | -175.4 | 166.4 | 174.5 | -3.4 | 113.1 | T1150 A1155 E1156 L1157 | T1150-R1153 PolarHBondContact O-N 3.26Å; T1150-R1153 VanDerWaalsContact O-N 3.07Å; R1153-A1155 VanDerWaalsContact C-N 3.32Å; R1153-A1155 PolarHBondContact O-N 2.8Å; R1153-E1156 PolarHBondContact O-N 2.8Å; R1153-L1157 PolarHBondContact O-N 2.69Å |
| 1154 | E | 53 | Low | 57.8 | Low | 124 Ų | 124 | 124.8 Ų | 124.8 | 58% | 0.579 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.7 | -30.5 | 179.7 | -62.6 | -179.1 | 131.7 | 0 | 0 | 112.4 | L1157 M1158 | E1154-L1157 PolarHBondContact O-N 2.74Å; E1154-M1158 PolarHBondContact O-N 2.99Å |
| 1155 | A | 61.9 | Low | 58.2 | Low | 61 Ų | 61 | 125.5 Ų | 125.5 | 50% | 0.504 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.8 | -35.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1153 | R1153-A1155 VanDerWaalsContact C-N 3.32Å; R1153-A1155 PolarHBondContact O-N 2.8Å |
| 1156 | E | 61.9 | Low | 58.8 | Low | 141 Ų | 141 | 126.6 Ų | 126.6 | 66% | 0.659 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -77.4 | -35.8 | 176.4 | -65.1 | -174.6 | 145.6 | 0 | 0 | 111.7 | R1153 M1158 K1159 L1160 | R1153-E1156 PolarHBondContact O-N 2.8Å; E1156-M1158 VanDerWaalsContact C-N 3.33Å; E1156-M1158 PolarHBondContact O-N 3.34Å; E1156-K1159 WeakPolarHBondContact O-CB 3.15Å; E1156-K1159 PolarHBondContact O-N 3.5Å; E1156-L1160 PolarHBondContact O-N 3.41Å |
| 1157 | L | 52.2 | Low | 59.5 | Low | 115 Ų | 115 | 123.7 Ų | 123.7 | 60% | 0.602 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60.5 | -38.2 | 172.1 | -94.9 | 162.9 | 0 | 0 | 0 | 112.9 | R1153 E1154 K1159 K1161 | R1153-L1157 PolarHBondContact O-N 2.69Å; E1154-L1157 PolarHBondContact O-N 2.74Å; L1157-K1159 PolarHBondContact O-N 2.9Å; L1157-K1161 PolarHBondContact O-N 3.29Å |
| 1158 | M | 61.4 | Low | 59.2 | Low | 144 Ų | 144 | 127.2 Ų | 127.2 | 71% | 0.709 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.4 | -19.4 | 172.9 | -86.4 | -152.7 | -76 | 0 | 0 | 114.1 | E1154 E1156 | E1154-M1158 PolarHBondContact O-N 2.99Å; E1156-M1158 VanDerWaalsContact C-N 3.33Å; E1156-M1158 PolarHBondContact O-N 3.34Å |
| 1159 | K | 66.5 | Low | 59.5 | Low | 150 Ų | 150 | 127.1 Ų | 127.1 | 65% | 0.652 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -84.6 | -48.1 | 175.7 | -159.5 | 177.4 | -178.1 | -173.8 | 0 | 111.2 | E1156 L1157 K1161 R1162 D1163 | E1156-K1159 WeakPolarHBondContact O-CB 3.15Å; E1156-K1159 PolarHBondContact O-N 3.5Å; L1157-K1159 PolarHBondContact O-N 2.9Å; K1159-K1161 VanDerWaalsContact C-N 3.33Å; K1159-K1161 PolarHBondContact O-N 2.96Å; K1159-R1162 WeakPolarHBondContact O-CB 3.31Å; K1159-R1162 PolarHBondContact O-N 3.04Å; K1159-D1163 PolarHBondContact O-N 3.22Å |
| 1160 | L | 56.7 | Low | 59.8 | Low | 121 Ų | 121 | 128.2 Ų | 128.2 | 63% | 0.634 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.7 | -29.5 | -179.7 | -97.2 | 160 | 0 | 0 | 0 | 114.2 | E1156 R1162 L1164 | E1156-L1160 PolarHBondContact O-N 3.41Å; L1160-R1162 VanDerWaalsContact C-N 3.33Å; L1160-L1164 WeakPolarHBondContact O-CB 3.25Å |
| 1161 | K | 53.5 | Low | 59.9 | Low | 145 Ų | 145 | 128.4 Ų | 128.4 | 63% | 0.63 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.4 | -33.3 | 170.9 | -90.7 | -170.3 | 171.9 | -175.5 | 0 | 113.2 | L1157 K1159 L1164 E1165 | L1157-K1161 PolarHBondContact O-N 3.29Å; K1159-K1161 VanDerWaalsContact C-N 3.33Å; K1159-K1161 PolarHBondContact O-N 2.96Å; K1161-L1164 CarbonylContact O-C 3.26Å; K1161-L1164 WeakPolarHBondContact O-CB 3.35Å; K1161-L1164 PolarHBondContact O-N 2.9Å; K1161-E1165 WeakPolarHBondContact O-CG 3.47Å; K1161-E1165 PolarHBondContact O-N 3.41Å |
| 1162 | R | 64.7 | Low | 59.7 | Low | 179 Ų | 179 | 126.5 Ų | 126.5 | 68% | 0.675 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74 | -42.7 | -172.6 | -144.9 | 173.2 | -169.1 | 131.6 | 2.6 | 112.3 | K1159 L1160 L1164 E1165 D1166 | K1159-R1162 WeakPolarHBondContact O-CB 3.31Å; K1159-R1162 PolarHBondContact O-N 3.04Å; L1160-R1162 VanDerWaalsContact C-N 3.33Å; R1162-L1164 PolarHBondContact O-N 2.87Å; R1162-E1165 WeakPolarHBondContact O-CB 3.26Å; R1162-E1165 PolarHBondContact O-N 2.8Å; R1162-D1166 PolarHBondContact O-N 2.82Å |
| 1163 | D | 62.3 | Low | 59.6 | Low | 99 Ų | 99 | 125.7 Ų | 125.7 | 53% | 0.529 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.4 | -26.6 | 172.9 | -59.2 | -22.3 | 0 | 0 | 0 | 111.6 | K1159 T1167 | K1159-D1163 PolarHBondContact O-N 3.22Å; D1163-T1167 PolarHBondContact O-N 2.94Å; D1163-T1167 PolarHBondContact O-OG1 2.95Å |
| 1164 | L | 54.7 | Low | 59.4 | Low | 113 Ų | 113 | 119.6 Ų | 119.6 | 59% | 0.592 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -81.6 | -18 | 175.4 | -154.9 | 147.5 | 0 | 0 | 0 | 112.5 | L1160 K1161 R1162 R1168 | L1160-L1164 WeakPolarHBondContact O-CB 3.25Å; K1161-L1164 CarbonylContact O-C 3.26Å; K1161-L1164 WeakPolarHBondContact O-CB 3.35Å; K1161-L1164 PolarHBondContact O-N 2.9Å; R1162-L1164 PolarHBondContact O-N 2.87Å; L1164-R1168 WeakPolarHBondContact O-CB 3.48Å; L1164-R1168 PolarHBondContact O-N 3.42Å |
| 1165 | E | 63 | Low | 59.6 | Low | 117 Ų | 117 | 116 Ų | 116 | 55% | 0.547 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -80 | -46 | 171.5 | -75.7 | 167.1 | 154 | 0 | 0 | 111.3 | K1161 R1162 R1168 L1169 | K1161-E1165 WeakPolarHBondContact O-CG 3.47Å; K1161-E1165 PolarHBondContact O-N 3.41Å; R1162-E1165 WeakPolarHBondContact O-CB 3.26Å; R1162-E1165 PolarHBondContact O-N 2.8Å; E1165-R1168 WeakPolarHBondContact O-CB 3.48Å; E1165-R1168 PolarHBondContact O-N 2.98Å; E1165-L1169 PolarHBondContact O-N 3.33Å |
| 1166 | D | 66.5 | Low | 59.6 | Low | 114 Ų | 114 | 115.8 Ų | 115.8 | 61% | 0.61 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.1 | -42 | 179.9 | -81.4 | -22 | 0 | 0 | 0 | 113 | R1162 R1168 L1169 Q1170 | R1162-D1166 PolarHBondContact O-N 2.82Å; D1166-R1168 VanDerWaalsContact C-N 3.3Å; D1166-R1168 PolarHBondContact O-N 3.42Å; D1166-L1169 PolarHBondContact O-N 3.04Å; D1166-Q1170 PolarHBondContact O-N 3.2Å |
| 1167 | T | 59.2 | Low | 59.4 | Low | 85 Ų | 85 | 114.2 Ų | 114.2 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72 | -25.4 | 176.1 | 51 | 0 | 0 | 0 | 0 | 112.9 | D1163 N1171 | D1163-T1167 PolarHBondContact O-N 2.94Å; D1163-T1167 PolarHBondContact O-OG1 2.95Å; T1167-N1171 PolarHBondContact O-N 3.49Å; T1167-N1171 PolarHBondContact O-ND2 2.93Å |
| 1168 | R | 53.8 | Low | 59.5 | Low | 147 Ų | 147 | 114 Ų | 114 | 56% | 0.555 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71.2 | -39.4 | 169.5 | 172.9 | 175.8 | 176 | 169.4 | 0.5 | 111.4 | L1164 E1165 D1166 N1171 E1172 | L1164-R1168 WeakPolarHBondContact O-CB 3.48Å; L1164-R1168 PolarHBondContact O-N 3.42Å; E1165-R1168 WeakPolarHBondContact O-CB 3.48Å; E1165-R1168 PolarHBondContact O-N 2.98Å; D1166-R1168 VanDerWaalsContact C-N 3.3Å; D1166-R1168 PolarHBondContact O-N 3.42Å; R1168-N1171 PolarHBondContact O-N 2.9Å; R1168-E1172 HydrophobicContact CG-CG 4.12Å; R1168-E1172 IonicContact CZ-OE1 2.76Å; R1168-E1172 IonicContact NE-OE1 3.44Å; R1168-E1172 PolarHBondContact NE-OE1 2.74Å; R1168-E1172 IonicContact NE-OE2 3.17Å; R1168-E1172 IonicContact NH2-OE1 2.68Å; R1168-E1172 PolarHBondContact NH2-OE1 2.88Å; R1168-E1172 VanDerWaalsContact NH2-OE1 3.08Å; R1168-E1172 WeakPolarHBondContact O-CB 3.34Å; R1168-E1172 WeakPolarHBondContact O-CG 3.48Å; R1168-E1172 PolarHBondContact O-N 3.39Å |
| 1169 | L | 66.4 | Low | 59.3 | Low | 107 Ų | 107 | 114.5 Ų | 114.5 | 56% | 0.56 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.4 | -43.5 | -178.1 | -161.6 | 77.9 | 0 | 0 | 0 | 113.4 | E1165 D1166 E1172 Q1173 | E1165-L1169 PolarHBondContact O-N 3.33Å; D1166-L1169 PolarHBondContact O-N 3.04Å; L1169-E1172 PolarHBondContact O-N 3.36Å; L1169-Q1173 PolarHBondContact O-N 3.04Å |
| 1170 | Q | 60.8 | Low | 59.2 | Low | 161 Ų | 161 | 114 Ų | 114 | 75% | 0.752 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.9 | -40.4 | 175.7 | -79.4 | -166.1 | -11.1 | 0 | 0 | 112.4 | D1166 E1172 Q1173 | D1166-Q1170 PolarHBondContact O-N 3.2Å; Q1170-E1172 VanDerWaalsContact C-N 3.34Å; Q1170-Q1173 PolarHBondContact O-N 3.38Å |
| 1171 | N | 57.3 | Low | 59.2 | Low | 91 Ų | 91 | 116.6 Ų | 116.6 | 49% | 0.487 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.8 | -49.5 | 170.6 | -87.8 | -69 | 0 | 0 | 0 | 109.8 | T1167 R1168 Q1173 A1174 I1175 | T1167-N1171 PolarHBondContact O-N 3.49Å; T1167-N1171 PolarHBondContact O-ND2 2.93Å; R1168-N1171 PolarHBondContact O-N 2.9Å; N1171-Q1173 PolarHBondContact O-N 2.78Å; N1171-A1174 PolarHBondContact O-N 3.29Å; N1171-I1175 HydrophobicContact CB-CD1 3.9Å; N1171-I1175 HydrophobicContact CB-CG1 4.38Å; N1171-I1175 WeakPolarHBondContact O-CA 3.28Å; N1171-I1175 WeakPolarHBondContact O-CB 3.48Å; N1171-I1175 WeakPolarHBondContact O-CG1 3.26Å; N1171-I1175 PolarHBondContact O-N 3.24Å |
| 1172 | E | 57.9 | Low | 59.5 | Low | 80 Ų | 80 | 114.4 Ų | 114.4 | 37% | 0.374 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -56.7 | -22.4 | -178.7 | -81.9 | 175.2 | 166.9 | 0 | 0 | 113.9 | R1168 L1169 Q1170 A1176 | R1168-E1172 HydrophobicContact CG-CG 4.12Å; R1168-E1172 IonicContact CZ-OE1 2.76Å; R1168-E1172 IonicContact NE-OE1 3.44Å; R1168-E1172 PolarHBondContact NE-OE1 2.74Å; R1168-E1172 IonicContact NE-OE2 3.17Å; R1168-E1172 IonicContact NH2-OE1 2.68Å; R1168-E1172 PolarHBondContact NH2-OE1 2.88Å; R1168-E1172 VanDerWaalsContact NH2-OE1 3.08Å; R1168-E1172 WeakPolarHBondContact O-CB 3.34Å; R1168-E1172 WeakPolarHBondContact O-CG 3.48Å; R1168-E1172 PolarHBondContact O-N 3.39Å; L1169-E1172 PolarHBondContact O-N 3.36Å; Q1170-E1172 VanDerWaalsContact C-N 3.34Å; E1172-A1176 WeakPolarHBondContact O-CA 3.49Å; E1172-A1176 WeakPolarHBondContact O-CB 3.42Å; E1172-A1176 PolarHBondContact O-N 3.16Å |
| 1173 | Q | 61 | Low | 59.3 | Low | 148 Ų | 148 | 107.4 Ų | 107.4 | 69% | 0.692 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -81.9 | -53.2 | 171.9 | -71.9 | -168.8 | -15.7 | 0 | 0 | 114.5 | L1169 Q1170 N1171 I1175 A1176 T1177 | L1169-Q1173 PolarHBondContact O-N 3.04Å; Q1170-Q1173 PolarHBondContact O-N 3.38Å; N1171-Q1173 PolarHBondContact O-N 2.78Å; Q1173-I1175 VanDerWaalsContact C-N 3.31Å; Q1173-A1176 PolarHBondContact O-N 3.02Å; Q1173-T1177 PolarHBondContact O-N 2.87Å; Q1173-T1177 VanDerWaalsContact O-N 3.07Å; Q1173-T1177 PolarHBondContact O-OG1 2.86Å |
| 1174 | A | 52.7 | Low | 59.4 | Low | 69 Ų | 69 | 107.2 Ų | 107.2 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.5 | -41.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | N1171 T1177 M1178 | N1171-A1174 PolarHBondContact O-N 3.29Å; A1174-T1177 PolarHBondContact O-N 2.91Å; A1174-M1178 PolarHBondContact O-N 2.67Å |
| 1175 | I | 57.8 | Low | 59.7 | Low | 48 Ų | 48 | 103.9 Ų | 103.9 | 25% | 0.246 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -68.9 | -40 | 172.7 | -58.7 | -172.8 | 0 | 0 | 0 | 110.6 | N1171 Q1173 T1177 M1178 R1179 | N1171-I1175 HydrophobicContact CB-CD1 3.9Å; N1171-I1175 HydrophobicContact CB-CG1 4.38Å; N1171-I1175 WeakPolarHBondContact O-CA 3.28Å; N1171-I1175 WeakPolarHBondContact O-CB 3.48Å; N1171-I1175 WeakPolarHBondContact O-CG1 3.26Å; N1171-I1175 PolarHBondContact O-N 3.24Å; Q1173-I1175 VanDerWaalsContact C-N 3.31Å; I1175-T1177 PolarHBondContact O-N 2.81Å; I1175-M1178 CarbonylContact O-C 3.47Å; I1175-M1178 PolarHBondContact O-N 3Å; I1175-R1179 HydrophobicContact CG2-CB 4.09Å; I1175-R1179 VanDerWaalsContact CG2-CD 3.42Å; I1175-R1179 HydrophobicContact CG2-CG 3.5Å; I1175-R1179 VanDerWaalsContact CG2-NE 3.27Å; I1175-R1179 VanDerWaalsContact O-CA 3.31Å; I1175-R1179 WeakPolarHBondContact O-CA 3.3Å; I1175-R1179 WeakPolarHBondContact O-CB 3.16Å; I1175-R1179 PolarHBondContact O-N 2.83Å |
| 1176 | A | 62.1 | Low | 59.8 | Low | 58 Ų | 58 | 102 Ų | 102 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -27.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1172 Q1173 K1180 | E1172-A1176 WeakPolarHBondContact O-CA 3.49Å; E1172-A1176 WeakPolarHBondContact O-CB 3.42Å; E1172-A1176 PolarHBondContact O-N 3.16Å; Q1173-A1176 PolarHBondContact O-N 3.02Å; A1176-K1180 WeakPolarHBondContact O-CB 3.37Å; A1176-K1180 PolarHBondContact O-N 3.4Å |
| 1177 | T | 57.9 | Low | 59.8 | Low | 108 Ų | 108 | 100.5 Ų | 100.5 | 66% | 0.663 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -77.2 | -42.9 | 177.2 | -48.2 | 0 | 0 | 0 | 0 | 111.5 | Q1173 A1174 I1175 | Q1173-T1177 PolarHBondContact O-N 2.87Å; Q1173-T1177 VanDerWaalsContact O-N 3.07Å; Q1173-T1177 PolarHBondContact O-OG1 2.86Å; A1174-T1177 PolarHBondContact O-N 2.91Å; I1175-T1177 PolarHBondContact O-N 2.81Å |
| 1178 | M | 52.9 | Low | 59.9 | Low | 111 Ų | 111 | 102.8 Ų | 102.8 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72 | -58.9 | 172.9 | -85.3 | -70.8 | -80.6 | 0 | 0 | 111.7 | A1174 I1175 K1180 K1181 Q1182 | A1174-M1178 PolarHBondContact O-N 2.67Å; I1175-M1178 CarbonylContact O-C 3.47Å; I1175-M1178 PolarHBondContact O-N 3Å; M1178-K1180 CarbonylContact O-C 3.49Å; M1178-K1180 PolarHBondContact O-N 2.85Å; M1178-K1181 PolarHBondContact O-N 3.22Å; M1178-Q1182 WeakPolarHBondContact O-CA 3.42Å; M1178-Q1182 WeakPolarHBondContact O-CB 3.42Å; M1178-Q1182 PolarHBondContact O-N 2.84Å |
| 1179 | R | 57.8 | Low | 60.5 | Low | 153 Ų | 153 | 100.9 Ų | 100.9 | 58% | 0.577 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.1 | -10.7 | 169.7 | -76.2 | -171.9 | -161.6 | 147.1 | 4.3 | 114.4 | I1175 S1183 | I1175-R1179 HydrophobicContact CG2-CB 4.09Å; I1175-R1179 VanDerWaalsContact CG2-CD 3.42Å; I1175-R1179 HydrophobicContact CG2-CG 3.5Å; I1175-R1179 VanDerWaalsContact CG2-NE 3.27Å; I1175-R1179 VanDerWaalsContact O-CA 3.31Å; I1175-R1179 WeakPolarHBondContact O-CA 3.3Å; I1175-R1179 WeakPolarHBondContact O-CB 3.16Å; I1175-R1179 PolarHBondContact O-N 2.83Å; R1179-S1183 WeakPolarHBondContact O-CA 3.35Å; R1179-S1183 WeakPolarHBondContact O-CB 3.34Å; R1179-S1183 PolarHBondContact O-N 3.04Å |
| 1180 | K | 64.1 | Low | 60.4 | Low | 141 Ų | 141 | 97.3 Ų | 97.3 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69.3 | -60.3 | 161.8 | -167.4 | 149.5 | -169.7 | 169.9 | 0 | 109.9 | A1176 M1178 D1184 | A1176-K1180 WeakPolarHBondContact O-CB 3.37Å; A1176-K1180 PolarHBondContact O-N 3.4Å; M1178-K1180 CarbonylContact O-C 3.49Å; M1178-K1180 PolarHBondContact O-N 2.85Å; K1180-D1184 WeakPolarHBondContact O-CA 3.47Å; K1180-D1184 WeakPolarHBondContact O-CB 3.49Å; K1180-D1184 PolarHBondContact O-N 2.81Å; K1180-D1184 VanDerWaalsContact O-OD2 3.07Å |
| 1181 | K | 57.6 | Low | 60.5 | Low | 175 Ų | 175 | 93.7 Ų | 93.7 | 76% | 0.761 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71.2 | -39 | 178.8 | -68.6 | -170.1 | 173.3 | -173 | 0 | 114.7 | M1178 A1185 | M1178-K1181 PolarHBondContact O-N 3.22Å; K1181-A1185 VanDerWaalsContact O-CB 3.24Å; K1181-A1185 WeakPolarHBondContact O-CB 3.43Å; K1181-A1185 PolarHBondContact O-N 2.96Å |
| 1182 | Q | 58.5 | Low | 60.7 | Low | 98 Ų | 98 | 93.6 Ų | 93.6 | 46% | 0.458 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -82.2 | -21.4 | 177.2 | -103.9 | -171.8 | -15.9 | 0 | 0 | 113.7 | M1178 I1186 | M1178-Q1182 WeakPolarHBondContact O-CA 3.42Å; M1178-Q1182 WeakPolarHBondContact O-CB 3.42Å; M1178-Q1182 PolarHBondContact O-N 2.84Å; Q1182-I1186 HydrophobicContact CB-CD1 4.12Å; Q1182-I1186 HydrophobicContact CG-CD1 3.91Å; Q1182-I1186 VanDerWaalsContact O-CA 3.25Å; Q1182-I1186 WeakPolarHBondContact O-CA 3.31Å; Q1182-I1186 WeakPolarHBondContact O-CB 3.42Å; Q1182-I1186 VanDerWaalsContact O-CD1 3.3Å; Q1182-I1186 WeakPolarHBondContact O-CD1 3.46Å; Q1182-I1186 WeakPolarHBondContact O-CG1 3.15Å; Q1182-I1186 PolarHBondContact O-N 3.5Å |
| 1183 | S | 62.1 | Low | 60.9 | Low | 32 Ų | 32 | 94.7 Ų | 94.7 | 22% | 0.224 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -101.2 | -6.1 | 167.8 | -129.6 | 0 | 0 | 0 | 0 | 111.7 | R1179 N1187 | R1179-S1183 WeakPolarHBondContact O-CA 3.35Å; R1179-S1183 WeakPolarHBondContact O-CB 3.34Å; R1179-S1183 PolarHBondContact O-N 3.04Å; S1183-N1187 WeakPolarHBondContact O-CA 3.41Å; S1183-N1187 WeakPolarHBondContact O-CB 3.43Å; S1183-N1187 PolarHBondContact O-N 2.92Å; S1183-N1187 PolarHBondContact O-ND2 3.49Å; S1183-N1187 PolarHBondContact O-OD1 2.9Å; S1183-N1187 PolarHBondContact OG-OD1 2.9Å |
| 1184 | D | 63.5 | Low | 61.1 | Low | 95 Ų | 95 | 90.8 Ų | 90.8 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.8 | -54.4 | 155.4 | -64.9 | -16.8 | 0 | 0 | 0 | 107.1 | K1180 I1186 N1187 E1188 | K1180-D1184 WeakPolarHBondContact O-CA 3.47Å; K1180-D1184 WeakPolarHBondContact O-CB 3.49Å; K1180-D1184 PolarHBondContact O-N 2.81Å; K1180-D1184 VanDerWaalsContact O-OD2 3.07Å; D1184-I1186 PolarHBondContact O-N 3.18Å; D1184-N1187 PolarHBondContact O-N 2.89Å; D1184-E1188 PolarHBondContact O-N 2.94Å |
| 1185 | A | 61.2 | Low | 61.5 | Low | 43 Ų | 43 | 92 Ų | 92 | 36% | 0.355 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -74.5 | -23.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | K1181 L1189 | K1181-A1185 VanDerWaalsContact O-CB 3.24Å; K1181-A1185 WeakPolarHBondContact O-CB 3.43Å; K1181-A1185 PolarHBondContact O-N 2.96Å; A1185-L1189 WeakPolarHBondContact O-CB 3.48Å; A1185-L1189 WeakPolarHBondContact O-CG 3.47Å; A1185-L1189 PolarHBondContact O-N 3.29Å |
| 1186 | I | 65.6 | Low | 61.5 | Low | 78 Ų | 78 | 90.9 Ų | 90.9 | 40% | 0.4 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -103.6 | 0.4 | 171.2 | -47.1 | 161.2 | 0 | 0 | 0 | 110.9 | Q1182 D1184 A1190 | Q1182-I1186 HydrophobicContact CB-CD1 4.12Å; Q1182-I1186 HydrophobicContact CG-CD1 3.91Å; Q1182-I1186 VanDerWaalsContact O-CA 3.25Å; Q1182-I1186 WeakPolarHBondContact O-CA 3.31Å; Q1182-I1186 WeakPolarHBondContact O-CB 3.42Å; Q1182-I1186 VanDerWaalsContact O-CD1 3.3Å; Q1182-I1186 WeakPolarHBondContact O-CD1 3.46Å; Q1182-I1186 WeakPolarHBondContact O-CG1 3.15Å; Q1182-I1186 PolarHBondContact O-N 3.5Å; D1184-I1186 PolarHBondContact O-N 3.18Å; I1186-A1190 HydrophobicContact CG2-CB 3.81Å; I1186-A1190 VanDerWaalsContact O-CA 3.24Å; I1186-A1190 WeakPolarHBondContact O-CA 3.26Å; I1186-A1190 WeakPolarHBondContact O-CB 3.23Å; I1186-A1190 PolarHBondContact O-N 3.4Å |
| 1187 | N | 65.3 | Low | 61.8 | Low | 82 Ų | 82 | 91.5 Ų | 91.5 | 44% | 0.439 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -85.2 | -30.9 | 150.7 | -63.4 | 3.5 | 0 | 0 | 0 | 109.6 | S1183 D1184 D1191 | S1183-N1187 WeakPolarHBondContact O-CA 3.41Å; S1183-N1187 WeakPolarHBondContact O-CB 3.43Å; S1183-N1187 PolarHBondContact O-N 2.92Å; S1183-N1187 PolarHBondContact O-ND2 3.49Å; S1183-N1187 PolarHBondContact O-OD1 2.9Å; S1183-N1187 PolarHBondContact OG-OD1 2.9Å; D1184-N1187 PolarHBondContact O-N 2.89Å; N1187-D1191 WeakPolarHBondContact O-CA 3.35Å; N1187-D1191 WeakPolarHBondContact O-CB 3.2Å; N1187-D1191 PolarHBondContact O-N 3.34Å |
| 1188 | E | 62.3 | Low | 62.2 | Low | 133 Ų | 133 | 91.9 Ų | 91.9 | 62% | 0.621 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64 | -55.4 | 164.1 | -84.1 | -168.6 | 111.5 | 0 | 0 | 110.9 | D1184 A1190 Q1192 | D1184-E1188 PolarHBondContact O-N 2.94Å; E1188-A1190 VanDerWaalsContact C-N 3.32Å; E1188-A1190 PolarHBondContact O-N 2.84Å; E1188-Q1192 VanDerWaalsContact O-CB 3.24Å; E1188-Q1192 WeakPolarHBondContact O-CB 3.33Å; E1188-Q1192 WeakPolarHBondContact O-CG 3.2Å; E1188-Q1192 PolarHBondContact O-N 2.82Å |
| 1189 | L | 66.2 | Low | 62.7 | Low | 107 Ų | 107 | 88.7 Ų | 88.7 | 56% | 0.56 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -74 | -16.3 | -179 | -72.2 | 170.1 | 0 | 0 | 0 | 114 | A1185 L1193 | A1185-L1189 WeakPolarHBondContact O-CB 3.48Å; A1185-L1189 WeakPolarHBondContact O-CG 3.47Å; A1185-L1189 PolarHBondContact O-N 3.29Å; L1189-L1193 WeakPolarHBondContact O-CA 3.17Å; L1189-L1193 WeakPolarHBondContact O-CB 3.3Å; L1189-L1193 PolarHBondContact O-N 3.08Å |
| 1190 | A | 63.5 | Low | 63.1 | Low | 32 Ų | 32 | 86.4 Ų | 86.4 | 26% | 0.264 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -110.8 | -1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I1186 E1188 L1193 D1194 | I1186-A1190 HydrophobicContact CG2-CB 3.81Å; I1186-A1190 VanDerWaalsContact O-CA 3.24Å; I1186-A1190 WeakPolarHBondContact O-CA 3.26Å; I1186-A1190 WeakPolarHBondContact O-CB 3.23Å; I1186-A1190 PolarHBondContact O-N 3.4Å; E1188-A1190 VanDerWaalsContact C-N 3.32Å; E1188-A1190 PolarHBondContact O-N 2.84Å; A1190-L1193 HydrophobicContact CB-CB 4.42Å; A1190-D1194 VanDerWaalsContact O-CA 3.24Å; A1190-D1194 WeakPolarHBondContact O-CA 3.49Å; A1190-D1194 WeakPolarHBondContact O-CB 3.32Å; A1190-D1194 PolarHBondContact O-N 3.21Å |
| 1191 | D | 64.2 | Low | 63.2 | Low | 85 Ų | 85 | 82.2 Ų | 82.2 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -82 | -28.9 | 150 | -73.4 | -47.5 | 0 | 0 | 0 | 108.9 | N1187 Q1195 | N1187-D1191 WeakPolarHBondContact O-CA 3.35Å; N1187-D1191 WeakPolarHBondContact O-CB 3.2Å; N1187-D1191 PolarHBondContact O-N 3.34Å; D1191-Q1195 WeakPolarHBondContact O-CA 3.33Å; D1191-Q1195 WeakPolarHBondContact O-CB 3.34Å; D1191-Q1195 WeakPolarHBondContact O-CG 3.25Å; D1191-Q1195 PolarHBondContact O-N 3.26Å |
| 1192 | Q | 59.7 | Low | 63.6 | Low | 89 Ų | 89 | 79.3 Ų | 79.3 | 42% | 0.416 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.5 | -51.1 | 163.8 | -70.3 | 174.5 | 25.6 | 0 | 0 | 111.1 | E1188 Q1195 A1196 R1769 | E1188-Q1192 VanDerWaalsContact O-CB 3.24Å; E1188-Q1192 WeakPolarHBondContact O-CB 3.33Å; E1188-Q1192 WeakPolarHBondContact O-CG 3.2Å; E1188-Q1192 PolarHBondContact O-N 2.82Å; Q1192-Q1195 PolarHBondContact O-N 2.82Å; Q1192-A1196 VanDerWaalsContact O-CB 3.24Å; Q1192-A1196 WeakPolarHBondContact O-CB 3.4Å; Q1192-A1196 PolarHBondContact O-N 3.33Å; Q1192-R1769 PolarHBondContact O-NH2 3.09Å |
| 1193 | L | 63.7 | Low | 63.8 | Low | 104 Ų | 104 | 77.1 Ų | 77.1 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71.5 | -26.5 | 178 | -164.3 | 91.8 | 0 | 0 | 0 | 112.8 | L1189 A1190 A1196 N1197 | L1189-L1193 WeakPolarHBondContact O-CA 3.17Å; L1189-L1193 WeakPolarHBondContact O-CB 3.3Å; L1189-L1193 PolarHBondContact O-N 3.08Å; A1190-L1193 HydrophobicContact CB-CB 4.42Å; L1193-A1196 CarbonylContact O-C 3.44Å; L1193-N1197 WeakPolarHBondContact O-CA 3.4Å; L1193-N1197 WeakPolarHBondContact O-CB 3.43Å; L1193-N1197 PolarHBondContact O-N 3.46Å; L1193-N1197 PolarHBondContact O-ND2 2.89Å; L1193-N1197 VanDerWaalsContact O-ND2 3.13Å |
| 1194 | D | 64.2 | Low | 64.2 | Low | 66 Ų | 66 | 79.8 Ų | 79.8 | 35% | 0.353 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -90.3 | -16.5 | 171 | -161.2 | 51 | 0 | 0 | 0 | 112.8 | A1190 K1198 | A1190-D1194 VanDerWaalsContact O-CA 3.24Å; A1190-D1194 WeakPolarHBondContact O-CA 3.49Å; A1190-D1194 WeakPolarHBondContact O-CB 3.32Å; A1190-D1194 PolarHBondContact O-N 3.21Å; D1194-K1198 WeakPolarHBondContact O-CA 3.5Å; D1194-K1198 WeakPolarHBondContact O-CB 3.18Å; D1194-K1198 WeakPolarHBondContact O-CD 3.42Å; D1194-K1198 WeakPolarHBondContact O-CG 3.29Å; D1194-K1198 PolarHBondContact O-N 2.89Å; D1194-K1198 WeakPolarHBondContact OD2-CE 3.12Å; D1194-K1198 IonicContact OD2-NZ 3.76Å; D1194-K1198 PolarHBondContact OD2-NZ 2.87Å |
| 1195 | Q | 62.3 | Low | 64.5 | Low | 94 Ų | 94 | 82 Ų | 82 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -72.1 | -36.4 | 156.9 | -79.4 | 176.3 | -1.9 | 0 | 0 | 110.4 | D1191 Q1192 A1199 | D1191-Q1195 WeakPolarHBondContact O-CA 3.33Å; D1191-Q1195 WeakPolarHBondContact O-CB 3.34Å; D1191-Q1195 WeakPolarHBondContact O-CG 3.25Å; D1191-Q1195 PolarHBondContact O-N 3.26Å; Q1192-Q1195 PolarHBondContact O-N 2.82Å; Q1195-A1199 WeakPolarHBondContact O-CA 3.34Å; Q1195-A1199 WeakPolarHBondContact O-CB 3.34Å; Q1195-A1199 PolarHBondContact O-N 3.27Å |
| 1196 | A | 57.3 | Low | 64.8 | Low | 24 Ų | 24 | 83.9 Ų | 83.9 | 20% | 0.198 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -72.8 | -36 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q1192 L1193 K1200 | Q1192-A1196 VanDerWaalsContact O-CB 3.24Å; Q1192-A1196 WeakPolarHBondContact O-CB 3.4Å; Q1192-A1196 PolarHBondContact O-N 3.33Å; L1193-A1196 CarbonylContact O-C 3.44Å; A1196-K1200 WeakPolarHBondContact O-CA 3.48Å; A1196-K1200 WeakPolarHBondContact O-CB 3.43Å; A1196-K1200 PolarHBondContact O-N 2.89Å |
| 1197 | N | 67.4 | Low | 65.1 | Low | 71 Ų | 71 | 89.2 Ų | 89.2 | 38% | 0.38 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -82.3 | -26.2 | 172.6 | -73.8 | -37.4 | 0 | 0 | 0 | 112.4 | L1193 A1201 | L1193-N1197 WeakPolarHBondContact O-CA 3.4Å; L1193-N1197 WeakPolarHBondContact O-CB 3.43Å; L1193-N1197 PolarHBondContact O-N 3.46Å; L1193-N1197 PolarHBondContact O-ND2 2.89Å; L1193-N1197 VanDerWaalsContact O-ND2 3.13Å; N1197-A1201 WeakPolarHBondContact O-CA 3.23Å; N1197-A1201 WeakPolarHBondContact O-CB 3.22Å; N1197-A1201 PolarHBondContact O-N 2.87Å |
| 1198 | K | 66.3 | Low | 65.4 | Low | 117 Ų | 117 | 88.6 Ų | 88.6 | 51% | 0.509 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.3 | -38.3 | 163.8 | -76.4 | 161.1 | 178.3 | 132.4 | 0 | 110 | D1194 K1202 | D1194-K1198 WeakPolarHBondContact O-CA 3.5Å; D1194-K1198 WeakPolarHBondContact O-CB 3.18Å; D1194-K1198 WeakPolarHBondContact O-CD 3.42Å; D1194-K1198 WeakPolarHBondContact O-CG 3.29Å; D1194-K1198 PolarHBondContact O-N 2.89Å; D1194-K1198 WeakPolarHBondContact OD2-CE 3.12Å; D1194-K1198 IonicContact OD2-NZ 3.76Å; D1194-K1198 PolarHBondContact OD2-NZ 2.87Å; K1198-K1202 WeakPolarHBondContact O-CA 3.29Å; K1198-K1202 WeakPolarHBondContact O-CB 3.39Å; K1198-K1202 PolarHBondContact O-N 2.84Å |
| 1199 | A | 63.1 | Low | 65.8 | Low | 43 Ų | 43 | 87 Ų | 87 | 36% | 0.355 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.8 | -39.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1195 K1202 A1203 | Q1195-A1199 WeakPolarHBondContact O-CA 3.34Å; Q1195-A1199 WeakPolarHBondContact O-CB 3.34Å; Q1195-A1199 PolarHBondContact O-N 3.27Å; A1199-K1202 PolarHBondContact O-N 3.1Å; A1199-A1203 VanDerWaalsContact O-CB 3.26Å; A1199-A1203 WeakPolarHBondContact O-CB 3.29Å; A1199-A1203 PolarHBondContact O-N 2.93Å |
| 1200 | K | 67.5 | Low | 65.9 | Low | 106 Ų | 106 | 88.6 Ų | 88.6 | 46% | 0.461 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71 | -43 | 173.9 | -177.8 | 179.6 | 179.1 | -79.6 | 0 | 111.8 | A1196 K1202 A1203 E1204 | A1196-K1200 WeakPolarHBondContact O-CA 3.48Å; A1196-K1200 WeakPolarHBondContact O-CB 3.43Å; A1196-K1200 PolarHBondContact O-N 2.89Å; K1200-K1202 VanDerWaalsContact C-N 3.29Å; K1200-A1203 CarbonylContact O-C 3.53Å; K1200-A1203 PolarHBondContact O-N 3.19Å; K1200-E1204 WeakPolarHBondContact CE-OE1 3.5Å; K1200-E1204 HydrophobicContact CG-CG 4.42Å; K1200-E1204 IonicContact NZ-OE1 3.99Å; K1200-E1204 PolarHBondContact NZ-OE1 3.17Å; K1200-E1204 IonicContact NZ-OE2 3.55Å; K1200-E1204 PolarHBondContact NZ-OE2 3.41Å; K1200-E1204 WeakPolarHBondContact O-CA 3.43Å; K1200-E1204 WeakPolarHBondContact O-CB 3.16Å; K1200-E1204 WeakPolarHBondContact O-CG 3.45Å; K1200-E1204 PolarHBondContact O-N 3.44Å |
| 1201 | A | 64.9 | Low | 66.4 | Low | 52 Ų | 52 | 92.5 Ų | 92.5 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -77.3 | -14.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1197 K1205 | N1197-A1201 WeakPolarHBondContact O-CA 3.23Å; N1197-A1201 WeakPolarHBondContact O-CB 3.22Å; N1197-A1201 PolarHBondContact O-N 2.87Å; A1201-K1205 WeakPolarHBondContact O-CA 3.47Å; A1201-K1205 WeakPolarHBondContact O-CB 3.14Å; A1201-K1205 WeakPolarHBondContact O-CG 3.46Å; A1201-K1205 PolarHBondContact O-N 3Å |
| 1202 | K | 66.5 | Low | 66.8 | Low | 114 Ų | 114 | 90.6 Ų | 90.6 | 50% | 0.496 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -79.3 | -42.8 | 164.2 | 177.9 | -177.9 | 168.9 | -167.8 | 0 | 110.3 | K1198 A1199 K1200 K1205 E1206 | K1198-K1202 WeakPolarHBondContact O-CA 3.29Å; K1198-K1202 WeakPolarHBondContact O-CB 3.39Å; K1198-K1202 PolarHBondContact O-N 2.84Å; A1199-K1202 PolarHBondContact O-N 3.1Å; K1200-K1202 VanDerWaalsContact C-N 3.29Å; K1202-K1205 CarbonylContact O-C 3.43Å; K1202-K1205 PolarHBondContact O-N 3.06Å; K1202-E1206 WeakPolarHBondContact CE-OE1 3.36Å; K1202-E1206 HydrophobicContact CG-CG 4.41Å; K1202-E1206 WeakPolarHBondContact CG-OE1 3.38Å; K1202-E1206 IonicContact NZ-OE1 2.81Å; K1202-E1206 WeakPolarHBondContact O-CB 3.26Å; K1202-E1206 WeakPolarHBondContact O-CG 3.31Å; K1202-E1206 PolarHBondContact O-N 2.85Å |
| 1203 | A | 63.8 | Low | 67.3 | Low | 53 Ų | 53 | 91 Ų | 91 | 44% | 0.438 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.3 | -30.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1199 K1200 R1207 | A1199-A1203 VanDerWaalsContact O-CB 3.26Å; A1199-A1203 WeakPolarHBondContact O-CB 3.29Å; A1199-A1203 PolarHBondContact O-N 2.93Å; K1200-A1203 CarbonylContact O-C 3.53Å; K1200-A1203 PolarHBondContact O-N 3.19Å; A1203-R1207 WeakPolarHBondContact O-CB 3.3Å; A1203-R1207 PolarHBondContact O-N 3.21Å |
| 1204 | E | 69.1 | Low | 67.5 | Low | 88 Ų | 88 | 91.2 Ų | 91.2 | 41% | 0.411 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -82.2 | -28.5 | 170.7 | -73.4 | 175.3 | 157.5 | 0 | 0 | 111.1 | K1200 S1208 | K1200-E1204 WeakPolarHBondContact CE-OE1 3.5Å; K1200-E1204 HydrophobicContact CG-CG 4.42Å; K1200-E1204 IonicContact NZ-OE1 3.99Å; K1200-E1204 PolarHBondContact NZ-OE1 3.17Å; K1200-E1204 IonicContact NZ-OE2 3.55Å; K1200-E1204 PolarHBondContact NZ-OE2 3.41Å; K1200-E1204 WeakPolarHBondContact O-CA 3.43Å; K1200-E1204 WeakPolarHBondContact O-CB 3.16Å; K1200-E1204 WeakPolarHBondContact O-CG 3.45Å; K1200-E1204 PolarHBondContact O-N 3.44Å; E1204-S1208 WeakPolarHBondContact O-CA 3.41Å; E1204-S1208 WeakPolarHBondContact O-CB 3.41Å; E1204-S1208 PolarHBondContact O-N 3.39Å; E1204-S1208 PolarHBondContact O-OG 2.99Å |
| 1205 | K | 69.8 | Low | 68 | Low | 142 Ų | 142 | 91.2 Ų | 91.2 | 62% | 0.617 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.4 | -64.1 | 161.8 | -99.5 | -165.4 | 166.5 | -166.9 | 0 | 109.3 | A1201 K1202 R1207 S1208 Q1209 | A1201-K1205 WeakPolarHBondContact O-CA 3.47Å; A1201-K1205 WeakPolarHBondContact O-CB 3.14Å; A1201-K1205 WeakPolarHBondContact O-CG 3.46Å; A1201-K1205 PolarHBondContact O-N 3Å; K1202-K1205 CarbonylContact O-C 3.43Å; K1202-K1205 PolarHBondContact O-N 3.06Å; K1205-R1207 PolarHBondContact O-N 2.93Å; K1205-R1207 VanDerWaalsContact O-N 3.15Å; K1205-S1208 WeakPolarHBondContact CA-OG 3.42Å; K1205-S1208 CarbonylContact O-C 3.51Å; K1205-S1208 VanDerWaalsContact O-C 3.3Å; K1205-S1208 WeakPolarHBondContact O-CA 3.43Å; K1205-S1208 PolarHBondContact O-N 3.35Å; K1205-S1208 PolarHBondContact O-OG 3.21Å; K1205-Q1209 WeakPolarHBondContact O-CA 3.43Å; K1205-Q1209 WeakPolarHBondContact O-CB 3.23Å; K1205-Q1209 PolarHBondContact O-N 3.02Å |
| 1206 | E | 68.5 | Low | 68.4 | Low | 81 Ų | 81 | 90.9 Ų | 90.9 | 38% | 0.379 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -51 | -37.6 | 178 | -72.6 | 164.7 | -179.7 | 0 | 0 | 111.8 | K1202 Q1209 F1210 | K1202-E1206 WeakPolarHBondContact CE-OE1 3.36Å; K1202-E1206 HydrophobicContact CG-CG 4.41Å; K1202-E1206 WeakPolarHBondContact CG-OE1 3.38Å; K1202-E1206 IonicContact NZ-OE1 2.81Å; K1202-E1206 WeakPolarHBondContact O-CB 3.26Å; K1202-E1206 WeakPolarHBondContact O-CG 3.31Å; K1202-E1206 PolarHBondContact O-N 2.85Å; E1206-Q1209 PolarHBondContact O-N 3.2Å; E1206-F1210 HydrophobicContact CB-CE2 4.42Å; E1206-F1210 VanDerWaalsContact O-CB 3.26Å; E1206-F1210 WeakPolarHBondContact O-CB 3.41Å; E1206-F1210 WeakPolarHBondContact O-CD2 3.5Å; E1206-F1210 VanDerWaalsContact O-CG 3.26Å; E1206-F1210 WeakPolarHBondContact O-CG 3.48Å; E1206-F1210 PolarHBondContact O-N 2.97Å |
| 1207 | R | 71.1 | Confident | 68.9 | Low | 190 Ų | 190 | 91.9 Ų | 91.9 | 72% | 0.717 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -73.5 | -38.7 | 171.4 | 179.4 | 179.2 | 163.8 | -151.6 | -5.8 | 113.5 | A1203 K1205 K1211 | A1203-R1207 WeakPolarHBondContact O-CB 3.3Å; A1203-R1207 PolarHBondContact O-N 3.21Å; K1205-R1207 PolarHBondContact O-N 2.93Å; K1205-R1207 VanDerWaalsContact O-N 3.15Å; R1207-K1211 WeakPolarHBondContact O-CB 3.39Å; R1207-K1211 PolarHBondContact O-N 2.89Å |
| 1208 | S | 72.1 | Confident | 69.2 | Low | 69 Ų | 69 | 94.6 Ų | 94.6 | 48% | 0.483 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.4 | -18.1 | 172.3 | 74.8 | 0 | 0 | 0 | 0 | 113 | E1204 K1205 K1211 A1212 | E1204-S1208 WeakPolarHBondContact O-CA 3.41Å; E1204-S1208 WeakPolarHBondContact O-CB 3.41Å; E1204-S1208 PolarHBondContact O-N 3.39Å; E1204-S1208 PolarHBondContact O-OG 2.99Å; K1205-S1208 WeakPolarHBondContact CA-OG 3.42Å; K1205-S1208 CarbonylContact O-C 3.51Å; K1205-S1208 VanDerWaalsContact O-C 3.3Å; K1205-S1208 WeakPolarHBondContact O-CA 3.43Å; K1205-S1208 PolarHBondContact O-N 3.35Å; K1205-S1208 PolarHBondContact O-OG 3.21Å; S1208-K1211 CarbonylContact O-C 3.47Å; S1208-A1212 WeakPolarHBondContact O-CA 3.44Å; S1208-A1212 WeakPolarHBondContact O-CB 3.44Å; S1208-A1212 PolarHBondContact O-N 3.28Å |
| 1209 | Q | 69.9 | Low | 69.5 | Low | 100 Ų | 100 | 93.4 Ų | 93.4 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -96.1 | -40.8 | -176.3 | -179.6 | 172.8 | -10.8 | 0 | 0 | 109.3 | K1205 E1206 K1211 A1212 E1213 | K1205-Q1209 WeakPolarHBondContact O-CA 3.43Å; K1205-Q1209 WeakPolarHBondContact O-CB 3.23Å; K1205-Q1209 PolarHBondContact O-N 3.02Å; E1206-Q1209 PolarHBondContact O-N 3.2Å; Q1209-K1211 PolarHBondContact O-N 3.47Å; Q1209-A1212 CarbonylContact O-C 3.51Å; Q1209-A1212 PolarHBondContact O-N 3.31Å; Q1209-E1213 WeakPolarHBondContact CG-OE1 3.48Å; Q1209-E1213 WeakPolarHBondContact O-CA 3.43Å; Q1209-E1213 WeakPolarHBondContact O-CB 3.47Å; Q1209-E1213 WeakPolarHBondContact O-CG 3.11Å; Q1209-E1213 PolarHBondContact O-N 2.87Å |
| 1210 | F | 68.2 | Low | 69.8 | Low | 140 Ų | 140 | 97.6 Ų | 97.6 | 61% | 0.614 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.6 | -31 | 159.6 | -69.9 | -47.9 | 0 | 0 | 0 | 111.6 | E1206 E1213 L1214 | E1206-F1210 HydrophobicContact CB-CE2 4.42Å; E1206-F1210 VanDerWaalsContact O-CB 3.26Å; E1206-F1210 WeakPolarHBondContact O-CB 3.41Å; E1206-F1210 WeakPolarHBondContact O-CD2 3.5Å; E1206-F1210 VanDerWaalsContact O-CG 3.26Å; E1206-F1210 WeakPolarHBondContact O-CG 3.48Å; E1206-F1210 PolarHBondContact O-N 2.97Å; F1210-E1213 VanDerWaalsContact CD1-OE2 3.32Å; F1210-E1213 WeakPolarHBondContact CD1-OE2 3.34Å; F1210-L1214 WeakPolarHBondContact O-CB 3.26Å; F1210-L1214 PolarHBondContact O-N 3.24Å |
| 1211 | K | 74.7 | Confident | 69.8 | Low | 115 Ų | 115 | 96.1 Ų | 96.1 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -74.9 | -36.6 | 170 | -168.8 | 175.7 | -170.9 | -66.6 | 0 | 112 | R1207 S1208 Q1209 E1213 L1214 D1215 | R1207-K1211 WeakPolarHBondContact O-CB 3.39Å; R1207-K1211 PolarHBondContact O-N 2.89Å; S1208-K1211 CarbonylContact O-C 3.47Å; Q1209-K1211 PolarHBondContact O-N 3.47Å; K1211-E1213 VanDerWaalsContact C-N 3.34Å; K1211-L1214 PolarHBondContact O-N 2.89Å; K1211-D1215 IonicContact NZ-OD1 3.29Å; K1211-D1215 PolarHBondContact NZ-OD1 3.29Å; K1211-D1215 IonicContact NZ-OD2 2.62Å; K1211-D1215 PolarHBondContact NZ-OD2 2.92Å; K1211-D1215 WeakPolarHBondContact O-CA 3.47Å; K1211-D1215 WeakPolarHBondContact O-CB 3.23Å; K1211-D1215 PolarHBondContact O-N 3.27Å |
| 1212 | A | 73.5 | Confident | 70.2 | Confident | 45 Ų | 45 | 97.1 Ų | 97.1 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.2 | -29.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1208 Q1209 D1216 | S1208-A1212 WeakPolarHBondContact O-CA 3.44Å; S1208-A1212 WeakPolarHBondContact O-CB 3.44Å; S1208-A1212 PolarHBondContact O-N 3.28Å; Q1209-A1212 CarbonylContact O-C 3.51Å; Q1209-A1212 PolarHBondContact O-N 3.31Å; A1212-D1216 WeakPolarHBondContact O-CA 3.36Å; A1212-D1216 WeakPolarHBondContact O-CB 3.49Å; A1212-D1216 VanDerWaalsContact O-CG 3.3Å; A1212-D1216 PolarHBondContact O-N 3.07Å |
| 1213 | E | 69.5 | Low | 70.4 | Confident | 97 Ų | 97 | 95.1 Ų | 95.1 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76.9 | -27.4 | 171.5 | -73.1 | 162 | -160.1 | 0 | 0 | 111 | Q1209 F1210 K1211 A1217 | Q1209-E1213 WeakPolarHBondContact CG-OE1 3.48Å; Q1209-E1213 WeakPolarHBondContact O-CA 3.43Å; Q1209-E1213 WeakPolarHBondContact O-CB 3.47Å; Q1209-E1213 WeakPolarHBondContact O-CG 3.11Å; Q1209-E1213 PolarHBondContact O-N 2.87Å; F1210-E1213 VanDerWaalsContact CD1-OE2 3.32Å; F1210-E1213 WeakPolarHBondContact CD1-OE2 3.34Å; K1211-E1213 VanDerWaalsContact C-N 3.34Å; E1213-A1217 WeakPolarHBondContact O-CA 3.48Å; E1213-A1217 WeakPolarHBondContact O-CB 3.33Å; E1213-A1217 PolarHBondContact O-N 3.48Å |
| 1214 | L | 68.1 | Low | 70.6 | Confident | 109 Ų | 109 | 98 Ų | 98 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -78.4 | -41.2 | 170.3 | -169 | 83.1 | 0 | 0 | 0 | 111.6 | F1210 K1211 A1217 H1218 | F1210-L1214 WeakPolarHBondContact O-CB 3.26Å; F1210-L1214 PolarHBondContact O-N 3.24Å; K1211-L1214 PolarHBondContact O-N 2.89Å; L1214-A1217 PolarHBondContact O-N 2.78Å; L1214-H1218 WeakPolarHBondContact O-CB 3.19Å; L1214-H1218 PolarHBondContact O-N 3.32Å |
| 1215 | D | 74.4 | Confident | 70.7 | Confident | 65 Ų | 65 | 99.5 Ų | 99.5 | 35% | 0.348 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.1 | -30.3 | 175.8 | -69.5 | -20.2 | 0 | 0 | 0 | 110 | K1211 H1218 N1219 | K1211-D1215 IonicContact NZ-OD1 3.29Å; K1211-D1215 PolarHBondContact NZ-OD1 3.29Å; K1211-D1215 IonicContact NZ-OD2 2.62Å; K1211-D1215 PolarHBondContact NZ-OD2 2.92Å; K1211-D1215 WeakPolarHBondContact O-CA 3.47Å; K1211-D1215 WeakPolarHBondContact O-CB 3.23Å; K1211-D1215 PolarHBondContact O-N 3.27Å; D1215-H1218 CarbonylContact O-C 3.53Å; D1215-H1218 WeakPolarHBondContact O-CB 3.48Å; D1215-H1218 PolarHBondContact O-N 2.71Å; D1215-N1219 WeakPolarHBondContact O-CB 3.3Å; D1215-N1219 PolarHBondContact O-N 3.12Å; D1215-N1219 PolarHBondContact O-ND2 3.43Å; D1215-N1219 VanDerWaalsContact O-ND2 3.07Å |
| 1216 | D | 71.7 | Confident | 70.9 | Confident | 88 Ų | 88 | 98.8 Ų | 98.8 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -84.2 | -24.4 | 169.1 | -77.2 | -19.8 | 0 | 0 | 0 | 112.9 | A1212 H1218 N1219 Q1220 | A1212-D1216 WeakPolarHBondContact O-CA 3.36Å; A1212-D1216 WeakPolarHBondContact O-CB 3.49Å; A1212-D1216 VanDerWaalsContact O-CG 3.3Å; A1212-D1216 PolarHBondContact O-N 3.07Å; D1216-H1218 VanDerWaalsContact C-N 3.27Å; D1216-N1219 PolarHBondContact O-N 2.85Å; D1216-N1219 PolarHBondContact OD1-ND2 2.81Å; D1216-Q1220 WeakPolarHBondContact O-CA 3.43Å; D1216-Q1220 WeakPolarHBondContact O-CB 3.48Å; D1216-Q1220 WeakPolarHBondContact O-CG 3.41Å; D1216-Q1220 PolarHBondContact O-N 2.87Å |
| 1217 | A | 66.9 | Low | 70.6 | Confident | 44 Ų | 44 | 97.6 Ų | 97.6 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.2 | -34.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | E1213 L1214 V1221 | E1213-A1217 WeakPolarHBondContact O-CA 3.48Å; E1213-A1217 WeakPolarHBondContact O-CB 3.33Å; E1213-A1217 PolarHBondContact O-N 3.48Å; L1214-A1217 PolarHBondContact O-N 2.78Å; A1217-V1221 VanDerWaalsContact O-CB 3.32Å; A1217-V1221 WeakPolarHBondContact O-CB 3.48Å; A1217-V1221 WeakPolarHBondContact O-CG2 3.4Å; A1217-V1221 PolarHBondContact O-N 3.01Å |
| 1218 | H | 74 | Confident | 70.5 | Confident | 128 Ų | 128 | 94.6 Ų | 94.6 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70 | -44.5 | 170.1 | -111.2 | 75.2 | 0 | 0 | 0 | 111.7 | L1214 D1215 D1216 Q1220 V1221 D1222 | L1214-H1218 WeakPolarHBondContact O-CB 3.19Å; L1214-H1218 PolarHBondContact O-N 3.32Å; D1215-H1218 CarbonylContact O-C 3.53Å; D1215-H1218 WeakPolarHBondContact O-CB 3.48Å; D1215-H1218 PolarHBondContact O-N 2.71Å; D1216-H1218 VanDerWaalsContact C-N 3.27Å; H1218-Q1220 VanDerWaalsContact C-N 3.3Å; H1218-Q1220 PolarHBondContact O-N 3.48Å; H1218-V1221 CarbonylContact O-C 3.48Å; H1218-V1221 PolarHBondContact O-N 2.96Å; H1218-D1222 VanDerWaalsContact O-CB 3.22Å; H1218-D1222 WeakPolarHBondContact O-CB 3.41Å; H1218-D1222 PolarHBondContact O-N 3.39Å |
| 1219 | N | 73 | Confident | 70.5 | Confident | 93 Ų | 93 | 95.9 Ų | 95.9 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.4 | -28.5 | 176.3 | -63.6 | -39.3 | 0 | 0 | 0 | 111.2 | D1215 D1216 S1223 | D1215-N1219 WeakPolarHBondContact O-CB 3.3Å; D1215-N1219 PolarHBondContact O-N 3.12Å; D1215-N1219 PolarHBondContact O-ND2 3.43Å; D1215-N1219 VanDerWaalsContact O-ND2 3.07Å; D1216-N1219 PolarHBondContact O-N 2.85Å; D1216-N1219 PolarHBondContact OD1-ND2 2.81Å; N1219-S1223 WeakPolarHBondContact O-CA 3.11Å; N1219-S1223 WeakPolarHBondContact O-CB 3.48Å; N1219-S1223 PolarHBondContact O-N 3.36Å |
| 1220 | Q | 69.3 | Low | 70.4 | Confident | 130 Ų | 130 | 95.7 Ų | 95.7 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -73.4 | -38.6 | 169.1 | -79.7 | -177.5 | -0.1 | 0 | 0 | 110.5 | D1216 H1218 D1222 I1224 | D1216-Q1220 WeakPolarHBondContact O-CA 3.43Å; D1216-Q1220 WeakPolarHBondContact O-CB 3.48Å; D1216-Q1220 WeakPolarHBondContact O-CG 3.41Å; D1216-Q1220 PolarHBondContact O-N 2.87Å; H1218-Q1220 VanDerWaalsContact C-N 3.3Å; H1218-Q1220 PolarHBondContact O-N 3.48Å; Q1220-D1222 VanDerWaalsContact C-N 3.35Å; Q1220-I1224 WeakPolarHBondContact O-CA 3.21Å; Q1220-I1224 WeakPolarHBondContact O-CB 3.16Å; Q1220-I1224 WeakPolarHBondContact O-CD1 3.37Å; Q1220-I1224 WeakPolarHBondContact O-CG1 3.37Å; Q1220-I1224 PolarHBondContact O-N 2.83Å |
| 1221 | V | 67.3 | Low | 70.1 | Confident | 75 Ų | 75 | 91.7 Ų | 91.7 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 172.2 | 164.3 | 0 | 0 | 0 | 0 | 111.1 | A1217 H1218 I1224 M1225 | A1217-V1221 VanDerWaalsContact O-CB 3.32Å; A1217-V1221 WeakPolarHBondContact O-CB 3.48Å; A1217-V1221 WeakPolarHBondContact O-CG2 3.4Å; A1217-V1221 PolarHBondContact O-N 3.01Å; H1218-V1221 CarbonylContact O-C 3.48Å; H1218-V1221 PolarHBondContact O-N 2.96Å; V1221-I1224 CarbonylContact O-C 3.51Å; V1221-I1224 PolarHBondContact O-N 2.67Å; V1221-M1225 WeakPolarHBondContact O-CB 3.44Å; V1221-M1225 VanDerWaalsContact O-CG 3.3Å; V1221-M1225 WeakPolarHBondContact O-CG 3.33Å; V1221-M1225 PolarHBondContact O-N 2.66Å |
| 1222 | D | 73.5 | Confident | 69.6 | Low | 73 Ų | 73 | 90.8 Ų | 90.8 | 39% | 0.39 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -79.9 | -28.6 | 179.7 | -142.9 | 53.5 | 0 | 0 | 0 | 111.6 | H1218 Q1220 K1226 | H1218-D1222 VanDerWaalsContact O-CB 3.22Å; H1218-D1222 WeakPolarHBondContact O-CB 3.41Å; H1218-D1222 PolarHBondContact O-N 3.39Å; Q1220-D1222 VanDerWaalsContact C-N 3.35Å; D1222-K1226 VanDerWaalsContact O-CB 3.3Å; D1222-K1226 WeakPolarHBondContact O-CB 3.25Å; D1222-K1226 WeakPolarHBondContact O-CD 3.16Å; D1222-K1226 VanDerWaalsContact O-CG 3.23Å; D1222-K1226 WeakPolarHBondContact O-CG 3.41Å; D1222-K1226 PolarHBondContact O-N 2.77Å; D1222-K1226 IonicContact OD2-NZ 2.7Å; D1222-K1226 PolarHBondContact OD2-NZ 2.79Å |
| 1223 | S | 69.4 | Low | 69.5 | Low | 72 Ų | 72 | 94.9 Ų | 94.9 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.6 | -38.2 | 167 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | N1219 M1225 K1226 A1227 | N1219-S1223 WeakPolarHBondContact O-CA 3.11Å; N1219-S1223 WeakPolarHBondContact O-CB 3.48Å; N1219-S1223 PolarHBondContact O-N 3.36Å; S1223-M1225 VanDerWaalsContact C-N 3.33Å; S1223-K1226 CarbonylContact O-C 3.6Å; S1223-K1226 PolarHBondContact O-N 2.91Å; S1223-A1227 WeakPolarHBondContact O-CA 3.44Å; S1223-A1227 WeakPolarHBondContact O-CB 3.25Å; S1223-A1227 PolarHBondContact O-N 3.47Å |
| 1224 | I | 68 | Low | 69.2 | Low | 113 Ų | 113 | 93.9 Ų | 93.9 | 58% | 0.579 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.5 | -33.5 | 170.4 | -73.3 | 163.4 | 0 | 0 | 0 | 109.7 | Q1220 V1221 K1228 | Q1220-I1224 WeakPolarHBondContact O-CA 3.21Å; Q1220-I1224 WeakPolarHBondContact O-CB 3.16Å; Q1220-I1224 WeakPolarHBondContact O-CD1 3.37Å; Q1220-I1224 WeakPolarHBondContact O-CG1 3.37Å; Q1220-I1224 PolarHBondContact O-N 2.83Å; V1221-I1224 CarbonylContact O-C 3.51Å; V1221-I1224 PolarHBondContact O-N 2.67Å; I1224-K1228 WeakPolarHBondContact O-CA 3.39Å; I1224-K1228 WeakPolarHBondContact O-CB 3.43Å; I1224-K1228 PolarHBondContact O-N 2.85Å |
| 1225 | M | 72 | Confident | 69 | Low | 121 Ų | 121 | 91.7 Ų | 91.7 | 60% | 0.596 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.5 | -41.9 | 170.5 | -75.4 | -148.1 | -172.1 | 0 | 0 | 111.7 | V1221 S1223 K1228 L1229 | V1221-M1225 WeakPolarHBondContact O-CB 3.44Å; V1221-M1225 VanDerWaalsContact O-CG 3.3Å; V1221-M1225 WeakPolarHBondContact O-CG 3.33Å; V1221-M1225 PolarHBondContact O-N 2.66Å; S1223-M1225 VanDerWaalsContact C-N 3.33Å; M1225-K1228 CarbonylContact O-C 3.53Å; M1225-K1228 PolarHBondContact O-N 2.96Å; M1225-L1229 VanDerWaalsContact O-CB 3.29Å; M1225-L1229 WeakPolarHBondContact O-CB 3.45Å; M1225-L1229 PolarHBondContact O-N 3Å |
| 1226 | K | 73.6 | Confident | 68.9 | Low | 127 Ų | 127 | 95.6 Ų | 95.6 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -71.2 | -34.1 | 176 | -75.8 | 164.1 | -177.3 | 137.4 | 0 | 112.8 | D1222 S1223 L1229 N1230 | D1222-K1226 VanDerWaalsContact O-CB 3.3Å; D1222-K1226 WeakPolarHBondContact O-CB 3.25Å; D1222-K1226 WeakPolarHBondContact O-CD 3.16Å; D1222-K1226 VanDerWaalsContact O-CG 3.23Å; D1222-K1226 WeakPolarHBondContact O-CG 3.41Å; D1222-K1226 PolarHBondContact O-N 2.77Å; D1222-K1226 IonicContact OD2-NZ 2.7Å; D1222-K1226 PolarHBondContact OD2-NZ 2.79Å; S1223-K1226 CarbonylContact O-C 3.6Å; S1223-K1226 PolarHBondContact O-N 2.91Å; K1226-L1229 PolarHBondContact O-N 2.96Å; K1226-N1230 VanDerWaalsContact O-CB 3.24Å; K1226-N1230 WeakPolarHBondContact O-CB 3.29Å; K1226-N1230 PolarHBondContact O-N 3.13Å |
| 1227 | A | 63.2 | Low | 68.6 | Low | 55 Ų | 55 | 93.9 Ų | 93.9 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -75.9 | -28.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S1223 S1231 | S1223-A1227 WeakPolarHBondContact O-CA 3.44Å; S1223-A1227 WeakPolarHBondContact O-CB 3.25Å; S1223-A1227 PolarHBondContact O-N 3.47Å; A1227-S1231 WeakPolarHBondContact O-CA 3.23Å; A1227-S1231 WeakPolarHBondContact O-CB 3.32Å; A1227-S1231 PolarHBondContact O-N 3.35Å |
| 1228 | K | 67.8 | Low | 68 | Low | 127 Ų | 127 | 96 Ų | 96 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71 | -39 | 166.5 | -175.6 | -174.4 | -179.9 | -149 | 0 | 111.2 | I1224 M1225 S1231 E1232 | I1224-K1228 WeakPolarHBondContact O-CA 3.39Å; I1224-K1228 WeakPolarHBondContact O-CB 3.43Å; I1224-K1228 PolarHBondContact O-N 2.85Å; M1225-K1228 CarbonylContact O-C 3.53Å; M1225-K1228 PolarHBondContact O-N 2.96Å; K1228-S1231 CarbonylContact O-C 3.53Å; K1228-S1231 WeakPolarHBondContact O-CA 3.11Å; K1228-S1231 WeakPolarHBondContact O-CB 3.49Å; K1228-S1231 PolarHBondContact O-N 3.18Å; K1228-E1232 WeakPolarHBondContact CE-OE1 3.46Å; K1228-E1232 IonicContact NZ-OE1 3.53Å; K1228-E1232 PolarHBondContact NZ-OE1 3.46Å; K1228-E1232 WeakPolarHBondContact O-CB 3.29Å; K1228-E1232 VanDerWaalsContact O-CG 3.32Å; K1228-E1232 WeakPolarHBondContact O-CG 3.42Å; K1228-E1232 PolarHBondContact O-N 2.91Å |
| 1229 | L | 72 | Confident | 67.7 | Low | 97 Ų | 97 | 94.7 Ų | 94.7 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -77 | -32.9 | 179.5 | -146.9 | 158.6 | 0 | 0 | 0 | 111.2 | M1225 K1226 K1233 | M1225-L1229 VanDerWaalsContact O-CB 3.29Å; M1225-L1229 WeakPolarHBondContact O-CB 3.45Å; M1225-L1229 PolarHBondContact O-N 3Å; K1226-L1229 PolarHBondContact O-N 2.96Å; L1229-K1233 WeakPolarHBondContact O-CG 3.41Å; L1229-K1233 PolarHBondContact O-N 3Å |
| 1230 | N | 69.4 | Low | 67.6 | Low | 95 Ų | 95 | 93.7 Ų | 93.7 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.7 | -31.5 | 164.1 | -81 | -10.6 | 0 | 0 | 0 | 111.8 | K1226 K1233 T1234 | K1226-N1230 VanDerWaalsContact O-CB 3.24Å; K1226-N1230 WeakPolarHBondContact O-CB 3.29Å; K1226-N1230 PolarHBondContact O-N 3.13Å; N1230-K1233 CarbonylContact O-C 3.48Å; N1230-K1233 PolarHBondContact O-N 2.89Å; N1230-T1234 WeakPolarHBondContact O-CG2 3.46Å; N1230-T1234 PolarHBondContact O-N 2.83Å; N1230-T1234 PolarHBondContact O-OG1 3.19Å; N1230-T1234 VanDerWaalsContact O-OG1 3.11Å |
| 1231 | S | 60.1 | Low | 67.3 | Low | 57 Ų | 57 | 92.6 Ų | 92.6 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70 | -34.1 | 171.1 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | A1227 K1228 K1233 T1234 V1235 | A1227-S1231 WeakPolarHBondContact O-CA 3.23Å; A1227-S1231 WeakPolarHBondContact O-CB 3.32Å; A1227-S1231 PolarHBondContact O-N 3.35Å; K1228-S1231 CarbonylContact O-C 3.53Å; K1228-S1231 WeakPolarHBondContact O-CA 3.11Å; K1228-S1231 WeakPolarHBondContact O-CB 3.49Å; K1228-S1231 PolarHBondContact O-N 3.18Å; S1231-K1233 VanDerWaalsContact C-N 3.33Å; S1231-T1234 WeakPolarHBondContact CA-OG1 3.46Å; S1231-T1234 CarbonylContact O-C 3.57Å; S1231-T1234 PolarHBondContact O-N 3.48Å; S1231-T1234 PolarHBondContact O-OG1 2.77Å; S1231-V1235 WeakPolarHBondContact O-CA 3.45Å; S1231-V1235 WeakPolarHBondContact O-CB 3.22Å; S1231-V1235 WeakPolarHBondContact O-CG2 3.31Å; S1231-V1235 PolarHBondContact O-N 3.44Å |
| 1232 | E | 65.9 | Low | 66.7 | Low | 96 Ų | 96 | 94.7 Ų | 94.7 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.3 | -29.4 | 171.4 | -76.2 | 170.9 | -166.3 | 0 | 0 | 111 | K1228 K1236 | K1228-E1232 WeakPolarHBondContact CE-OE1 3.46Å; K1228-E1232 IonicContact NZ-OE1 3.53Å; K1228-E1232 PolarHBondContact NZ-OE1 3.46Å; K1228-E1232 WeakPolarHBondContact O-CB 3.29Å; K1228-E1232 VanDerWaalsContact O-CG 3.32Å; K1228-E1232 WeakPolarHBondContact O-CG 3.42Å; K1228-E1232 PolarHBondContact O-N 2.91Å; E1232-K1236 WeakPolarHBondContact O-CB 3.46Å; E1232-K1236 WeakPolarHBondContact O-CG 3.28Å; E1232-K1236 PolarHBondContact O-N 3.45Å |
| 1233 | K | 69.9 | Low | 66.6 | Low | 131 Ų | 131 | 97.9 Ų | 97.9 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -75.1 | -40.5 | 169.2 | -76 | 176 | 179 | 177.1 | 0 | 113.2 | L1229 N1230 S1231 K1236 A1237 | L1229-K1233 WeakPolarHBondContact O-CG 3.41Å; L1229-K1233 PolarHBondContact O-N 3Å; N1230-K1233 CarbonylContact O-C 3.48Å; N1230-K1233 PolarHBondContact O-N 2.89Å; S1231-K1233 VanDerWaalsContact C-N 3.33Å; K1233-K1236 PolarHBondContact O-N 2.84Å; K1233-A1237 WeakPolarHBondContact O-CB 3.35Å; K1233-A1237 PolarHBondContact O-N 3.13Å |
| 1234 | T | 63.5 | Low | 66.6 | Low | 75 Ų | 75 | 100.2 Ų | 100.2 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -76.5 | -26.1 | 174.4 | 55.2 | 0 | 0 | 0 | 0 | 111.4 | N1230 S1231 A1237 L1238 | N1230-T1234 WeakPolarHBondContact O-CG2 3.46Å; N1230-T1234 PolarHBondContact O-N 2.83Å; N1230-T1234 PolarHBondContact O-OG1 3.19Å; N1230-T1234 VanDerWaalsContact O-OG1 3.11Å; S1231-T1234 WeakPolarHBondContact CA-OG1 3.46Å; S1231-T1234 CarbonylContact O-C 3.57Å; S1231-T1234 PolarHBondContact O-N 3.48Å; S1231-T1234 PolarHBondContact O-OG1 2.77Å; T1234-A1237 CarbonylContact O-C 3.57Å; T1234-A1237 PolarHBondContact O-N 3.43Å; T1234-L1238 WeakPolarHBondContact O-CA 3.41Å; T1234-L1238 WeakPolarHBondContact O-CB 3.2Å; T1234-L1238 WeakPolarHBondContact O-CD1 3.17Å; T1234-L1238 WeakPolarHBondContact O-CG 3.18Å; T1234-L1238 PolarHBondContact O-N 3.06Å |
| 1235 | V | 63.3 | Low | 66.2 | Low | 64 Ų | 64 | 98.9 Ų | 98.9 | 39% | 0.388 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.1 | -42 | 166.1 | 163.7 | 0 | 0 | 0 | 0 | 108.6 | S1231 A1237 L1238 E1239 | S1231-V1235 WeakPolarHBondContact O-CA 3.45Å; S1231-V1235 WeakPolarHBondContact O-CB 3.22Å; S1231-V1235 WeakPolarHBondContact O-CG2 3.31Å; S1231-V1235 PolarHBondContact O-N 3.44Å; V1235-A1237 PolarHBondContact O-N 3.23Å; V1235-L1238 CarbonylContact O-C 3.52Å; V1235-L1238 PolarHBondContact O-N 3.19Å; V1235-E1239 HydrophobicContact CG1-CG 4.26Å; V1235-E1239 WeakPolarHBondContact O-CA 3.33Å; V1235-E1239 VanDerWaalsContact O-CB 3.3Å; V1235-E1239 WeakPolarHBondContact O-CB 3.36Å; V1235-E1239 WeakPolarHBondContact O-CG 3.31Å; V1235-E1239 PolarHBondContact O-N 3.31Å |
| 1236 | K | 72.2 | Confident | 66.1 | Low | 146 Ų | 146 | 95.6 Ų | 95.6 | 64% | 0.635 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.6 | -35.3 | 171.9 | -81.6 | 174.5 | 176.4 | 178.5 | 0 | 114.3 | E1232 K1233 E1239 S1240 | E1232-K1236 WeakPolarHBondContact O-CB 3.46Å; E1232-K1236 WeakPolarHBondContact O-CG 3.28Å; E1232-K1236 PolarHBondContact O-N 3.45Å; K1233-K1236 PolarHBondContact O-N 2.84Å; K1236-E1239 VanDerWaalsContact CG-OE2 3.28Å; K1236-E1239 WeakPolarHBondContact CG-OE2 3.42Å; K1236-E1239 PolarHBondContact O-N 2.95Å; K1236-S1240 PolarHBondContact O-N 2.96Å |
| 1237 | A | 67.2 | Low | 66.1 | Low | 52 Ų | 52 | 94 Ų | 94 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.9 | -34.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1233 T1234 V1235 S1240 Q1241 | K1233-A1237 WeakPolarHBondContact O-CB 3.35Å; K1233-A1237 PolarHBondContact O-N 3.13Å; T1234-A1237 CarbonylContact O-C 3.57Å; T1234-A1237 PolarHBondContact O-N 3.43Å; V1235-A1237 PolarHBondContact O-N 3.23Å; A1237-S1240 PolarHBondContact O-N 3.32Å; A1237-Q1241 WeakPolarHBondContact O-CB 3.47Å; A1237-Q1241 WeakPolarHBondContact O-CG 3.34Å; A1237-Q1241 PolarHBondContact O-N 2.8Å |
| 1238 | L | 53.8 | Low | 66.3 | Low | 88 Ų | 88 | 97.4 Ų | 97.4 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -77.5 | -19.3 | 172.8 | -73.5 | 165.9 | 0 | 0 | 0 | 112.2 | T1234 V1235 Q1241 L1242 | T1234-L1238 WeakPolarHBondContact O-CA 3.41Å; T1234-L1238 WeakPolarHBondContact O-CB 3.2Å; T1234-L1238 WeakPolarHBondContact O-CD1 3.17Å; T1234-L1238 WeakPolarHBondContact O-CG 3.18Å; T1234-L1238 PolarHBondContact O-N 3.06Å; V1235-L1238 CarbonylContact O-C 3.52Å; V1235-L1238 PolarHBondContact O-N 3.19Å; L1238-Q1241 CarbonylContact O-C 3.58Å; L1238-L1242 WeakPolarHBondContact O-CA 3.26Å; L1238-L1242 WeakPolarHBondContact O-CB 3.34Å; L1238-L1242 WeakPolarHBondContact O-CD1 3.42Å; L1238-L1242 PolarHBondContact O-N 3.42Å |
| 1239 | E | 68.4 | Low | 65.9 | Low | 102 Ų | 102 | 95.9 Ų | 95.9 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -76.6 | -42.2 | 168.7 | -80.5 | 168.4 | 169.5 | 0 | 0 | 109 | V1235 K1236 L1242 Q1243 | V1235-E1239 HydrophobicContact CG1-CG 4.26Å; V1235-E1239 WeakPolarHBondContact O-CA 3.33Å; V1235-E1239 VanDerWaalsContact O-CB 3.3Å; V1235-E1239 WeakPolarHBondContact O-CB 3.36Å; V1235-E1239 WeakPolarHBondContact O-CG 3.31Å; V1235-E1239 PolarHBondContact O-N 3.31Å; K1236-E1239 VanDerWaalsContact CG-OE2 3.28Å; K1236-E1239 WeakPolarHBondContact CG-OE2 3.42Å; K1236-E1239 PolarHBondContact O-N 2.95Å; E1239-L1242 CarbonylContact O-C 3.56Å; E1239-L1242 PolarHBondContact O-N 3.42Å; E1239-Q1243 WeakPolarHBondContact O-CG 3.31Å; E1239-Q1243 PolarHBondContact O-N 3.04Å |
| 1240 | S | 70.5 | Confident | 65.9 | Low | 71 Ų | 71 | 96.1 Ų | 96.1 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 170.8 | -167.3 | 0 | 0 | 0 | 0 | 111.7 | K1236 A1237 L1242 Q1243 E1244 | K1236-S1240 PolarHBondContact O-N 2.96Å; A1237-S1240 PolarHBondContact O-N 3.32Å; S1240-L1242 VanDerWaalsContact C-N 3.34Å; S1240-Q1243 PolarHBondContact O-N 3.08Å; S1240-E1244 PolarHBondContact O-N 2.6Å |
| 1241 | Q | 61.7 | Low | 65.9 | Low | 108 Ų | 108 | 97.8 Ų | 97.8 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72 | -26.2 | 170.4 | -73.4 | -177.7 | -21.4 | 0 | 0 | 111.7 | A1237 L1238 Q1243 V1245 | A1237-Q1241 WeakPolarHBondContact O-CB 3.47Å; A1237-Q1241 WeakPolarHBondContact O-CG 3.34Å; A1237-Q1241 PolarHBondContact O-N 2.8Å; L1238-Q1241 CarbonylContact O-C 3.58Å; Q1241-Q1243 VanDerWaalsContact C-N 3.27Å; Q1241-V1245 WeakPolarHBondContact O-CA 3.47Å; Q1241-V1245 WeakPolarHBondContact O-CB 3.43Å; Q1241-V1245 WeakPolarHBondContact O-CG2 3.17Å; Q1241-V1245 PolarHBondContact O-N 3.49Å |
| 1242 | L | 55.7 | Low | 66 | Low | 118 Ų | 118 | 97.1 Ų | 97.1 | 62% | 0.618 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.4 | -23.2 | 167.8 | -112.1 | 102.9 | 0 | 0 | 0 | 111.1 | L1238 E1239 S1240 S1246 | L1238-L1242 WeakPolarHBondContact O-CA 3.26Å; L1238-L1242 WeakPolarHBondContact O-CB 3.34Å; L1238-L1242 WeakPolarHBondContact O-CD1 3.42Å; L1238-L1242 PolarHBondContact O-N 3.42Å; E1239-L1242 CarbonylContact O-C 3.56Å; E1239-L1242 PolarHBondContact O-N 3.42Å; S1240-L1242 VanDerWaalsContact C-N 3.34Å; L1242-S1246 VanDerWaalsContact O-CA 3.31Å; L1242-S1246 WeakPolarHBondContact O-CA 3.3Å; L1242-S1246 WeakPolarHBondContact O-CB 3.24Å; L1242-S1246 PolarHBondContact O-N 3.25Å |
| 1243 | Q | 71.8 | Confident | 66.1 | Low | 141 Ų | 141 | 95 Ų | 95 | 66% | 0.659 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -77.1 | -43.9 | 171.1 | -76.7 | -176 | -31.5 | 0 | 0 | 111.1 | E1239 S1240 Q1241 S1246 V1247 | E1239-Q1243 WeakPolarHBondContact O-CG 3.31Å; E1239-Q1243 PolarHBondContact O-N 3.04Å; S1240-Q1243 PolarHBondContact O-N 3.08Å; Q1241-Q1243 VanDerWaalsContact C-N 3.27Å; Q1243-S1246 PolarHBondContact O-N 2.87Å; Q1243-V1247 WeakPolarHBondContact O-CG2 3.14Å; Q1243-V1247 PolarHBondContact O-N 2.81Å |
| 1244 | E | 67.9 | Low | 66.2 | Low | 121 Ų | 121 | 97.9 Ų | 97.9 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.1 | -41.2 | 170.5 | -73.2 | -159.7 | 132.8 | 0 | 0 | 112.7 | S1240 S1246 V1247 K1248 | S1240-E1244 PolarHBondContact O-N 2.6Å; E1244-S1246 VanDerWaalsContact C-N 3.34Å; E1244-V1247 PolarHBondContact O-N 2.86Å; E1244-K1248 WeakPolarHBondContact O-CB 3.37Å; E1244-K1248 WeakPolarHBondContact O-CG 3.16Å; E1244-K1248 PolarHBondContact O-N 2.96Å |
| 1245 | V | 59.7 | Low | 66.5 | Low | 84 Ų | 84 | 99.2 Ų | 99.2 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.4 | -27.6 | 173.8 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | Q1241 K1248 L1249 | Q1241-V1245 WeakPolarHBondContact O-CA 3.47Å; Q1241-V1245 WeakPolarHBondContact O-CB 3.43Å; Q1241-V1245 WeakPolarHBondContact O-CG2 3.17Å; Q1241-V1245 PolarHBondContact O-N 3.49Å; V1245-K1248 CarbonylContact O-C 3.59Å; V1245-L1249 WeakPolarHBondContact O-CA 3.36Å; V1245-L1249 WeakPolarHBondContact O-CB 3.27Å; V1245-L1249 PolarHBondContact O-N 3.12Å |
| 1246 | S | 71.2 | Confident | 66.3 | Low | 52 Ų | 52 | 101.2 Ų | 101.2 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.7 | -38.7 | 171.5 | -174.2 | 0 | 0 | 0 | 0 | 111 | L1242 Q1243 E1244 L1249 D1250 | L1242-S1246 VanDerWaalsContact O-CA 3.31Å; L1242-S1246 WeakPolarHBondContact O-CA 3.3Å; L1242-S1246 WeakPolarHBondContact O-CB 3.24Å; L1242-S1246 PolarHBondContact O-N 3.25Å; Q1243-S1246 PolarHBondContact O-N 2.87Å; E1244-S1246 VanDerWaalsContact C-N 3.34Å; S1246-L1249 CarbonylContact O-C 3.41Å; S1246-L1249 PolarHBondContact O-N 3.41Å; S1246-D1250 PolarHBondContact O-N 3.18Å |
| 1247 | V | 73.8 | Confident | 66.3 | Low | 93 Ų | 93 | 99.2 Ų | 99.2 | 56% | 0.564 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.5 | -44.8 | 173.2 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | Q1243 E1244 L1249 D1250 E1251 | Q1243-V1247 WeakPolarHBondContact O-CG2 3.14Å; Q1243-V1247 PolarHBondContact O-N 2.81Å; E1244-V1247 PolarHBondContact O-N 2.86Å; V1247-L1249 VanDerWaalsContact C-N 3.26Å; V1247-L1249 PolarHBondContact O-N 3.35Å; V1247-D1250 PolarHBondContact O-N 2.91Å; V1247-E1251 PolarHBondContact O-N 2.86Å |
| 1248 | K | 67.1 | Low | 66.4 | Low | 128 Ų | 128 | 103.4 Ų | 103.4 | 56% | 0.557 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.9 | -25.6 | 172.2 | -71.1 | 170.5 | -179.9 | 165.7 | 0 | 112.8 | E1244 V1245 A1252 | E1244-K1248 WeakPolarHBondContact O-CB 3.37Å; E1244-K1248 WeakPolarHBondContact O-CG 3.16Å; E1244-K1248 PolarHBondContact O-N 2.96Å; V1245-K1248 CarbonylContact O-C 3.59Å; K1248-A1252 WeakPolarHBondContact O-CB 3.31Å; K1248-A1252 PolarHBondContact O-N 3.34Å |
| 1249 | L | 59.8 | Low | 66.7 | Low | 95 Ų | 95 | 105.8 Ų | 105.8 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -79.1 | -31.2 | 174.6 | -177.9 | 66.3 | 0 | 0 | 0 | 110.5 | V1245 S1246 V1247 T1253 | V1245-L1249 WeakPolarHBondContact O-CA 3.36Å; V1245-L1249 WeakPolarHBondContact O-CB 3.27Å; V1245-L1249 PolarHBondContact O-N 3.12Å; S1246-L1249 CarbonylContact O-C 3.41Å; S1246-L1249 PolarHBondContact O-N 3.41Å; V1247-L1249 VanDerWaalsContact C-N 3.26Å; V1247-L1249 PolarHBondContact O-N 3.35Å; L1249-T1253 WeakPolarHBondContact O-CA 3.49Å; L1249-T1253 WeakPolarHBondContact O-CB 3.36Å; L1249-T1253 PolarHBondContact O-N 2.96Å; L1249-T1253 PolarHBondContact O-OG1 2.82Å |
| 1250 | D | 71.6 | Confident | 66.4 | Low | 102 Ų | 102 | 102.9 Ų | 102.9 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.4 | -40.6 | 171.9 | -76.5 | -37.2 | 0 | 0 | 0 | 110.7 | S1246 V1247 T1253 R1254 | S1246-D1250 PolarHBondContact O-N 3.18Å; V1247-D1250 PolarHBondContact O-N 2.91Å; D1250-T1253 PolarHBondContact O-N 2.84Å; D1250-R1254 PolarHBondContact O-N 2.84Å |
| 1251 | E | 69.9 | Low | 66.5 | Low | 129 Ų | 129 | 103 Ų | 103 | 60% | 0.603 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65 | -47.1 | 169.4 | -70.2 | -166.7 | 130.7 | 0 | 0 | 112 | V1247 T1253 R1254 N1255 | V1247-E1251 PolarHBondContact O-N 2.86Å; E1251-T1253 VanDerWaalsContact C-N 3.28Å; E1251-T1253 PolarHBondContact O-N 3.5Å; E1251-R1254 WeakPolarHBondContact O-CB 3.3Å; E1251-R1254 PolarHBondContact O-N 3.24Å; E1251-N1255 PolarHBondContact O-N 3.26Å; E1251-N1255 VanDerWaalsContact O-N 3.13Å |
| 1252 | A | 61 | Low | 66.8 | Low | 44 Ų | 44 | 101.8 Ų | 101.8 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -34.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1248 N1255 L1256 | K1248-A1252 WeakPolarHBondContact O-CB 3.31Å; K1248-A1252 PolarHBondContact O-N 3.34Å; A1252-N1255 CarbonylContact O-C 3.54Å; A1252-N1255 PolarHBondContact O-N 3.24Å; A1252-L1256 WeakPolarHBondContact O-CB 3.41Å; A1252-L1256 PolarHBondContact O-N 2.89Å |
| 1253 | T | 68.1 | Low | 67.2 | Low | 50 Ų | 50 | 103.6 Ų | 103.6 | 31% | 0.307 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -75.4 | -25.7 | 178.4 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | L1249 D1250 E1251 N1257 | L1249-T1253 WeakPolarHBondContact O-CA 3.49Å; L1249-T1253 WeakPolarHBondContact O-CB 3.36Å; L1249-T1253 PolarHBondContact O-N 2.96Å; L1249-T1253 PolarHBondContact O-OG1 2.82Å; D1250-T1253 PolarHBondContact O-N 2.84Å; E1251-T1253 VanDerWaalsContact C-N 3.28Å; E1251-T1253 PolarHBondContact O-N 3.5Å; T1253-N1257 WeakPolarHBondContact CG2-ND2 3.29Å; T1253-N1257 VanDerWaalsContact O-CB 3.31Å; T1253-N1257 WeakPolarHBondContact O-CB 3.25Å; T1253-N1257 PolarHBondContact O-N 3.49Å; T1253-N1257 PolarHBondContact O-ND2 2.92Å |
| 1254 | R | 72.4 | Confident | 67 | Low | 192 Ų | 192 | 99.5 Ų | 99.5 | 73% | 0.725 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -52.8 | 162.5 | -81.5 | 179.2 | 164.2 | 175.4 | -3.8 | 110.9 | D1250 E1251 L1256 N1257 E1258 | D1250-R1254 PolarHBondContact O-N 2.84Å; E1251-R1254 WeakPolarHBondContact O-CB 3.3Å; E1251-R1254 PolarHBondContact O-N 3.24Å; R1254-L1256 VanDerWaalsContact C-N 3.26Å; R1254-L1256 PolarHBondContact O-N 2.91Å; R1254-N1257 PolarHBondContact O-N 2.84Å; R1254-N1257 VanDerWaalsContact O-N 3.16Å; R1254-E1258 PolarHBondContact O-N 3.42Å |
| 1255 | N | 68.6 | Low | 67.2 | Low | 103 Ų | 103 | 102.5 Ų | 102.5 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.8 | -34 | 177.7 | -65.8 | -15.4 | 0 | 0 | 0 | 112.5 | E1251 A1252 E1258 Q1259 | E1251-N1255 PolarHBondContact O-N 3.26Å; E1251-N1255 VanDerWaalsContact O-N 3.13Å; A1252-N1255 CarbonylContact O-C 3.54Å; A1252-N1255 PolarHBondContact O-N 3.24Å; N1255-E1258 PolarHBondContact O-N 3.22Å; N1255-Q1259 PolarHBondContact O-N 3.06Å |
| 1256 | L | 59.6 | Low | 67.1 | Low | 107 Ų | 107 | 101.6 Ų | 101.6 | 56% | 0.56 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -77.3 | -28.7 | 178.8 | -154.3 | 156.9 | 0 | 0 | 0 | 111.2 | A1252 R1254 Q1259 A1260 | A1252-L1256 WeakPolarHBondContact O-CB 3.41Å; A1252-L1256 PolarHBondContact O-N 2.89Å; R1254-L1256 VanDerWaalsContact C-N 3.26Å; R1254-L1256 PolarHBondContact O-N 2.91Å; L1256-Q1259 CarbonylContact O-C 3.49Å; L1256-A1260 WeakPolarHBondContact O-CA 3.31Å; L1256-A1260 WeakPolarHBondContact O-CB 3.33Å; L1256-A1260 PolarHBondContact O-N 2.88Å |
| 1257 | N | 72 | Confident | 66.9 | Low | 104 Ų | 104 | 102.7 Ų | 102.7 | 56% | 0.556 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.2 | -38.8 | 167.7 | -84 | -61.4 | 0 | 0 | 0 | 112 | T1253 R1254 A1260 S1261 | T1253-N1257 WeakPolarHBondContact CG2-ND2 3.29Å; T1253-N1257 VanDerWaalsContact O-CB 3.31Å; T1253-N1257 WeakPolarHBondContact O-CB 3.25Å; T1253-N1257 PolarHBondContact O-N 3.49Å; T1253-N1257 PolarHBondContact O-ND2 2.92Å; R1254-N1257 PolarHBondContact O-N 2.84Å; R1254-N1257 VanDerWaalsContact O-N 3.16Å; N1257-A1260 PolarHBondContact O-N 2.78Å; N1257-S1261 PolarHBondContact O-N 3.29Å |
| 1258 | E | 69.2 | Low | 66.8 | Low | 140 Ų | 140 | 105.3 Ų | 105.3 | 65% | 0.654 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.8 | -43.6 | 171.8 | -68.5 | -167.4 | 159.4 | 0 | 0 | 111.4 | R1254 N1255 A1260 S1261 T1262 | R1254-E1258 PolarHBondContact O-N 3.42Å; N1255-E1258 PolarHBondContact O-N 3.22Å; E1258-A1260 VanDerWaalsContact C-N 3.34Å; E1258-A1260 PolarHBondContact O-N 3.44Å; E1258-S1261 PolarHBondContact O-N 3.37Å; E1258-S1261 PolarHBondContact O-OG 3.02Å; E1258-T1262 PolarHBondContact O-N 3.39Å; E1258-T1262 PolarHBondContact O-OG1 2.93Å |
| 1259 | Q | 61.1 | Low | 66.9 | Low | 137 Ų | 137 | 105.4 Ų | 105.4 | 64% | 0.64 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.2 | -32.3 | 170.6 | -75.5 | -163.3 | -0.9 | 0 | 0 | 113.4 | N1255 L1256 S1261 T1262 K1263 | N1255-Q1259 PolarHBondContact O-N 3.06Å; L1256-Q1259 CarbonylContact O-C 3.49Å; Q1259-S1261 VanDerWaalsContact C-N 3.34Å; Q1259-T1262 WeakPolarHBondContact CA-OG1 3.22Å; Q1259-T1262 PolarHBondContact O-N 3.23Å; Q1259-T1262 PolarHBondContact O-OG1 3.22Å; Q1259-T1262 VanDerWaalsContact O-OG1 3.05Å; Q1259-K1263 WeakPolarHBondContact O-CB 3.34Å; Q1259-K1263 PolarHBondContact O-N 2.94Å |
| 1260 | A | 62.5 | Low | 67.2 | Low | 41 Ų | 41 | 104.6 Ų | 104.6 | 34% | 0.339 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.8 | -36.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1256 N1257 E1258 T1262 A1264 | L1256-A1260 WeakPolarHBondContact O-CA 3.31Å; L1256-A1260 WeakPolarHBondContact O-CB 3.33Å; L1256-A1260 PolarHBondContact O-N 2.88Å; N1257-A1260 PolarHBondContact O-N 2.78Å; E1258-A1260 VanDerWaalsContact C-N 3.34Å; E1258-A1260 PolarHBondContact O-N 3.44Å; A1260-T1262 VanDerWaalsContact C-N 3.34Å; A1260-T1262 PolarHBondContact O-N 3.3Å; A1260-A1264 WeakPolarHBondContact O-CB 3.35Å; A1260-A1264 PolarHBondContact O-N 2.84Å |
| 1261 | S | 71.8 | Confident | 67.1 | Low | 74 Ų | 74 | 103.1 Ų | 103.1 | 52% | 0.517 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 176.4 | 81.9 | 0 | 0 | 0 | 0 | 113 | N1257 E1258 Q1259 | N1257-S1261 PolarHBondContact O-N 3.29Å; E1258-S1261 PolarHBondContact O-N 3.37Å; E1258-S1261 PolarHBondContact O-OG 3.02Å; Q1259-S1261 VanDerWaalsContact C-N 3.34Å |
| 1262 | T | 67.5 | Low | 67.2 | Low | 82 Ų | 82 | 101.2 Ų | 101.2 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -80 | -42.4 | 175.4 | 49.2 | 0 | 0 | 0 | 0 | 111.6 | E1258 Q1259 A1260 A1264 R1265 S1266 | E1258-T1262 PolarHBondContact O-N 3.39Å; E1258-T1262 PolarHBondContact O-OG1 2.93Å; Q1259-T1262 WeakPolarHBondContact CA-OG1 3.22Å; Q1259-T1262 PolarHBondContact O-N 3.23Å; Q1259-T1262 PolarHBondContact O-OG1 3.22Å; Q1259-T1262 VanDerWaalsContact O-OG1 3.05Å; A1260-T1262 VanDerWaalsContact C-N 3.34Å; A1260-T1262 PolarHBondContact O-N 3.3Å; T1262-A1264 VanDerWaalsContact C-N 3.25Å; T1262-A1264 PolarHBondContact O-N 3.1Å; T1262-R1265 WeakPolarHBondContact O-CB 3.37Å; T1262-R1265 PolarHBondContact O-N 2.56Å; T1262-R1265 VanDerWaalsContact O-N 3.09Å; T1262-S1266 PolarHBondContact O-N 3.34Å |
| 1263 | K | 64.4 | Low | 67.4 | Low | 157 Ų | 157 | 104.3 Ų | 104.3 | 68% | 0.683 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.8 | -32.8 | 172.8 | -172.1 | 174.3 | -178.1 | 178.1 | 0 | 112.4 | Q1259 S1266 S1267 | Q1259-K1263 WeakPolarHBondContact O-CB 3.34Å; Q1259-K1263 PolarHBondContact O-N 2.94Å; K1263-S1266 PolarHBondContact O-N 3.37Å; K1263-S1267 WeakPolarHBondContact O-CB 3.34Å; K1263-S1267 PolarHBondContact O-N 3.23Å |
| 1264 | A | 68.5 | Low | 67.3 | Low | 54 Ų | 54 | 107 Ų | 107 | 45% | 0.446 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.7 | -37.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1260 T1262 S1267 Q1268 | A1260-A1264 WeakPolarHBondContact O-CB 3.35Å; A1260-A1264 PolarHBondContact O-N 2.84Å; T1262-A1264 VanDerWaalsContact C-N 3.25Å; T1262-A1264 PolarHBondContact O-N 3.1Å; A1264-S1267 PolarHBondContact O-N 3.43Å; A1264-Q1268 PolarHBondContact O-N 3.08Å; A1264-Q1268 VanDerWaalsContact O-N 3.11Å |
| 1265 | R | 71 | Confident | 67.4 | Low | 185 Ų | 185 | 104.2 Ų | 104.2 | 70% | 0.698 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.3 | -50.8 | 173.7 | -73.2 | -177.2 | 172.8 | 165.3 | -0.5 | 111.5 | T1262 S1267 Q1268 E1269 | T1262-R1265 WeakPolarHBondContact O-CB 3.37Å; T1262-R1265 PolarHBondContact O-N 2.56Å; T1262-R1265 VanDerWaalsContact O-N 3.09Å; R1265-S1267 PolarHBondContact O-N 3.39Å; R1265-Q1268 WeakPolarHBondContact O-CB 3.43Å; R1265-Q1268 PolarHBondContact O-N 2.69Å; R1265-E1269 PolarHBondContact O-N 3.44Å |
| 1266 | S | 58.9 | Low | 67.4 | Low | 65 Ų | 65 | 104.8 Ų | 104.8 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.7 | -29.8 | 176.5 | -57.2 | 0 | 0 | 0 | 0 | 112.5 | T1262 K1263 E1269 V1270 | T1262-S1266 PolarHBondContact O-N 3.34Å; K1263-S1266 PolarHBondContact O-N 3.37Å; S1266-E1269 PolarHBondContact O-N 2.87Å; S1266-V1270 WeakPolarHBondContact O-CB 3.49Å; S1266-V1270 VanDerWaalsContact O-CG2 3.3Å; S1266-V1270 WeakPolarHBondContact O-CG2 3.38Å; S1266-V1270 PolarHBondContact O-N 3.34Å |
| 1267 | S | 66 | Low | 67.6 | Low | 74 Ų | 74 | 104.4 Ų | 104.4 | 52% | 0.517 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.8 | -29.6 | 173.3 | -166.9 | 0 | 0 | 0 | 0 | 113 | K1263 A1264 R1265 S1271 | K1263-S1267 WeakPolarHBondContact O-CB 3.34Å; K1263-S1267 PolarHBondContact O-N 3.23Å; A1264-S1267 PolarHBondContact O-N 3.43Å; R1265-S1267 PolarHBondContact O-N 3.39Å; S1267-S1271 WeakPolarHBondContact O-CB 3.27Å; S1267-S1271 PolarHBondContact O-N 3.38Å |
| 1268 | Q | 72.3 | Confident | 67.5 | Low | 148 Ų | 148 | 105.6 Ų | 105.6 | 69% | 0.692 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.4 | -43.5 | 170.4 | -79.7 | -173.2 | -64.1 | 0 | 0 | 111.2 | A1264 R1265 S1271 E1272 | A1264-Q1268 PolarHBondContact O-N 3.08Å; A1264-Q1268 VanDerWaalsContact O-N 3.11Å; R1265-Q1268 WeakPolarHBondContact O-CB 3.43Å; R1265-Q1268 PolarHBondContact O-N 2.69Å; Q1268-S1271 PolarHBondContact O-N 3.27Å; Q1268-E1272 PolarHBondContact O-N 3.21Å |
| 1269 | E | 67.8 | Low | 67.6 | Low | 131 Ų | 131 | 104.5 Ų | 104.5 | 61% | 0.612 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.5 | -42.6 | 176.7 | -65.2 | 176.3 | 141.9 | 0 | 0 | 111.8 | R1265 S1266 E1272 L1273 | R1265-E1269 PolarHBondContact O-N 3.44Å; S1266-E1269 PolarHBondContact O-N 2.87Å; E1269-E1272 PolarHBondContact O-N 2.96Å; E1269-L1273 WeakPolarHBondContact O-CG 3.37Å; E1269-L1273 PolarHBondContact O-N 2.81Å; E1269-L1273 VanDerWaalsContact O-N 3.08Å |
| 1270 | V | 66 | Low | 67.8 | Low | 77 Ų | 77 | 100.5 Ų | 100.5 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 173.6 | 169 | 0 | 0 | 0 | 0 | 111.5 | S1266 E1272 L1273 Q1274 | S1266-V1270 WeakPolarHBondContact O-CB 3.49Å; S1266-V1270 VanDerWaalsContact O-CG2 3.3Å; S1266-V1270 WeakPolarHBondContact O-CG2 3.38Å; S1266-V1270 PolarHBondContact O-N 3.34Å; V1270-E1272 VanDerWaalsContact C-N 3.35Å; V1270-E1272 PolarHBondContact O-N 2.87Å; V1270-L1273 PolarHBondContact O-N 2.81Å; V1270-Q1274 HydrophobicContact CG1-CG 4.36Å; V1270-Q1274 WeakPolarHBondContact O-CG 3.31Å; V1270-Q1274 PolarHBondContact O-N 3.03Å |
| 1271 | S | 71.3 | Confident | 68.1 | Low | 71 Ų | 71 | 104.2 Ų | 104.2 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -34.1 | 179.1 | -163.6 | 0 | 0 | 0 | 0 | 112.9 | S1267 Q1268 R1275 | S1267-S1271 WeakPolarHBondContact O-CB 3.27Å; S1267-S1271 PolarHBondContact O-N 3.38Å; Q1268-S1271 PolarHBondContact O-N 3.27Å; S1271-R1275 PolarHBondContact O-N 2.96Å; S1271-R1275 VanDerWaalsContact O-N 3.13Å |
| 1272 | E | 71.3 | Confident | 68.1 | Low | 89 Ų | 89 | 103.9 Ų | 103.9 | 42% | 0.416 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.8 | -38.3 | 174.9 | -165.2 | 66.4 | -122.3 | 0 | 0 | 111.4 | Q1268 E1269 V1270 R1275 Q1276 | Q1268-E1272 PolarHBondContact O-N 3.21Å; E1269-E1272 PolarHBondContact O-N 2.96Å; V1270-E1272 VanDerWaalsContact C-N 3.35Å; V1270-E1272 PolarHBondContact O-N 2.87Å; E1272-R1275 PolarHBondContact O-N 2.87Å; E1272-R1275 IonicContact OE1-CZ 3.16Å; E1272-R1275 VanDerWaalsContact OE1-CZ 3.23Å; E1272-R1275 IonicContact OE1-NE 2.75Å; E1272-R1275 PolarHBondContact OE1-NE 3.39Å; E1272-R1275 IonicContact OE1-NH2 2.73Å; E1272-R1275 PolarHBondContact OE1-NH2 2.96Å; E1272-Q1276 PolarHBondContact O-N 2.73Å |
| 1273 | L | 65.6 | Low | 68.2 | Low | 109 Ų | 109 | 106.3 Ų | 106.3 | 57% | 0.571 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.4 | -36.8 | 173.7 | -71.9 | 170.2 | 0 | 0 | 0 | 112.6 | E1269 V1270 R1275 Q1276 L1277 | E1269-L1273 WeakPolarHBondContact O-CG 3.37Å; E1269-L1273 PolarHBondContact O-N 2.81Å; E1269-L1273 VanDerWaalsContact O-N 3.08Å; V1270-L1273 PolarHBondContact O-N 2.81Å; L1273-R1275 VanDerWaalsContact C-N 3.34Å; L1273-Q1276 PolarHBondContact O-N 3.27Å; L1273-L1277 PolarHBondContact O-N 2.7Å |
| 1274 | Q | 65.7 | Low | 68.1 | Low | 108 Ų | 108 | 104.1 Ų | 104.1 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 172.9 | -75.4 | -177.8 | -83.3 | 0 | 0 | 111.5 | V1270 Q1276 L1277 E1278 | V1270-Q1274 HydrophobicContact CG1-CG 4.36Å; V1270-Q1274 WeakPolarHBondContact O-CG 3.31Å; V1270-Q1274 PolarHBondContact O-N 3.03Å; Q1274-Q1276 VanDerWaalsContact C-N 3.31Å; Q1274-Q1276 PolarHBondContact O-N 3.38Å; Q1274-L1277 WeakPolarHBondContact O-CA 3.25Å; Q1274-L1277 WeakPolarHBondContact O-CB 3.43Å; Q1274-L1277 PolarHBondContact O-N 3.49Å; Q1274-L1277 VanDerWaalsContact O-N 3.07Å; Q1274-E1278 PolarHBondContact O-N 3.33Å |
| 1275 | R | 73.3 | Confident | 68.1 | Low | 132 Ų | 132 | 105 Ų | 105 | 50% | 0.498 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 175.3 | -166.7 | 172.3 | 74.3 | 93.3 | -5.4 | 112.6 | S1271 E1272 L1273 L1277 E1279 | S1271-R1275 PolarHBondContact O-N 2.96Å; S1271-R1275 VanDerWaalsContact O-N 3.13Å; E1272-R1275 PolarHBondContact O-N 2.87Å; E1272-R1275 IonicContact OE1-CZ 3.16Å; E1272-R1275 VanDerWaalsContact OE1-CZ 3.23Å; E1272-R1275 IonicContact OE1-NE 2.75Å; E1272-R1275 PolarHBondContact OE1-NE 3.39Å; E1272-R1275 IonicContact OE1-NH2 2.73Å; E1272-R1275 PolarHBondContact OE1-NH2 2.96Å; L1273-R1275 VanDerWaalsContact C-N 3.34Å; R1275-L1277 VanDerWaalsContact C-N 3.35Å; R1275-E1279 PolarHBondContact O-N 2.98Å |
| 1276 | Q | 69.7 | Low | 68 | Low | 116 Ų | 116 | 102.5 Ų | 102.5 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.7 | -31.4 | 173.9 | -67 | 179.8 | 12.3 | 0 | 0 | 112.6 | E1272 L1273 Q1274 A1280 | E1272-Q1276 PolarHBondContact O-N 2.73Å; L1273-Q1276 PolarHBondContact O-N 3.27Å; Q1274-Q1276 VanDerWaalsContact C-N 3.31Å; Q1274-Q1276 PolarHBondContact O-N 3.38Å; Q1276-A1280 PolarHBondContact O-N 3.1Å |
| 1277 | L | 63.9 | Low | 68.4 | Low | 98 Ų | 98 | 105 Ų | 105 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.3 | -44 | 173.9 | -170.3 | 67.8 | 0 | 0 | 0 | 111.5 | L1273 Q1274 R1275 E1279 A1280 E1281 | L1273-L1277 PolarHBondContact O-N 2.7Å; Q1274-L1277 WeakPolarHBondContact O-CA 3.25Å; Q1274-L1277 WeakPolarHBondContact O-CB 3.43Å; Q1274-L1277 PolarHBondContact O-N 3.49Å; Q1274-L1277 VanDerWaalsContact O-N 3.07Å; R1275-L1277 VanDerWaalsContact C-N 3.35Å; L1277-E1279 PolarHBondContact O-N 2.9Å; L1277-A1280 WeakPolarHBondContact O-CB 3.43Å; L1277-A1280 PolarHBondContact O-N 2.73Å; L1277-A1280 VanDerWaalsContact O-N 3.12Å; L1277-E1281 HydrophobicContact CG-CG 4.45Å; L1277-E1281 WeakPolarHBondContact O-CG 3.27Å; L1277-E1281 PolarHBondContact O-N 2.84Å |
| 1278 | E | 70 | Confident | 68.4 | Low | 130 Ų | 130 | 105.1 Ų | 105.1 | 61% | 0.607 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.6 | -39.7 | 177.3 | -72.1 | -179.8 | 162.8 | 0 | 0 | 112.5 | Q1274 A1280 S1282 | Q1274-E1278 PolarHBondContact O-N 3.33Å; E1278-A1280 VanDerWaalsContact C-N 3.34Å; E1278-A1280 PolarHBondContact O-N 2.65Å; E1278-S1282 VanDerWaalsContact O-CB 3.25Å; E1278-S1282 WeakPolarHBondContact O-CB 3.43Å; E1278-S1282 PolarHBondContact O-N 3.01Å |
| 1279 | E | 70.9 | Confident | 68.4 | Low | 117 Ų | 117 | 105.3 Ų | 105.3 | 55% | 0.547 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 173.2 | -75.1 | -171.9 | 160.4 | 0 | 0 | 112.2 | R1275 L1277 Q1283 | R1275-E1279 PolarHBondContact O-N 2.98Å; L1277-E1279 PolarHBondContact O-N 2.9Å; E1279-Q1283 WeakPolarHBondContact O-CG 3.45Å; E1279-Q1283 PolarHBondContact O-N 2.9Å |
| 1280 | A | 65.9 | Low | 68.6 | Low | 53 Ų | 53 | 103.7 Ų | 103.7 | 44% | 0.438 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.8 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1276 L1277 E1278 S1282 Q1283 L1284 | Q1276-A1280 PolarHBondContact O-N 3.1Å; L1277-A1280 WeakPolarHBondContact O-CB 3.43Å; L1277-A1280 PolarHBondContact O-N 2.73Å; L1277-A1280 VanDerWaalsContact O-N 3.12Å; E1278-A1280 VanDerWaalsContact C-N 3.34Å; E1278-A1280 PolarHBondContact O-N 2.65Å; A1280-S1282 VanDerWaalsContact C-N 3.32Å; A1280-S1282 PolarHBondContact O-N 3.31Å; A1280-Q1283 PolarHBondContact O-N 3.28Å; A1280-L1284 WeakPolarHBondContact O-CB 3.29Å; A1280-L1284 PolarHBondContact O-N 2.91Å |
| 1281 | E | 67.8 | Low | 68.9 | Low | 119 Ų | 119 | 106.8 Ų | 106.8 | 56% | 0.556 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.2 | -35.7 | 176.6 | -72 | -175.9 | 171.1 | 0 | 0 | 111.9 | L1277 L1284 S1285 | L1277-E1281 HydrophobicContact CG-CG 4.45Å; L1277-E1281 WeakPolarHBondContact O-CG 3.27Å; L1277-E1281 PolarHBondContact O-N 2.84Å; E1281-L1284 PolarHBondContact O-N 3.43Å; E1281-S1285 VanDerWaalsContact O-CB 3.31Å; E1281-S1285 WeakPolarHBondContact O-CB 3.46Å; E1281-S1285 PolarHBondContact O-N 2.84Å |
| 1282 | S | 71.2 | Confident | 68.8 | Low | 67 Ų | 67 | 110 Ų | 110 | 47% | 0.469 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 172 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | E1278 A1280 S1285 Q1286 | E1278-S1282 VanDerWaalsContact O-CB 3.25Å; E1278-S1282 WeakPolarHBondContact O-CB 3.43Å; E1278-S1282 PolarHBondContact O-N 3.01Å; A1280-S1282 VanDerWaalsContact C-N 3.32Å; A1280-S1282 PolarHBondContact O-N 3.31Å; S1282-S1285 WeakPolarHBondContact O-CB 3.44Å; S1282-S1285 PolarHBondContact O-N 3.39Å; S1282-Q1286 PolarHBondContact O-N 2.85Å |
| 1283 | Q | 70 | Confident | 68.8 | Low | 133 Ų | 133 | 112.2 Ų | 112.2 | 62% | 0.621 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.5 | -40.4 | 175.7 | -68.3 | -178.6 | 20.8 | 0 | 0 | 112.2 | E1279 A1280 S1285 Q1286 L1287 | E1279-Q1283 WeakPolarHBondContact O-CG 3.45Å; E1279-Q1283 PolarHBondContact O-N 2.9Å; A1280-Q1283 PolarHBondContact O-N 3.28Å; Q1283-S1285 VanDerWaalsContact C-N 3.34Å; Q1283-S1285 PolarHBondContact O-N 3.27Å; Q1283-Q1286 PolarHBondContact O-N 2.84Å; Q1283-L1287 PolarHBondContact O-N 2.78Å; Q1283-L1287 VanDerWaalsContact O-N 3.07Å |
| 1284 | L | 63.6 | Low | 68.6 | Low | 111 Ų | 111 | 112 Ų | 112 | 58% | 0.581 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.4 | -33.3 | -179.9 | -157.2 | 147.3 | 0 | 0 | 0 | 112 | A1280 E1281 N1288 | A1280-L1284 WeakPolarHBondContact O-CB 3.29Å; A1280-L1284 PolarHBondContact O-N 2.91Å; E1281-L1284 PolarHBondContact O-N 3.43Å; L1284-N1288 PolarHBondContact O-N 3.29Å |
| 1285 | S | 67.7 | Low | 68.5 | Low | 72 Ų | 72 | 110 Ų | 110 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.9 | -46.1 | 169.9 | 168.5 | 0 | 0 | 0 | 0 | 112.5 | E1281 S1282 Q1283 L1287 N1288 K1289 | E1281-S1285 VanDerWaalsContact O-CB 3.31Å; E1281-S1285 WeakPolarHBondContact O-CB 3.46Å; E1281-S1285 PolarHBondContact O-N 2.84Å; S1282-S1285 WeakPolarHBondContact O-CB 3.44Å; S1282-S1285 PolarHBondContact O-N 3.39Å; Q1283-S1285 VanDerWaalsContact C-N 3.34Å; Q1283-S1285 PolarHBondContact O-N 3.27Å; S1285-L1287 PolarHBondContact O-N 3.13Å; S1285-N1288 PolarHBondContact O-N 3.34Å; S1285-K1289 PolarHBondContact O-N 3.49Å |
| 1286 | Q | 68 | Low | 68.2 | Low | 133 Ų | 133 | 106.5 Ų | 106.5 | 62% | 0.621 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61 | -43.6 | 176 | -71 | -170.5 | 0.1 | 0 | 0 | 111.9 | S1282 Q1283 K1289 I1290 | S1282-Q1286 PolarHBondContact O-N 2.85Å; Q1283-Q1286 PolarHBondContact O-N 2.84Å; Q1286-K1289 PolarHBondContact O-N 3.15Å; Q1286-I1290 PolarHBondContact O-N 3.1Å |
| 1287 | L | 67.4 | Low | 68 | Low | 118 Ų | 118 | 106.3 Ų | 106.3 | 62% | 0.618 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.8 | -39.8 | 176.4 | -74.5 | 168.1 | 0 | 0 | 0 | 112.6 | Q1283 S1285 K1289 I1290 K1291 | Q1283-L1287 PolarHBondContact O-N 2.78Å; Q1283-L1287 VanDerWaalsContact O-N 3.07Å; S1285-L1287 PolarHBondContact O-N 3.13Å; L1287-K1289 VanDerWaalsContact C-N 3.35Å; L1287-K1289 PolarHBondContact O-N 3.43Å; L1287-I1290 PolarHBondContact O-N 2.82Å; L1287-K1291 WeakPolarHBondContact O-CB 3.47Å; L1287-K1291 PolarHBondContact O-N 3.31Å |
| 1288 | N | 67.3 | Low | 67.9 | Low | 75 Ų | 75 | 106.3 Ų | 106.3 | 40% | 0.401 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 175.4 | -98.9 | -28.7 | 0 | 0 | 0 | 112.7 | L1284 S1285 K1291 Q1292 | L1284-N1288 PolarHBondContact O-N 3.29Å; S1285-N1288 PolarHBondContact O-N 3.34Å; N1288-K1291 PolarHBondContact O-N 3.38Å; N1288-Q1292 WeakPolarHBondContact O-CG 3.49Å; N1288-Q1292 PolarHBondContact O-N 2.84Å |
| 1289 | K | 71.1 | Confident | 67.7 | Low | 152 Ų | 152 | 106 Ų | 106 | 66% | 0.661 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 173.9 | -105.7 | -179 | 176.2 | 177.1 | 0 | 112.5 | S1285 Q1286 L1287 K1291 Q1292 Q1293 | S1285-K1289 PolarHBondContact O-N 3.49Å; Q1286-K1289 PolarHBondContact O-N 3.15Å; L1287-K1289 VanDerWaalsContact C-N 3.35Å; L1287-K1289 PolarHBondContact O-N 3.43Å; K1289-K1291 VanDerWaalsContact C-N 3.33Å; K1289-K1291 PolarHBondContact O-N 2.71Å; K1289-Q1292 PolarHBondContact O-N 2.69Å; K1289-Q1293 PolarHBondContact O-N 3.15Å |
| 1290 | I | 73.1 | Confident | 67.6 | Low | 97 Ų | 97 | 107.7 Ų | 107.7 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.8 | -41.3 | 176.7 | -64.2 | 170.5 | 0 | 0 | 0 | 110.4 | Q1286 L1287 Q1293 L1294 | Q1286-I1290 PolarHBondContact O-N 3.1Å; L1287-I1290 PolarHBondContact O-N 2.82Å; I1290-Q1293 PolarHBondContact O-N 2.83Å; I1290-L1294 HydrophobicContact CG2-CD1 4.04Å; I1290-L1294 PolarHBondContact O-N 2.81Å |
| 1291 | K | 72.8 | Confident | 67.3 | Low | 143 Ų | 143 | 108 Ų | 108 | 62% | 0.622 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.7 | -44.9 | 174.7 | -178.7 | -172.7 | 173.3 | -168.4 | 0 | 112.3 | L1287 N1288 K1289 S1295 | L1287-K1291 WeakPolarHBondContact O-CB 3.47Å; L1287-K1291 PolarHBondContact O-N 3.31Å; N1288-K1291 PolarHBondContact O-N 3.38Å; K1289-K1291 VanDerWaalsContact C-N 3.33Å; K1289-K1291 PolarHBondContact O-N 2.71Å; K1291-S1295 WeakPolarHBondContact O-CB 3.22Å; K1291-S1295 PolarHBondContact O-N 2.77Å |
| 1292 | Q | 68 | Low | 67.1 | Low | 139 Ų | 139 | 107 Ų | 107 | 65% | 0.65 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.9 | -44.2 | 176.2 | -78.4 | -179.9 | -28.2 | 0 | 0 | 111.9 | N1288 K1289 L1294 S1295 A1296 | N1288-Q1292 WeakPolarHBondContact O-CG 3.49Å; N1288-Q1292 PolarHBondContact O-N 2.84Å; K1289-Q1292 PolarHBondContact O-N 2.69Å; Q1292-L1294 PolarHBondContact O-N 2.78Å; Q1292-S1295 WeakPolarHBondContact O-CB 3.38Å; Q1292-S1295 PolarHBondContact O-N 3.47Å; Q1292-A1296 PolarHBondContact O-N 3.42Å |
| 1293 | Q | 71 | Confident | 66.9 | Low | 135 Ų | 135 | 109.5 Ų | 109.5 | 63% | 0.631 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.7 | -41 | 179.8 | -168.6 | 173.4 | 8.7 | 0 | 0 | 112.4 | K1289 I1290 Q1297 | K1289-Q1293 PolarHBondContact O-N 3.15Å; I1290-Q1293 PolarHBondContact O-N 2.83Å; Q1293-Q1297 PolarHBondContact O-N 3.27Å |
| 1294 | L | 62.9 | Low | 66.6 | Low | 103 Ų | 103 | 106.8 Ų | 106.8 | 54% | 0.539 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69.4 | -33.9 | 173.3 | -72.4 | 170.2 | 0 | 0 | 0 | 112.5 | I1290 Q1292 Q1297 L1298 | I1290-L1294 HydrophobicContact CG2-CD1 4.04Å; I1290-L1294 PolarHBondContact O-N 2.81Å; Q1292-L1294 PolarHBondContact O-N 2.78Å; L1294-Q1297 PolarHBondContact O-N 2.95Å; L1294-L1298 WeakPolarHBondContact O-CB 3.43Å; L1294-L1298 PolarHBondContact O-N 2.72Å; L1294-L1298 VanDerWaalsContact O-N 3.09Å |
| 1295 | S | 63.8 | Low | 66.3 | Low | 67 Ų | 67 | 105.2 Ų | 105.2 | 47% | 0.469 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 176.4 | -160.9 | 0 | 0 | 0 | 0 | 111.9 | K1291 Q1292 L1298 E1299 | K1291-S1295 WeakPolarHBondContact O-CB 3.22Å; K1291-S1295 PolarHBondContact O-N 2.77Å; Q1292-S1295 WeakPolarHBondContact O-CB 3.38Å; Q1292-S1295 PolarHBondContact O-N 3.47Å; S1295-L1298 PolarHBondContact O-N 3.48Å; S1295-E1299 PolarHBondContact O-N 2.68Å |
| 1296 | A | 66.6 | Low | 65.8 | Low | 58 Ų | 58 | 103.5 Ų | 103.5 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q1292 L1298 E1299 E1300 | Q1292-A1296 PolarHBondContact O-N 3.42Å; A1296-L1298 PolarHBondContact O-N 3.4Å; A1296-E1299 PolarHBondContact O-N 3.13Å; A1296-E1300 WeakPolarHBondContact O-CB 3.46Å; A1296-E1300 PolarHBondContact O-N 3.09Å |
| 1297 | Q | 65.5 | Low | 65.7 | Low | 113 Ų | 113 | 100.7 Ų | 100.7 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -28.3 | 174.8 | -70.7 | -178.4 | -21.7 | 0 | 0 | 112.9 | Q1293 L1294 A1301 | Q1293-Q1297 PolarHBondContact O-N 3.27Å; L1294-Q1297 PolarHBondContact O-N 2.95Å; Q1297-A1301 WeakPolarHBondContact O-CB 3.46Å; Q1297-A1301 PolarHBondContact O-N 3.32Å |
| 1298 | L | 60.6 | Low | 65.1 | Low | 97 Ų | 97 | 100 Ų | 100 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -79.4 | -35 | 178.2 | -154.7 | 156 | 0 | 0 | 0 | 111.8 | L1294 S1295 A1296 R1302 | L1294-L1298 WeakPolarHBondContact O-CB 3.43Å; L1294-L1298 PolarHBondContact O-N 2.72Å; L1294-L1298 VanDerWaalsContact O-N 3.09Å; S1295-L1298 PolarHBondContact O-N 3.48Å; A1296-L1298 PolarHBondContact O-N 3.4Å; L1298-R1302 HydrophobicContact CD2-CG 4.25Å; L1298-R1302 WeakPolarHBondContact O-CB 3.39Å; L1298-R1302 VanDerWaalsContact O-CG 3.3Å; L1298-R1302 WeakPolarHBondContact O-CG 3.36Å; L1298-R1302 PolarHBondContact O-N 2.72Å |
| 1299 | E | 65.8 | Low | 64.7 | Low | 124 Ų | 124 | 97.9 Ų | 97.9 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.5 | -45 | 170 | -77.2 | -165.4 | 168.9 | 0 | 0 | 112.6 | S1295 A1296 A1301 R1302 H1303 | S1295-E1299 PolarHBondContact O-N 2.68Å; A1296-E1299 PolarHBondContact O-N 3.13Å; E1299-A1301 VanDerWaalsContact C-N 3.26Å; E1299-A1301 PolarHBondContact O-N 2.78Å; E1299-R1302 WeakPolarHBondContact O-CA 3.49Å; E1299-R1302 WeakPolarHBondContact O-CB 3.49Å; E1299-R1302 PolarHBondContact O-N 2.87Å; E1299-H1303 PolarHBondContact O-N 3.13Å |
| 1300 | E | 68.6 | Low | 64.2 | Low | 153 Ų | 153 | 96 Ų | 96 | 72% | 0.715 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60 | -38.3 | 178.8 | -164.9 | 170.5 | -134.8 | 0 | 0 | 111.5 | A1296 S1304 | A1296-E1300 WeakPolarHBondContact O-CB 3.46Å; A1296-E1300 PolarHBondContact O-N 3.09Å; E1300-S1304 PolarHBondContact O-N 3.47Å |
| 1301 | A | 60.1 | Low | 63.7 | Low | 60 Ų | 60 | 97.8 Ų | 97.8 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.7 | -24.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q1297 E1299 L1305 | Q1297-A1301 WeakPolarHBondContact O-CB 3.46Å; Q1297-A1301 PolarHBondContact O-N 3.32Å; E1299-A1301 VanDerWaalsContact C-N 3.26Å; E1299-A1301 PolarHBondContact O-N 2.78Å; A1301-L1305 WeakPolarHBondContact O-CB 3.42Å |
| 1302 | R | 64.2 | Low | 62.7 | Low | 97 Ų | 97 | 93.3 Ų | 93.3 | 37% | 0.366 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -73.6 | -43.9 | 170.4 | -82.3 | 172.4 | 170.3 | -166.1 | -4.7 | 111.2 | L1298 E1299 S1304 L1305 E1306 | L1298-R1302 HydrophobicContact CD2-CG 4.25Å; L1298-R1302 WeakPolarHBondContact O-CB 3.39Å; L1298-R1302 VanDerWaalsContact O-CG 3.3Å; L1298-R1302 WeakPolarHBondContact O-CG 3.36Å; L1298-R1302 PolarHBondContact O-N 2.72Å; E1299-R1302 WeakPolarHBondContact O-CA 3.49Å; E1299-R1302 WeakPolarHBondContact O-CB 3.49Å; E1299-R1302 PolarHBondContact O-N 2.87Å; R1302-S1304 PolarHBondContact O-N 3.06Å; R1302-L1305 WeakPolarHBondContact O-CB 3.27Å; R1302-L1305 PolarHBondContact O-N 3.11Å; R1302-L1305 VanDerWaalsContact O-N 3.15Å; R1302-E1306 WeakPolarHBondContact O-CG 3.31Å; R1302-E1306 PolarHBondContact O-N 2.98Å |
| 1303 | H | 67.8 | Low | 62.2 | Low | 119 Ų | 119 | 89.2 Ų | 89.2 | 55% | 0.551 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.1 | -41.2 | -172.9 | -147.2 | -24.3 | 0 | 0 | 0 | 112 | E1299 E1306 D1307 | E1299-H1303 PolarHBondContact O-N 3.13Å; H1303-E1306 PolarHBondContact O-N 3.39Å; H1303-D1307 PolarHBondContact O-N 2.9Å |
| 1304 | S | 62 | Low | 61.9 | Low | 77 Ų | 77 | 88.4 Ų | 88.4 | 54% | 0.538 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.6 | -33.2 | 174.7 | 62.1 | 0 | 0 | 0 | 0 | 113.6 | E1300 R1302 E1308 | E1300-S1304 PolarHBondContact O-N 3.47Å; R1302-S1304 PolarHBondContact O-N 3.06Å; S1304-E1308 PolarHBondContact O-N 3.1Å; S1304-E1308 VanDerWaalsContact O-N 3.14Å |
| 1305 | L | 58.7 | Low | 61.3 | Low | 77 Ų | 77 | 85.3 Ų | 85.3 | 40% | 0.403 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.1 | -35.1 | 173.8 | -172.9 | 72.6 | 0 | 0 | 0 | 112 | A1301 R1302 S1309 L1428 | A1301-L1305 WeakPolarHBondContact O-CB 3.42Å; R1302-L1305 WeakPolarHBondContact O-CB 3.27Å; R1302-L1305 PolarHBondContact O-N 3.11Å; R1302-L1305 VanDerWaalsContact O-N 3.15Å; L1305-S1309 WeakPolarHBondContact O-CB 3.39Å; L1305-S1309 PolarHBondContact O-N 2.99Å; L1305-L1428 HydrophobicContact CD1-CD1 4.5Å |
| 1306 | E | 57.5 | Low | 61 | Low | 37 Ų | 37 | 84.6 Ų | 84.6 | 17% | 0.173 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -69.7 | -42 | 178.7 | -76.4 | 174.6 | -148.4 | 0 | 0 | 112 | K739 R1302 H1303 S1309 R1310 | K739-E1306 HydrophobicContact CD-CG 4.06Å; K739-E1306 WeakPolarHBondContact CD-OE1 3.42Å; K739-E1306 WeakPolarHBondContact CD-OE2 3.41Å; K739-E1306 IonicContact NZ-OE1 3.23Å; K739-E1306 PolarHBondContact NZ-OE1 3.02Å; K739-E1306 IonicContact NZ-OE2 3.46Å; K739-E1306 PolarHBondContact NZ-OE2 3.36Å; R1302-E1306 WeakPolarHBondContact O-CG 3.31Å; R1302-E1306 PolarHBondContact O-N 2.98Å; H1303-E1306 PolarHBondContact O-N 3.39Å; E1306-S1309 PolarHBondContact O-N 2.97Å; E1306-S1309 VanDerWaalsContact O-N 3.17Å; E1306-S1309 PolarHBondContact O-OG 3.24Å; E1306-R1310 WeakPolarHBondContact O-CG 3.42Å; E1306-R1310 PolarHBondContact O-N 2.77Å |
| 1307 | D | 65.1 | Low | 60.8 | Low | 74 Ų | 74 | 83.5 Ų | 83.5 | 40% | 0.396 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.2 | -37.7 | 176.3 | -73.5 | -22.9 | 0 | 0 | 0 | 112.5 | H1303 S1309 R1310 M1311 | H1303-D1307 PolarHBondContact O-N 2.9Å; D1307-S1309 VanDerWaalsContact C-N 3.29Å; D1307-S1309 PolarHBondContact O-N 2.83Å; D1307-R1310 PolarHBondContact O-N 3.09Å; D1307-R1310 IonicContact OD1-NH1 2.68Å; D1307-M1311 PolarHBondContact O-N 3Å |
| 1308 | E | 55.1 | Low | 60.6 | Low | 104 Ų | 104 | 81.6 Ų | 81.6 | 49% | 0.486 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -56.4 | -44.3 | 166.1 | -84.9 | -156.8 | 135.1 | 0 | 0 | 111.2 | S1304 R1310 K1312 | S1304-E1308 PolarHBondContact O-N 3.1Å; S1304-E1308 VanDerWaalsContact O-N 3.14Å; E1308-R1310 PolarHBondContact O-N 3.01Å; E1308-K1312 WeakPolarHBondContact O-CB 3.1Å; E1308-K1312 PolarHBondContact O-N 3.32Å; E1308-K1312 VanDerWaalsContact O-N 3.09Å |
| 1309 | S | 57.9 | Low | 60.3 | Low | 30 Ų | 30 | 77.6 Ų | 77.6 | 21% | 0.21 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.2 | -35.8 | -179 | 83.1 | 0 | 0 | 0 | 0 | 113.1 | L1305 E1306 D1307 K1312 A1313 | L1305-S1309 WeakPolarHBondContact O-CB 3.39Å; L1305-S1309 PolarHBondContact O-N 2.99Å; E1306-S1309 PolarHBondContact O-N 2.97Å; E1306-S1309 VanDerWaalsContact O-N 3.17Å; E1306-S1309 PolarHBondContact O-OG 3.24Å; D1307-S1309 VanDerWaalsContact C-N 3.29Å; D1307-S1309 PolarHBondContact O-N 2.83Å; S1309-K1312 PolarHBondContact O-N 2.98Å; S1309-A1313 WeakPolarHBondContact O-CB 3.22Å; S1309-A1313 PolarHBondContact O-N 3.43Å |
| 1310 | R | 61 | Low | 60.1 | Low | 111 Ų | 111 | 78.9 Ų | 78.9 | 42% | 0.419 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.8 | -44.5 | 179.5 | -81.4 | 173.3 | 161.6 | 156.1 | 1.2 | 112.6 | E1306 D1307 E1308 K1314 | E1306-R1310 WeakPolarHBondContact O-CG 3.42Å; E1306-R1310 PolarHBondContact O-N 2.77Å; D1307-R1310 PolarHBondContact O-N 3.09Å; D1307-R1310 IonicContact OD1-NH1 2.68Å; E1308-R1310 PolarHBondContact O-N 3.01Å; R1310-K1314 PolarHBondContact O-N 3.06Å |
| 1311 | M | 62.3 | Low | 59.8 | Low | 135 Ų | 135 | 75.9 Ų | 75.9 | 67% | 0.665 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.8 | -50.8 | 172.9 | -64.7 | -165.3 | -172.4 | 0 | 0 | 110.3 | D1307 A1313 K1314 L1315 | D1307-M1311 PolarHBondContact O-N 3Å; M1311-A1313 VanDerWaalsContact C-N 3.27Å; M1311-A1313 PolarHBondContact O-N 3.05Å; M1311-K1314 PolarHBondContact O-N 3.33Å; M1311-L1315 HydrophobicContact CB-CD1 4.21Å; M1311-L1315 WeakPolarHBondContact O-CD1 3.34Å; M1311-L1315 WeakPolarHBondContact O-CG 3.32Å; M1311-L1315 PolarHBondContact O-N 3.19Å |
| 1312 | K | 51.5 | Low | 59.6 | Low | 49 Ų | 49 | 74.2 Ų | 74.2 | 21% | 0.213 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -54 | -35.3 | -179.7 | 171.9 | 174.7 | 175.7 | 169.3 | 0 | 114.5 | E1308 S1309 N1316 A1421 | E1308-K1312 WeakPolarHBondContact O-CB 3.1Å; E1308-K1312 PolarHBondContact O-N 3.32Å; E1308-K1312 VanDerWaalsContact O-N 3.09Å; S1309-K1312 PolarHBondContact O-N 2.98Å; K1312-N1316 WeakPolarHBondContact O-CB 3.4Å; K1312-N1316 PolarHBondContact O-N 3.1Å; K1312-N1316 PolarHBondContact O-ND2 2.93Å; K1312-A1421 HydrophobicContact CD-CB 3.97Å; K1312-A1421 WeakPolarHBondContact CE-O 3.41Å; K1312-A1421 HydrophobicContact CG-CB 3.69Å; K1312-A1421 PolarHBondContact NZ-O 2.86Å |
| 1313 | A | 59.2 | Low | 59.5 | Low | 54 Ų | 54 | 71.6 Ų | 71.6 | 45% | 0.446 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -73.7 | -37.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1309 M1311 | S1309-A1313 WeakPolarHBondContact O-CB 3.22Å; S1309-A1313 PolarHBondContact O-N 3.43Å; M1311-A1313 VanDerWaalsContact C-N 3.27Å; M1311-A1313 PolarHBondContact O-N 3.05Å |
| 1314 | K | 63.1 | Low | 59.4 | Low | 117 Ų | 117 | 69.3 Ų | 69.3 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.8 | -51 | 176.8 | -173.7 | 178.8 | 176.1 | -75.8 | 0 | 111.1 | R1310 M1311 N1316 G1317 E1318 | R1310-K1314 PolarHBondContact O-N 3.06Å; M1311-K1314 PolarHBondContact O-N 3.33Å; K1314-N1316 VanDerWaalsContact C-N 3.34Å; K1314-N1316 PolarHBondContact O-N 2.77Å; K1314-G1317 PolarHBondContact O-N 3.31Å; K1314-E1318 WeakPolarHBondContact CE-OE1 3.44Å; K1314-E1318 IonicContact NZ-OE1 3.93Å; K1314-E1318 PolarHBondContact NZ-OE1 2.66Å; K1314-E1318 IonicContact NZ-OE2 2.73Å; K1314-E1318 PolarHBondContact NZ-OE2 3.37Å; K1314-E1318 PolarHBondContact O-N 3.37Å |
| 1315 | L | 51.3 | Low | 59.4 | Low | 39 Ų | 39 | 69.2 Ų | 69.2 | 20% | 0.204 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -53.9 | -48.1 | 177.6 | -66.7 | 154.2 | 0 | 0 | 0 | 111.2 | M1311 G1317 E1318 V1319 L1414 D1417 | M1311-L1315 HydrophobicContact CB-CD1 4.21Å; M1311-L1315 WeakPolarHBondContact O-CD1 3.34Å; M1311-L1315 WeakPolarHBondContact O-CG 3.32Å; M1311-L1315 PolarHBondContact O-N 3.19Å; L1315-G1317 PolarHBondContact O-N 2.67Å; L1315-G1317 VanDerWaalsContact O-N 3.09Å; L1315-E1318 PolarHBondContact O-N 3.17Å; L1315-V1319 WeakPolarHBondContact O-CG2 3.48Å; L1315-V1319 PolarHBondContact O-N 2.81Å; L1315-L1414 HydrophobicContact CB-CD2 3.89Å; L1315-L1414 HydrophobicContact CD2-CD2 3.47Å; L1315-L1414 VanDerWaalsContact CD2-CD2 3.47Å; L1315-L1414 HydrophobicContact CG-CD2 4.27Å; L1315-L1414 WeakPolarHBondContact O-CD2 3.46Å; L1315-D1417 HydrophobicContact CD1-CB 4.04Å; L1315-D1417 WeakPolarHBondContact CD1-OD2 3.48Å |
| 1316 | N | 58.3 | Low | 59.4 | Low | 51 Ų | 51 | 65.5 Ų | 65.5 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.4 | -26.3 | 177.4 | -98.4 | -88.5 | 0 | 0 | 0 | 115 | K1312 K1314 | K1312-N1316 WeakPolarHBondContact O-CB 3.4Å; K1312-N1316 PolarHBondContact O-N 3.1Å; K1312-N1316 PolarHBondContact O-ND2 2.93Å; K1314-N1316 VanDerWaalsContact C-N 3.34Å; K1314-N1316 PolarHBondContact O-N 2.77Å |
| 1317 | G | 62.2 | Low | 59.7 | Low | 35 Ų | 35 | 64 Ų | 64 | 36% | 0.361 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -79.7 | -38.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1314 L1315 | K1314-G1317 PolarHBondContact O-N 3.31Å; L1315-G1317 PolarHBondContact O-N 2.67Å; L1315-G1317 VanDerWaalsContact O-N 3.09Å |
| 1318 | E | 60.6 | Low | 59.6 | Low | 74 Ų | 74 | 62.8 Ų | 62.8 | 35% | 0.346 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71 | -40.9 | -177.7 | -70.8 | 169.3 | 157.8 | 0 | 0 | 111.1 | K1314 L1315 R1320 N1321 L1322 L1414 | K1314-E1318 WeakPolarHBondContact CE-OE1 3.44Å; K1314-E1318 IonicContact NZ-OE1 3.93Å; K1314-E1318 PolarHBondContact NZ-OE1 2.66Å; K1314-E1318 IonicContact NZ-OE2 2.73Å; K1314-E1318 PolarHBondContact NZ-OE2 3.37Å; K1314-E1318 PolarHBondContact O-N 3.37Å; L1315-E1318 PolarHBondContact O-N 3.17Å; E1318-R1320 VanDerWaalsContact C-N 3.34Å; E1318-R1320 PolarHBondContact O-N 3.34Å; E1318-N1321 PolarHBondContact O-N 3.39Å; E1318-L1322 HydrophobicContact CB-CD1 4.24Å; E1318-L1322 WeakPolarHBondContact O-CB 3.38Å; E1318-L1322 WeakPolarHBondContact O-CD1 3.47Å; E1318-L1322 VanDerWaalsContact O-CG 3.25Å; E1318-L1322 WeakPolarHBondContact O-CG 3.41Å; E1318-L1322 PolarHBondContact O-N 2.82Å; E1318-L1322 VanDerWaalsContact O-N 3.1Å; E1318-L1414 HydrophobicContact CB-CD1 4.04Å; E1318-L1414 HydrophobicContact CB-CD2 3.99Å |
| 1319 | V | 53.6 | Low | 59.8 | Low | 13 Ų | 13 | 59.5 Ų | 59.5 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -53.3 | -49 | -178.4 | -158.1 | 0 | 0 | 0 | 0 | 112.5 | L1315 L1322 T1323 L1411 L1414 M1415 V1418 | L1315-V1319 WeakPolarHBondContact O-CG2 3.48Å; L1315-V1319 PolarHBondContact O-N 2.81Å; V1319-L1322 PolarHBondContact O-N 3.46Å; V1319-T1323 PolarHBondContact O-N 2.98Å; V1319-T1323 PolarHBondContact O-OG1 3.29Å; V1319-L1411 HydrophobicContact CG1-CD1 3.87Å; V1319-L1414 HydrophobicContact CB-CB 4.06Å; V1319-L1414 HydrophobicContact CG1-CB 3.93Å; V1319-L1414 HydrophobicContact CG2-CB 3.63Å; V1319-L1414 HydrophobicContact CG2-CD2 4.05Å; V1319-L1414 HydrophobicContact CG2-CG 4.32Å; V1319-M1415 HydrophobicContact CG1-CG 4.37Å; V1319-V1418 HydrophobicContact CB-CG2 4.46Å; V1319-V1418 HydrophobicContact CG2-CG2 3.37Å |
| 1320 | R | 61.7 | Low | 60.2 | Low | 150 Ų | 150 | 61.2 Ų | 61.2 | 57% | 0.566 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -71.5 | -36.9 | -168.6 | -83 | -178.8 | 162.1 | 141.6 | -4.6 | 112.9 | E1318 S1324 | E1318-R1320 VanDerWaalsContact C-N 3.34Å; E1318-R1320 PolarHBondContact O-N 3.34Å; R1320-S1324 PolarHBondContact O-N 3.47Å |
| 1321 | N | 61.9 | Low | 60.4 | Low | 90 Ų | 90 | 59.3 Ų | 59.3 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.5 | -53 | 171.8 | -74.4 | 28.6 | 0 | 0 | 0 | 109.1 | E1318 T1323 S1324 D1325 | E1318-N1321 PolarHBondContact O-N 3.39Å; N1321-T1323 PolarHBondContact O-N 3.39Å; N1321-T1323 VanDerWaalsContact O-N 3.15Å; N1321-S1324 WeakPolarHBondContact O-CB 3.41Å; N1321-S1324 PolarHBondContact O-N 3.14Å; N1321-D1325 VanDerWaalsContact O-CG 3.27Å; N1321-D1325 PolarHBondContact O-N 2.83Å |
| 1322 | L | 57.8 | Low | 60.5 | Low | 25 Ų | 25 | 55.8 Ų | 55.8 | 13% | 0.131 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.3 | -21.8 | -175.9 | -63.7 | 167.2 | 0 | 0 | 0 | 113.8 | E1318 V1319 L1326 L1407 E1410 L1414 | E1318-L1322 HydrophobicContact CB-CD1 4.24Å; E1318-L1322 WeakPolarHBondContact O-CB 3.38Å; E1318-L1322 WeakPolarHBondContact O-CD1 3.47Å; E1318-L1322 VanDerWaalsContact O-CG 3.25Å; E1318-L1322 WeakPolarHBondContact O-CG 3.41Å; E1318-L1322 PolarHBondContact O-N 2.82Å; E1318-L1322 VanDerWaalsContact O-N 3.1Å; V1319-L1322 PolarHBondContact O-N 3.46Å; L1322-L1326 VanDerWaalsContact O-CB 3.26Å; L1322-L1326 WeakPolarHBondContact O-CB 3.35Å; L1322-L1326 WeakPolarHBondContact O-CG 3.06Å; L1322-L1326 PolarHBondContact O-N 3.31Å; L1322-L1326 VanDerWaalsContact O-N 3.17Å; L1322-L1407 HydrophobicContact CD2-CD2 3.31Å; L1322-E1410 HydrophobicContact CD1-CB 3.95Å; L1322-L1414 HydrophobicContact CD1-CD1 3.31Å |
| 1323 | T | 61 | Low | 61 | Low | 43 Ų | 43 | 53.9 Ų | 53.9 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -70.4 | -48 | 169.1 | -40.5 | 0 | 0 | 0 | 0 | 111.1 | V1319 N1321 L1326 D1327 L1411 | V1319-T1323 PolarHBondContact O-N 2.98Å; V1319-T1323 PolarHBondContact O-OG1 3.29Å; N1321-T1323 PolarHBondContact O-N 3.39Å; N1321-T1323 VanDerWaalsContact O-N 3.15Å; T1323-L1326 WeakPolarHBondContact O-CB 3.13Å; T1323-L1326 PolarHBondContact O-N 3.42Å; T1323-D1327 PolarHBondContact O-N 3.11Å; T1323-D1327 VanDerWaalsContact O-N 3.15Å; T1323-L1411 HydrophobicContact CG2-CD1 4.39Å; T1323-L1411 VanDerWaalsContact OG1-CD1 3.28Å; T1323-L1411 WeakPolarHBondContact OG1-CD1 3.3Å |
| 1324 | S | 65.1 | Low | 61.5 | Low | 71 Ų | 71 | 58 Ų | 58 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.7 | -36.9 | -178.6 | -164.4 | 0 | 0 | 0 | 0 | 112.1 | R1320 N1321 L1326 S1328 | R1320-S1324 PolarHBondContact O-N 3.47Å; N1321-S1324 WeakPolarHBondContact O-CB 3.41Å; N1321-S1324 PolarHBondContact O-N 3.14Å; S1324-L1326 VanDerWaalsContact C-N 3.3Å; S1324-S1328 PolarHBondContact O-N 3.42Å; S1324-S1328 PolarHBondContact O-OG 3.05Å |
| 1325 | D | 62.2 | Low | 61.6 | Low | 74 Ų | 74 | 58.8 Ų | 58.8 | 40% | 0.396 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.2 | -35.7 | 173 | -61.8 | -27.5 | 0 | 0 | 0 | 110.5 | N1321 S1328 L1329 L1407 | N1321-D1325 VanDerWaalsContact O-CG 3.27Å; N1321-D1325 PolarHBondContact O-N 2.83Å; D1325-S1328 PolarHBondContact O-OG 3.38Å; D1325-L1329 WeakPolarHBondContact O-CB 3.01Å; D1325-L1329 VanDerWaalsContact O-CD1 3.3Å; D1325-L1329 WeakPolarHBondContact O-CD1 3.45Å; D1325-L1329 WeakPolarHBondContact O-CG 3.4Å; D1325-L1329 PolarHBondContact O-N 2.99Å; D1325-L1329 VanDerWaalsContact O-N 3.14Å; D1325-L1407 HydrophobicContact CB-CD1 4.26Å |
| 1326 | L | 58.3 | Low | 62.2 | Low | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.3 | -50.2 | -179.7 | -102.5 | 169 | 0 | 0 | 0 | 113.7 | L1322 T1323 S1324 L1329 R1330 K1404 L1407 Q1408 L1411 | L1322-L1326 VanDerWaalsContact O-CB 3.26Å; L1322-L1326 WeakPolarHBondContact O-CB 3.35Å; L1322-L1326 WeakPolarHBondContact O-CG 3.06Å; L1322-L1326 PolarHBondContact O-N 3.31Å; L1322-L1326 VanDerWaalsContact O-N 3.17Å; T1323-L1326 WeakPolarHBondContact O-CB 3.13Å; T1323-L1326 PolarHBondContact O-N 3.42Å; S1324-L1326 VanDerWaalsContact C-N 3.3Å; L1326-L1329 CarbonylContact O-C 3.44Å; L1326-L1329 WeakPolarHBondContact O-CA 3.31Å; L1326-L1329 PolarHBondContact O-N 3.26Å; L1326-R1330 WeakPolarHBondContact O-CG 3.49Å; L1326-R1330 PolarHBondContact O-N 2.96Å; L1326-K1404 HydrophobicContact CD2-CG 3.95Å; L1326-L1407 HydrophobicContact CD1-CB 4.1Å; L1326-L1407 HydrophobicContact CD2-CB 3.89Å; L1326-L1407 HydrophobicContact CG-CB 3.64Å; L1326-L1407 HydrophobicContact CG-CD1 4.35Å; L1326-Q1408 HydrophobicContact CD1-CG 4.05Å; L1326-Q1408 HydrophobicContact CD2-CG 3.68Å; L1326-L1411 HydrophobicContact CD1-CB 3.78Å; L1326-L1411 HydrophobicContact CD1-CD2 3.56Å; L1326-L1411 HydrophobicContact CD1-CG 4.17Å |
| 1327 | D | 63.7 | Low | 62.6 | Low | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.032 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -76 | -33.4 | -169.9 | -67.3 | -26.3 | 0 | 0 | 0 | 111 | K67 D68 T1323 L1329 R1330 E1331 | K67-D1327 IonicContact NZ-OD2 2.7Å; K67-D1327 PolarHBondContact NZ-OD2 2.95Å; D68-D1327 WeakPolarHBondContact OD1-CB 3.43Å; D68-D1327 WeakPolarHBondContact OD2-CB 2.98Å; T1323-D1327 PolarHBondContact O-N 3.11Å; T1323-D1327 VanDerWaalsContact O-N 3.15Å; D1327-L1329 VanDerWaalsContact C-N 3.34Å; D1327-L1329 PolarHBondContact O-N 2.97Å; D1327-R1330 WeakPolarHBondContact O-CA 3.41Å; D1327-R1330 VanDerWaalsContact O-CB 3.31Å; D1327-R1330 WeakPolarHBondContact O-CB 3.37Å; D1327-R1330 PolarHBondContact O-N 3.48Å; D1327-R1330 IonicContact OD1-CZ 2.79Å; D1327-R1330 IonicContact OD1-NE 2.64Å; D1327-R1330 PolarHBondContact OD1-NE 3.13Å; D1327-R1330 VanDerWaalsContact OD1-NE 3.11Å; D1327-R1330 IonicContact OD1-NH2 2.73Å; D1327-E1331 PolarHBondContact O-N 3.13Å; D1327-E1331 VanDerWaalsContact O-N 3.1Å |
| 1328 | S | 63.8 | Low | 62.9 | Low | 48 Ų | 48 | 62.3 Ų | 62.3 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.8 | -32.4 | 165 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | S1324 D1325 R1330 T1332 | S1324-S1328 PolarHBondContact O-N 3.42Å; S1324-S1328 PolarHBondContact O-OG 3.05Å; D1325-S1328 PolarHBondContact O-OG 3.38Å; S1328-R1330 VanDerWaalsContact C-N 3.28Å; S1328-T1332 PolarHBondContact O-N 3.41Å; S1328-T1332 PolarHBondContact O-OG1 3.38Å |
| 1329 | L | 60 | Low | 63.1 | Low | 35 Ų | 35 | 61 Ų | 61 | 18% | 0.183 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -75.8 | -10.1 | 168.4 | -77.1 | 168.8 | 0 | 0 | 0 | 113.8 | D1325 L1326 D1327 T1332 L1333 L1400 T1403 L1407 | D1325-L1329 WeakPolarHBondContact O-CB 3.01Å; D1325-L1329 VanDerWaalsContact O-CD1 3.3Å; D1325-L1329 WeakPolarHBondContact O-CD1 3.45Å; D1325-L1329 WeakPolarHBondContact O-CG 3.4Å; D1325-L1329 PolarHBondContact O-N 2.99Å; D1325-L1329 VanDerWaalsContact O-N 3.14Å; L1326-L1329 CarbonylContact O-C 3.44Å; L1326-L1329 WeakPolarHBondContact O-CA 3.31Å; L1326-L1329 PolarHBondContact O-N 3.26Å; D1327-L1329 VanDerWaalsContact C-N 3.34Å; D1327-L1329 PolarHBondContact O-N 2.97Å; L1329-T1332 WeakPolarHBondContact CA-OG1 3.45Å; L1329-L1333 WeakPolarHBondContact O-CB 3.43Å; L1329-L1333 PolarHBondContact O-N 2.89Å; L1329-L1400 HydrophobicContact CD2-CD2 3.49Å; L1329-L1400 VanDerWaalsContact CD2-CD2 3.49Å; L1329-T1403 HydrophobicContact CD1-CG2 3.7Å; L1329-L1407 HydrophobicContact CD1-CD1 3.34Å |
| 1330 | R | 65.4 | Low | 63.9 | Low | 65 Ų | 65 | 63.8 Ų | 63.8 | 25% | 0.245 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -81.2 | -47.3 | 166.3 | -64.7 | -176.1 | -167.5 | -159 | 6 | 110.8 | D51 L1326 D1327 S1328 T1332 L1333 E1334 | D51-R1330 IonicContact OD1-CZ 3.18Å; D51-R1330 IonicContact OD1-NH1 2.72Å; D51-R1330 PolarHBondContact OD1-NH1 2.8Å; D51-R1330 WeakPolarHBondContact OD2-CD 3.35Å; D51-R1330 IonicContact OD2-CZ 3.9Å; D51-R1330 IonicContact OD2-NE 2.79Å; D51-R1330 IonicContact OD2-NH1 3.27Å; D51-R1330 PolarHBondContact OD2-NH1 3.32Å; L1326-R1330 WeakPolarHBondContact O-CG 3.49Å; L1326-R1330 PolarHBondContact O-N 2.96Å; D1327-R1330 WeakPolarHBondContact O-CA 3.41Å; D1327-R1330 VanDerWaalsContact O-CB 3.31Å; D1327-R1330 WeakPolarHBondContact O-CB 3.37Å; D1327-R1330 PolarHBondContact O-N 3.48Å; D1327-R1330 IonicContact OD1-CZ 2.79Å; D1327-R1330 IonicContact OD1-NE 2.64Å; D1327-R1330 PolarHBondContact OD1-NE 3.13Å; D1327-R1330 VanDerWaalsContact OD1-NE 3.11Å; D1327-R1330 IonicContact OD1-NH2 2.73Å; S1328-R1330 VanDerWaalsContact C-N 3.28Å; R1330-T1332 PolarHBondContact O-N 2.83Å; R1330-L1333 PolarHBondContact O-N 3.31Å; R1330-L1333 VanDerWaalsContact O-N 3.16Å; R1330-E1334 PolarHBondContact O-N 3.44Å |
| 1331 | E | 65.8 | Low | 64.3 | Low | 71 Ų | 71 | 57.8 Ų | 57.8 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -52.7 | -55.4 | 177.1 | -69.4 | -168.8 | 107.1 | 0 | 0 | 111.4 | K66 D1327 L1333 E1334 E1335 | K66-E1331 HydrophobicContact CD-CG 4.26Å; K66-E1331 WeakPolarHBondContact CD-OE1 3.42Å; K66-E1331 WeakPolarHBondContact CE-OE1 3.4Å; K66-E1331 IonicContact NZ-OE1 2.69Å; K66-E1331 PolarHBondContact NZ-OE1 3.09Å; D1327-E1331 PolarHBondContact O-N 3.13Å; D1327-E1331 VanDerWaalsContact O-N 3.1Å; E1331-L1333 VanDerWaalsContact C-N 3.25Å; E1331-L1333 PolarHBondContact O-N 3.24Å; E1331-E1334 PolarHBondContact O-N 3.46Å; E1331-E1334 VanDerWaalsContact O-N 3.11Å; E1331-E1335 PolarHBondContact O-N 3.27Å |
| 1332 | T | 63.6 | Low | 64.7 | Low | 61 Ų | 61 | 57 Ų | 57 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.7 | -27 | -178.2 | 48.6 | 0 | 0 | 0 | 0 | 113 | S1328 L1329 R1330 E1336 | S1328-T1332 PolarHBondContact O-N 3.41Å; S1328-T1332 PolarHBondContact O-OG1 3.38Å; L1329-T1332 WeakPolarHBondContact CA-OG1 3.45Å; R1330-T1332 PolarHBondContact O-N 2.83Å; T1332-E1336 WeakPolarHBondContact O-CB 3.33Å; T1332-E1336 PolarHBondContact O-N 3.13Å |
| 1333 | L | 63.4 | Low | 65.2 | Low | 9 Ų | 9 | 57.3 Ų | 57.3 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.9 | -38.9 | 171.7 | -177.5 | 67 | 0 | 0 | 0 | 112.2 | L1329 R1330 E1331 Q1337 L1400 E1401 K1404 | L1329-L1333 WeakPolarHBondContact O-CB 3.43Å; L1329-L1333 PolarHBondContact O-N 2.89Å; R1330-L1333 PolarHBondContact O-N 3.31Å; R1330-L1333 VanDerWaalsContact O-N 3.16Å; E1331-L1333 VanDerWaalsContact C-N 3.25Å; E1331-L1333 PolarHBondContact O-N 3.24Å; L1333-Q1337 HydrophobicContact CD1-CG 4.26Å; L1333-Q1337 HydrophobicContact CG-CG 4.42Å; L1333-Q1337 WeakPolarHBondContact O-CB 3.27Å; L1333-Q1337 VanDerWaalsContact O-CG 3.22Å; L1333-Q1337 WeakPolarHBondContact O-CG 3.3Å; L1333-Q1337 PolarHBondContact O-N 3.1Å; L1333-L1400 HydrophobicContact CD1-CB 4.04Å; L1333-E1401 HydrophobicContact CD1-CG 4.26Å; L1333-K1404 HydrophobicContact CD2-CD 3.67Å |
| 1334 | E | 68.1 | Low | 65.6 | Low | 142 Ų | 142 | 60 Ų | 60 | 66% | 0.664 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -68.5 | -39.2 | 176.2 | -71.6 | -162.4 | 152.3 | 0 | 0 | 111.8 | R1330 E1331 Q1337 S1338 | R1330-E1334 PolarHBondContact O-N 3.44Å; E1331-E1334 PolarHBondContact O-N 3.46Å; E1331-E1334 VanDerWaalsContact O-N 3.11Å; E1334-Q1337 PolarHBondContact O-N 2.74Å; E1334-S1338 WeakPolarHBondContact O-CB 3.17Å; E1334-S1338 PolarHBondContact O-N 3.19Å |
| 1335 | E | 66.2 | Low | 66 | Low | 133 Ų | 133 | 64.7 Ų | 64.7 | 62% | 0.621 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.5 | -49 | 174.7 | -69.8 | -166.1 | 152.2 | 0 | 0 | 112.2 | E1331 Q1337 S1338 A1339 | E1331-E1335 PolarHBondContact O-N 3.27Å; E1335-Q1337 PolarHBondContact O-N 2.7Å; E1335-S1338 WeakPolarHBondContact O-CB 3.43Å; E1335-S1338 PolarHBondContact O-N 2.98Å; E1335-A1339 WeakPolarHBondContact O-CB 3.32Å; E1335-A1339 PolarHBondContact O-N 3.35Å |
| 1336 | E | 63.2 | Low | 66.3 | Low | 41 Ų | 41 | 66.2 Ų | 66.2 | 19% | 0.192 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68 | -31.4 | 175.9 | -78.2 | -84.3 | -163.7 | 0 | 0 | 112.5 | T1332 K1340 K1396 | T1332-E1336 WeakPolarHBondContact O-CB 3.33Å; T1332-E1336 PolarHBondContact O-N 3.13Å; E1336-K1340 WeakPolarHBondContact O-CB 3.32Å; E1336-K1340 PolarHBondContact O-N 3.48Å; E1336-K1396 WeakPolarHBondContact OE1-CD 3.36Å; E1336-K1396 WeakPolarHBondContact OE1-CE 3.32Å; E1336-K1396 IonicContact OE1-NZ 2.79Å; E1336-K1396 PolarHBondContact OE1-NZ 2.88Å |
| 1337 | Q | 66.4 | Low | 66.7 | Low | 84 Ų | 84 | 67.2 Ų | 67.2 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.3 | -36.3 | 171.3 | -79.2 | -168.2 | 14.5 | 0 | 0 | 112.3 | L1333 E1334 E1335 G1341 | L1333-Q1337 HydrophobicContact CD1-CG 4.26Å; L1333-Q1337 HydrophobicContact CG-CG 4.42Å; L1333-Q1337 WeakPolarHBondContact O-CB 3.27Å; L1333-Q1337 VanDerWaalsContact O-CG 3.22Å; L1333-Q1337 WeakPolarHBondContact O-CG 3.3Å; L1333-Q1337 PolarHBondContact O-N 3.1Å; E1334-Q1337 PolarHBondContact O-N 2.74Å; E1335-Q1337 PolarHBondContact O-N 2.7Å; Q1337-G1341 PolarHBondContact O-N 2.98Å |
| 1338 | S | 69.7 | Low | 67.1 | Low | 74 Ų | 74 | 73.6 Ų | 73.6 | 52% | 0.517 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66 | -49.3 | 173.5 | -168.9 | 0 | 0 | 0 | 0 | 111.1 | E1334 E1335 K1340 G1341 D1342 | E1334-S1338 WeakPolarHBondContact O-CB 3.17Å; E1334-S1338 PolarHBondContact O-N 3.19Å; E1335-S1338 WeakPolarHBondContact O-CB 3.43Å; E1335-S1338 PolarHBondContact O-N 2.98Å; S1338-K1340 PolarHBondContact O-N 2.75Å; S1338-G1341 WeakPolarHBondContact O-CA 3.16Å; S1338-G1341 PolarHBondContact O-N 3.28Å; S1338-D1342 PolarHBondContact O-N 2.75Å |
| 1339 | A | 65.2 | Low | 67.5 | Low | 46 Ų | 46 | 77.9 Ų | 77.9 | 38% | 0.38 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1335 G1341 D1342 L1343 | E1335-A1339 WeakPolarHBondContact O-CB 3.32Å; E1335-A1339 PolarHBondContact O-N 3.35Å; A1339-G1341 VanDerWaalsContact C-N 3.31Å; A1339-G1341 PolarHBondContact O-N 3.39Å; A1339-D1342 PolarHBondContact O-N 2.79Å; A1339-L1343 WeakPolarHBondContact O-CB 3.26Å; A1339-L1343 WeakPolarHBondContact O-CG 3.48Å; A1339-L1343 PolarHBondContact O-N 2.98Å |
| 1340 | K | 69.5 | Low | 67.8 | Low | 71 Ų | 71 | 78 Ų | 78 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.5 | -43.4 | 169.9 | 171.9 | -166.7 | 163.5 | -164.6 | 0 | 111.7 | E1336 S1338 L1343 Q1344 | E1336-K1340 WeakPolarHBondContact O-CB 3.32Å; E1336-K1340 PolarHBondContact O-N 3.48Å; S1338-K1340 PolarHBondContact O-N 2.75Å; K1340-L1343 PolarHBondContact O-N 3.1Å; K1340-Q1344 HydrophobicContact CG-CG 4.46Å; K1340-Q1344 WeakPolarHBondContact O-CB 3.23Å; K1340-Q1344 WeakPolarHBondContact O-CG 3.2Å; K1340-Q1344 PolarHBondContact O-N 3.47Å |
| 1341 | G | 70.7 | Confident | 67.9 | Low | 24 Ų | 24 | 79 Ų | 79 | 25% | 0.247 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1337 S1338 A1339 R1345 | Q1337-G1341 PolarHBondContact O-N 2.98Å; S1338-G1341 WeakPolarHBondContact O-CA 3.16Å; S1338-G1341 PolarHBondContact O-N 3.28Å; A1339-G1341 VanDerWaalsContact C-N 3.31Å; A1339-G1341 PolarHBondContact O-N 3.39Å; G1341-R1345 WeakPolarHBondContact O-CD 3.41Å; G1341-R1345 VanDerWaalsContact O-CG 3.27Å; G1341-R1345 WeakPolarHBondContact O-CG 3.49Å; G1341-R1345 PolarHBondContact O-N 2.89Å |
| 1342 | D | 70.4 | Confident | 67.9 | Low | 73 Ų | 73 | 76.8 Ų | 76.8 | 39% | 0.39 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -75.9 | -33.5 | 177.2 | -79.8 | -22.7 | 0 | 0 | 0 | 113.4 | S1338 A1339 R1345 Q1346 | S1338-D1342 PolarHBondContact O-N 2.75Å; A1339-D1342 PolarHBondContact O-N 2.79Å; D1342-R1345 PolarHBondContact O-N 3.23Å; D1342-R1345 WeakPolarHBondContact OD1-CD 3.44Å; D1342-R1345 IonicContact OD1-CZ 2.69Å; D1342-R1345 IonicContact OD1-NE 3.76Å; D1342-R1345 IonicContact OD1-NH1 3.91Å; D1342-R1345 PolarHBondContact OD1-NH1 3.01Å; D1342-Q1346 WeakPolarHBondContact O-CB 3.39Å; D1342-Q1346 WeakPolarHBondContact O-CG 3.36Å; D1342-Q1346 PolarHBondContact O-N 3.4Å |
| 1343 | L | 68.4 | Low | 68 | Low | 32 Ų | 32 | 77.7 Ų | 77.7 | 17% | 0.168 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 167.7 | -78.7 | 169 | 0 | 0 | 0 | 111 | A1339 K1340 R1345 Q1346 L1347 L1386 | A1339-L1343 WeakPolarHBondContact O-CB 3.26Å; A1339-L1343 WeakPolarHBondContact O-CG 3.48Å; A1339-L1343 PolarHBondContact O-N 2.98Å; K1340-L1343 PolarHBondContact O-N 3.1Å; L1343-R1345 VanDerWaalsContact C-N 3.32Å; L1343-R1345 PolarHBondContact O-N 3.03Å; L1343-Q1346 PolarHBondContact O-N 2.92Å; L1343-L1347 VanDerWaalsContact O-CB 3.31Å; L1343-L1347 WeakPolarHBondContact O-CB 3.47Å; L1343-L1347 PolarHBondContact O-N 2.86Å; L1343-L1386 HydrophobicContact CD2-CD2 3.7Å |
| 1344 | Q | 69.2 | Low | 67.9 | Low | 101 Ų | 101 | 78.2 Ų | 78.2 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.9 | -34.3 | 176.6 | -72.2 | -166.1 | -81.8 | 0 | 0 | 112.5 | K1340 Q1348 | K1340-Q1344 HydrophobicContact CG-CG 4.46Å; K1340-Q1344 WeakPolarHBondContact O-CB 3.23Å; K1340-Q1344 WeakPolarHBondContact O-CG 3.2Å; K1340-Q1344 PolarHBondContact O-N 3.47Å; Q1344-Q1348 WeakPolarHBondContact O-CB 3.37Å; Q1344-Q1348 WeakPolarHBondContact O-CG 3.48Å; Q1344-Q1348 PolarHBondContact O-N 3.33Å |
| 1345 | R | 73 | Confident | 67.7 | Low | 168 Ų | 168 | 78 Ų | 78 | 63% | 0.634 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66 | -43.3 | 171.3 | -74.8 | 162.1 | 174.7 | 169.9 | 1.8 | 112.1 | G1341 D1342 L1343 K1349 | G1341-R1345 WeakPolarHBondContact O-CD 3.41Å; G1341-R1345 VanDerWaalsContact O-CG 3.27Å; G1341-R1345 WeakPolarHBondContact O-CG 3.49Å; G1341-R1345 PolarHBondContact O-N 2.89Å; D1342-R1345 PolarHBondContact O-N 3.23Å; D1342-R1345 WeakPolarHBondContact OD1-CD 3.44Å; D1342-R1345 IonicContact OD1-CZ 2.69Å; D1342-R1345 IonicContact OD1-NE 3.76Å; D1342-R1345 IonicContact OD1-NH1 3.91Å; D1342-R1345 PolarHBondContact OD1-NH1 3.01Å; L1343-R1345 VanDerWaalsContact C-N 3.32Å; L1343-R1345 PolarHBondContact O-N 3.03Å; R1345-K1349 WeakPolarHBondContact O-CB 3.43Å; R1345-K1349 PolarHBondContact O-N 3.38Å |
| 1346 | Q | 69 | Low | 67.5 | Low | 106 Ų | 106 | 77.2 Ų | 77.2 | 50% | 0.495 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 175.8 | -73.2 | -177.5 | 52.5 | 0 | 0 | 111.5 | D1342 L1343 K1349 L1350 | D1342-Q1346 WeakPolarHBondContact O-CB 3.39Å; D1342-Q1346 WeakPolarHBondContact O-CG 3.36Å; D1342-Q1346 PolarHBondContact O-N 3.4Å; L1343-Q1346 PolarHBondContact O-N 2.92Å; Q1346-K1349 PolarHBondContact O-N 3.4Å; Q1346-L1350 WeakPolarHBondContact O-CB 3.32Å; Q1346-L1350 PolarHBondContact O-N 3.16Å |
| 1347 | L | 67.2 | Low | 67.1 | Low | 22 Ų | 22 | 80 Ų | 80 | 12% | 0.115 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 177.9 | -147.6 | 169.9 | 0 | 0 | 0 | 110.9 | L1343 K1349 L1350 Q1351 L1386 E1387 A1390 | L1343-L1347 VanDerWaalsContact O-CB 3.31Å; L1343-L1347 WeakPolarHBondContact O-CB 3.47Å; L1343-L1347 PolarHBondContact O-N 2.86Å; L1347-K1349 VanDerWaalsContact C-N 3.34Å; L1347-K1349 PolarHBondContact O-N 3.49Å; L1347-L1350 PolarHBondContact O-N 3.13Å; L1347-Q1351 HydrophobicContact CD2-CG 3.93Å; L1347-Q1351 VanDerWaalsContact O-CB 3.31Å; L1347-Q1351 WeakPolarHBondContact O-CB 3.31Å; L1347-Q1351 VanDerWaalsContact O-CG 3.31Å; L1347-Q1351 WeakPolarHBondContact O-CG 3.34Å; L1347-Q1351 PolarHBondContact O-N 3.28Å; L1347-L1386 HydrophobicContact CD1-CB 4.45Å; L1347-L1386 HydrophobicContact CG-CB 4.42Å; L1347-E1387 HydrophobicContact CD1-CG 3.97Å; L1347-A1390 HydrophobicContact CD1-CB 4.37Å |
| 1348 | Q | 70.6 | Confident | 66.6 | Low | 139 Ų | 139 | 84.8 Ų | 84.8 | 65% | 0.65 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62.6 | -37.7 | 171.1 | -79.9 | -170.2 | -8.8 | 0 | 0 | 112.9 | Q1344 G1352 | Q1344-Q1348 WeakPolarHBondContact O-CB 3.37Å; Q1344-Q1348 WeakPolarHBondContact O-CG 3.48Å; Q1344-Q1348 PolarHBondContact O-N 3.33Å; Q1348-G1352 PolarHBondContact O-N 2.99Å |
| 1349 | K | 73 | Confident | 65.8 | Low | 139 Ų | 139 | 85.5 Ų | 85.5 | 60% | 0.604 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -67.3 | -45.3 | 178.3 | -172.6 | -179 | 176.8 | -169 | 0 | 111.2 | R1345 Q1346 L1347 G1352 E1353 | R1345-K1349 WeakPolarHBondContact O-CB 3.43Å; R1345-K1349 PolarHBondContact O-N 3.38Å; Q1346-K1349 PolarHBondContact O-N 3.4Å; L1347-K1349 VanDerWaalsContact C-N 3.34Å; L1347-K1349 PolarHBondContact O-N 3.49Å; K1349-G1352 CarbonylContact O-C 3.53Å; K1349-G1352 PolarHBondContact O-N 2.8Å; K1349-E1353 WeakPolarHBondContact CE-OE1 3.39Å; K1349-E1353 WeakPolarHBondContact O-CB 3.48Å; K1349-E1353 WeakPolarHBondContact O-CG 3.46Å; K1349-E1353 PolarHBondContact O-N 3.48Å |
| 1350 | L | 66.8 | Low | 65.1 | Low | 37 Ų | 37 | 93.2 Ų | 93.2 | 19% | 0.194 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.1 | -37.8 | 175.6 | -76.9 | 166.2 | 0 | 0 | 0 | 112.4 | Q1346 L1347 G1352 E1353 L1354 M1379 L1386 | Q1346-L1350 WeakPolarHBondContact O-CB 3.32Å; Q1346-L1350 PolarHBondContact O-N 3.16Å; L1347-L1350 PolarHBondContact O-N 3.13Å; L1350-G1352 VanDerWaalsContact C-N 3.35Å; L1350-E1353 PolarHBondContact O-N 2.75Å; L1350-L1354 VanDerWaalsContact O-CB 3.24Å; L1350-L1354 WeakPolarHBondContact O-CB 3.32Å; L1350-L1354 PolarHBondContact O-N 3.49Å; L1350-M1379 HydrophobicContact CD2-CE 3.91Å; L1350-L1386 HydrophobicContact CD1-CD1 3.4Å; L1350-L1386 VanDerWaalsContact CD1-CD1 3.4Å |
| 1351 | Q | 66.2 | Low | 63.9 | Low | 85 Ų | 85 | 93.2 Ų | 93.2 | 40% | 0.397 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 170.2 | -77.3 | 178.9 | -8.8 | 0 | 0 | 111.5 | L1347 L1354 Q1355 | L1347-Q1351 HydrophobicContact CD2-CG 3.93Å; L1347-Q1351 VanDerWaalsContact O-CB 3.31Å; L1347-Q1351 WeakPolarHBondContact O-CB 3.31Å; L1347-Q1351 VanDerWaalsContact O-CG 3.31Å; L1347-Q1351 WeakPolarHBondContact O-CG 3.34Å; L1347-Q1351 PolarHBondContact O-N 3.28Å; Q1351-L1354 PolarHBondContact O-N 3.31Å; Q1351-Q1355 VanDerWaalsContact O-CB 3.24Å; Q1351-Q1355 WeakPolarHBondContact O-CB 3.47Å; Q1351-Q1355 PolarHBondContact O-N 3.12Å |
| 1352 | G | 67 | Low | 62.5 | Low | 26 Ų | 26 | 95.5 Ų | 95.5 | 27% | 0.268 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q1348 K1349 L1350 Q1355 Q1356 | Q1348-G1352 PolarHBondContact O-N 2.99Å; K1349-G1352 CarbonylContact O-C 3.53Å; K1349-G1352 PolarHBondContact O-N 2.8Å; L1350-G1352 VanDerWaalsContact C-N 3.35Å; G1352-Q1355 PolarHBondContact O-N 3.49Å; G1352-Q1356 WeakPolarHBondContact O-CB 3.43Å; G1352-Q1356 WeakPolarHBondContact O-CG 3.12Å; G1352-Q1356 PolarHBondContact O-N 3.29Å |
| 1353 | E | 64.9 | Low | 60.8 | Low | 79 Ų | 79 | 95.4 Ų | 95.4 | 37% | 0.369 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 173.2 | -74.5 | 170.9 | -167.6 | 0 | 0 | 111.2 | K1349 L1350 Q1355 Q1356 L1357 M1379 | K1349-E1353 WeakPolarHBondContact CE-OE1 3.39Å; K1349-E1353 WeakPolarHBondContact O-CB 3.48Å; K1349-E1353 WeakPolarHBondContact O-CG 3.46Å; K1349-E1353 PolarHBondContact O-N 3.48Å; L1350-E1353 PolarHBondContact O-N 2.75Å; E1353-Q1355 VanDerWaalsContact C-N 3.31Å; E1353-Q1355 PolarHBondContact O-N 3.46Å; E1353-Q1356 PolarHBondContact O-N 3.24Å; E1353-L1357 WeakPolarHBondContact O-CB 3.23Å; E1353-L1357 PolarHBondContact O-N 2.97Å; E1353-M1379 HydrophobicContact CB-CE 4.09Å |
| 1354 | L | 61.8 | Low | 59.1 | Low | 20 Ų | 20 | 98 Ų | 98 | 11% | 0.105 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 172 | -165.6 | 84.3 | 0 | 0 | 0 | 111.6 | L1350 Q1351 L1357 R1358 M1379 I1383 | L1350-L1354 VanDerWaalsContact O-CB 3.24Å; L1350-L1354 WeakPolarHBondContact O-CB 3.32Å; L1350-L1354 PolarHBondContact O-N 3.49Å; Q1351-L1354 PolarHBondContact O-N 3.31Å; L1354-L1357 PolarHBondContact O-N 2.95Å; L1354-R1358 VanDerWaalsContact O-CG 3.3Å; L1354-R1358 WeakPolarHBondContact O-CG 3.22Å; L1354-R1358 PolarHBondContact O-N 3.19Å; L1354-M1379 HydrophobicContact CD1-CB 3.98Å; L1354-M1379 HydrophobicContact CD1-SD 3.99Å; L1354-I1383 HydrophobicContact CD2-CD1 3.99Å |
| 1355 | Q | 62.5 | Low | 57.4 | Low | 139 Ų | 139 | 97 Ų | 97 | 65% | 0.65 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -74.9 | -32.5 | 177.7 | -162.9 | 171.2 | 21.8 | 0 | 0 | 111.9 | Q1351 G1352 E1353 R1358 S1359 | Q1351-Q1355 VanDerWaalsContact O-CB 3.24Å; Q1351-Q1355 WeakPolarHBondContact O-CB 3.47Å; Q1351-Q1355 PolarHBondContact O-N 3.12Å; G1352-Q1355 PolarHBondContact O-N 3.49Å; E1353-Q1355 VanDerWaalsContact C-N 3.31Å; E1353-Q1355 PolarHBondContact O-N 3.46Å; Q1355-R1358 PolarHBondContact O-N 3.49Å; Q1355-S1359 PolarHBondContact O-N 3.02Å; Q1355-S1359 PolarHBondContact O-OG 2.86Å |
| 1356 | Q | 62.5 | Low | 55.7 | Low | 115 Ų | 115 | 96.6 Ų | 96.6 | 54% | 0.537 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.9 | -35.2 | 168.6 | -76.2 | -171.3 | 17.4 | 0 | 0 | 112.6 | G1352 E1353 S1359 R1360 | G1352-Q1356 WeakPolarHBondContact O-CB 3.43Å; G1352-Q1356 WeakPolarHBondContact O-CG 3.12Å; G1352-Q1356 PolarHBondContact O-N 3.29Å; E1353-Q1356 PolarHBondContact O-N 3.24Å; Q1356-S1359 WeakPolarHBondContact CA-OG 3.48Å; Q1356-S1359 PolarHBondContact O-N 3.36Å; Q1356-S1359 PolarHBondContact O-OG 3.45Å; Q1356-R1360 VanDerWaalsContact O-CB 3.25Å; Q1356-R1360 WeakPolarHBondContact O-CB 3.36Å; Q1356-R1360 WeakPolarHBondContact O-CG 3.17Å; Q1356-R1360 PolarHBondContact O-N 2.94Å |
| 1357 | L | 55 | Low | 54.3 | Low | 100 Ų | 100 | 97.2 Ų | 97.2 | 52% | 0.524 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.2 | -45 | 169.8 | -93 | 152.4 | 0 | 0 | 0 | 110.9 | E1353 L1354 S1359 R1360 G1361 M1379 | E1353-L1357 WeakPolarHBondContact O-CB 3.23Å; E1353-L1357 PolarHBondContact O-N 2.97Å; L1354-L1357 PolarHBondContact O-N 2.95Å; L1357-S1359 VanDerWaalsContact C-N 3.34Å; L1357-S1359 PolarHBondContact O-N 3.22Å; L1357-R1360 PolarHBondContact O-N 3.38Å; L1357-G1361 PolarHBondContact O-N 2.89Å; L1357-G1361 VanDerWaalsContact O-N 3.08Å; L1357-M1379 HydrophobicContact CD1-CE 4.31Å; L1357-M1379 HydrophobicContact CD1-SD 3.62Å |
| 1358 | R | 56.5 | Low | 53.4 | Low | 185 Ų | 185 | 103.6 Ų | 103.6 | 70% | 0.698 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.2 | -35.6 | 173.8 | -71.6 | 175.6 | -168.8 | -156.1 | 6.3 | 113 | L1354 Q1355 | L1354-R1358 VanDerWaalsContact O-CG 3.3Å; L1354-R1358 WeakPolarHBondContact O-CG 3.22Å; L1354-R1358 PolarHBondContact O-N 3.19Å; Q1355-R1358 PolarHBondContact O-N 3.49Å |
| 1359 | S | 51.7 | Low | 52.4 | Low | 89 Ų | 89 | 101.6 Ų | 101.6 | 62% | 0.622 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -85.5 | -22.5 | 178.9 | 69.1 | 0 | 0 | 0 | 0 | 114.4 | Q1355 Q1356 L1357 | Q1355-S1359 PolarHBondContact O-N 3.02Å; Q1355-S1359 PolarHBondContact O-OG 2.86Å; Q1356-S1359 WeakPolarHBondContact CA-OG 3.48Å; Q1356-S1359 PolarHBondContact O-N 3.36Å; Q1356-S1359 PolarHBondContact O-OG 3.45Å; L1357-S1359 VanDerWaalsContact C-N 3.34Å; L1357-S1359 PolarHBondContact O-N 3.22Å |
| 1360 | R | 50.4 | Low | 51.3 | Low | 207 Ų | 207 | 103 Ų | 103 | 78% | 0.781 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -81.9 | -22.7 | 172.2 | -79.8 | -179.8 | 153.9 | 170.6 | -6.2 | 114 | Q1356 L1357 G1362 | Q1356-R1360 VanDerWaalsContact O-CB 3.25Å; Q1356-R1360 WeakPolarHBondContact O-CB 3.36Å; Q1356-R1360 WeakPolarHBondContact O-CG 3.17Å; Q1356-R1360 PolarHBondContact O-N 2.94Å; L1357-R1360 PolarHBondContact O-N 3.38Å; R1360-G1362 PolarHBondContact O-N 3.43Å |
| 1361 | G | 45.2 | Very low | 50.7 | Low | 71 Ų | 71 | 105.6 Ų | 105.6 | 73% | 0.732 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 11.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1357 | L1357-G1361 PolarHBondContact O-N 2.89Å; L1357-G1361 VanDerWaalsContact O-N 3.08Å |
| 1362 | G | 41 | Very low | 50.4 | Low | 73 Ų | 73 | 105.6 Ų | 105.6 | 75% | 0.753 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 4.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 117 | R1360 | R1360-G1362 PolarHBondContact O-N 3.43Š|
| 1363 | G | 35.2 | Very low | 50 | Low | 70 Ų | 70 | 107.9 Ų | 107.9 | 72% | 0.722 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -166.3 | 102 | -174.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1364 | G | 33.1 | Very low | 49.8 | Very low | 87 Ų | 87 | 108.9 Ų | 108.9 | 90% | 0.897 | 63% | 0.63 | S | S | * | * | trans | 86 | 135.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1365 | G | 33.1 | Very low | 50 | Low | 81 Ų | 81 | 113 Ų | 113 | 84% | 0.835 | 65% | 0.652 | S | S | * | * | trans | 108.3 | 116.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1366 | D | 36.4 | Very low | 50.1 | Low | 159 Ų | 159 | 111.2 Ų | 111.2 | 85% | 0.85 | 64% | 0.642 | S | S | * | * | trans | -66.6 | 171.2 | 171 | -155.7 | -18.2 | 0 | 0 | 0 | 111.7 | ||||
| 1367 | V | 40.3 | Very low | 50.4 | Low | 119 Ų | 119 | 114.1 Ų | 114.1 | 72% | 0.721 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 82.4 | 137.2 | 177.7 | -173.9 | 0 | 0 | 0 | 0 | 116 | ||
| 1368 | R | 47.2 | Very low | 51.2 | Low | 155 Ų | 155 | 115.5 Ų | 115.5 | 59% | 0.585 | 65% | 0.65 | S | S | * | * | trans | 77.5 | 45 | 170.6 | -78.8 | 160.7 | 159.3 | 177.9 | -22.8 | 119.4 | E1370 E1371 V1372 | R1368-E1370 VanDerWaalsContact C-N 3.31Å; R1368-E1370 PolarHBondContact O-N 3.5Å; R1368-E1371 HydrophobicContact CB-CB 4.46Å; R1368-E1371 VanDerWaalsContact CD-OE2 3.29Å; R1368-E1371 WeakPolarHBondContact CD-OE2 3.41Å; R1368-E1371 HydrophobicContact CG-CB 4.5Å; R1368-E1371 HydrophobicContact CG-CG 4.24Å; R1368-E1371 IonicContact CZ-OE1 3.18Å; R1368-E1371 IonicContact CZ-OE2 3.36Å; R1368-E1371 IonicContact NE-OE1 2.74Å; R1368-E1371 PolarHBondContact NE-OE1 3.25Å; R1368-E1371 IonicContact NE-OE2 2.98Å; R1368-E1371 PolarHBondContact NE-OE2 3.01Å; R1368-E1371 IonicContact NH2-OE1 2.79Å; R1368-E1371 PolarHBondContact NH2-OE1 3.28Å; R1368-E1371 IonicContact NH2-OE2 3.42Å; R1368-E1371 PolarHBondContact NH2-OE2 3.4Å; R1368-V1372 WeakPolarHBondContact O-CG2 3.17Å | ||
| 1369 | S | 50.8 | Low | 51.7 | Low | 97 Ų | 97 | 108.1 Ų | 108.1 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60.9 | -34.5 | 166.2 | -169.9 | 0 | 0 | 0 | 0 | 114 | E1373 | S1369-E1373 PolarHBondContact O-N 2.88Å |
| 1370 | E | 50.8 | Low | 52.8 | Low | 168 Ų | 168 | 107.4 Ų | 107.4 | 79% | 0.785 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -76.2 | -44.6 | -174.5 | -66.7 | -175.8 | 132.5 | 0 | 0 | 113.2 | R1368 V1372 E1373 E1374 | R1368-E1370 VanDerWaalsContact C-N 3.31Å; R1368-E1370 PolarHBondContact O-N 3.5Å; E1370-V1372 PolarHBondContact O-N 2.87Å; E1370-E1373 PolarHBondContact O-N 3.33Å; E1370-E1373 VanDerWaalsContact O-N 3.16Å; E1370-E1374 WeakPolarHBondContact O-CB 3.41Å; E1370-E1374 PolarHBondContact O-N 3.04Å |
| 1371 | E | 53.8 | Low | 53.9 | Low | 92 Ų | 92 | 100.2 Ų | 100.2 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.1 | -34.3 | 175.3 | -69.6 | 179.5 | -163.6 | 0 | 0 | 111.5 | R1368 L1375 | R1368-E1371 HydrophobicContact CB-CB 4.46Å; R1368-E1371 VanDerWaalsContact CD-OE2 3.29Å; R1368-E1371 WeakPolarHBondContact CD-OE2 3.41Å; R1368-E1371 HydrophobicContact CG-CB 4.5Å; R1368-E1371 HydrophobicContact CG-CG 4.24Å; R1368-E1371 IonicContact CZ-OE1 3.18Å; R1368-E1371 IonicContact CZ-OE2 3.36Å; R1368-E1371 IonicContact NE-OE1 2.74Å; R1368-E1371 PolarHBondContact NE-OE1 3.25Å; R1368-E1371 IonicContact NE-OE2 2.98Å; R1368-E1371 PolarHBondContact NE-OE2 3.01Å; R1368-E1371 IonicContact NH2-OE1 2.79Å; R1368-E1371 PolarHBondContact NH2-OE1 3.28Å; R1368-E1371 IonicContact NH2-OE2 3.42Å; R1368-E1371 PolarHBondContact NH2-OE2 3.4Å; E1371-L1375 WeakPolarHBondContact O-CB 3.32Å; E1371-L1375 WeakPolarHBondContact O-CG 3.32Å; E1371-L1375 PolarHBondContact O-N 3.24Å |
| 1372 | V | 58.6 | Low | 55.2 | Low | 86 Ų | 86 | 101.9 Ų | 101.9 | 52% | 0.521 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.9 | -41.4 | 176 | 175.4 | 0 | 0 | 0 | 0 | 112 | R1368 E1370 E1374 K1376 | R1368-V1372 WeakPolarHBondContact O-CG2 3.17Å; E1370-V1372 PolarHBondContact O-N 2.87Å; V1372-E1374 VanDerWaalsContact C-N 3.35Å; V1372-K1376 WeakPolarHBondContact O-CB 3.42Å; V1372-K1376 PolarHBondContact O-N 2.96Å |
| 1373 | E | 59.4 | Low | 56.9 | Low | 73 Ų | 73 | 99.1 Ų | 99.1 | 34% | 0.341 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.8 | -40.1 | 171.1 | -90.4 | -80 | 115.5 | 0 | 0 | 111.9 | S1369 E1370 K1376 R1377 | S1369-E1373 PolarHBondContact O-N 2.88Å; E1370-E1373 PolarHBondContact O-N 3.33Å; E1370-E1373 VanDerWaalsContact O-N 3.16Å; E1373-K1376 PolarHBondContact O-N 3.29Å; E1373-K1376 IonicContact OE1-NZ 3.71Å; E1373-K1376 PolarHBondContact OE1-NZ 2.88Å; E1373-R1377 WeakPolarHBondContact O-CG 3.33Å; E1373-R1377 PolarHBondContact O-N 3.13Å; E1373-R1377 IonicContact OE2-NH2 2.74Å |
| 1374 | E | 61.4 | Low | 58.8 | Low | 101 Ų | 101 | 102.5 Ų | 102.5 | 47% | 0.472 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.5 | -42.1 | -179.2 | -151.8 | -158.2 | 152.4 | 0 | 0 | 112.3 | E1370 V1372 K1376 R1377 K1378 | E1370-E1374 WeakPolarHBondContact O-CB 3.41Å; E1370-E1374 PolarHBondContact O-N 3.04Å; V1372-E1374 VanDerWaalsContact C-N 3.35Å; E1374-K1376 VanDerWaalsContact C-N 3.3Å; E1374-K1376 PolarHBondContact O-N 3.44Å; E1374-R1377 PolarHBondContact O-N 2.89Å; E1374-K1378 WeakPolarHBondContact O-CB 3.48Å; E1374-K1378 WeakPolarHBondContact O-CG 3.32Å; E1374-K1378 PolarHBondContact O-N 3.19Å; E1374-K1378 VanDerWaalsContact OE1-CE 3.22Å; E1374-K1378 WeakPolarHBondContact OE1-CE 3.38Å; E1374-K1378 IonicContact OE1-NZ 3.64Å; E1374-K1378 PolarHBondContact OE1-NZ 3.43Å |
| 1375 | L | 64.7 | Low | 60.8 | Low | 105 Ų | 105 | 103 Ų | 103 | 55% | 0.55 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 170.3 | -83.1 | 165.7 | 0 | 0 | 0 | 111.6 | E1371 K1378 M1379 | E1371-L1375 WeakPolarHBondContact O-CB 3.32Å; E1371-L1375 WeakPolarHBondContact O-CG 3.32Å; E1371-L1375 PolarHBondContact O-N 3.24Å; L1375-K1378 PolarHBondContact O-N 2.96Å; L1375-M1379 WeakPolarHBondContact O-CG 3.46Å; L1375-M1379 PolarHBondContact O-N 3.37Å |
| 1376 | K | 65.1 | Low | 62.8 | Low | 103 Ų | 103 | 99.7 Ų | 99.7 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 177.1 | 178 | -176.9 | 167 | -158 | 0 | 112.4 | V1372 E1373 E1374 N1380 | V1372-K1376 WeakPolarHBondContact O-CB 3.42Å; V1372-K1376 PolarHBondContact O-N 2.96Å; E1373-K1376 PolarHBondContact O-N 3.29Å; E1373-K1376 IonicContact OE1-NZ 3.71Å; E1373-K1376 PolarHBondContact OE1-NZ 2.88Å; E1374-K1376 VanDerWaalsContact C-N 3.3Å; E1374-K1376 PolarHBondContact O-N 3.44Å; K1376-N1380 WeakPolarHBondContact O-CB 3.31Å; K1376-N1380 VanDerWaalsContact O-CG 3.32Å; K1376-N1380 PolarHBondContact O-N 3.08Å |
| 1377 | R | 69.2 | Low | 64.5 | Low | 176 Ų | 176 | 96.4 Ų | 96.4 | 66% | 0.664 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.7 | -46 | 169.2 | -74.7 | -177.7 | -169.1 | 179.4 | 5.9 | 111.7 | E1373 E1374 N1380 A1381 | E1373-R1377 WeakPolarHBondContact O-CG 3.33Å; E1373-R1377 PolarHBondContact O-N 3.13Å; E1373-R1377 IonicContact OE2-NH2 2.74Å; E1374-R1377 PolarHBondContact O-N 2.89Å; R1377-N1380 PolarHBondContact O-N 3.34Å; R1377-A1381 WeakPolarHBondContact O-CB 3.43Å; R1377-A1381 PolarHBondContact O-N 3.45Å |
| 1378 | K | 72.7 | Confident | 66.1 | Low | 128 Ų | 128 | 94.7 Ų | 94.7 | 56% | 0.557 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.9 | -42.2 | 177.9 | -77.8 | 165.7 | 168.3 | 166 | 0 | 112.1 | E1374 L1375 K1382 | E1374-K1378 WeakPolarHBondContact O-CB 3.48Å; E1374-K1378 WeakPolarHBondContact O-CG 3.32Å; E1374-K1378 PolarHBondContact O-N 3.19Å; E1374-K1378 VanDerWaalsContact OE1-CE 3.22Å; E1374-K1378 WeakPolarHBondContact OE1-CE 3.38Å; E1374-K1378 IonicContact OE1-NZ 3.64Å; E1374-K1378 PolarHBondContact OE1-NZ 3.43Å; L1375-K1378 PolarHBondContact O-N 2.96Å; K1378-K1382 WeakPolarHBondContact O-CB 3.26Å; K1378-K1382 PolarHBondContact O-N 3.19Å |
| 1379 | M | 66.8 | Low | 67.5 | Low | 31 Ų | 31 | 92.1 Ų | 92.1 | 15% | 0.153 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 172.8 | -72.3 | -173.1 | 100.2 | 0 | 0 | 112.5 | L1350 E1353 L1354 L1357 L1375 A1381 K1382 I1383 | L1350-M1379 HydrophobicContact CD2-CE 3.91Å; E1353-M1379 HydrophobicContact CB-CE 4.09Å; L1354-M1379 HydrophobicContact CD1-CB 3.98Å; L1354-M1379 HydrophobicContact CD1-SD 3.99Å; L1357-M1379 HydrophobicContact CD1-CE 4.31Å; L1357-M1379 HydrophobicContact CD1-SD 3.62Å; L1375-M1379 WeakPolarHBondContact O-CG 3.46Å; L1375-M1379 PolarHBondContact O-N 3.37Å; M1379-A1381 VanDerWaalsContact C-N 3.35Å; M1379-A1381 PolarHBondContact O-N 3.32Å; M1379-K1382 PolarHBondContact O-N 2.98Å; M1379-I1383 VanDerWaalsContact O-CG1 3.29Å; M1379-I1383 WeakPolarHBondContact O-CG1 3.36Å; M1379-I1383 PolarHBondContact O-N 3.5Å |
| 1380 | N | 73.3 | Confident | 68.5 | Low | 74 Ų | 74 | 88.4 Ų | 88.4 | 40% | 0.396 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 176.4 | -81.6 | 4.1 | 0 | 0 | 0 | 112.3 | K1376 R1377 I1383 Q1384 | K1376-N1380 WeakPolarHBondContact O-CB 3.31Å; K1376-N1380 VanDerWaalsContact O-CG 3.32Å; K1376-N1380 PolarHBondContact O-N 3.08Å; R1377-N1380 PolarHBondContact O-N 3.34Å; N1380-I1383 PolarHBondContact O-N 3.25Å; N1380-Q1384 PolarHBondContact O-N 3.14Å |
| 1381 | A | 73.6 | Confident | 69.6 | Low | 56 Ų | 56 | 86.1 Ų | 86.1 | 46% | 0.463 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1377 M1379 I1383 Q1384 E1385 | R1377-A1381 WeakPolarHBondContact O-CB 3.43Å; R1377-A1381 PolarHBondContact O-N 3.45Å; M1379-A1381 VanDerWaalsContact C-N 3.35Å; M1379-A1381 PolarHBondContact O-N 3.32Å; A1381-I1383 VanDerWaalsContact C-N 3.27Å; A1381-I1383 PolarHBondContact O-N 3.08Å; A1381-Q1384 PolarHBondContact O-N 3.3Å; A1381-E1385 WeakPolarHBondContact O-CB 3.32Å; A1381-E1385 PolarHBondContact O-N 3.22Å |
| 1382 | K | 73.6 | Confident | 70.6 | Confident | 105 Ų | 105 | 85.2 Ų | 85.2 | 46% | 0.457 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.1 | -34 | 174.8 | -150.5 | 74.6 | -165.8 | 151.7 | 0 | 112.7 | K1378 M1379 E1385 L1386 | K1378-K1382 WeakPolarHBondContact O-CB 3.26Å; K1378-K1382 PolarHBondContact O-N 3.19Å; M1379-K1382 PolarHBondContact O-N 2.98Å; K1382-E1385 WeakPolarHBondContact CD-OE2 3.35Å; K1382-E1385 WeakPolarHBondContact CE-OE2 3.38Å; K1382-E1385 IonicContact NZ-OE2 2.63Å; K1382-E1385 PolarHBondContact NZ-OE2 2.83Å; K1382-L1386 WeakPolarHBondContact O-CB 3.49Å; K1382-L1386 WeakPolarHBondContact O-CD1 3.31Å; K1382-L1386 VanDerWaalsContact O-CG 3.3Å; K1382-L1386 WeakPolarHBondContact O-CG 3.41Å; K1382-L1386 PolarHBondContact O-N 3.35Å; K1382-L1386 VanDerWaalsContact O-N 3.09Å |
| 1383 | I | 75.5 | Confident | 71.1 | Confident | 16 Ų | 16 | 81.5 Ų | 81.5 | 8% | 0.082 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.5 | -46.3 | 174.2 | -71.1 | 163.9 | 0 | 0 | 0 | 110.6 | L1354 M1379 N1380 A1381 E1385 L1386 E1387 | L1354-I1383 HydrophobicContact CD2-CD1 3.99Å; M1379-I1383 VanDerWaalsContact O-CG1 3.29Å; M1379-I1383 WeakPolarHBondContact O-CG1 3.36Å; M1379-I1383 PolarHBondContact O-N 3.5Å; N1380-I1383 PolarHBondContact O-N 3.25Å; A1381-I1383 VanDerWaalsContact C-N 3.27Å; A1381-I1383 PolarHBondContact O-N 3.08Å; I1383-E1385 VanDerWaalsContact C-N 3.32Å; I1383-E1385 PolarHBondContact O-N 3.34Å; I1383-L1386 PolarHBondContact O-N 3.35Å; I1383-E1387 HydrophobicContact CG2-CG 4.17Å; I1383-E1387 WeakPolarHBondContact O-CB 3.33Å; I1383-E1387 VanDerWaalsContact O-CG 3.28Å; I1383-E1387 WeakPolarHBondContact O-CG 3.16Å; I1383-E1387 PolarHBondContact O-N 3.47Å |
| 1384 | Q | 75.5 | Confident | 71.8 | Confident | 140 Ų | 140 | 84 Ų | 84 | 65% | 0.654 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62.5 | -37.6 | 175.8 | -77.8 | -169.7 | -64.9 | 0 | 0 | 113 | N1380 A1381 E1387 S1388 | N1380-Q1384 PolarHBondContact O-N 3.14Å; A1381-Q1384 PolarHBondContact O-N 3.3Å; Q1384-E1387 PolarHBondContact O-N 3.2Å; Q1384-S1388 WeakPolarHBondContact O-CB 3.38Å; Q1384-S1388 PolarHBondContact O-N 2.86Å |
| 1385 | E | 74.6 | Confident | 72.3 | Confident | 98 Ų | 98 | 82.5 Ų | 82.5 | 46% | 0.458 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 175.3 | -166.3 | 172.6 | -127.2 | 0 | 0 | 110.5 | A1381 K1382 I1383 S1388 E1389 | A1381-E1385 WeakPolarHBondContact O-CB 3.32Å; A1381-E1385 PolarHBondContact O-N 3.22Å; K1382-E1385 WeakPolarHBondContact CD-OE2 3.35Å; K1382-E1385 WeakPolarHBondContact CE-OE2 3.38Å; K1382-E1385 IonicContact NZ-OE2 2.63Å; K1382-E1385 PolarHBondContact NZ-OE2 2.83Å; I1383-E1385 VanDerWaalsContact C-N 3.32Å; I1383-E1385 PolarHBondContact O-N 3.34Å; E1385-S1388 WeakPolarHBondContact O-CB 3.13Å; E1385-S1388 PolarHBondContact O-N 3.45Å; E1385-E1389 WeakPolarHBondContact O-CG 3.46Å; E1385-E1389 PolarHBondContact O-N 3.46Å |
| 1386 | L | 74.8 | Confident | 72.6 | Confident | 12 Ų | 12 | 82.5 Ų | 82.5 | 6% | 0.063 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.6 | -31.2 | 176.4 | -71.5 | 168.3 | 0 | 0 | 0 | 114 | L1343 L1347 L1350 K1382 I1383 A1390 | L1343-L1386 HydrophobicContact CD2-CD2 3.7Å; L1347-L1386 HydrophobicContact CD1-CB 4.45Å; L1347-L1386 HydrophobicContact CG-CB 4.42Å; L1350-L1386 HydrophobicContact CD1-CD1 3.4Å; L1350-L1386 VanDerWaalsContact CD1-CD1 3.4Å; K1382-L1386 WeakPolarHBondContact O-CB 3.49Å; K1382-L1386 WeakPolarHBondContact O-CD1 3.31Å; K1382-L1386 VanDerWaalsContact O-CG 3.3Å; K1382-L1386 WeakPolarHBondContact O-CG 3.41Å; K1382-L1386 PolarHBondContact O-N 3.35Å; K1382-L1386 VanDerWaalsContact O-N 3.09Å; I1383-L1386 PolarHBondContact O-N 3.35Å; L1386-A1390 WeakPolarHBondContact O-CB 3.3Å; L1386-A1390 PolarHBondContact O-N 3Å |
| 1387 | E | 73.8 | Confident | 72.8 | Confident | 89 Ų | 89 | 77.9 Ų | 77.9 | 42% | 0.416 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.1 | -41 | 173.5 | -78.2 | 175.2 | 161.9 | 0 | 0 | 110.7 | L1347 I1383 Q1384 A1390 E1391 | L1347-E1387 HydrophobicContact CD1-CG 3.97Å; I1383-E1387 HydrophobicContact CG2-CG 4.17Å; I1383-E1387 WeakPolarHBondContact O-CB 3.33Å; I1383-E1387 VanDerWaalsContact O-CG 3.28Å; I1383-E1387 WeakPolarHBondContact O-CG 3.16Å; I1383-E1387 PolarHBondContact O-N 3.47Å; Q1384-E1387 PolarHBondContact O-N 3.2Å; E1387-A1390 PolarHBondContact O-N 3.17Å; E1387-E1391 VanDerWaalsContact O-CB 3.3Å; E1387-E1391 WeakPolarHBondContact O-CB 3.33Å; E1387-E1391 PolarHBondContact O-N 3.09Å |
| 1388 | S | 73.8 | Confident | 73 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 58% | 0.58 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.8 | -45.4 | 174.2 | -172.9 | 0 | 0 | 0 | 0 | 112.1 | Q1384 E1385 E1391 S1392 | Q1384-S1388 WeakPolarHBondContact O-CB 3.38Å; Q1384-S1388 PolarHBondContact O-N 2.86Å; E1385-S1388 WeakPolarHBondContact O-CB 3.13Å; E1385-S1388 PolarHBondContact O-N 3.45Å; S1388-E1391 PolarHBondContact O-N 2.81Å; S1388-S1392 WeakPolarHBondContact O-CB 3.31Å; S1388-S1392 PolarHBondContact O-N 3Å |
| 1389 | E | 74.8 | Confident | 72.9 | Confident | 102 Ų | 102 | 71 Ų | 71 | 48% | 0.477 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 174.5 | -72 | -177.5 | 153.4 | 0 | 0 | 111.8 | E1385 S1392 A1393 | E1385-E1389 WeakPolarHBondContact O-CG 3.46Å; E1385-E1389 PolarHBondContact O-N 3.46Å; E1389-S1392 WeakPolarHBondContact O-CB 3.44Å; E1389-S1392 PolarHBondContact O-N 3.45Å; E1389-A1393 WeakPolarHBondContact O-CB 3.45Å; E1389-A1393 PolarHBondContact O-N 2.8Å |
| 1390 | A | 73.1 | Confident | 72.9 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.9 | -35.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1347 L1386 E1387 K1394 | L1347-A1390 HydrophobicContact CD1-CB 4.37Å; L1386-A1390 WeakPolarHBondContact O-CB 3.3Å; L1386-A1390 PolarHBondContact O-N 3Å; E1387-A1390 PolarHBondContact O-N 3.17Å; A1390-K1394 WeakPolarHBondContact O-CB 3.29Å; A1390-K1394 PolarHBondContact O-N 3.48Å |
| 1391 | E | 73.9 | Confident | 72.7 | Confident | 120 Ų | 120 | 72.5 Ų | 72.5 | 56% | 0.561 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -72.8 | -35.4 | 175.8 | -164.6 | 113.6 | -99.7 | 0 | 0 | 111.5 | E1387 S1388 K1394 S1395 | E1387-E1391 VanDerWaalsContact O-CB 3.3Å; E1387-E1391 WeakPolarHBondContact O-CB 3.33Å; E1387-E1391 PolarHBondContact O-N 3.09Å; S1388-E1391 PolarHBondContact O-N 2.81Å; E1391-K1394 PolarHBondContact O-N 3.42Å; E1391-K1394 IonicContact OE1-NZ 2.71Å; E1391-K1394 PolarHBondContact OE1-NZ 3.21Å; E1391-S1395 WeakPolarHBondContact O-CB 3.06Å; E1391-S1395 PolarHBondContact O-N 3.14Å |
| 1392 | S | 73.5 | Confident | 72.5 | Confident | 72 Ų | 72 | 77.8 Ų | 77.8 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.5 | -50.4 | 170.5 | -174.4 | 0 | 0 | 0 | 0 | 112 | S1388 E1389 K1394 S1395 K1396 | S1388-S1392 WeakPolarHBondContact O-CB 3.31Å; S1388-S1392 PolarHBondContact O-N 3Å; E1389-S1392 WeakPolarHBondContact O-CB 3.44Å; E1389-S1392 PolarHBondContact O-N 3.45Å; S1392-K1394 VanDerWaalsContact C-N 3.33Å; S1392-K1394 PolarHBondContact O-N 3Å; S1392-S1395 WeakPolarHBondContact O-CB 3.41Å; S1392-S1395 PolarHBondContact O-N 3.29Å; S1392-S1395 VanDerWaalsContact O-N 3.13Å; S1392-K1396 PolarHBondContact O-N 3.49Å |
| 1393 | A | 70 | Confident | 72.2 | Confident | 9 Ų | 9 | 75.3 Ų | 75.3 | 7% | 0.074 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1389 K1396 C1397 | E1389-A1393 WeakPolarHBondContact O-CB 3.45Å; E1389-A1393 PolarHBondContact O-N 2.8Å; A1393-K1396 PolarHBondContact O-N 2.88Å; A1393-C1397 WeakPolarHBondContact O-CB 3.29Å; A1393-C1397 PolarHBondContact O-N 3.08Å; A1393-C1397 PolarHBondContact O-SG 3.19Å |
| 1394 | K | 75.1 | Confident | 71.8 | Confident | 124 Ų | 124 | 76.8 Ų | 76.8 | 54% | 0.539 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 173 | 175.3 | -175.1 | 165.7 | -158.4 | 0 | 112.2 | A1390 E1391 S1392 G1398 | A1390-K1394 WeakPolarHBondContact O-CB 3.29Å; A1390-K1394 PolarHBondContact O-N 3.48Å; E1391-K1394 PolarHBondContact O-N 3.42Å; E1391-K1394 IonicContact OE1-NZ 2.71Å; E1391-K1394 PolarHBondContact OE1-NZ 3.21Å; S1392-K1394 VanDerWaalsContact C-N 3.33Å; S1392-K1394 PolarHBondContact O-N 3Å; K1394-G1398 PolarHBondContact O-N 3.21Å |
| 1395 | S | 71.5 | Confident | 71.4 | Confident | 71 Ų | 71 | 73.2 Ų | 73.2 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 173.6 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | E1391 S1392 G1398 Q1399 | E1391-S1395 WeakPolarHBondContact O-CB 3.06Å; E1391-S1395 PolarHBondContact O-N 3.14Å; S1392-S1395 WeakPolarHBondContact O-CB 3.41Å; S1392-S1395 PolarHBondContact O-N 3.29Å; S1392-S1395 VanDerWaalsContact O-N 3.13Å; S1395-G1398 PolarHBondContact O-N 3.24Å; S1395-Q1399 PolarHBondContact O-N 2.88Å |
| 1396 | K | 70.2 | Confident | 71.1 | Confident | 104 Ų | 104 | 75.4 Ų | 75.4 | 45% | 0.452 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -54.7 | -54.3 | 171.5 | -78.5 | -175 | 176.1 | -172.8 | 0 | 111.8 | E1336 S1392 A1393 G1398 Q1399 L1400 | E1336-K1396 WeakPolarHBondContact OE1-CD 3.36Å; E1336-K1396 WeakPolarHBondContact OE1-CE 3.32Å; E1336-K1396 IonicContact OE1-NZ 2.79Å; E1336-K1396 PolarHBondContact OE1-NZ 2.88Å; S1392-K1396 PolarHBondContact O-N 3.49Å; A1393-K1396 PolarHBondContact O-N 2.88Å; K1396-G1398 VanDerWaalsContact C-N 3.27Å; K1396-G1398 PolarHBondContact O-N 2.68Å; K1396-Q1399 WeakPolarHBondContact O-CA 3.43Å; K1396-Q1399 WeakPolarHBondContact O-CB 3.43Å; K1396-Q1399 PolarHBondContact O-N 2.9Å; K1396-L1400 WeakPolarHBondContact O-CG 2.96Å; K1396-L1400 PolarHBondContact O-N 2.9Å |
| 1397 | C | 69.9 | Low | 70.2 | Confident | 6 Ų | 6 | 75.1 Ų | 75.1 | 4% | 0.041 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -54.8 | -41.8 | 177.8 | -81.1 | 0 | 0 | 0 | 0 | 112 | A1393 Q1399 L1400 E1401 | A1393-C1397 WeakPolarHBondContact O-CB 3.29Å; A1393-C1397 PolarHBondContact O-N 3.08Å; A1393-C1397 PolarHBondContact O-SG 3.19Å; C1397-Q1399 VanDerWaalsContact C-N 3.32Å; C1397-Q1399 PolarHBondContact O-N 3.14Å; C1397-L1400 PolarHBondContact O-N 2.99Å; C1397-E1401 WeakPolarHBondContact O-CB 3.45Å; C1397-E1401 WeakPolarHBondContact O-CG 3.08Å; C1397-E1401 PolarHBondContact O-N 3.06Å |
| 1398 | G | 72.5 | Confident | 69.9 | Low | 30 Ų | 30 | 74.1 Ų | 74.1 | 31% | 0.309 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.4 | -23.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K1394 S1395 K1396 K1402 | K1394-G1398 PolarHBondContact O-N 3.21Å; S1395-G1398 PolarHBondContact O-N 3.24Å; K1396-G1398 VanDerWaalsContact C-N 3.27Å; K1396-G1398 PolarHBondContact O-N 2.68Å; G1398-K1402 WeakPolarHBondContact O-CG 3.07Å |
| 1399 | Q | 71 | Confident | 69.6 | Low | 130 Ų | 130 | 72 Ų | 72 | 61% | 0.607 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -77.2 | -48.5 | 168.1 | -69.8 | -178.1 | -6.7 | 0 | 0 | 110.8 | S1395 K1396 C1397 E1401 K1402 T1403 | S1395-Q1399 PolarHBondContact O-N 2.88Å; K1396-Q1399 WeakPolarHBondContact O-CA 3.43Å; K1396-Q1399 WeakPolarHBondContact O-CB 3.43Å; K1396-Q1399 PolarHBondContact O-N 2.9Å; C1397-Q1399 VanDerWaalsContact C-N 3.32Å; C1397-Q1399 PolarHBondContact O-N 3.14Å; Q1399-E1401 PolarHBondContact O-N 3.19Å; Q1399-K1402 PolarHBondContact O-N 2.69Å; Q1399-T1403 PolarHBondContact O-N 3.45Å; Q1399-T1403 PolarHBondContact O-OG1 3.07Å |
| 1400 | L | 66.6 | Low | 68.8 | Low | 34 Ų | 34 | 70.2 Ų | 70.2 | 18% | 0.178 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 178.4 | -67.3 | 169.5 | 0 | 0 | 0 | 112 | L1329 L1333 K1396 C1397 K1402 T1403 K1404 | L1329-L1400 HydrophobicContact CD2-CD2 3.49Å; L1329-L1400 VanDerWaalsContact CD2-CD2 3.49Å; L1333-L1400 HydrophobicContact CD1-CB 4.04Å; K1396-L1400 WeakPolarHBondContact O-CG 2.96Å; K1396-L1400 PolarHBondContact O-N 2.9Å; C1397-L1400 PolarHBondContact O-N 2.99Å; L1400-K1402 PolarHBondContact O-N 3.21Å; L1400-T1403 PolarHBondContact O-N 3.36Å; L1400-K1404 VanDerWaalsContact O-CB 3.24Å; L1400-K1404 WeakPolarHBondContact O-CB 3.24Å; L1400-K1404 PolarHBondContact O-N 3.3Å |
| 1401 | E | 68.9 | Low | 67.8 | Low | 103 Ų | 103 | 70.3 Ų | 70.3 | 48% | 0.481 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 174.8 | -78.3 | -177.3 | 161.5 | 0 | 0 | 112.5 | L1333 C1397 Q1399 A1405 | L1333-E1401 HydrophobicContact CD1-CG 4.26Å; C1397-E1401 WeakPolarHBondContact O-CB 3.45Å; C1397-E1401 WeakPolarHBondContact O-CG 3.08Å; C1397-E1401 PolarHBondContact O-N 3.06Å; Q1399-E1401 PolarHBondContact O-N 3.19Å; E1401-A1405 VanDerWaalsContact O-CB 3.24Å; E1401-A1405 WeakPolarHBondContact O-CB 3.36Å; E1401-A1405 PolarHBondContact O-N 3.23Å |
| 1402 | K | 70.4 | Confident | 67.5 | Low | 166 Ų | 166 | 70.7 Ų | 70.7 | 72% | 0.722 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.1 | -41.3 | 175.8 | -82 | -178.8 | 175.7 | -179 | 0 | 112.2 | G1398 Q1399 L1400 R1406 | G1398-K1402 WeakPolarHBondContact O-CG 3.07Å; Q1399-K1402 PolarHBondContact O-N 2.69Å; L1400-K1402 PolarHBondContact O-N 3.21Å; K1402-R1406 PolarHBondContact O-N 2.92Å; K1402-R1406 VanDerWaalsContact O-N 3.12Å |
| 1403 | T | 65.7 | Low | 67.2 | Low | 53 Ų | 53 | 73 Ų | 73 | 33% | 0.325 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.2 | -53.2 | 175.7 | -53.5 | 0 | 0 | 0 | 0 | 109.6 | L1329 Q1399 L1400 A1405 R1406 L1407 | L1329-T1403 HydrophobicContact CD1-CG2 3.7Å; Q1399-T1403 PolarHBondContact O-N 3.45Å; Q1399-T1403 PolarHBondContact O-OG1 3.07Å; L1400-T1403 PolarHBondContact O-N 3.36Å; T1403-A1405 VanDerWaalsContact C-N 3.34Å; T1403-A1405 PolarHBondContact O-N 3.46Å; T1403-R1406 PolarHBondContact O-N 2.99Å; T1403-R1406 VanDerWaalsContact O-N 3.11Å; T1403-L1407 HydrophobicContact CG2-CD1 3.84Å; T1403-L1407 HydrophobicContact CG2-CG 4.24Å; T1403-L1407 VanDerWaalsContact O-CG 3.25Å; T1403-L1407 WeakPolarHBondContact O-CG 3.23Å; T1403-L1407 PolarHBondContact O-N 3.49Å |
| 1404 | K | 67.8 | Low | 66.1 | Low | 47 Ų | 47 | 73 Ų | 73 | 20% | 0.204 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -52.7 | -46.4 | 175.6 | 178.5 | 175 | 178.8 | 174.4 | 0 | 112.7 | L1326 L1333 L1400 R1406 L1407 Q1408 | L1326-K1404 HydrophobicContact CD2-CG 3.95Å; L1333-K1404 HydrophobicContact CD2-CD 3.67Å; L1400-K1404 VanDerWaalsContact O-CB 3.24Å; L1400-K1404 WeakPolarHBondContact O-CB 3.24Å; L1400-K1404 PolarHBondContact O-N 3.3Å; K1404-R1406 PolarHBondContact O-N 2.83Å; K1404-L1407 PolarHBondContact O-N 3.07Å; K1404-Q1408 VanDerWaalsContact CE-OE1 3.28Å; K1404-Q1408 HydrophobicContact CG-CG 4.43Å; K1404-Q1408 WeakPolarHBondContact O-CB 3.04Å; K1404-Q1408 WeakPolarHBondContact O-CG 3.47Å; K1404-Q1408 PolarHBondContact O-N 3.26Å |
| 1405 | A | 67.2 | Low | 65.5 | Low | 66 Ų | 66 | 72.3 Ų | 72.3 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1401 T1403 G1409 | E1401-A1405 VanDerWaalsContact O-CB 3.24Å; E1401-A1405 WeakPolarHBondContact O-CB 3.36Å; E1401-A1405 PolarHBondContact O-N 3.23Å; T1403-A1405 VanDerWaalsContact C-N 3.34Å; T1403-A1405 PolarHBondContact O-N 3.46Å; A1405-G1409 PolarHBondContact O-N 3.35Å |
| 1406 | R | 68.6 | Low | 65.4 | Low | 143 Ų | 143 | 73 Ų | 73 | 54% | 0.54 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.6 | -50.3 | 174.1 | -159.7 | -166.1 | 79.8 | -140 | -6.5 | 110.8 | K1402 T1403 K1404 Q1408 G1409 E1410 | K1402-R1406 PolarHBondContact O-N 2.92Å; K1402-R1406 VanDerWaalsContact O-N 3.12Å; T1403-R1406 PolarHBondContact O-N 2.99Å; T1403-R1406 VanDerWaalsContact O-N 3.11Å; K1404-R1406 PolarHBondContact O-N 2.83Å; R1406-Q1408 VanDerWaalsContact C-N 3.31Å; R1406-Q1408 PolarHBondContact O-N 3.31Å; R1406-G1409 PolarHBondContact O-N 3.04Å; R1406-E1410 WeakPolarHBondContact CD-OE1 3.28Å; R1406-E1410 WeakPolarHBondContact CG-OE1 3.41Å; R1406-E1410 IonicContact CZ-OE1 3.13Å; R1406-E1410 IonicContact CZ-OE2 2.76Å; R1406-E1410 IonicContact NE-OE1 2.62Å; R1406-E1410 PolarHBondContact NE-OE1 3.25Å; R1406-E1410 IonicContact NE-OE2 2.7Å; R1406-E1410 PolarHBondContact NE-OE2 3.42Å; R1406-E1410 IonicContact NH2-OE1 3.52Å; R1406-E1410 IonicContact NH2-OE2 3.41Å; R1406-E1410 VanDerWaalsContact O-CG 3.31Å; R1406-E1410 WeakPolarHBondContact O-CG 3.42Å; R1406-E1410 PolarHBondContact O-N 3.39Å |
| 1407 | L | 55.8 | Low | 64.9 | Low | 6 Ų | 6 | 69.9 Ų | 69.9 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.7 | -34.2 | -179.3 | -59 | 170.9 | 0 | 0 | 0 | 112.3 | L1322 D1325 L1326 L1329 T1403 K1404 L1411 | L1322-L1407 HydrophobicContact CD2-CD2 3.31Å; D1325-L1407 HydrophobicContact CB-CD1 4.26Å; L1326-L1407 HydrophobicContact CD1-CB 4.1Å; L1326-L1407 HydrophobicContact CD2-CB 3.89Å; L1326-L1407 HydrophobicContact CG-CB 3.64Å; L1326-L1407 HydrophobicContact CG-CD1 4.35Å; L1329-L1407 HydrophobicContact CD1-CD1 3.34Å; T1403-L1407 HydrophobicContact CG2-CD1 3.84Å; T1403-L1407 HydrophobicContact CG2-CG 4.24Å; T1403-L1407 VanDerWaalsContact O-CG 3.25Å; T1403-L1407 WeakPolarHBondContact O-CG 3.23Å; T1403-L1407 PolarHBondContact O-N 3.49Å; K1404-L1407 PolarHBondContact O-N 3.07Å; L1407-L1411 VanDerWaalsContact O-CB 3.24Å; L1407-L1411 WeakPolarHBondContact O-CB 3.38Å; L1407-L1411 PolarHBondContact O-N 3.4Å |
| 1408 | Q | 68 | Low | 64.1 | Low | 69 Ų | 69 | 71 Ų | 71 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 174.8 | -81.2 | -166.6 | -111.9 | 0 | 0 | 112.4 | L1326 K1404 R1406 L1411 E1412 | L1326-Q1408 HydrophobicContact CD1-CG 4.05Å; L1326-Q1408 HydrophobicContact CD2-CG 3.68Å; K1404-Q1408 VanDerWaalsContact CE-OE1 3.28Å; K1404-Q1408 HydrophobicContact CG-CG 4.43Å; K1404-Q1408 WeakPolarHBondContact O-CB 3.04Å; K1404-Q1408 WeakPolarHBondContact O-CG 3.47Å; K1404-Q1408 PolarHBondContact O-N 3.26Å; R1406-Q1408 VanDerWaalsContact C-N 3.31Å; R1406-Q1408 PolarHBondContact O-N 3.31Å; Q1408-L1411 PolarHBondContact O-N 3.07Å; Q1408-E1412 PolarHBondContact O-N 3.21Å |
| 1409 | G | 67 | Low | 63.8 | Low | 37 Ų | 37 | 76.9 Ų | 76.9 | 38% | 0.381 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1405 R1406 L1411 E1412 D1413 | A1405-G1409 PolarHBondContact O-N 3.35Å; R1406-G1409 PolarHBondContact O-N 3.04Å; G1409-L1411 PolarHBondContact O-N 3.42Å; G1409-E1412 PolarHBondContact O-N 2.83Å; G1409-D1413 PolarHBondContact O-N 2.8Å |
| 1410 | E | 57.2 | Low | 63.6 | Low | 65 Ų | 65 | 77.1 Ų | 77.1 | 30% | 0.304 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 173.3 | -67.2 | 164.2 | 173.6 | 0 | 0 | 110.5 | L1322 R1406 L1414 | L1322-E1410 HydrophobicContact CD1-CB 3.95Å; R1406-E1410 WeakPolarHBondContact CD-OE1 3.28Å; R1406-E1410 WeakPolarHBondContact CG-OE1 3.41Å; R1406-E1410 IonicContact CZ-OE1 3.13Å; R1406-E1410 IonicContact CZ-OE2 2.76Å; R1406-E1410 IonicContact NE-OE1 2.62Å; R1406-E1410 PolarHBondContact NE-OE1 3.25Å; R1406-E1410 IonicContact NE-OE2 2.7Å; R1406-E1410 PolarHBondContact NE-OE2 3.42Å; R1406-E1410 IonicContact NH2-OE1 3.52Å; R1406-E1410 IonicContact NH2-OE2 3.41Å; R1406-E1410 VanDerWaalsContact O-CG 3.31Å; R1406-E1410 WeakPolarHBondContact O-CG 3.42Å; R1406-E1410 PolarHBondContact O-N 3.39Å; E1410-L1414 HydrophobicContact CB-CD1 4.4Å; E1410-L1414 WeakPolarHBondContact O-CB 3.25Å; E1410-L1414 WeakPolarHBondContact O-CD1 3.18Å; E1410-L1414 WeakPolarHBondContact O-CG 3.03Å; E1410-L1414 PolarHBondContact O-N 2.88Å; E1410-L1414 VanDerWaalsContact O-N 3.14Å |
| 1411 | L | 52.5 | Low | 63 | Low | 22 Ų | 22 | 75.8 Ų | 75.8 | 12% | 0.115 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | -179.3 | -173.6 | 74.9 | 0 | 0 | 0 | 113.8 | V1319 T1323 L1326 L1407 Q1408 G1409 L1414 M1415 | V1319-L1411 HydrophobicContact CG1-CD1 3.87Å; T1323-L1411 HydrophobicContact CG2-CD1 4.39Å; T1323-L1411 VanDerWaalsContact OG1-CD1 3.28Å; T1323-L1411 WeakPolarHBondContact OG1-CD1 3.3Å; L1326-L1411 HydrophobicContact CD1-CB 3.78Å; L1326-L1411 HydrophobicContact CD1-CD2 3.56Å; L1326-L1411 HydrophobicContact CD1-CG 4.17Å; L1407-L1411 VanDerWaalsContact O-CB 3.24Å; L1407-L1411 WeakPolarHBondContact O-CB 3.38Å; L1407-L1411 PolarHBondContact O-N 3.4Å; Q1408-L1411 PolarHBondContact O-N 3.07Å; G1409-L1411 PolarHBondContact O-N 3.42Å; L1411-L1414 PolarHBondContact O-N 2.99Å; L1411-M1415 HydrophobicContact CD2-SD 4.48Å; L1411-M1415 HydrophobicContact CG-CG 4.41Å; L1411-M1415 HydrophobicContact CG-SD 4.37Å; L1411-M1415 WeakPolarHBondContact O-CB 3.48Å; L1411-M1415 WeakPolarHBondContact O-CG 3.25Å; L1411-M1415 PolarHBondContact O-N 3.4Å |
| 1412 | E | 68.5 | Low | 62.8 | Low | 127 Ų | 127 | 75.6 Ų | 75.6 | 59% | 0.593 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.6 | -47 | -176.9 | -75.8 | -175.5 | 177.9 | 0 | 0 | 111.9 | Q1408 G1409 L1414 M1415 V1416 | Q1408-E1412 PolarHBondContact O-N 3.21Å; G1409-E1412 PolarHBondContact O-N 2.83Å; E1412-L1414 VanDerWaalsContact C-N 3.3Å; E1412-L1414 PolarHBondContact O-N 3.38Å; E1412-M1415 PolarHBondContact O-N 3.49Å; E1412-V1416 WeakPolarHBondContact O-CG2 3.26Å; E1412-V1416 PolarHBondContact O-N 2.94Å; E1412-V1416 VanDerWaalsContact O-N 3.13Å |
| 1413 | D | 67.1 | Low | 62.7 | Low | 121 Ų | 121 | 69.7 Ų | 69.7 | 65% | 0.647 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58 | -45.6 | 173.4 | -80.2 | -23.1 | 0 | 0 | 0 | 110.9 | G1409 M1415 V1416 D1417 | G1409-D1413 PolarHBondContact O-N 2.8Å; D1413-M1415 PolarHBondContact O-N 2.8Å; D1413-V1416 PolarHBondContact O-N 3.2Å; D1413-D1417 PolarHBondContact O-N 3.07Å |
| 1414 | L | 47.5 | Very low | 62.8 | Low | 10 Ų | 10 | 69.5 Ų | 69.5 | 5% | 0.052 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.2 | -37 | 179.9 | -76.6 | 169.9 | 0 | 0 | 0 | 113.4 | L1315 E1318 V1319 L1322 E1410 L1411 E1412 V1418 | L1315-L1414 HydrophobicContact CB-CD2 3.89Å; L1315-L1414 HydrophobicContact CD2-CD2 3.47Å; L1315-L1414 VanDerWaalsContact CD2-CD2 3.47Å; L1315-L1414 HydrophobicContact CG-CD2 4.27Å; L1315-L1414 WeakPolarHBondContact O-CD2 3.46Å; E1318-L1414 HydrophobicContact CB-CD1 4.04Å; E1318-L1414 HydrophobicContact CB-CD2 3.99Å; V1319-L1414 HydrophobicContact CB-CB 4.06Å; V1319-L1414 HydrophobicContact CG1-CB 3.93Å; V1319-L1414 HydrophobicContact CG2-CB 3.63Å; V1319-L1414 HydrophobicContact CG2-CD2 4.05Å; V1319-L1414 HydrophobicContact CG2-CG 4.32Å; L1322-L1414 HydrophobicContact CD1-CD1 3.31Å; E1410-L1414 HydrophobicContact CB-CD1 4.4Å; E1410-L1414 WeakPolarHBondContact O-CB 3.25Å; E1410-L1414 WeakPolarHBondContact O-CD1 3.18Å; E1410-L1414 WeakPolarHBondContact O-CG 3.03Å; E1410-L1414 PolarHBondContact O-N 2.88Å; E1410-L1414 VanDerWaalsContact O-N 3.14Å; L1411-L1414 PolarHBondContact O-N 2.99Å; E1412-L1414 VanDerWaalsContact C-N 3.3Å; E1412-L1414 PolarHBondContact O-N 3.38Å; L1414-V1418 WeakPolarHBondContact O-CB 3.38Å; L1414-V1418 WeakPolarHBondContact O-CG2 3.37Å; L1414-V1418 PolarHBondContact O-N 3.41Å |
| 1415 | M | 62 | Low | 62.3 | Low | 108 Ų | 108 | 69.3 Ų | 69.3 | 53% | 0.532 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 173.8 | -85.2 | -174.1 | 55.9 | 0 | 0 | 111.9 | V1319 L1411 E1412 D1413 D1417 V1418 E1419 | V1319-M1415 HydrophobicContact CG1-CG 4.37Å; L1411-M1415 HydrophobicContact CD2-SD 4.48Å; L1411-M1415 HydrophobicContact CG-CG 4.41Å; L1411-M1415 HydrophobicContact CG-SD 4.37Å; L1411-M1415 WeakPolarHBondContact O-CB 3.48Å; L1411-M1415 WeakPolarHBondContact O-CG 3.25Å; L1411-M1415 PolarHBondContact O-N 3.4Å; E1412-M1415 PolarHBondContact O-N 3.49Å; D1413-M1415 PolarHBondContact O-N 2.8Å; M1415-D1417 VanDerWaalsContact C-N 3.29Å; M1415-D1417 PolarHBondContact O-N 2.86Å; M1415-V1418 PolarHBondContact O-N 3.19Å; M1415-V1418 VanDerWaalsContact O-N 3.11Å; M1415-E1419 PolarHBondContact O-N 3.35Å |
| 1416 | V | 69 | Low | 62.3 | Low | 86 Ų | 86 | 68.4 Ų | 68.4 | 52% | 0.521 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 179 | 174 | 0 | 0 | 0 | 0 | 110.9 | E1412 D1413 R1420 | E1412-V1416 WeakPolarHBondContact O-CG2 3.26Å; E1412-V1416 PolarHBondContact O-N 2.94Å; E1412-V1416 VanDerWaalsContact O-N 3.13Å; D1413-V1416 PolarHBondContact O-N 3.2Å; V1416-R1420 PolarHBondContact O-N 3.01Å; V1416-R1420 VanDerWaalsContact O-N 3.13Å |
| 1417 | D | 58.9 | Low | 62.4 | Low | 39 Ų | 39 | 67.2 Ų | 67.2 | 21% | 0.209 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.2 | -34.8 | 173.5 | -81.2 | -4.1 | 0 | 0 | 0 | 112.7 | L1315 D1413 M1415 R1420 A1421 | L1315-D1417 HydrophobicContact CD1-CB 4.04Å; L1315-D1417 WeakPolarHBondContact CD1-OD2 3.48Å; D1413-D1417 PolarHBondContact O-N 3.07Å; M1415-D1417 VanDerWaalsContact C-N 3.29Å; M1415-D1417 PolarHBondContact O-N 2.86Å; D1417-R1420 IonicContact OD1-CZ 2.7Å; D1417-R1420 IonicContact OD1-NH1 3.57Å; D1417-R1420 PolarHBondContact OD1-NH1 2.88Å; D1417-R1420 IonicContact OD1-NH2 2.69Å; D1417-R1420 PolarHBondContact OD1-NH2 3.02Å; D1417-A1421 WeakPolarHBondContact O-CB 3.25Å; D1417-A1421 PolarHBondContact O-N 2.83Å |
| 1418 | V | 53.8 | Low | 62.8 | Low | 30 Ų | 30 | 69.9 Ų | 69.9 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -70.2 | -36 | 175.1 | 164.1 | 0 | 0 | 0 | 0 | 113.2 | V1319 L1414 M1415 A1421 N1422 | V1319-V1418 HydrophobicContact CB-CG2 4.46Å; V1319-V1418 HydrophobicContact CG2-CG2 3.37Å; L1414-V1418 WeakPolarHBondContact O-CB 3.38Å; L1414-V1418 WeakPolarHBondContact O-CG2 3.37Å; L1414-V1418 PolarHBondContact O-N 3.41Å; M1415-V1418 PolarHBondContact O-N 3.19Å; M1415-V1418 VanDerWaalsContact O-N 3.11Å; V1418-A1421 WeakPolarHBondContact O-CB 3.33Å; V1418-A1421 PolarHBondContact O-N 2.77Å; V1418-N1422 WeakPolarHBondContact O-CB 3.42Å; V1418-N1422 PolarHBondContact O-N 3.16Å; V1418-N1422 PolarHBondContact O-ND2 2.77Å |
| 1419 | E | 66.4 | Low | 62.6 | Low | 152 Ų | 152 | 72.5 Ų | 72.5 | 71% | 0.71 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.9 | -46.4 | 172.2 | -69.6 | -152.7 | 132.5 | 0 | 0 | 111.3 | M1415 A1421 N1422 G1423 | M1415-E1419 PolarHBondContact O-N 3.35Å; E1419-A1421 VanDerWaalsContact C-N 3.28Å; E1419-A1421 PolarHBondContact O-N 2.85Å; E1419-N1422 PolarHBondContact O-N 3.25Å; E1419-G1423 PolarHBondContact O-N 3.37Å |
| 1420 | R | 67.2 | Low | 62.8 | Low | 136 Ų | 136 | 79.4 Ų | 79.4 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 174.2 | -156.8 | -170.8 | -49.8 | 121 | 16.1 | 111.3 | V1416 D1417 G1423 L1424 | V1416-R1420 PolarHBondContact O-N 3.01Å; V1416-R1420 VanDerWaalsContact O-N 3.13Å; D1417-R1420 IonicContact OD1-CZ 2.7Å; D1417-R1420 IonicContact OD1-NH1 3.57Å; D1417-R1420 PolarHBondContact OD1-NH1 2.88Å; D1417-R1420 IonicContact OD1-NH2 2.69Å; D1417-R1420 PolarHBondContact OD1-NH2 3.02Å; R1420-G1423 PolarHBondContact O-N 2.77Å; R1420-L1424 PolarHBondContact O-N 2.93Å |
| 1421 | A | 53.5 | Low | 63.5 | Low | 6 Ų | 6 | 82.7 Ų | 82.7 | 5% | 0.05 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1312 D1417 V1418 E1419 L1424 A1425 | K1312-A1421 HydrophobicContact CD-CB 3.97Å; K1312-A1421 WeakPolarHBondContact CE-O 3.41Å; K1312-A1421 HydrophobicContact CG-CB 3.69Å; K1312-A1421 PolarHBondContact NZ-O 2.86Å; D1417-A1421 WeakPolarHBondContact O-CB 3.25Å; D1417-A1421 PolarHBondContact O-N 2.83Å; V1418-A1421 WeakPolarHBondContact O-CB 3.33Å; V1418-A1421 PolarHBondContact O-N 2.77Å; E1419-A1421 VanDerWaalsContact C-N 3.28Å; E1419-A1421 PolarHBondContact O-N 2.85Å; A1421-L1424 PolarHBondContact O-N 3.37Å; A1421-A1425 WeakPolarHBondContact O-CB 3.46Å; A1421-A1425 PolarHBondContact O-N 2.93Å |
| 1422 | N | 63.9 | Low | 64 | Low | 98 Ų | 98 | 87.3 Ų | 87.3 | 52% | 0.524 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.9 | -38 | 179.5 | -78.1 | -50.1 | 0 | 0 | 0 | 112.1 | V1418 E1419 A1425 S1426 | V1418-N1422 WeakPolarHBondContact O-CB 3.42Å; V1418-N1422 PolarHBondContact O-N 3.16Å; V1418-N1422 PolarHBondContact O-ND2 2.77Å; E1419-N1422 PolarHBondContact O-N 3.25Å; N1422-A1425 PolarHBondContact O-N 3.38Å; N1422-S1426 PolarHBondContact O-N 3.2Å |
| 1423 | G | 69.4 | Low | 64.2 | Low | 42 Ų | 42 | 86 Ų | 86 | 43% | 0.433 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.3 | -48.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1419 R1420 Q1427 | E1419-G1423 PolarHBondContact O-N 3.37Å; R1420-G1423 PolarHBondContact O-N 2.77Å; G1423-Q1427 PolarHBondContact O-N 3.21Å; G1423-Q1427 VanDerWaalsContact O-N 3.07Å |
| 1424 | L | 67.7 | Low | 64.6 | Low | 49 Ų | 49 | 85.4 Ų | 85.4 | 26% | 0.257 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 174.1 | -96.2 | 163 | 0 | 0 | 0 | 112.5 | R1420 A1421 Q1427 L1428 | R1420-L1424 PolarHBondContact O-N 2.93Å; A1421-L1424 PolarHBondContact O-N 3.37Å; L1424-Q1427 PolarHBondContact O-N 3.02Å; L1424-L1428 WeakPolarHBondContact O-CB 3.44Å; L1424-L1428 VanDerWaalsContact O-CG 3.31Å; L1424-L1428 WeakPolarHBondContact O-CG 3.34Å; L1424-L1428 PolarHBondContact O-N 3.45Å |
| 1425 | A | 56.9 | Low | 65.7 | Low | 43 Ų | 43 | 90.7 Ų | 90.7 | 36% | 0.355 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1421 N1422 Q1427 L1428 E1429 | A1421-A1425 WeakPolarHBondContact O-CB 3.46Å; A1421-A1425 PolarHBondContact O-N 2.93Å; N1422-A1425 PolarHBondContact O-N 3.38Å; A1425-Q1427 VanDerWaalsContact C-N 3.34Å; A1425-Q1427 PolarHBondContact O-N 3.47Å; A1425-L1428 PolarHBondContact O-N 3.02Å; A1425-E1429 WeakPolarHBondContact O-CB 3.36Å; A1425-E1429 PolarHBondContact O-N 3Å |
| 1426 | S | 68.3 | Low | 66.1 | Low | 47 Ų | 47 | 89.6 Ų | 89.6 | 33% | 0.329 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.7 | -29.9 | 177.5 | -162.5 | 0 | 0 | 0 | 0 | 112.8 | N1422 R1430 | N1422-S1426 PolarHBondContact O-N 3.2Å; S1426-R1430 WeakPolarHBondContact O-CB 3.5Å; S1426-R1430 WeakPolarHBondContact O-CD 3.16Å; S1426-R1430 WeakPolarHBondContact O-CG 3.37Å; S1426-R1430 PolarHBondContact O-N 3.3Å; S1426-R1430 VanDerWaalsContact O-N 3.17Å |
| 1427 | Q | 70.8 | Confident | 66.5 | Low | 119 Ų | 119 | 93.2 Ų | 93.2 | 56% | 0.556 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.5 | -43.1 | 168.5 | -79.4 | -160.4 | 15.4 | 0 | 0 | 112.7 | G1423 L1424 A1425 R1430 K1431 | G1423-Q1427 PolarHBondContact O-N 3.21Å; G1423-Q1427 VanDerWaalsContact O-N 3.07Å; L1424-Q1427 PolarHBondContact O-N 3.02Å; A1425-Q1427 VanDerWaalsContact C-N 3.34Å; A1425-Q1427 PolarHBondContact O-N 3.47Å; Q1427-R1430 PolarHBondContact O-N 3.22Å; Q1427-K1431 WeakPolarHBondContact O-CG 3.41Å; Q1427-K1431 PolarHBondContact O-N 2.79Å |
| 1428 | L | 63.1 | Low | 67.4 | Low | 62 Ų | 62 | 94.5 Ų | 94.5 | 33% | 0.325 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.1 | -43.3 | -179.6 | -72.7 | 166.2 | 0 | 0 | 0 | 111.6 | L1305 L1424 A1425 R1430 K1431 Q1432 | L1305-L1428 HydrophobicContact CD1-CD1 4.5Å; L1424-L1428 WeakPolarHBondContact O-CB 3.44Å; L1424-L1428 VanDerWaalsContact O-CG 3.31Å; L1424-L1428 WeakPolarHBondContact O-CG 3.34Å; L1424-L1428 PolarHBondContact O-N 3.45Å; A1425-L1428 PolarHBondContact O-N 3.02Å; L1428-R1430 VanDerWaalsContact C-N 3.3Å; L1428-R1430 PolarHBondContact O-N 3.36Å; L1428-K1431 WeakPolarHBondContact O-CB 3.44Å; L1428-K1431 PolarHBondContact O-N 3.25Å; L1428-K1431 VanDerWaalsContact O-N 3.1Å; L1428-Q1432 PolarHBondContact O-N 2.81Å |
| 1429 | E | 64.5 | Low | 68.2 | Low | 123 Ų | 123 | 96.4 Ų | 96.4 | 58% | 0.575 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.9 | -39.7 | 174.2 | -173.3 | -179.8 | -138.9 | 0 | 0 | 111.5 | A1425 N1433 | A1425-E1429 WeakPolarHBondContact O-CB 3.36Å; A1425-E1429 PolarHBondContact O-N 3Å; E1429-N1433 WeakPolarHBondContact O-CB 3.36Å; E1429-N1433 PolarHBondContact O-N 3.13Å; E1429-N1433 PolarHBondContact O-ND2 2.86Å |
| 1430 | R | 71.5 | Confident | 68.6 | Low | 182 Ų | 182 | 91.5 Ų | 91.5 | 69% | 0.687 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.3 | -42.6 | 171.9 | -72.7 | 171.3 | -168.8 | -153.2 | 2.4 | 112.4 | S1426 Q1427 L1428 N1434 | S1426-R1430 WeakPolarHBondContact O-CB 3.5Å; S1426-R1430 WeakPolarHBondContact O-CD 3.16Å; S1426-R1430 WeakPolarHBondContact O-CG 3.37Å; S1426-R1430 PolarHBondContact O-N 3.3Å; S1426-R1430 VanDerWaalsContact O-N 3.17Å; Q1427-R1430 PolarHBondContact O-N 3.22Å; L1428-R1430 VanDerWaalsContact C-N 3.3Å; L1428-R1430 PolarHBondContact O-N 3.36Å; R1430-N1434 PolarHBondContact O-N 3.34Å |
| 1431 | K | 71.7 | Confident | 69.2 | Low | 135 Ų | 135 | 89.2 Ų | 89.2 | 59% | 0.587 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.4 | -46.5 | 176.1 | -78.4 | 176.5 | 177.3 | 176.3 | 0 | 111.5 | Q1427 L1428 N1434 F1435 | Q1427-K1431 WeakPolarHBondContact O-CG 3.41Å; Q1427-K1431 PolarHBondContact O-N 2.79Å; L1428-K1431 WeakPolarHBondContact O-CB 3.44Å; L1428-K1431 PolarHBondContact O-N 3.25Å; L1428-K1431 VanDerWaalsContact O-N 3.1Å; K1431-N1434 PolarHBondContact O-N 3.34Å; K1431-F1435 PolarHBondContact O-N 3.11Å |
| 1432 | Q | 63.1 | Low | 70.4 | Confident | 119 Ų | 119 | 97 Ų | 97 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -70.1 | -38.1 | -178.2 | -166.7 | 166.8 | 10.9 | 0 | 0 | 112.2 | L1428 N1434 F1435 N1436 | L1428-Q1432 PolarHBondContact O-N 2.81Å; Q1432-N1434 VanDerWaalsContact C-N 3.34Å; Q1432-N1434 PolarHBondContact O-N 3.22Å; Q1432-F1435 PolarHBondContact O-N 2.83Å; Q1432-N1436 WeakPolarHBondContact O-CB 3.25Å; Q1432-N1436 PolarHBondContact O-N 3.09Å; Q1432-N1436 PolarHBondContact O-OD1 2.87Å |
| 1433 | N | 72.4 | Confident | 70.9 | Confident | 99 Ų | 99 | 98.4 Ų | 98.4 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 171.2 | -82 | -64.4 | 0 | 0 | 0 | 112.6 | E1429 R1437 | E1429-N1433 WeakPolarHBondContact O-CB 3.36Å; E1429-N1433 PolarHBondContact O-N 3.13Å; E1429-N1433 PolarHBondContact O-ND2 2.86Å; N1433-R1437 WeakPolarHBondContact O-CB 3.46Å; N1433-R1437 PolarHBondContact O-N 3.25Å; N1433-R1437 VanDerWaalsContact O-N 3.08Å |
| 1434 | N | 74.6 | Confident | 71.5 | Confident | 109 Ų | 109 | 102.8 Ų | 102.8 | 58% | 0.583 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 172.8 | -115.2 | 11.4 | 0 | 0 | 0 | 111.7 | R1430 K1431 Q1432 R1437 T1438 | R1430-N1434 PolarHBondContact O-N 3.34Å; K1431-N1434 PolarHBondContact O-N 3.34Å; Q1432-N1434 VanDerWaalsContact C-N 3.34Å; Q1432-N1434 PolarHBondContact O-N 3.22Å; N1434-R1437 WeakPolarHBondContact O-CB 3.49Å; N1434-R1437 PolarHBondContact O-N 2.94Å; N1434-T1438 PolarHBondContact O-N 2.94Å; N1434-T1438 PolarHBondContact O-OG1 3.39Å; N1434-T1438 VanDerWaalsContact O-OG1 3.06Å |
| 1435 | F | 71 | Confident | 72.2 | Confident | 121 Ų | 121 | 105.9 Ų | 105.9 | 53% | 0.531 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | -179.9 | -166.5 | -92.8 | 0 | 0 | 0 | 112.1 | K1431 Q1432 R1437 T1438 L1439 | K1431-F1435 PolarHBondContact O-N 3.11Å; Q1432-F1435 PolarHBondContact O-N 2.83Å; F1435-R1437 VanDerWaalsContact C-N 3.28Å; F1435-R1437 PolarHBondContact O-N 2.89Å; F1435-T1438 PolarHBondContact O-N 2.8Å; F1435-T1438 VanDerWaalsContact O-N 3.15Å; F1435-L1439 HydrophobicContact CE1-CD1 3.87Å; F1435-L1439 WeakPolarHBondContact O-CB 3.45Å; F1435-L1439 PolarHBondContact O-N 2.77Å |
| 1436 | N | 69.7 | Low | 73.2 | Confident | 84 Ų | 84 | 111.6 Ų | 111.6 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.2 | -40.8 | 174.2 | -72 | -7.5 | 0 | 0 | 0 | 111.4 | Q1432 L1439 A1440 | Q1432-N1436 WeakPolarHBondContact O-CB 3.25Å; Q1432-N1436 PolarHBondContact O-N 3.09Å; Q1432-N1436 PolarHBondContact O-OD1 2.87Å; N1436-L1439 PolarHBondContact O-N 3.06Å; N1436-A1440 VanDerWaalsContact O-CB 3.32Å; N1436-A1440 WeakPolarHBondContact O-CB 3.33Å; N1436-A1440 PolarHBondContact O-N 2.77Å |
| 1437 | R | 77.5 | Confident | 73.7 | Confident | 162 Ų | 162 | 111.9 Ų | 111.9 | 61% | 0.611 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.1 | -47.7 | 173.5 | 177.9 | -179.9 | 172.7 | 164.6 | 1.7 | 112 | N1433 N1434 F1435 L1439 A1440 E1441 | N1433-R1437 WeakPolarHBondContact O-CB 3.46Å; N1433-R1437 PolarHBondContact O-N 3.25Å; N1433-R1437 VanDerWaalsContact O-N 3.08Å; N1434-R1437 WeakPolarHBondContact O-CB 3.49Å; N1434-R1437 PolarHBondContact O-N 2.94Å; F1435-R1437 VanDerWaalsContact C-N 3.28Å; F1435-R1437 PolarHBondContact O-N 2.89Å; R1437-L1439 VanDerWaalsContact C-N 3.3Å; R1437-L1439 PolarHBondContact O-N 3.04Å; R1437-A1440 PolarHBondContact O-N 2.86Å; R1437-E1441 WeakPolarHBondContact CG-OE1 3.29Å; R1437-E1441 IonicContact CZ-OE1 2.71Å; R1437-E1441 IonicContact NE-OE1 3.69Å; R1437-E1441 PolarHBondContact NE-OE1 2.77Å; R1437-E1441 IonicContact NH2-OE1 3.62Å; R1437-E1441 WeakPolarHBondContact O-CB 3.37Å; R1437-E1441 WeakPolarHBondContact O-CG 3.31Å; R1437-E1441 PolarHBondContact O-N 2.85Å |
| 1438 | T | 78.3 | Confident | 74.3 | Confident | 67 Ų | 67 | 109.7 Ų | 109.7 | 41% | 0.411 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 177.4 | -52.7 | 0 | 0 | 0 | 0 | 111.7 | N1434 F1435 E1441 W1442 | N1434-T1438 PolarHBondContact O-N 2.94Å; N1434-T1438 PolarHBondContact O-OG1 3.39Å; N1434-T1438 VanDerWaalsContact O-OG1 3.06Å; F1435-T1438 PolarHBondContact O-N 2.8Å; F1435-T1438 VanDerWaalsContact O-N 3.15Å; T1438-E1441 PolarHBondContact O-N 3.2Å; T1438-W1442 VanDerWaalsContact O-CD1 3.24Å; T1438-W1442 PolarHBondContact O-N 2.85Å |
| 1439 | L | 71 | Confident | 75.1 | Confident | 69 Ų | 69 | 110.1 Ų | 110.1 | 36% | 0.361 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.9 | -39.1 | 179.3 | -167.1 | 146.8 | 0 | 0 | 0 | 111.7 | F1435 N1436 R1437 W1442 Q1443 | F1435-L1439 HydrophobicContact CE1-CD1 3.87Å; F1435-L1439 WeakPolarHBondContact O-CB 3.45Å; F1435-L1439 PolarHBondContact O-N 2.77Å; N1436-L1439 PolarHBondContact O-N 3.06Å; R1437-L1439 VanDerWaalsContact C-N 3.3Å; R1437-L1439 PolarHBondContact O-N 3.04Å; L1439-W1442 PolarHBondContact O-N 2.9Å; L1439-Q1443 HydrophobicContact CD2-CG 4.1Å; L1439-Q1443 WeakPolarHBondContact O-CB 3.29Å; L1439-Q1443 WeakPolarHBondContact O-CG 3.36Å; L1439-Q1443 PolarHBondContact O-N 3.39Å |
| 1440 | A | 75 | Confident | 75.8 | Confident | 50 Ų | 50 | 108.2 Ų | 108.2 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1436 R1437 W1442 Q1443 K1444 | N1436-A1440 VanDerWaalsContact O-CB 3.32Å; N1436-A1440 WeakPolarHBondContact O-CB 3.33Å; N1436-A1440 PolarHBondContact O-N 2.77Å; R1437-A1440 PolarHBondContact O-N 2.86Å; A1440-W1442 VanDerWaalsContact C-N 3.32Å; A1440-W1442 PolarHBondContact O-N 3.16Å; A1440-Q1443 PolarHBondContact O-N 3.41Å; A1440-K1444 WeakPolarHBondContact O-CB 3.31Å; A1440-K1444 PolarHBondContact O-N 2.81Å |
| 1441 | E | 79.4 | Confident | 76.3 | Confident | 88 Ų | 88 | 101.9 Ų | 101.9 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -35.5 | 174 | -74.8 | 175.5 | -162.4 | 0 | 0 | 111.8 | R1437 T1438 K1445 | R1437-E1441 WeakPolarHBondContact CG-OE1 3.29Å; R1437-E1441 IonicContact CZ-OE1 2.71Å; R1437-E1441 IonicContact NE-OE1 3.69Å; R1437-E1441 PolarHBondContact NE-OE1 2.77Å; R1437-E1441 IonicContact NH2-OE1 3.62Å; R1437-E1441 WeakPolarHBondContact O-CB 3.37Å; R1437-E1441 WeakPolarHBondContact O-CG 3.31Å; R1437-E1441 PolarHBondContact O-N 2.85Å; T1438-E1441 PolarHBondContact O-N 3.2Å; E1441-K1445 WeakPolarHBondContact O-CG 3.43Å; E1441-K1445 PolarHBondContact O-N 3.45Å; E1441-K1445 VanDerWaalsContact O-N 3.13Å |
| 1442 | W | 78.7 | Confident | 76.9 | Confident | 168 Ų | 168 | 101.8 Ų | 101.8 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -73.9 | -43.3 | 172.8 | -83.4 | 111.8 | 0 | 0 | 0 | 113.7 | T1438 L1439 A1440 K1444 K1445 Y1446 | T1438-W1442 VanDerWaalsContact O-CD1 3.24Å; T1438-W1442 PolarHBondContact O-N 2.85Å; L1439-W1442 PolarHBondContact O-N 2.9Å; A1440-W1442 VanDerWaalsContact C-N 3.32Å; A1440-W1442 PolarHBondContact O-N 3.16Å; W1442-K1444 VanDerWaalsContact C-N 3.29Å; W1442-K1444 PolarHBondContact O-N 2.87Å; W1442-K1445 HydrophobicContact CE3-CD 4.37Å; W1442-K1445 PolarHBondContact O-N 2.83Å; W1442-Y1446 WeakPolarHBondContact O-CB 3.45Å; W1442-Y1446 PolarHBondContact O-N 3.09Å |
| 1443 | Q | 75.5 | Confident | 77.7 | Confident | 128 Ų | 128 | 101 Ų | 101 | 60% | 0.598 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.7 | -42.6 | 174 | -79.1 | -179.9 | -22.9 | 0 | 0 | 111.1 | L1439 A1440 Y1446 A1447 | L1439-Q1443 HydrophobicContact CD2-CG 4.1Å; L1439-Q1443 WeakPolarHBondContact O-CB 3.29Å; L1439-Q1443 WeakPolarHBondContact O-CG 3.36Å; L1439-Q1443 PolarHBondContact O-N 3.39Å; A1440-Q1443 PolarHBondContact O-N 3.41Å; Q1443-Y1446 PolarHBondContact O-N 3.44Å; Q1443-A1447 WeakPolarHBondContact O-CB 3.44Å; Q1443-A1447 PolarHBondContact O-N 2.81Å |
| 1444 | K | 81.2 | Confident | 78.1 | Confident | 134 Ų | 134 | 100.9 Ų | 100.9 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.1 | -50.5 | 175.4 | -164.1 | -159.5 | 171.6 | -154 | 0 | 111.4 | A1440 W1442 Y1446 A1447 D1448 | A1440-K1444 WeakPolarHBondContact O-CB 3.31Å; A1440-K1444 PolarHBondContact O-N 2.81Å; W1442-K1444 VanDerWaalsContact C-N 3.29Å; W1442-K1444 PolarHBondContact O-N 2.87Å; K1444-Y1446 VanDerWaalsContact C-N 3.27Å; K1444-Y1446 PolarHBondContact O-N 2.68Å; K1444-A1447 PolarHBondContact O-N 3.37Å; K1444-A1447 VanDerWaalsContact O-N 3.13Å; K1444-D1448 WeakPolarHBondContact CE-OD2 3.48Å; K1444-D1448 IonicContact NZ-OD2 2.72Å; K1444-D1448 PolarHBondContact NZ-OD2 2.8Å; K1444-D1448 WeakPolarHBondContact O-CB 3.37Å; K1444-D1448 VanDerWaalsContact O-CG 3.25Å; K1444-D1448 PolarHBondContact O-N 3.31Å |
| 1445 | K | 82 | Confident | 78.5 | Confident | 115 Ų | 115 | 99.4 Ų | 99.4 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -55.3 | -42.3 | 176.5 | -77.4 | 172.7 | -178.7 | 175.5 | 0 | 112.5 | E1441 W1442 S1449 | E1441-K1445 WeakPolarHBondContact O-CG 3.43Å; E1441-K1445 PolarHBondContact O-N 3.45Å; E1441-K1445 VanDerWaalsContact O-N 3.13Å; W1442-K1445 HydrophobicContact CE3-CD 4.37Å; W1442-K1445 PolarHBondContact O-N 2.83Å; K1445-S1449 WeakPolarHBondContact O-CB 3.39Å; K1445-S1449 PolarHBondContact O-N 2.92Å; K1445-S1449 PolarHBondContact O-OG 3.4Å |
| 1446 | Y | 78.2 | Confident | 79.1 | Confident | 163 Ų | 163 | 96.5 Ų | 96.5 | 64% | 0.639 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 177.1 | -179 | -95.5 | 0 | 0 | 0 | 112 | W1442 Q1443 K1444 S1449 Q1450 | W1442-Y1446 WeakPolarHBondContact O-CB 3.45Å; W1442-Y1446 PolarHBondContact O-N 3.09Å; Q1443-Y1446 PolarHBondContact O-N 3.44Å; K1444-Y1446 VanDerWaalsContact C-N 3.27Å; K1444-Y1446 PolarHBondContact O-N 2.68Å; Y1446-S1449 PolarHBondContact O-N 2.99Å; Y1446-Q1450 VanDerWaalsContact CE1-OE1 3.25Å; Y1446-Q1450 VanDerWaalsContact O-CB 3.3Å; Y1446-Q1450 WeakPolarHBondContact O-CB 3.48Å; Y1446-Q1450 PolarHBondContact O-N 3.15Å |
| 1447 | A | 78.5 | Confident | 79.6 | Confident | 53 Ų | 53 | 96.6 Ų | 96.6 | 44% | 0.438 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1443 K1444 Q1450 A1451 | Q1443-A1447 WeakPolarHBondContact O-CB 3.44Å; Q1443-A1447 PolarHBondContact O-N 2.81Å; K1444-A1447 PolarHBondContact O-N 3.37Å; K1444-A1447 VanDerWaalsContact O-N 3.13Å; A1447-Q1450 PolarHBondContact O-N 2.87Å; A1447-A1451 WeakPolarHBondContact O-CB 3.18Å; A1447-A1451 PolarHBondContact O-N 3.41Å |
| 1448 | D | 84.1 | Confident | 79.9 | Confident | 73 Ų | 73 | 95.7 Ų | 95.7 | 39% | 0.39 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.7 | -50.5 | 175.5 | -68.3 | -18.6 | 0 | 0 | 0 | 109.7 | K1444 Q1450 A1451 E1452 | K1444-D1448 WeakPolarHBondContact CE-OD2 3.48Å; K1444-D1448 IonicContact NZ-OD2 2.72Å; K1444-D1448 PolarHBondContact NZ-OD2 2.8Å; K1444-D1448 WeakPolarHBondContact O-CB 3.37Å; K1444-D1448 VanDerWaalsContact O-CG 3.25Å; K1444-D1448 PolarHBondContact O-N 3.31Å; D1448-Q1450 PolarHBondContact O-N 3.34Å; D1448-A1451 PolarHBondContact O-N 2.69Å; D1448-E1452 WeakPolarHBondContact O-CG 3.34Å; D1448-E1452 PolarHBondContact O-N 2.86Å |
| 1449 | S | 78.5 | Confident | 80.2 | Confident | 70 Ų | 70 | 97.3 Ų | 97.3 | 49% | 0.49 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.3 | -32.7 | 176.9 | -65.2 | 0 | 0 | 0 | 0 | 114.2 | K1445 Y1446 L1453 | K1445-S1449 WeakPolarHBondContact O-CB 3.39Å; K1445-S1449 PolarHBondContact O-N 2.92Å; K1445-S1449 PolarHBondContact O-OG 3.4Å; Y1446-S1449 PolarHBondContact O-N 2.99Å; S1449-L1453 WeakPolarHBondContact O-CB 3.44Å; S1449-L1453 PolarHBondContact O-N 3.21Å |
| 1450 | Q | 80.5 | Confident | 80.7 | Confident | 83 Ų | 83 | 96.7 Ų | 96.7 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.9 | -37.9 | 174.7 | -174.1 | 176.1 | -14.7 | 0 | 0 | 111.2 | Y1446 A1447 D1448 L1453 E1454 | Y1446-Q1450 VanDerWaalsContact CE1-OE1 3.25Å; Y1446-Q1450 VanDerWaalsContact O-CB 3.3Å; Y1446-Q1450 WeakPolarHBondContact O-CB 3.48Å; Y1446-Q1450 PolarHBondContact O-N 3.15Å; A1447-Q1450 PolarHBondContact O-N 2.87Å; D1448-Q1450 PolarHBondContact O-N 3.34Å; Q1450-L1453 PolarHBondContact O-N 2.97Å; Q1450-E1454 PolarHBondContact O-N 2.88Å |
| 1451 | A | 82.4 | Confident | 81.1 | Confident | 49 Ų | 49 | 102 Ų | 102 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1447 D1448 E1454 N1455 | A1447-A1451 WeakPolarHBondContact O-CB 3.18Å; A1447-A1451 PolarHBondContact O-N 3.41Å; D1448-A1451 PolarHBondContact O-N 2.69Å; A1451-E1454 PolarHBondContact O-N 2.86Å; A1451-N1455 WeakPolarHBondContact O-CB 3.42Å; A1451-N1455 VanDerWaalsContact O-CG 3.28Å; A1451-N1455 PolarHBondContact O-N 3.17Å; A1451-N1455 PolarHBondContact O-ND2 3.44Å |
| 1452 | E | 82.4 | Confident | 81.3 | Confident | 133 Ų | 133 | 99.6 Ų | 99.6 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.2 | -45.4 | 171.3 | -73.5 | 179.3 | 164.5 | 0 | 0 | 111.7 | D1448 N1455 A1456 | D1448-E1452 WeakPolarHBondContact O-CG 3.34Å; D1448-E1452 PolarHBondContact O-N 2.86Å; E1452-N1455 PolarHBondContact O-N 3.37Å; E1452-A1456 WeakPolarHBondContact O-CB 3.42Å; E1452-A1456 PolarHBondContact O-N 3.2Å |
| 1453 | L | 79.9 | Confident | 81.5 | Confident | 103 Ų | 103 | 97.7 Ų | 97.7 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 176.8 | 179.6 | 62.7 | 0 | 0 | 0 | 112.5 | S1449 Q1450 Q1457 | S1449-L1453 WeakPolarHBondContact O-CB 3.44Å; S1449-L1453 PolarHBondContact O-N 3.21Å; Q1450-L1453 PolarHBondContact O-N 2.97Å; L1453-Q1457 WeakPolarHBondContact O-CB 3.35Å; L1453-Q1457 WeakPolarHBondContact O-CG 3.12Å; L1453-Q1457 PolarHBondContact O-N 2.92Å |
| 1454 | E | 80.8 | Confident | 81.9 | Confident | 97 Ų | 97 | 94.7 Ų | 94.7 | 45% | 0.453 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 176.1 | -80.3 | -167 | -164.4 | 0 | 0 | 112.4 | Q1450 A1451 Q1457 R1458 | Q1450-E1454 PolarHBondContact O-N 2.88Å; A1451-E1454 PolarHBondContact O-N 2.86Å; E1454-Q1457 PolarHBondContact O-N 3.29Å; E1454-R1458 VanDerWaalsContact O-CB 3.26Å; E1454-R1458 WeakPolarHBondContact O-CB 3.44Å; E1454-R1458 PolarHBondContact O-N 3.04Å; E1454-R1458 IonicContact OE2-NH2 2.72Å |
| 1455 | N | 84.1 | Confident | 82 | Confident | 78 Ų | 78 | 92.9 Ų | 92.9 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.4 | -47.6 | 175.5 | -72.4 | -29.4 | 0 | 0 | 0 | 111.2 | A1451 E1452 Q1457 R1458 D1459 | A1451-N1455 WeakPolarHBondContact O-CB 3.42Å; A1451-N1455 VanDerWaalsContact O-CG 3.28Å; A1451-N1455 PolarHBondContact O-N 3.17Å; A1451-N1455 PolarHBondContact O-ND2 3.44Å; E1452-N1455 PolarHBondContact O-N 3.37Å; N1455-Q1457 VanDerWaalsContact C-N 3.29Å; N1455-Q1457 PolarHBondContact O-N 3.17Å; N1455-R1458 WeakPolarHBondContact O-CA 3.46Å; N1455-R1458 WeakPolarHBondContact O-CB 3.4Å; N1455-R1458 PolarHBondContact O-N 2.81Å; N1455-R1458 PolarHBondContact OD1-NH1 3.11Å; N1455-D1459 PolarHBondContact O-N 3.31Å |
| 1456 | A | 82.4 | Confident | 82.2 | Confident | 59 Ų | 59 | 93.3 Ų | 93.3 | 49% | 0.488 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59 | -38.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1452 A1460 | E1452-A1456 WeakPolarHBondContact O-CB 3.42Å; E1452-A1456 PolarHBondContact O-N 3.2Å; A1456-A1460 VanDerWaalsContact O-CB 3.31Å; A1456-A1460 WeakPolarHBondContact O-CB 3.18Å; A1456-A1460 PolarHBondContact O-N 3.34Å |
| 1457 | Q | 81.5 | Confident | 82.4 | Confident | 87 Ų | 87 | 90.3 Ų | 90.3 | 41% | 0.407 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69 | -35.4 | 172.4 | -75.8 | -169.2 | 33.2 | 0 | 0 | 113.3 | L1453 E1454 N1455 R1461 | L1453-Q1457 WeakPolarHBondContact O-CB 3.35Å; L1453-Q1457 WeakPolarHBondContact O-CG 3.12Å; L1453-Q1457 PolarHBondContact O-N 2.92Å; E1454-Q1457 PolarHBondContact O-N 3.29Å; N1455-Q1457 VanDerWaalsContact C-N 3.29Å; N1455-Q1457 PolarHBondContact O-N 3.17Å; Q1457-R1461 WeakPolarHBondContact O-CB 3.45Å; Q1457-R1461 VanDerWaalsContact O-CG 3.22Å; Q1457-R1461 WeakPolarHBondContact O-CG 3.42Å; Q1457-R1461 PolarHBondContact O-N 3.12Å |
| 1458 | R | 83.6 | Confident | 82.6 | Confident | 142 Ų | 142 | 94.8 Ų | 94.8 | 54% | 0.536 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 177.9 | -171.8 | 177.4 | -71.1 | 125.4 | 1.2 | 110.4 | E1454 N1455 R1461 G1462 | E1454-R1458 VanDerWaalsContact O-CB 3.26Å; E1454-R1458 WeakPolarHBondContact O-CB 3.44Å; E1454-R1458 PolarHBondContact O-N 3.04Å; E1454-R1458 IonicContact OE2-NH2 2.72Å; N1455-R1458 WeakPolarHBondContact O-CA 3.46Å; N1455-R1458 WeakPolarHBondContact O-CB 3.4Å; N1455-R1458 PolarHBondContact O-N 2.81Å; N1455-R1458 PolarHBondContact OD1-NH1 3.11Å; R1458-R1461 PolarHBondContact O-N 2.92Å; R1458-G1462 PolarHBondContact O-N 3.38Å |
| 1459 | D | 84.6 | Confident | 82.8 | Confident | 102 Ų | 102 | 99.4 Ų | 99.4 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 177 | -66 | -14.9 | 0 | 0 | 0 | 111.9 | N1455 R1461 G1462 Q1463 | N1455-D1459 PolarHBondContact O-N 3.31Å; D1459-R1461 VanDerWaalsContact C-N 3.32Å; D1459-R1461 PolarHBondContact O-N 3.5Å; D1459-G1462 WeakPolarHBondContact O-CA 3.38Å; D1459-G1462 PolarHBondContact O-N 3.47Å; D1459-Q1463 WeakPolarHBondContact O-CG 3.41Å; D1459-Q1463 PolarHBondContact O-N 3.25Å |
| 1460 | A | 80.9 | Confident | 83 | Confident | 56 Ų | 56 | 101 Ų | 101 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -37.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1456 S1464 | A1456-A1460 VanDerWaalsContact O-CB 3.31Å; A1456-A1460 WeakPolarHBondContact O-CB 3.18Å; A1456-A1460 PolarHBondContact O-N 3.34Å; A1460-S1464 VanDerWaalsContact O-CB 3.31Å; A1460-S1464 WeakPolarHBondContact O-CB 3.32Å; A1460-S1464 PolarHBondContact O-N 3.15Å |
| 1461 | R | 83.2 | Confident | 83.2 | Confident | 161 Ų | 161 | 103 Ų | 103 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.6 | -36.5 | 171.7 | -70.2 | 175 | -148.3 | -177.5 | 9.7 | 111.9 | Q1457 R1458 D1459 S1464 T1465 | Q1457-R1461 WeakPolarHBondContact O-CB 3.45Å; Q1457-R1461 VanDerWaalsContact O-CG 3.22Å; Q1457-R1461 WeakPolarHBondContact O-CG 3.42Å; Q1457-R1461 PolarHBondContact O-N 3.12Å; R1458-R1461 PolarHBondContact O-N 2.92Å; D1459-R1461 VanDerWaalsContact C-N 3.32Å; D1459-R1461 PolarHBondContact O-N 3.5Å; R1461-S1464 PolarHBondContact O-N 2.86Å; R1461-T1465 WeakPolarHBondContact O-CB 3.25Å; R1461-T1465 PolarHBondContact O-N 2.83Å; R1461-T1465 PolarHBondContact O-OG1 2.62Å |
| 1462 | G | 84.4 | Confident | 83.3 | Confident | 38 Ų | 38 | 103.1 Ų | 103.1 | 39% | 0.392 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.9 | -55.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1458 D1459 S1464 T1465 E1466 | R1458-G1462 PolarHBondContact O-N 3.38Å; D1459-G1462 WeakPolarHBondContact O-CA 3.38Å; D1459-G1462 PolarHBondContact O-N 3.47Å; G1462-S1464 VanDerWaalsContact C-N 3.34Å; G1462-S1464 PolarHBondContact O-N 3.01Å; G1462-T1465 WeakPolarHBondContact O-CB 3.32Å; G1462-T1465 PolarHBondContact O-N 2.84Å; G1462-T1465 VanDerWaalsContact O-N 3.1Å; G1462-E1466 PolarHBondContact O-N 3.33Å |
| 1463 | Q | 83.8 | Confident | 83.4 | Confident | 128 Ų | 128 | 100.9 Ų | 100.9 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.1 | -41.5 | 176.8 | -67.6 | 176.2 | 5.1 | 0 | 0 | 112.4 | D1459 T1465 E1466 I1467 | D1459-Q1463 WeakPolarHBondContact O-CG 3.41Å; D1459-Q1463 PolarHBondContact O-N 3.25Å; Q1463-T1465 VanDerWaalsContact C-N 3.33Å; Q1463-T1465 PolarHBondContact O-N 3.37Å; Q1463-E1466 PolarHBondContact O-N 3.33Å; Q1463-I1467 WeakPolarHBondContact O-CG1 3.43Å; Q1463-I1467 PolarHBondContact O-N 3.01Å |
| 1464 | S | 83.4 | Confident | 83.6 | Confident | 64 Ų | 64 | 102 Ų | 102 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 175.1 | -173.7 | 0 | 0 | 0 | 0 | 112.4 | A1460 R1461 G1462 I1467 F1468 | A1460-S1464 VanDerWaalsContact O-CB 3.31Å; A1460-S1464 WeakPolarHBondContact O-CB 3.32Å; A1460-S1464 PolarHBondContact O-N 3.15Å; R1461-S1464 PolarHBondContact O-N 2.86Å; G1462-S1464 VanDerWaalsContact C-N 3.34Å; G1462-S1464 PolarHBondContact O-N 3.01Å; S1464-I1467 PolarHBondContact O-N 3.25Å; S1464-F1468 PolarHBondContact O-N 3.36Å |
| 1465 | T | 83.6 | Confident | 83.7 | Confident | 96 Ų | 96 | 103.4 Ų | 103.4 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.8 | -39.3 | 175.7 | -53 | 0 | 0 | 0 | 0 | 111.4 | R1461 G1462 Q1463 F1468 R1469 | R1461-T1465 WeakPolarHBondContact O-CB 3.25Å; R1461-T1465 PolarHBondContact O-N 2.83Å; R1461-T1465 PolarHBondContact O-OG1 2.62Å; G1462-T1465 WeakPolarHBondContact O-CB 3.32Å; G1462-T1465 PolarHBondContact O-N 2.84Å; G1462-T1465 VanDerWaalsContact O-N 3.1Å; Q1463-T1465 VanDerWaalsContact C-N 3.33Å; Q1463-T1465 PolarHBondContact O-N 3.37Å; T1465-F1468 PolarHBondContact O-N 3.14Å; T1465-R1469 WeakPolarHBondContact O-CB 3.43Å; T1465-R1469 PolarHBondContact O-N 3.14Å |
| 1466 | E | 84.8 | Confident | 83.6 | Confident | 125 Ų | 125 | 105 Ų | 105 | 58% | 0.584 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.1 | -40 | 176.9 | -169.7 | 161.8 | -146.6 | 0 | 0 | 112.1 | G1462 Q1463 R1469 L1470 | G1462-E1466 PolarHBondContact O-N 3.33Å; Q1463-E1466 PolarHBondContact O-N 3.33Å; E1466-R1469 PolarHBondContact O-N 2.94Å; E1466-L1470 HydrophobicContact CG-CD1 4.38Å; E1466-L1470 WeakPolarHBondContact O-CB 3.44Å; E1466-L1470 WeakPolarHBondContact O-CG 3.24Å; E1466-L1470 PolarHBondContact O-N 2.95Å |
| 1467 | I | 83.2 | Confident | 83.7 | Confident | 100 Ų | 100 | 106.1 Ų | 106.1 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 170.6 | -70.2 | 165.1 | 0 | 0 | 0 | 111 | Q1463 S1464 L1470 K1471 | Q1463-I1467 WeakPolarHBondContact O-CG1 3.43Å; Q1463-I1467 PolarHBondContact O-N 3.01Å; S1464-I1467 PolarHBondContact O-N 3.25Å; I1467-L1470 PolarHBondContact O-N 2.65Å; I1467-K1471 WeakPolarHBondContact O-CG 3.34Å; I1467-K1471 PolarHBondContact O-N 2.98Å |
| 1468 | F | 83.3 | Confident | 83.8 | Confident | 147 Ų | 147 | 107.1 Ų | 107.1 | 65% | 0.645 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.3 | -42.2 | 176.3 | -113.3 | -75.1 | 0 | 0 | 0 | 112.2 | S1464 T1465 K1471 A1472 | S1464-F1468 PolarHBondContact O-N 3.36Å; T1465-F1468 PolarHBondContact O-N 3.14Å; F1468-K1471 PolarHBondContact O-N 3.1Å; F1468-A1472 WeakPolarHBondContact O-CB 3.43Å; F1468-A1472 PolarHBondContact O-N 3.45Å |
| 1469 | R | 87.3 | Confident | 83.7 | Confident | 170 Ų | 170 | 105.5 Ų | 105.5 | 64% | 0.642 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61 | -47.1 | 174 | 176.5 | -179.3 | 170.7 | 161.6 | 1.9 | 111.7 | T1465 E1466 K1471 A1472 Q1473 | T1465-R1469 WeakPolarHBondContact O-CB 3.43Å; T1465-R1469 PolarHBondContact O-N 3.14Å; E1466-R1469 PolarHBondContact O-N 2.94Å; R1469-K1471 VanDerWaalsContact C-N 3.33Å; R1469-K1471 PolarHBondContact O-N 3.28Å; R1469-A1472 PolarHBondContact O-N 2.95Å; R1469-Q1473 WeakPolarHBondContact O-CG 3.32Å; R1469-Q1473 PolarHBondContact O-N 2.92Å |
| 1470 | L | 83.2 | Confident | 83.6 | Confident | 104 Ų | 104 | 105.7 Ų | 105.7 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 178.9 | -72.9 | 169.4 | 0 | 0 | 0 | 112 | E1466 I1467 L1474 | E1466-L1470 HydrophobicContact CG-CD1 4.38Å; E1466-L1470 WeakPolarHBondContact O-CB 3.44Å; E1466-L1470 WeakPolarHBondContact O-CG 3.24Å; E1466-L1470 PolarHBondContact O-N 2.95Å; I1467-L1470 PolarHBondContact O-N 2.65Å; L1470-L1474 WeakPolarHBondContact O-CB 3.46Å; L1470-L1474 PolarHBondContact O-N 3.23Å |
| 1471 | K | 84.5 | Confident | 83.6 | Confident | 124 Ų | 124 | 107.4 Ų | 107.4 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.7 | -49.2 | 171 | -79 | -172.9 | 173.5 | -169.3 | 0 | 112.1 | I1467 F1468 R1469 Q1473 L1474 E1475 | I1467-K1471 WeakPolarHBondContact O-CG 3.34Å; I1467-K1471 PolarHBondContact O-N 2.98Å; F1468-K1471 PolarHBondContact O-N 3.1Å; R1469-K1471 VanDerWaalsContact C-N 3.33Å; R1469-K1471 PolarHBondContact O-N 3.28Å; K1471-Q1473 VanDerWaalsContact C-N 3.3Å; K1471-Q1473 PolarHBondContact O-N 3.43Å; K1471-L1474 CarbonylContact O-C 3.53Å; K1471-L1474 PolarHBondContact O-N 3.06Å; K1471-E1475 PolarHBondContact O-N 2.83Å |
| 1472 | A | 84 | Confident | 83.4 | Confident | 52 Ų | 52 | 103.3 Ų | 103.3 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | F1468 R1469 L1474 E1475 E1476 | F1468-A1472 WeakPolarHBondContact O-CB 3.43Å; F1468-A1472 PolarHBondContact O-N 3.45Å; R1469-A1472 PolarHBondContact O-N 2.95Å; A1472-L1474 VanDerWaalsContact C-N 3.34Å; A1472-L1474 PolarHBondContact O-N 3.33Å; A1472-E1475 PolarHBondContact O-N 3.09Å; A1472-E1476 VanDerWaalsContact O-CB 3.3Å; A1472-E1476 WeakPolarHBondContact O-CB 3.33Å; A1472-E1476 PolarHBondContact O-N 3.07Å |
| 1473 | Q | 85.9 | Confident | 83.3 | Confident | 86 Ų | 86 | 103.1 Ų | 103.1 | 40% | 0.402 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.3 | -32.6 | 174.3 | -68.8 | -175 | -75.3 | 0 | 0 | 112.8 | R1469 K1471 V1477 | R1469-Q1473 WeakPolarHBondContact O-CG 3.32Å; R1469-Q1473 PolarHBondContact O-N 2.92Å; K1471-Q1473 VanDerWaalsContact C-N 3.3Å; K1471-Q1473 PolarHBondContact O-N 3.43Å; Q1473-V1477 WeakPolarHBondContact O-CB 3.22Å; Q1473-V1477 VanDerWaalsContact O-CG2 3.3Å; Q1473-V1477 WeakPolarHBondContact O-CG2 3.41Å; Q1473-V1477 PolarHBondContact O-N 3.31Å |
| 1474 | L | 83.6 | Confident | 83.2 | Confident | 125 Ų | 125 | 101.5 Ų | 101.5 | 65% | 0.654 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -74.5 | -37.5 | 176.7 | -165.2 | 152.6 | 0 | 0 | 0 | 111.5 | L1470 K1471 A1472 H1478 | L1470-L1474 WeakPolarHBondContact O-CB 3.46Å; L1470-L1474 PolarHBondContact O-N 3.23Å; K1471-L1474 CarbonylContact O-C 3.53Å; K1471-L1474 PolarHBondContact O-N 3.06Å; A1472-L1474 VanDerWaalsContact C-N 3.34Å; A1472-L1474 PolarHBondContact O-N 3.33Å; L1474-H1478 WeakPolarHBondContact O-CB 3.41Å; L1474-H1478 PolarHBondContact O-N 3.36Å |
| 1475 | E | 82.5 | Confident | 83.2 | Confident | 128 Ų | 128 | 106.1 Ų | 106.1 | 60% | 0.598 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.8 | -40.4 | 171 | -73.6 | 172.8 | -178.1 | 0 | 0 | 111.7 | K1471 A1472 H1478 E1479 | K1471-E1475 PolarHBondContact O-N 2.83Å; A1472-E1475 PolarHBondContact O-N 3.09Å; E1475-H1478 CarbonylContact O-C 3.54Å; E1475-H1478 WeakPolarHBondContact O-CA 3.44Å; E1475-H1478 WeakPolarHBondContact O-CB 3.26Å; E1475-H1478 PolarHBondContact O-N 3.22Å; E1475-E1479 PolarHBondContact O-N 3.22Å |
| 1476 | E | 82.6 | Confident | 83.1 | Confident | 111 Ų | 111 | 108.5 Ų | 108.5 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 174.1 | -172.5 | -173.7 | 175 | 0 | 0 | 111.4 | A1472 H1478 E1479 Q1480 | A1472-E1476 VanDerWaalsContact O-CB 3.3Å; A1472-E1476 WeakPolarHBondContact O-CB 3.33Å; A1472-E1476 PolarHBondContact O-N 3.07Å; E1476-H1478 PolarHBondContact O-N 3.39Å; E1476-E1479 PolarHBondContact O-N 2.98Å; E1476-Q1480 WeakPolarHBondContact O-CB 3.38Å; E1476-Q1480 VanDerWaalsContact O-CG 3.27Å; E1476-Q1480 WeakPolarHBondContact O-CG 3.34Å; E1476-Q1480 PolarHBondContact O-N 3.39Å |
| 1477 | V | 83.3 | Confident | 82.9 | Confident | 82 Ų | 82 | 107.9 Ų | 107.9 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -28.8 | 172.8 | 170 | 0 | 0 | 0 | 0 | 111.6 | Q1473 M1481 | Q1473-V1477 WeakPolarHBondContact O-CB 3.22Å; Q1473-V1477 VanDerWaalsContact O-CG2 3.3Å; Q1473-V1477 WeakPolarHBondContact O-CG2 3.41Å; Q1473-V1477 PolarHBondContact O-N 3.31Å; V1477-M1481 WeakPolarHBondContact O-CB 3.42Å; V1477-M1481 VanDerWaalsContact O-CG 3.24Å; V1477-M1481 WeakPolarHBondContact O-CG 3.31Å; V1477-M1481 PolarHBondContact O-N 2.85Å |
| 1478 | H | 84 | Confident | 82.9 | Confident | 109 Ų | 109 | 108.2 Ų | 108.2 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.6 | -44.5 | 174.6 | -154.5 | 87.1 | 0 | 0 | 0 | 112.4 | L1474 E1475 E1476 Q1480 M1481 E1482 | L1474-H1478 WeakPolarHBondContact O-CB 3.41Å; L1474-H1478 PolarHBondContact O-N 3.36Å; E1475-H1478 CarbonylContact O-C 3.54Å; E1475-H1478 WeakPolarHBondContact O-CA 3.44Å; E1475-H1478 WeakPolarHBondContact O-CB 3.26Å; E1475-H1478 PolarHBondContact O-N 3.22Å; E1476-H1478 PolarHBondContact O-N 3.39Å; H1478-Q1480 VanDerWaalsContact C-N 3.3Å; H1478-Q1480 PolarHBondContact O-N 3.05Å; H1478-M1481 PolarHBondContact O-N 3.32Å; H1478-E1482 PolarHBondContact O-N 2.87Å |
| 1479 | E | 81.7 | Confident | 82.9 | Confident | 108 Ų | 108 | 107 Ų | 107 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 172.2 | -77.4 | -163.1 | 157.8 | 0 | 0 | 111 | E1475 E1476 E1482 G1483 R1911 | E1475-E1479 PolarHBondContact O-N 3.22Å; E1476-E1479 PolarHBondContact O-N 2.98Å; E1479-E1482 PolarHBondContact O-N 3.34Å; E1479-G1483 PolarHBondContact O-N 3.13Å; E1479-R1911 IonicContact OE1-CZ 3.81Å; E1479-R1911 IonicContact OE1-NH1 3.21Å; E1479-R1911 PolarHBondContact OE1-NH1 2.84Å; E1479-R1911 IonicContact OE1-NH2 3.8Å; E1479-R1911 PolarHBondContact OE1-NH2 3.38Å; E1479-R1911 IonicContact OE2-NH2 2.81Å |
| 1480 | Q | 83 | Confident | 82.7 | Confident | 106 Ų | 106 | 103.5 Ų | 103.5 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 173.5 | -71.1 | 172.6 | 18.1 | 0 | 0 | 112.3 | E1476 H1478 G1483 L1484 | E1476-Q1480 WeakPolarHBondContact O-CB 3.38Å; E1476-Q1480 VanDerWaalsContact O-CG 3.27Å; E1476-Q1480 WeakPolarHBondContact O-CG 3.34Å; E1476-Q1480 PolarHBondContact O-N 3.39Å; H1478-Q1480 VanDerWaalsContact C-N 3.3Å; H1478-Q1480 PolarHBondContact O-N 3.05Å; Q1480-G1483 PolarHBondContact O-N 3.13Å; Q1480-L1484 WeakPolarHBondContact O-CG 3.47Å; Q1480-L1484 PolarHBondContact O-N 3.39Å |
| 1481 | M | 79.3 | Confident | 82.6 | Confident | 92 Ų | 92 | 102.6 Ų | 102.6 | 45% | 0.453 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 175.7 | -81 | -74.8 | -68.9 | 0 | 0 | 113 | V1477 H1478 R1485 | V1477-M1481 WeakPolarHBondContact O-CB 3.42Å; V1477-M1481 VanDerWaalsContact O-CG 3.24Å; V1477-M1481 WeakPolarHBondContact O-CG 3.31Å; V1477-M1481 PolarHBondContact O-N 2.85Å; H1478-M1481 PolarHBondContact O-N 3.32Å; M1481-R1485 WeakPolarHBondContact O-CB 3.36Å; M1481-R1485 VanDerWaalsContact O-CG 3.26Å; M1481-R1485 WeakPolarHBondContact O-CG 3.46Å; M1481-R1485 PolarHBondContact O-N 2.88Å; M1481-R1485 VanDerWaalsContact O-N 3.17Å |
| 1482 | E | 79.9 | Confident | 82.6 | Confident | 75 Ų | 75 | 100.1 Ų | 100.1 | 35% | 0.35 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.8 | -41.9 | 171 | -75.4 | -132.2 | 150.4 | 0 | 0 | 111.9 | H1478 E1479 R1485 R1486 | H1478-E1482 PolarHBondContact O-N 2.87Å; E1479-E1482 PolarHBondContact O-N 3.34Å; E1482-R1485 WeakPolarHBondContact O-CB 3.36Å; E1482-R1485 PolarHBondContact O-N 3.48Å; E1482-R1485 VanDerWaalsContact O-N 3.16Å; E1482-R1486 VanDerWaalsContact O-CG 3.29Å; E1482-R1486 WeakPolarHBondContact O-CG 3.22Å; E1482-R1486 PolarHBondContact O-N 3.43Å; E1482-R1486 IonicContact OE2-CZ 3.58Å; E1482-R1486 IonicContact OE2-NE 3.46Å; E1482-R1486 IonicContact OE2-NH2 3.15Å; E1482-R1486 PolarHBondContact OE2-NH2 3.47Å |
| 1483 | G | 82 | Confident | 82.5 | Confident | 33 Ų | 33 | 100.6 Ų | 100.6 | 34% | 0.34 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.5 | -54.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E1479 Q1480 R1485 R1486 E1487 | E1479-G1483 PolarHBondContact O-N 3.13Å; Q1480-G1483 PolarHBondContact O-N 3.13Å; G1483-R1485 VanDerWaalsContact C-N 3.26Å; G1483-R1485 PolarHBondContact O-N 3.14Å; G1483-R1486 PolarHBondContact O-N 2.86Å; G1483-R1486 VanDerWaalsContact O-N 3.13Å; G1483-E1487 WeakPolarHBondContact O-CB 3.36Å; G1483-E1487 PolarHBondContact O-N 3.48Å |
| 1484 | L | 81.5 | Confident | 82.1 | Confident | 94 Ų | 94 | 101.9 Ų | 101.9 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.3 | -33.5 | 176.2 | -71.6 | 169 | 0 | 0 | 0 | 112.9 | Q1480 N1488 | Q1480-L1484 WeakPolarHBondContact O-CG 3.47Å; Q1480-L1484 PolarHBondContact O-N 3.39Å; L1484-N1488 WeakPolarHBondContact O-CB 3.47Å; L1484-N1488 PolarHBondContact O-N 2.9Å; L1484-N1488 PolarHBondContact O-ND2 3.37Å |
| 1485 | R | 83.3 | Confident | 81.9 | Confident | 162 Ų | 162 | 101.1 Ų | 101.1 | 61% | 0.611 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71 | -41.9 | 174.5 | -79.2 | 171.4 | 171.4 | -177.9 | -2 | 112.7 | M1481 E1482 G1483 K1489 | M1481-R1485 WeakPolarHBondContact O-CB 3.36Å; M1481-R1485 VanDerWaalsContact O-CG 3.26Å; M1481-R1485 WeakPolarHBondContact O-CG 3.46Å; M1481-R1485 PolarHBondContact O-N 2.88Å; M1481-R1485 VanDerWaalsContact O-N 3.17Å; E1482-R1485 WeakPolarHBondContact O-CB 3.36Å; E1482-R1485 PolarHBondContact O-N 3.48Å; E1482-R1485 VanDerWaalsContact O-N 3.16Å; G1483-R1485 VanDerWaalsContact C-N 3.26Å; G1483-R1485 PolarHBondContact O-N 3.14Å; R1485-K1489 WeakPolarHBondContact O-CB 3.11Å; R1485-K1489 PolarHBondContact O-N 3.29Å |
| 1486 | R | 81.4 | Confident | 81.8 | Confident | 145 Ų | 145 | 100.8 Ų | 100.8 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 176 | -66.7 | 171.2 | -163.1 | -167.7 | 7.3 | 110.3 | E1482 G1483 K1489 N1490 | E1482-R1486 VanDerWaalsContact O-CG 3.29Å; E1482-R1486 WeakPolarHBondContact O-CG 3.22Å; E1482-R1486 PolarHBondContact O-N 3.43Å; E1482-R1486 IonicContact OE2-CZ 3.58Å; E1482-R1486 IonicContact OE2-NE 3.46Å; E1482-R1486 IonicContact OE2-NH2 3.15Å; E1482-R1486 PolarHBondContact OE2-NH2 3.47Å; G1483-R1486 PolarHBondContact O-N 2.86Å; G1483-R1486 VanDerWaalsContact O-N 3.13Å; R1486-K1489 PolarHBondContact O-N 3.44Å; R1486-N1490 WeakPolarHBondContact O-CB 3.47Å; R1486-N1490 VanDerWaalsContact O-CG 3.29Å; R1486-N1490 PolarHBondContact O-N 3.12Å; R1486-N1490 PolarHBondContact O-OD1 3.15Å; R1486-N1490 VanDerWaalsContact O-OD1 3.13Å |
| 1487 | E | 82.4 | Confident | 81.5 | Confident | 112 Ų | 112 | 99.7 Ų | 99.7 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 175.8 | -171.4 | 173.7 | -141.1 | 0 | 0 | 111.9 | G1483 K1489 N1490 L1491 | G1483-E1487 WeakPolarHBondContact O-CB 3.36Å; G1483-E1487 PolarHBondContact O-N 3.48Å; E1487-K1489 VanDerWaalsContact C-N 3.31Å; E1487-K1489 PolarHBondContact O-N 3.31Å; E1487-N1490 PolarHBondContact O-N 2.82Å; E1487-L1491 HydrophobicContact CG-CD1 4.31Å; E1487-L1491 WeakPolarHBondContact O-CB 3.42Å; E1487-L1491 WeakPolarHBondContact O-CG 3.45Å; E1487-L1491 PolarHBondContact O-N 3.2Å |
| 1488 | N | 81.1 | Confident | 81.1 | Confident | 107 Ų | 107 | 100.6 Ų | 100.6 | 57% | 0.572 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.7 | -35 | 173.2 | -86.3 | -95.2 | 0 | 0 | 0 | 112.8 | L1484 S1492 | L1484-N1488 WeakPolarHBondContact O-CB 3.47Å; L1484-N1488 PolarHBondContact O-N 2.9Å; L1484-N1488 PolarHBondContact O-ND2 3.37Å; N1488-S1492 WeakPolarHBondContact O-CB 3.46Å; N1488-S1492 PolarHBondContact O-N 3.08Å |
| 1489 | K | 84 | Confident | 80.8 | Confident | 122 Ų | 122 | 99.4 Ų | 99.4 | 53% | 0.53 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.5 | -49.4 | 174.3 | -166.8 | -164.7 | 179.1 | -65.6 | 0 | 110.7 | R1485 R1486 E1487 L1491 S1492 D1493 | R1485-K1489 WeakPolarHBondContact O-CB 3.11Å; R1485-K1489 PolarHBondContact O-N 3.29Å; R1486-K1489 PolarHBondContact O-N 3.44Å; E1487-K1489 VanDerWaalsContact C-N 3.31Å; E1487-K1489 PolarHBondContact O-N 3.31Å; K1489-L1491 VanDerWaalsContact C-N 3.3Å; K1489-L1491 PolarHBondContact O-N 2.81Å; K1489-S1492 CarbonylContact O-C 3.53Å; K1489-S1492 WeakPolarHBondContact O-CA 3.33Å; K1489-S1492 WeakPolarHBondContact O-CB 3.37Å; K1489-S1492 PolarHBondContact O-N 2.69Å; K1489-D1493 IonicContact NZ-OD1 3.76Å; K1489-D1493 PolarHBondContact NZ-OD1 3.15Å; K1489-D1493 IonicContact NZ-OD2 3.54Å; K1489-D1493 PolarHBondContact NZ-OD2 3.27Å; K1489-D1493 VanDerWaalsContact O-CG 3.24Å; K1489-D1493 PolarHBondContact O-N 2.85Å |
| 1490 | N | 82.8 | Confident | 80.2 | Confident | 97 Ų | 97 | 100.4 Ų | 100.4 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 178.4 | -70.7 | 13.6 | 0 | 0 | 0 | 111.2 | R1486 E1487 S1492 D1493 E1494 | R1486-N1490 WeakPolarHBondContact O-CB 3.47Å; R1486-N1490 VanDerWaalsContact O-CG 3.29Å; R1486-N1490 PolarHBondContact O-N 3.12Å; R1486-N1490 PolarHBondContact O-OD1 3.15Å; R1486-N1490 VanDerWaalsContact O-OD1 3.13Å; E1487-N1490 PolarHBondContact O-N 2.82Å; N1490-S1492 VanDerWaalsContact C-N 3.31Å; N1490-S1492 PolarHBondContact O-N 3.06Å; N1490-D1493 PolarHBondContact O-N 3.43Å; N1490-E1494 WeakPolarHBondContact O-CB 3.12Å; N1490-E1494 WeakPolarHBondContact O-CG 3.35Å; N1490-E1494 PolarHBondContact O-N 3.03Å |
| 1491 | L | 81.8 | Confident | 79.3 | Confident | 84 Ų | 84 | 99.9 Ų | 99.9 | 44% | 0.44 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 174 | -71.5 | 168.1 | 0 | 0 | 0 | 112.6 | E1487 K1489 I1495 | E1487-L1491 HydrophobicContact CG-CD1 4.31Å; E1487-L1491 WeakPolarHBondContact O-CB 3.42Å; E1487-L1491 WeakPolarHBondContact O-CG 3.45Å; E1487-L1491 PolarHBondContact O-N 3.2Å; K1489-L1491 VanDerWaalsContact C-N 3.3Å; K1489-L1491 PolarHBondContact O-N 2.81Å; L1491-I1495 VanDerWaalsContact O-CB 3.3Å; L1491-I1495 WeakPolarHBondContact O-CB 3.47Å; L1491-I1495 WeakPolarHBondContact O-CD1 3.43Å; L1491-I1495 WeakPolarHBondContact O-CG1 3.36Å; L1491-I1495 PolarHBondContact O-N 3.32Å |
| 1492 | S | 83.6 | Confident | 78.6 | Confident | 73 Ų | 73 | 102.1 Ų | 102.1 | 51% | 0.51 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.5 | -33.9 | 174.8 | -171.9 | 0 | 0 | 0 | 0 | 113 | N1488 K1489 N1490 H1496 | N1488-S1492 WeakPolarHBondContact O-CB 3.46Å; N1488-S1492 PolarHBondContact O-N 3.08Å; K1489-S1492 CarbonylContact O-C 3.53Å; K1489-S1492 WeakPolarHBondContact O-CA 3.33Å; K1489-S1492 WeakPolarHBondContact O-CB 3.37Å; K1489-S1492 PolarHBondContact O-N 2.69Å; N1490-S1492 VanDerWaalsContact C-N 3.31Å; N1490-S1492 PolarHBondContact O-N 3.06Å; S1492-H1496 WeakPolarHBondContact O-CB 3.17Å; S1492-H1496 PolarHBondContact O-N 3.24Å |
| 1493 | D | 81.9 | Confident | 77.8 | Confident | 61 Ų | 61 | 101.7 Ų | 101.7 | 33% | 0.326 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.6 | -44.6 | 175.2 | -60.2 | -27.6 | 0 | 0 | 0 | 109.7 | K1489 N1490 I1495 H1496 D1497 | K1489-D1493 IonicContact NZ-OD1 3.76Å; K1489-D1493 PolarHBondContact NZ-OD1 3.15Å; K1489-D1493 IonicContact NZ-OD2 3.54Å; K1489-D1493 PolarHBondContact NZ-OD2 3.27Å; K1489-D1493 VanDerWaalsContact O-CG 3.24Å; K1489-D1493 PolarHBondContact O-N 2.85Å; N1490-D1493 PolarHBondContact O-N 3.43Å; D1493-I1495 PolarHBondContact O-N 3.33Å; D1493-H1496 CarbonylContact O-C 3.14Å; D1493-H1496 WeakPolarHBondContact O-CA 3.38Å; D1493-H1496 VanDerWaalsContact O-CB 3.31Å; D1493-H1496 WeakPolarHBondContact O-CB 3.13Å; D1493-H1496 PolarHBondContact O-N 2.86Å; D1493-D1497 PolarHBondContact O-N 2.73Å |
| 1494 | E | 78.7 | Confident | 76.6 | Confident | 114 Ų | 114 | 106.6 Ų | 106.6 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 171.6 | -78.7 | -175.8 | 163.3 | 0 | 0 | 112 | N1490 H1496 D1497 L1498 | N1490-E1494 WeakPolarHBondContact O-CB 3.12Å; N1490-E1494 WeakPolarHBondContact O-CG 3.35Å; N1490-E1494 PolarHBondContact O-N 3.03Å; E1494-H1496 PolarHBondContact O-N 3.41Å; E1494-D1497 PolarHBondContact O-N 3.11Å; E1494-L1498 VanDerWaalsContact O-CB 3.25Å; E1494-L1498 WeakPolarHBondContact O-CB 3.13Å; E1494-L1498 WeakPolarHBondContact O-CG 3.26Å; E1494-L1498 PolarHBondContact O-N 2.71Å |
| 1495 | I | 78.8 | Confident | 74.9 | Confident | 108 Ų | 108 | 105.5 Ų | 105.5 | 55% | 0.554 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.9 | -33.9 | 174.1 | -74.9 | 166.6 | 0 | 0 | 0 | 110.8 | L1491 D1493 T1499 | L1491-I1495 VanDerWaalsContact O-CB 3.3Å; L1491-I1495 WeakPolarHBondContact O-CB 3.47Å; L1491-I1495 WeakPolarHBondContact O-CD1 3.43Å; L1491-I1495 WeakPolarHBondContact O-CG1 3.36Å; L1491-I1495 PolarHBondContact O-N 3.32Å; D1493-I1495 PolarHBondContact O-N 3.33Å; I1495-T1499 VanDerWaalsContact O-CB 3.22Å; I1495-T1499 WeakPolarHBondContact O-CB 3.43Å; I1495-T1499 PolarHBondContact O-N 2.63Å; I1495-T1499 PolarHBondContact O-OG1 3.01Å |
| 1496 | H | 80.9 | Confident | 73.1 | Confident | 121 Ų | 121 | 100 Ų | 100 | 56% | 0.56 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.9 | -51 | 175.9 | -168.1 | 43.3 | 0 | 0 | 0 | 111.5 | S1492 D1493 E1494 L1498 T1499 E1500 | S1492-H1496 WeakPolarHBondContact O-CB 3.17Å; S1492-H1496 PolarHBondContact O-N 3.24Å; D1493-H1496 CarbonylContact O-C 3.14Å; D1493-H1496 WeakPolarHBondContact O-CA 3.38Å; D1493-H1496 VanDerWaalsContact O-CB 3.31Å; D1493-H1496 WeakPolarHBondContact O-CB 3.13Å; D1493-H1496 PolarHBondContact O-N 2.86Å; E1494-H1496 PolarHBondContact O-N 3.41Å; H1496-L1498 VanDerWaalsContact C-N 3.34Å; H1496-L1498 PolarHBondContact O-N 2.83Å; H1496-T1499 CarbonylContact O-C 3.57Å; H1496-T1499 WeakPolarHBondContact O-CA 3.43Å; H1496-T1499 WeakPolarHBondContact O-CB 3.44Å; H1496-T1499 PolarHBondContact O-N 3.28Å; H1496-E1500 PolarHBondContact O-N 3.34Å |
| 1497 | D | 76.6 | Confident | 71.6 | Confident | 88 Ų | 88 | 103.8 Ų | 103.8 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.5 | -41.1 | 177.8 | -75 | 9.1 | 0 | 0 | 0 | 111.8 | D1493 E1494 T1499 E1500 Q1501 | D1493-D1497 PolarHBondContact O-N 2.73Å; E1494-D1497 PolarHBondContact O-N 3.11Å; D1497-T1499 VanDerWaalsContact C-N 3.33Å; D1497-E1500 PolarHBondContact O-N 3.14Å; D1497-Q1501 WeakPolarHBondContact O-CB 3.37Å; D1497-Q1501 VanDerWaalsContact O-CG 3.27Å; D1497-Q1501 WeakPolarHBondContact O-CG 3.07Å; D1497-Q1501 PolarHBondContact O-N 3.19Å; D1497-Q1501 PolarHBondContact O-NE2 3.1Å |
| 1498 | L | 74.1 | Confident | 69.9 | Low | 102 Ų | 102 | 102.8 Ų | 102.8 | 53% | 0.534 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.9 | -34.4 | 173.5 | -71.7 | 170.3 | 0 | 0 | 0 | 111.9 | E1494 H1496 L1502 | E1494-L1498 VanDerWaalsContact O-CB 3.25Å; E1494-L1498 WeakPolarHBondContact O-CB 3.13Å; E1494-L1498 WeakPolarHBondContact O-CG 3.26Å; E1494-L1498 PolarHBondContact O-N 2.71Å; H1496-L1498 VanDerWaalsContact C-N 3.34Å; H1496-L1498 PolarHBondContact O-N 2.83Å; L1498-L1502 WeakPolarHBondContact O-CB 3.48Å; L1498-L1502 WeakPolarHBondContact O-CD1 3.39Å; L1498-L1502 WeakPolarHBondContact O-CG 3.2Å; L1498-L1502 PolarHBondContact O-N 3.38Å |
| 1499 | T | 77.3 | Confident | 68.7 | Low | 83 Ų | 83 | 103.1 Ų | 103.1 | 51% | 0.509 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.7 | -37.3 | 175 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | I1495 H1496 D1497 L1502 G1503 | I1495-T1499 VanDerWaalsContact O-CB 3.22Å; I1495-T1499 WeakPolarHBondContact O-CB 3.43Å; I1495-T1499 PolarHBondContact O-N 2.63Å; I1495-T1499 PolarHBondContact O-OG1 3.01Å; H1496-T1499 CarbonylContact O-C 3.57Å; H1496-T1499 WeakPolarHBondContact O-CA 3.43Å; H1496-T1499 WeakPolarHBondContact O-CB 3.44Å; H1496-T1499 PolarHBondContact O-N 3.28Å; D1497-T1499 VanDerWaalsContact C-N 3.33Å; T1499-L1502 PolarHBondContact O-N 3.31Å; T1499-G1503 PolarHBondContact O-N 3.49Å |
| 1500 | E | 70.7 | Confident | 67.3 | Low | 129 Ų | 129 | 104.9 Ų | 104.9 | 60% | 0.603 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.9 | -42 | 174.9 | -170.9 | 164.7 | -128.5 | 0 | 0 | 111.4 | H1496 D1497 L1502 G1503 E1504 | H1496-E1500 PolarHBondContact O-N 3.34Å; D1497-E1500 PolarHBondContact O-N 3.14Å; E1500-L1502 VanDerWaalsContact C-N 3.3Å; E1500-L1502 PolarHBondContact O-N 2.9Å; E1500-G1503 WeakPolarHBondContact O-CA 3.48Å; E1500-G1503 PolarHBondContact O-N 3.37Å; E1500-E1504 PolarHBondContact O-N 2.91Å |
| 1501 | Q | 63.7 | Low | 66 | Low | 95 Ų | 95 | 103.7 Ų | 103.7 | 44% | 0.444 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.3 | -31.5 | 172.5 | -73.6 | -179.2 | 74.1 | 0 | 0 | 113.2 | D1497 | D1497-Q1501 WeakPolarHBondContact O-CB 3.37Å; D1497-Q1501 VanDerWaalsContact O-CG 3.27Å; D1497-Q1501 WeakPolarHBondContact O-CG 3.07Å; D1497-Q1501 PolarHBondContact O-N 3.19Å; D1497-Q1501 PolarHBondContact O-NE2 3.1Å |
| 1502 | L | 63.9 | Low | 65.1 | Low | 140 Ų | 140 | 106 Ų | 106 | 73% | 0.733 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -75.1 | -26.6 | 169 | -76.1 | 166 | 0 | 0 | 0 | 112.6 | L1498 T1499 E1500 G1505 | L1498-L1502 WeakPolarHBondContact O-CB 3.48Å; L1498-L1502 WeakPolarHBondContact O-CD1 3.39Å; L1498-L1502 WeakPolarHBondContact O-CG 3.2Å; L1498-L1502 PolarHBondContact O-N 3.38Å; T1499-L1502 PolarHBondContact O-N 3.31Å; E1500-L1502 VanDerWaalsContact C-N 3.3Å; E1500-L1502 PolarHBondContact O-N 2.9Å; L1502-G1505 PolarHBondContact O-N 3.47Å |
| 1503 | G | 63.9 | Low | 64.2 | Low | 66 Ų | 66 | 105.2 Ų | 105.2 | 68% | 0.68 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.6 | -30.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1499 E1500 G1505 | T1499-G1503 PolarHBondContact O-N 3.49Å; E1500-G1503 WeakPolarHBondContact O-CA 3.48Å; E1500-G1503 PolarHBondContact O-N 3.37Å; G1503-G1505 PolarHBondContact O-N 2.68Å |
| 1504 | E | 56.1 | Low | 63.3 | Low | 136 Ų | 136 | 107.6 Ų | 107.6 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -3.5 | 174.5 | -75.3 | -152.1 | 132.1 | 0 | 0 | 114.2 | E1500 G1506 K1514 | E1500-E1504 PolarHBondContact O-N 2.91Å; E1504-G1506 PolarHBondContact O-N 2.73Å; E1504-K1514 IonicContact OE1-NZ 2.63Å; E1504-K1514 PolarHBondContact OE1-NZ 3.28Å; E1504-K1514 IonicContact OE2-NZ 2.73Å; E1504-K1514 PolarHBondContact OE2-NZ 3.27Å |
| 1505 | G | 44.9 | Very low | 62.8 | Low | 70 Ų | 70 | 106.4 Ų | 106.4 | 72% | 0.722 | 58% | 0.577 | S | S | * | * | trans | -70 | 74.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | L1502 G1503 | L1502-G1505 PolarHBondContact O-N 3.47Å; G1503-G1505 PolarHBondContact O-N 2.68Å | ||
| 1506 | G | 45.9 | Very low | 62.5 | Low | 48 Ų | 48 | 107.2 Ų | 107.2 | 50% | 0.495 | 57% | 0.574 | S | S | . | * | trans | 159.9 | 100.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118 | E1504 E1511 | E1504-G1506 PolarHBondContact O-N 2.73Å; G1506-E1511 WeakPolarHBondContact CA-OE1 3.3Å | ||
| 1507 | R | 50.3 | Low | 62.3 | Low | 223 Ų | 223 | 108.4 Ų | 108.4 | 84% | 0.842 | 57% | 0.573 | S | S | * | * | -178.9 | 107.7 | 122.8 | -94.4 | 157.6 | -156.8 | -156.9 | 7.7 | 113.4 | E1511 | R1507-E1511 VanDerWaalsContact C-CD 3.48Å; R1507-E1511 PolarHBondContact N-OE1 3.27Å | |||
| 1508 | S | 46.9 | Very low | 62.2 | Low | 91 Ų | 91 | 109.2 Ų | 109.2 | 64% | 0.636 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 54.2 | 110.5 | 130.8 | 173 | 0 | 0 | 0 | 0 | 117.8 | H1510 E1511 | S1508-H1510 PolarHBondContact O-N 3.06Å; S1508-E1511 PolarHBondContact N-OE2 2.99Å |
| 1509 | V | 56 | Low | 62.3 | Low | 115 Ų | 115 | 109.7 Ų | 109.7 | 70% | 0.697 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 69 | -48.5 | 167.2 | -176.8 | 0 | 0 | 0 | 0 | 114.9 | E1511 I1512 | V1509-E1511 PolarHBondContact O-N 3.04Å; V1509-I1512 PolarHBondContact O-N 3.05Å; V1509-I1512 VanDerWaalsContact O-N 3.15Å |
| 1510 | H | 54.2 | Low | 62.3 | Low | 158 Ų | 158 | 109.1 Ų | 109.1 | 73% | 0.731 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.2 | -28.1 | 174.2 | -104.9 | -25.3 | 0 | 0 | 0 | 112.2 | S1508 I1512 D1513 K1514 | S1508-H1510 PolarHBondContact O-N 3.06Å; H1510-I1512 VanDerWaalsContact C-N 3.28Å; H1510-I1512 PolarHBondContact O-N 3.27Å; H1510-D1513 PolarHBondContact O-N 2.99Å; H1510-K1514 WeakPolarHBondContact O-CB 3.5Å; H1510-K1514 PolarHBondContact O-N 3.22Å |
| 1511 | E | 56.3 | Low | 62.7 | Low | 73 Ų | 73 | 108 Ų | 108 | 34% | 0.341 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.8 | -32.7 | 173.7 | -69.9 | 161.8 | 159.2 | 0 | 0 | 113.2 | G1506 R1507 S1508 V1509 N1515 | G1506-E1511 WeakPolarHBondContact CA-OE1 3.3Å; R1507-E1511 VanDerWaalsContact C-CD 3.48Å; R1507-E1511 PolarHBondContact N-OE1 3.27Å; S1508-E1511 PolarHBondContact N-OE2 2.99Å; V1509-E1511 PolarHBondContact O-N 3.04Å; E1511-N1515 WeakPolarHBondContact O-CB 3.47Å; E1511-N1515 PolarHBondContact O-N 3.39Å; E1511-N1515 PolarHBondContact O-OD1 3.17Å |
| 1512 | I | 62.2 | Low | 63.5 | Low | 133 Ų | 133 | 106.5 Ų | 106.5 | 68% | 0.682 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.2 | -42 | 180 | -64.6 | 179.1 | 0 | 0 | 0 | 110.6 | V1509 H1510 R1516 | V1509-I1512 PolarHBondContact O-N 3.05Å; V1509-I1512 VanDerWaalsContact O-N 3.15Å; H1510-I1512 VanDerWaalsContact C-N 3.28Å; H1510-I1512 PolarHBondContact O-N 3.27Å; I1512-R1516 VanDerWaalsContact O-CB 3.31Å; I1512-R1516 WeakPolarHBondContact O-CB 3.22Å; I1512-R1516 PolarHBondContact O-N 3Å |
| 1513 | D | 64.1 | Low | 64.2 | Low | 56 Ų | 56 | 105.3 Ų | 105.3 | 30% | 0.299 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -77.4 | -29 | 178.4 | -145.9 | 47.8 | 0 | 0 | 0 | 111.7 | H1510 R1516 R1517 | H1510-D1513 PolarHBondContact O-N 2.99Å; D1513-R1516 IonicContact OD1-CZ 3.37Å; D1513-R1516 IonicContact OD1-NH1 3.08Å; D1513-R1516 PolarHBondContact OD1-NH1 2.92Å; D1513-R1517 WeakPolarHBondContact O-CB 3.22Å; D1513-R1517 VanDerWaalsContact O-CG 3.26Å; D1513-R1517 WeakPolarHBondContact O-CG 3.47Å; D1513-R1517 PolarHBondContact O-N 2.94Å; D1513-R1517 IonicContact OD2-CZ 2.8Å; D1513-R1517 IonicContact OD2-NE 3.6Å; D1513-R1517 PolarHBondContact OD2-NE 3.17Å; D1513-R1517 IonicContact OD2-NH2 2.73Å; D1513-R1517 PolarHBondContact OD2-NH2 3.01Å |
| 1514 | K | 64.1 | Low | 65 | Low | 110 Ų | 110 | 108.3 Ų | 108.3 | 48% | 0.478 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 169 | -163.1 | -175.1 | -176 | -171.9 | 0 | 110.9 | E1504 H1510 R1517 R1518 | E1504-K1514 IonicContact OE1-NZ 2.63Å; E1504-K1514 PolarHBondContact OE1-NZ 3.28Å; E1504-K1514 IonicContact OE2-NZ 2.73Å; E1504-K1514 PolarHBondContact OE2-NZ 3.27Å; H1510-K1514 WeakPolarHBondContact O-CB 3.5Å; H1510-K1514 PolarHBondContact O-N 3.22Å; K1514-R1517 PolarHBondContact O-N 3.31Å; K1514-R1518 WeakPolarHBondContact O-CB 3.47Å; K1514-R1518 PolarHBondContact O-N 2.69Å |
| 1515 | N | 68.8 | Low | 66.1 | Low | 89 Ų | 89 | 108.2 Ų | 108.2 | 48% | 0.476 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.7 | -34.1 | 176.9 | -71.3 | -3.7 | 0 | 0 | 0 | 112.5 | E1511 R1518 L1519 | E1511-N1515 WeakPolarHBondContact O-CB 3.47Å; E1511-N1515 PolarHBondContact O-N 3.39Å; E1511-N1515 PolarHBondContact O-OD1 3.17Å; N1515-R1518 PolarHBondContact O-N 2.92Å; N1515-L1519 WeakPolarHBondContact O-CB 3.31Å; N1515-L1519 WeakPolarHBondContact O-CG 3.5Å; N1515-L1519 PolarHBondContact O-N 2.99Å |
| 1516 | R | 72.6 | Confident | 67.9 | Low | 126 Ų | 126 | 111 Ų | 111 | 48% | 0.475 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | 173.2 | -155.4 | -164.4 | 95.8 | -133.5 | 3.9 | 110.3 | I1512 D1513 L1519 E1520 | I1512-R1516 VanDerWaalsContact O-CB 3.31Å; I1512-R1516 WeakPolarHBondContact O-CB 3.22Å; I1512-R1516 PolarHBondContact O-N 3Å; D1513-R1516 IonicContact OD1-CZ 3.37Å; D1513-R1516 IonicContact OD1-NH1 3.08Å; D1513-R1516 PolarHBondContact OD1-NH1 2.92Å; R1516-L1519 PolarHBondContact O-N 3.03Å; R1516-E1520 IonicContact CZ-OE1 3.29Å; R1516-E1520 IonicContact CZ-OE2 2.74Å; R1516-E1520 IonicContact NE-OE1 3.01Å; R1516-E1520 PolarHBondContact NE-OE1 3.14Å; R1516-E1520 IonicContact NE-OE2 3.71Å; R1516-E1520 PolarHBondContact NE-OE2 3.13Å; R1516-E1520 IonicContact NH2-OE1 2.75Å; R1516-E1520 PolarHBondContact NH2-OE1 3.09Å; R1516-E1520 IonicContact NH2-OE2 2.74Å; R1516-E1520 PolarHBondContact NH2-OE2 2.6Å; R1516-E1520 VanDerWaalsContact NH2-OE2 3.15Å; R1516-E1520 WeakPolarHBondContact O-CB 3.48Å; R1516-E1520 WeakPolarHBondContact O-CG 3.49Å; R1516-E1520 PolarHBondContact O-N 3.12Å |
| 1517 | R | 74.8 | Confident | 69.7 | Low | 145 Ų | 145 | 112.6 Ų | 112.6 | 55% | 0.547 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -36.7 | 173.7 | -69.7 | 175.9 | -156.3 | -161.9 | 5.8 | 112.7 | D1513 K1514 E1520 M1521 | D1513-R1517 WeakPolarHBondContact O-CB 3.22Å; D1513-R1517 VanDerWaalsContact O-CG 3.26Å; D1513-R1517 WeakPolarHBondContact O-CG 3.47Å; D1513-R1517 PolarHBondContact O-N 2.94Å; D1513-R1517 IonicContact OD2-CZ 2.8Å; D1513-R1517 IonicContact OD2-NE 3.6Å; D1513-R1517 PolarHBondContact OD2-NE 3.17Å; D1513-R1517 IonicContact OD2-NH2 2.73Å; D1513-R1517 PolarHBondContact OD2-NH2 3.01Å; K1514-R1517 PolarHBondContact O-N 3.31Å; R1517-E1520 PolarHBondContact O-N 2.93Å; R1517-M1521 WeakPolarHBondContact O-CB 3.46Å; R1517-M1521 VanDerWaalsContact O-CG 3.29Å; R1517-M1521 WeakPolarHBondContact O-CG 3.2Å; R1517-M1521 PolarHBondContact O-N 2.82Å |
| 1518 | R | 75 | Confident | 71.3 | Confident | 105 Ų | 105 | 104.6 Ų | 104.6 | 40% | 0.396 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 174.1 | -175.9 | 175.1 | 166.8 | 169.4 | -0.6 | 111.6 | K1514 N1515 M1521 E1522 | K1514-R1518 WeakPolarHBondContact O-CB 3.47Å; K1514-R1518 PolarHBondContact O-N 2.69Å; N1515-R1518 PolarHBondContact O-N 2.92Å; R1518-M1521 PolarHBondContact O-N 2.6Å; R1518-E1522 HydrophobicContact CG-CG 4.36Å; R1518-E1522 IonicContact CZ-OE1 3.86Å; R1518-E1522 VanDerWaalsContact CZ-OE1 3.31Å; R1518-E1522 IonicContact NE-OE1 3.91Å; R1518-E1522 PolarHBondContact NE-OE1 3.33Å; R1518-E1522 IonicContact NH2-OE1 3.99Å; R1518-E1522 PolarHBondContact NH2-OE1 2.86Å; R1518-E1522 WeakPolarHBondContact O-CB 3.32Å; R1518-E1522 VanDerWaalsContact O-CG 3.31Å; R1518-E1522 WeakPolarHBondContact O-CG 3.45Å; R1518-E1522 PolarHBondContact O-N 3.1Å |
| 1519 | L | 77.5 | Confident | 73.1 | Confident | 113 Ų | 113 | 102.9 Ų | 102.9 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.9 | -28.1 | 174.4 | -71.6 | 168.4 | 0 | 0 | 0 | 113 | N1515 R1516 K1523 | N1515-L1519 WeakPolarHBondContact O-CB 3.31Å; N1515-L1519 WeakPolarHBondContact O-CG 3.5Å; N1515-L1519 PolarHBondContact O-N 2.99Å; R1516-L1519 PolarHBondContact O-N 3.03Å; L1519-K1523 WeakPolarHBondContact O-CB 3.36Å; L1519-K1523 PolarHBondContact O-N 2.85Å |
| 1520 | E | 76.8 | Confident | 74.4 | Confident | 71 Ų | 71 | 101.9 Ų | 101.9 | 33% | 0.332 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.4 | -45.2 | 169.5 | -75.4 | 164.6 | 162.2 | 0 | 0 | 110.2 | R1516 R1517 K1523 E1524 | R1516-E1520 IonicContact CZ-OE1 3.29Å; R1516-E1520 IonicContact CZ-OE2 2.74Å; R1516-E1520 IonicContact NE-OE1 3.01Å; R1516-E1520 PolarHBondContact NE-OE1 3.14Å; R1516-E1520 IonicContact NE-OE2 3.71Å; R1516-E1520 PolarHBondContact NE-OE2 3.13Å; R1516-E1520 IonicContact NH2-OE1 2.75Å; R1516-E1520 PolarHBondContact NH2-OE1 3.09Å; R1516-E1520 IonicContact NH2-OE2 2.74Å; R1516-E1520 PolarHBondContact NH2-OE2 2.6Å; R1516-E1520 VanDerWaalsContact NH2-OE2 3.15Å; R1516-E1520 WeakPolarHBondContact O-CB 3.48Å; R1516-E1520 WeakPolarHBondContact O-CG 3.49Å; R1516-E1520 PolarHBondContact O-N 3.12Å; R1517-E1520 PolarHBondContact O-N 2.93Å; E1520-K1523 PolarHBondContact O-N 3.14Å; E1520-E1524 WeakPolarHBondContact O-CB 3.41Å; E1520-E1524 WeakPolarHBondContact O-CG 3.32Å; E1520-E1524 PolarHBondContact O-N 2.79Å |
| 1521 | M | 79.4 | Confident | 75.8 | Confident | 105 Ų | 105 | 99.4 Ų | 99.4 | 52% | 0.517 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -49.2 | 173.7 | -69.7 | -178.3 | -52.4 | 0 | 0 | 112.5 | R1517 R1518 K1523 E1524 E1525 | R1517-M1521 WeakPolarHBondContact O-CB 3.46Å; R1517-M1521 VanDerWaalsContact O-CG 3.29Å; R1517-M1521 WeakPolarHBondContact O-CG 3.2Å; R1517-M1521 PolarHBondContact O-N 2.82Å; R1518-M1521 PolarHBondContact O-N 2.6Å; M1521-K1523 PolarHBondContact O-N 2.84Å; M1521-E1524 CarbonylContact O-C 3.44Å; M1521-E1524 WeakPolarHBondContact O-CA 3.31Å; M1521-E1524 PolarHBondContact O-N 2.85Å; M1521-E1525 WeakPolarHBondContact O-CB 3.45Å; M1521-E1525 WeakPolarHBondContact O-CG 3.49Å; M1521-E1525 PolarHBondContact O-N 2.94Å |
| 1522 | E | 79 | Confident | 77 | Confident | 63 Ų | 63 | 103 Ų | 103 | 29% | 0.294 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -32.3 | 176.8 | -74 | 171.6 | 178.7 | 0 | 0 | 111.3 | R1518 L1526 | R1518-E1522 HydrophobicContact CG-CG 4.36Å; R1518-E1522 IonicContact CZ-OE1 3.86Å; R1518-E1522 VanDerWaalsContact CZ-OE1 3.31Å; R1518-E1522 IonicContact NE-OE1 3.91Å; R1518-E1522 PolarHBondContact NE-OE1 3.33Å; R1518-E1522 IonicContact NH2-OE1 3.99Å; R1518-E1522 PolarHBondContact NH2-OE1 2.86Å; R1518-E1522 WeakPolarHBondContact O-CB 3.32Å; R1518-E1522 VanDerWaalsContact O-CG 3.31Å; R1518-E1522 WeakPolarHBondContact O-CG 3.45Å; R1518-E1522 PolarHBondContact O-N 3.1Å; E1522-L1526 VanDerWaalsContact O-CB 3.27Å; E1522-L1526 WeakPolarHBondContact O-CB 3.43Å; E1522-L1526 VanDerWaalsContact O-CG 3.22Å; E1522-L1526 WeakPolarHBondContact O-CG 3.5Å; E1522-L1526 PolarHBondContact O-N 2.83Å |
| 1523 | K | 80.3 | Confident | 78.1 | Confident | 116 Ų | 116 | 99.4 Ų | 99.4 | 50% | 0.504 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.4 | -43.2 | 169.9 | -179.4 | -165.6 | 162.3 | -70.5 | 0 | 111.7 | L1519 E1520 M1521 E1525 L1526 Q1527 | L1519-K1523 WeakPolarHBondContact O-CB 3.36Å; L1519-K1523 PolarHBondContact O-N 2.85Å; E1520-K1523 PolarHBondContact O-N 3.14Å; M1521-K1523 PolarHBondContact O-N 2.84Å; K1523-E1525 VanDerWaalsContact C-N 3.34Å; K1523-L1526 PolarHBondContact O-N 3.26Å; K1523-Q1527 WeakPolarHBondContact O-CB 3.44Å; K1523-Q1527 PolarHBondContact O-N 2.79Å |
| 1524 | E | 80.6 | Confident | 79 | Confident | 128 Ų | 128 | 102 Ų | 102 | 60% | 0.598 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.4 | -37.2 | 177.6 | -77.3 | 173.8 | 178.8 | 0 | 0 | 111.5 | E1520 M1521 A1528 | E1520-E1524 WeakPolarHBondContact O-CB 3.41Å; E1520-E1524 WeakPolarHBondContact O-CG 3.32Å; E1520-E1524 PolarHBondContact O-N 2.79Å; M1521-E1524 CarbonylContact O-C 3.44Å; M1521-E1524 WeakPolarHBondContact O-CA 3.31Å; M1521-E1524 PolarHBondContact O-N 2.85Å; E1524-A1528 WeakPolarHBondContact O-CB 3.21Å; E1524-A1528 PolarHBondContact O-N 3.04Å |
| 1525 | E | 79.3 | Confident | 80 | Confident | 135 Ų | 135 | 99.2 Ų | 99.2 | 63% | 0.631 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.8 | -47.6 | 172.1 | -72.3 | 176.1 | 167.2 | 0 | 0 | 112 | M1521 K1523 Q1527 A1528 A1529 | M1521-E1525 WeakPolarHBondContact O-CB 3.45Å; M1521-E1525 WeakPolarHBondContact O-CG 3.49Å; M1521-E1525 PolarHBondContact O-N 2.94Å; K1523-E1525 VanDerWaalsContact C-N 3.34Å; E1525-Q1527 VanDerWaalsContact C-N 3.32Å; E1525-Q1527 PolarHBondContact O-N 3.16Å; E1525-A1528 PolarHBondContact O-N 3.47Å; E1525-A1529 VanDerWaalsContact O-CB 3.27Å; E1525-A1529 WeakPolarHBondContact O-CB 3.25Å; E1525-A1529 PolarHBondContact O-N 3.04Å |
| 1526 | L | 81.6 | Confident | 80.8 | Confident | 128 Ų | 128 | 97.2 Ų | 97.2 | 67% | 0.67 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.2 | -33.5 | 175.7 | -75.7 | 171.2 | 0 | 0 | 0 | 112.8 | E1522 K1523 L1530 | E1522-L1526 VanDerWaalsContact O-CB 3.27Å; E1522-L1526 WeakPolarHBondContact O-CB 3.43Å; E1522-L1526 VanDerWaalsContact O-CG 3.22Å; E1522-L1526 WeakPolarHBondContact O-CG 3.5Å; E1522-L1526 PolarHBondContact O-N 2.83Å; K1523-L1526 PolarHBondContact O-N 3.26Å; L1526-L1530 WeakPolarHBondContact O-CB 3.36Å; L1526-L1530 PolarHBondContact O-N 2.72Å |
| 1527 | Q | 84.8 | Confident | 81.4 | Confident | 82 Ų | 82 | 96.2 Ų | 96.2 | 38% | 0.383 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.8 | -41.4 | 175.9 | -169.6 | -178.2 | -39.2 | 0 | 0 | 110.7 | K1523 E1525 L1530 E1531 | K1523-Q1527 WeakPolarHBondContact O-CB 3.44Å; K1523-Q1527 PolarHBondContact O-N 2.79Å; E1525-Q1527 VanDerWaalsContact C-N 3.32Å; E1525-Q1527 PolarHBondContact O-N 3.16Å; Q1527-L1530 PolarHBondContact O-N 2.92Å; Q1527-E1531 WeakPolarHBondContact CG-OE1 3.44Å; Q1527-E1531 PolarHBondContact NE2-OE1 2.78Å; Q1527-E1531 WeakPolarHBondContact O-CB 3.31Å; Q1527-E1531 WeakPolarHBondContact O-CG 3.35Å; Q1527-E1531 PolarHBondContact O-N 3.35Å |
| 1528 | A | 83.8 | Confident | 81.9 | Confident | 55 Ų | 55 | 96.3 Ų | 96.3 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1524 E1525 E1531 E1532 | E1524-A1528 WeakPolarHBondContact O-CB 3.21Å; E1524-A1528 PolarHBondContact O-N 3.04Å; E1525-A1528 PolarHBondContact O-N 3.47Å; A1528-E1531 PolarHBondContact O-N 3.24Å; A1528-E1532 VanDerWaalsContact O-CB 3.3Å; A1528-E1532 WeakPolarHBondContact O-CB 3.14Å; A1528-E1532 PolarHBondContact O-N 2.97Å |
| 1529 | A | 84.6 | Confident | 82.3 | Confident | 54 Ų | 54 | 96.2 Ų | 96.2 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.1 | -32.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1525 A1533 | E1525-A1529 VanDerWaalsContact O-CB 3.27Å; E1525-A1529 WeakPolarHBondContact O-CB 3.25Å; E1525-A1529 PolarHBondContact O-N 3.04Å; A1529-A1533 VanDerWaalsContact O-CB 3.22Å; A1529-A1533 WeakPolarHBondContact O-CB 3.5Å; A1529-A1533 PolarHBondContact O-N 2.91Å |
| 1530 | L | 82.8 | Confident | 82.6 | Confident | 94 Ų | 94 | 95.6 Ų | 95.6 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.3 | -45.7 | 171.5 | -178.9 | 63.3 | 0 | 0 | 0 | 111.2 | L1526 Q1527 E1532 A1533 E1534 | L1526-L1530 WeakPolarHBondContact O-CB 3.36Å; L1526-L1530 PolarHBondContact O-N 2.72Å; Q1527-L1530 PolarHBondContact O-N 2.92Å; L1530-E1532 VanDerWaalsContact C-N 3.31Å; L1530-E1532 PolarHBondContact O-N 3.29Å; L1530-A1533 PolarHBondContact O-N 2.9Å; L1530-E1534 HydrophobicContact CD1-CG 4.09Å; L1530-E1534 HydrophobicContact CG-CG 4.37Å; L1530-E1534 WeakPolarHBondContact O-CB 3.39Å; L1530-E1534 WeakPolarHBondContact O-CG 3.33Å; L1530-E1534 PolarHBondContact O-N 2.93Å |
| 1531 | E | 82.7 | Confident | 83 | Confident | 106 Ų | 106 | 97.3 Ų | 97.3 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -35 | 176.8 | -72.6 | 172.6 | -162.2 | 0 | 0 | 111.5 | Q1527 A1528 S1535 | Q1527-E1531 WeakPolarHBondContact CG-OE1 3.44Å; Q1527-E1531 PolarHBondContact NE2-OE1 2.78Å; Q1527-E1531 WeakPolarHBondContact O-CB 3.31Å; Q1527-E1531 WeakPolarHBondContact O-CG 3.35Å; Q1527-E1531 PolarHBondContact O-N 3.35Å; A1528-E1531 PolarHBondContact O-N 3.24Å; E1531-S1535 WeakPolarHBondContact O-CB 3.32Å; E1531-S1535 PolarHBondContact O-N 3.1Å |
| 1532 | E | 83.1 | Confident | 83.4 | Confident | 148 Ų | 148 | 94.1 Ų | 94.1 | 69% | 0.692 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.8 | -40.8 | 171 | -173.9 | 172.6 | -157.9 | 0 | 0 | 111.8 | A1528 L1530 A1536 | A1528-E1532 VanDerWaalsContact O-CB 3.3Å; A1528-E1532 WeakPolarHBondContact O-CB 3.14Å; A1528-E1532 PolarHBondContact O-N 2.97Å; L1530-E1532 VanDerWaalsContact C-N 3.31Å; L1530-E1532 PolarHBondContact O-N 3.29Å; E1532-A1536 VanDerWaalsContact O-CB 3.24Å; E1532-A1536 WeakPolarHBondContact O-CB 3.3Å; E1532-A1536 PolarHBondContact O-N 3.29Å |
| 1533 | A | 83.9 | Confident | 83.7 | Confident | 58 Ų | 58 | 95.4 Ų | 95.4 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.3 | -38.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1529 L1530 A1536 L1537 | A1529-A1533 VanDerWaalsContact O-CB 3.22Å; A1529-A1533 WeakPolarHBondContact O-CB 3.5Å; A1529-A1533 PolarHBondContact O-N 2.91Å; L1530-A1533 PolarHBondContact O-N 2.9Å; A1533-A1536 PolarHBondContact O-N 2.96Å; A1533-L1537 WeakPolarHBondContact O-CB 3.37Å; A1533-L1537 PolarHBondContact O-N 2.71Å |
| 1534 | E | 84.3 | Confident | 84 | Confident | 111 Ų | 111 | 93.5 Ų | 93.5 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.4 | -42.6 | 173.8 | -72.2 | -176.8 | 163.9 | 0 | 0 | 110.3 | L1530 A1536 L1537 E1538 | L1530-E1534 HydrophobicContact CD1-CG 4.09Å; L1530-E1534 HydrophobicContact CG-CG 4.37Å; L1530-E1534 WeakPolarHBondContact O-CB 3.39Å; L1530-E1534 WeakPolarHBondContact O-CG 3.33Å; L1530-E1534 PolarHBondContact O-N 2.93Å; E1534-A1536 VanDerWaalsContact C-N 3.35Å; E1534-A1536 PolarHBondContact O-N 2.81Å; E1534-L1537 PolarHBondContact O-N 2.87Å; E1534-E1538 WeakPolarHBondContact O-CG 3.44Å; E1534-E1538 PolarHBondContact O-N 2.93Å |
| 1535 | S | 85 | Confident | 84.2 | Confident | 52 Ų | 52 | 93 Ų | 93 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 170.9 | 177 | 0 | 0 | 0 | 0 | 112.7 | E1531 Q1539 | E1531-S1535 WeakPolarHBondContact O-CB 3.32Å; E1531-S1535 PolarHBondContact O-N 3.1Å; S1535-Q1539 VanDerWaalsContact O-CB 3.3Å; S1535-Q1539 WeakPolarHBondContact O-CB 3.34Å; S1535-Q1539 WeakPolarHBondContact O-CG 3.49Å; S1535-Q1539 PolarHBondContact O-N 3.2Å; S1535-Q1539 PolarHBondContact O-NE2 3.29Å; S1535-Q1539 PolarHBondContact OG-NE2 3.07Å |
| 1536 | A | 84.4 | Confident | 84.5 | Confident | 47 Ų | 47 | 93.1 Ų | 93.1 | 39% | 0.388 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1532 A1533 E1534 Q1539 E1540 | E1532-A1536 VanDerWaalsContact O-CB 3.24Å; E1532-A1536 WeakPolarHBondContact O-CB 3.3Å; E1532-A1536 PolarHBondContact O-N 3.29Å; A1533-A1536 PolarHBondContact O-N 2.96Å; E1534-A1536 VanDerWaalsContact C-N 3.35Å; E1534-A1536 PolarHBondContact O-N 2.81Å; A1536-Q1539 PolarHBondContact O-N 3.44Å; A1536-E1540 PolarHBondContact O-N 3.26Å |
| 1537 | L | 85.7 | Confident | 84.6 | Confident | 104 Ų | 104 | 89.5 Ų | 89.5 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.4 | -47 | 175.5 | -179.7 | 60.8 | 0 | 0 | 0 | 111.6 | A1533 E1534 Q1539 E1540 E1541 | A1533-L1537 WeakPolarHBondContact O-CB 3.37Å; A1533-L1537 PolarHBondContact O-N 2.71Å; E1534-L1537 PolarHBondContact O-N 2.87Å; L1537-Q1539 VanDerWaalsContact C-N 3.28Å; L1537-Q1539 PolarHBondContact O-N 2.98Å; L1537-E1540 PolarHBondContact O-N 3.11Å; L1537-E1541 HydrophobicContact CD1-CG 4.27Å; L1537-E1541 PolarHBondContact O-N 3.43Å |
| 1538 | E | 85.1 | Confident | 84.6 | Confident | 147 Ų | 147 | 91.3 Ų | 91.3 | 69% | 0.687 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.8 | -39.2 | 174.1 | -75 | -164.4 | 154.8 | 0 | 0 | 111.4 | E1534 A1542 | E1534-E1538 WeakPolarHBondContact O-CG 3.44Å; E1534-E1538 PolarHBondContact O-N 2.93Å; E1538-A1542 WeakPolarHBondContact O-CB 3.2Å; E1538-A1542 PolarHBondContact O-N 2.98Å |
| 1539 | Q | 83.4 | Confident | 84.6 | Confident | 104 Ų | 104 | 93.7 Ų | 93.7 | 49% | 0.486 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 174.7 | -78 | 177.6 | 59.2 | 0 | 0 | 112.8 | S1535 A1536 L1537 K1543 | S1535-Q1539 VanDerWaalsContact O-CB 3.3Å; S1535-Q1539 WeakPolarHBondContact O-CB 3.34Å; S1535-Q1539 WeakPolarHBondContact O-CG 3.49Å; S1535-Q1539 PolarHBondContact O-N 3.2Å; S1535-Q1539 PolarHBondContact O-NE2 3.29Å; S1535-Q1539 PolarHBondContact OG-NE2 3.07Å; A1536-Q1539 PolarHBondContact O-N 3.44Å; L1537-Q1539 VanDerWaalsContact C-N 3.28Å; L1537-Q1539 PolarHBondContact O-N 2.98Å; Q1539-K1543 WeakPolarHBondContact O-CD 3.42Å; Q1539-K1543 WeakPolarHBondContact O-CG 3.46Å; Q1539-K1543 PolarHBondContact O-N 2.93Å |
| 1540 | E | 82.9 | Confident | 84.6 | Confident | 99 Ų | 99 | 96 Ų | 96 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.7 | -40.7 | 175.1 | -72.1 | -53.7 | 137.7 | 0 | 0 | 112.4 | A1536 L1537 A1542 K1543 V1544 | A1536-E1540 PolarHBondContact O-N 3.26Å; L1537-E1540 PolarHBondContact O-N 3.11Å; E1540-A1542 VanDerWaalsContact C-N 3.32Å; E1540-A1542 PolarHBondContact O-N 3.07Å; E1540-K1543 PolarHBondContact O-N 3.26Å; E1540-K1543 VanDerWaalsContact O-N 3.16Å; E1540-K1543 WeakPolarHBondContact OE1-CD 3.39Å; E1540-K1543 IonicContact OE1-NZ 3.73Å; E1540-K1543 PolarHBondContact OE1-NZ 2.95Å; E1540-V1544 WeakPolarHBondContact O-CB 3.45Å; E1540-V1544 WeakPolarHBondContact O-CG2 3Å; E1540-V1544 PolarHBondContact O-N 2.6Å |
| 1541 | E | 87 | Confident | 84.5 | Confident | 108 Ų | 108 | 96.2 Ų | 96.2 | 51% | 0.505 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 172 | -71.2 | -154.5 | 166 | 0 | 0 | 111.2 | L1537 K1543 V1544 Q1545 | L1537-E1541 HydrophobicContact CD1-CG 4.27Å; L1537-E1541 PolarHBondContact O-N 3.43Å; E1541-K1543 VanDerWaalsContact C-N 3.33Å; E1541-K1543 PolarHBondContact O-N 3.21Å; E1541-V1544 PolarHBondContact O-N 2.97Å; E1541-Q1545 WeakPolarHBondContact O-CB 3.36Å; E1541-Q1545 VanDerWaalsContact O-CG 3.27Å; E1541-Q1545 WeakPolarHBondContact O-CG 3.42Å; E1541-Q1545 PolarHBondContact O-N 3.48Å |
| 1542 | A | 86.2 | Confident | 84.6 | Confident | 38 Ų | 38 | 93.9 Ų | 93.9 | 31% | 0.314 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.6 | -27.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1538 E1540 R1546 | E1538-A1542 WeakPolarHBondContact O-CB 3.2Å; E1538-A1542 PolarHBondContact O-N 2.98Å; E1540-A1542 VanDerWaalsContact C-N 3.32Å; E1540-A1542 PolarHBondContact O-N 3.07Å; A1542-R1546 WeakPolarHBondContact O-CB 3.4Å; A1542-R1546 WeakPolarHBondContact O-CG 3.25Å; A1542-R1546 PolarHBondContact O-N 3.43Å; A1542-R1546 PolarHBondContact O-NE 3.22Å |
| 1543 | K | 86.8 | Confident | 84.7 | Confident | 90 Ų | 90 | 92.8 Ų | 92.8 | 39% | 0.391 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.6 | -44.8 | 169.4 | -73.5 | 163.6 | -159.1 | 171.9 | 0 | 110.7 | Q1539 E1540 E1541 R1546 A1547 | Q1539-K1543 WeakPolarHBondContact O-CD 3.42Å; Q1539-K1543 WeakPolarHBondContact O-CG 3.46Å; Q1539-K1543 PolarHBondContact O-N 2.93Å; E1540-K1543 PolarHBondContact O-N 3.26Å; E1540-K1543 VanDerWaalsContact O-N 3.16Å; E1540-K1543 WeakPolarHBondContact OE1-CD 3.39Å; E1540-K1543 IonicContact OE1-NZ 3.73Å; E1540-K1543 PolarHBondContact OE1-NZ 2.95Å; E1541-K1543 VanDerWaalsContact C-N 3.33Å; E1541-K1543 PolarHBondContact O-N 3.21Å; K1543-R1546 PolarHBondContact O-N 3.03Å; K1543-A1547 WeakPolarHBondContact O-CB 3.21Å; K1543-A1547 PolarHBondContact O-N 3.01Å |
| 1544 | V | 86 | Confident | 84.7 | Confident | 76 Ų | 76 | 94.5 Ų | 94.5 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 178 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | E1540 E1541 A1547 Q1548 | E1540-V1544 WeakPolarHBondContact O-CB 3.45Å; E1540-V1544 WeakPolarHBondContact O-CG2 3Å; E1540-V1544 PolarHBondContact O-N 2.6Å; E1541-V1544 PolarHBondContact O-N 2.97Å; V1544-A1547 PolarHBondContact O-N 3.21Å; V1544-Q1548 VanDerWaalsContact CG1-NE2 3.28Å; V1544-Q1548 WeakPolarHBondContact O-CB 3.43Å; V1544-Q1548 VanDerWaalsContact O-CG 3.27Å; V1544-Q1548 WeakPolarHBondContact O-CG 3.46Å; V1544-Q1548 PolarHBondContact O-N 3.2Å |
| 1545 | Q | 85 | Confident | 84.7 | Confident | 116 Ų | 116 | 96.1 Ų | 96.1 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 174.7 | -72.5 | 180 | 38.9 | 0 | 0 | 111.6 | E1541 Q1548 L1549 | E1541-Q1545 WeakPolarHBondContact O-CB 3.36Å; E1541-Q1545 VanDerWaalsContact O-CG 3.27Å; E1541-Q1545 WeakPolarHBondContact O-CG 3.42Å; E1541-Q1545 PolarHBondContact O-N 3.48Å; Q1545-Q1548 PolarHBondContact O-N 3.48Å; Q1545-L1549 WeakPolarHBondContact O-CG 3.39Å; Q1545-L1549 PolarHBondContact O-N 2.89Å |
| 1546 | R | 85.6 | Confident | 84.6 | Confident | 138 Ų | 138 | 99.9 Ų | 99.9 | 52% | 0.521 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -50.9 | 172.1 | -83.7 | 177.5 | -76.5 | -178.1 | -5.6 | 111.9 | A1542 K1543 Q1548 L1549 E1550 | A1542-R1546 WeakPolarHBondContact O-CB 3.4Å; A1542-R1546 WeakPolarHBondContact O-CG 3.25Å; A1542-R1546 PolarHBondContact O-N 3.43Å; A1542-R1546 PolarHBondContact O-NE 3.22Å; K1543-R1546 PolarHBondContact O-N 3.03Å; R1546-Q1548 VanDerWaalsContact C-N 3.26Å; R1546-Q1548 PolarHBondContact O-N 3.03Å; R1546-L1549 CarbonylContact O-C 3.57Å; R1546-L1549 PolarHBondContact O-N 2.75Å; R1546-E1550 WeakPolarHBondContact O-CB 3.26Å; R1546-E1550 WeakPolarHBondContact O-CG 3.43Å; R1546-E1550 PolarHBondContact O-N 3.02Å |
| 1547 | A | 83.3 | Confident | 84.6 | Confident | 52 Ų | 52 | 102 Ų | 102 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -31.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1543 V1544 M1551 | K1543-A1547 WeakPolarHBondContact O-CB 3.21Å; K1543-A1547 PolarHBondContact O-N 3.01Å; V1544-A1547 PolarHBondContact O-N 3.21Å; A1547-M1551 VanDerWaalsContact O-CB 3.23Å; A1547-M1551 WeakPolarHBondContact O-CB 3.25Å; A1547-M1551 PolarHBondContact O-N 2.96Å |
| 1548 | Q | 84.8 | Confident | 84.5 | Confident | 121 Ų | 121 | 101.3 Ų | 101.3 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -72 | -39.5 | 172.4 | -75.8 | 179.6 | 36.4 | 0 | 0 | 112.6 | V1544 Q1545 R1546 S1552 | V1544-Q1548 VanDerWaalsContact CG1-NE2 3.28Å; V1544-Q1548 WeakPolarHBondContact O-CB 3.43Å; V1544-Q1548 VanDerWaalsContact O-CG 3.27Å; V1544-Q1548 WeakPolarHBondContact O-CG 3.46Å; V1544-Q1548 PolarHBondContact O-N 3.2Å; Q1545-Q1548 PolarHBondContact O-N 3.48Å; R1546-Q1548 VanDerWaalsContact C-N 3.26Å; R1546-Q1548 PolarHBondContact O-N 3.03Å; Q1548-S1552 VanDerWaalsContact O-CB 3.29Å; Q1548-S1552 WeakPolarHBondContact O-CB 3.16Å; Q1548-S1552 PolarHBondContact O-N 2.87Å |
| 1549 | L | 84.7 | Confident | 84.4 | Confident | 105 Ų | 105 | 99.2 Ų | 99.2 | 55% | 0.55 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -47.4 | 174.1 | -74 | 167.2 | 0 | 0 | 0 | 111.1 | Q1545 R1546 S1552 Q1553 | Q1545-L1549 WeakPolarHBondContact O-CG 3.39Å; Q1545-L1549 PolarHBondContact O-N 2.89Å; R1546-L1549 CarbonylContact O-C 3.57Å; R1546-L1549 PolarHBondContact O-N 2.75Å; L1549-S1552 CarbonylContact O-C 3.52Å; L1549-S1552 WeakPolarHBondContact O-CA 3.22Å; L1549-S1552 WeakPolarHBondContact O-CB 3.31Å; L1549-S1552 PolarHBondContact O-N 3.48Å; L1549-S1552 VanDerWaalsContact O-N 3.09Å; L1549-Q1553 WeakPolarHBondContact O-CG 3.47Å; L1549-Q1553 PolarHBondContact O-N 3.25Å |
| 1550 | E | 84 | Confident | 84.4 | Confident | 102 Ų | 102 | 102.3 Ų | 102.3 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.2 | -49.7 | 174.4 | -71.9 | 163.6 | -162.3 | 0 | 0 | 110.9 | R1546 S1552 Q1553 I1554 | R1546-E1550 WeakPolarHBondContact O-CB 3.26Å; R1546-E1550 WeakPolarHBondContact O-CG 3.43Å; R1546-E1550 PolarHBondContact O-N 3.02Å; E1550-S1552 PolarHBondContact O-N 2.94Å; E1550-Q1553 PolarHBondContact O-N 2.82Å; E1550-I1554 WeakPolarHBondContact O-CB 3.14Å; E1550-I1554 VanDerWaalsContact O-CG1 3.26Å; E1550-I1554 WeakPolarHBondContact O-CG1 3.19Å; E1550-I1554 PolarHBondContact O-N 3.15Å |
| 1551 | M | 81.3 | Confident | 84.4 | Confident | 99 Ų | 99 | 104.3 Ų | 104.3 | 49% | 0.488 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -30.9 | 175.3 | -172.1 | -176.2 | 55.7 | 0 | 0 | 112.3 | A1547 R1555 | A1547-M1551 VanDerWaalsContact O-CB 3.23Å; A1547-M1551 WeakPolarHBondContact O-CB 3.25Å; A1547-M1551 PolarHBondContact O-N 2.96Å; M1551-R1555 WeakPolarHBondContact O-CB 3.22Å; M1551-R1555 WeakPolarHBondContact O-CD 3.31Å; M1551-R1555 WeakPolarHBondContact O-CG 3.17Å; M1551-R1555 PolarHBondContact O-N 3.08Å |
| 1552 | S | 84.4 | Confident | 84.1 | Confident | 56 Ų | 56 | 103.6 Ų | 103.6 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.6 | -39.2 | 174.7 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | Q1548 L1549 E1550 R1555 Q1556 | Q1548-S1552 VanDerWaalsContact O-CB 3.29Å; Q1548-S1552 WeakPolarHBondContact O-CB 3.16Å; Q1548-S1552 PolarHBondContact O-N 2.87Å; L1549-S1552 CarbonylContact O-C 3.52Å; L1549-S1552 WeakPolarHBondContact O-CA 3.22Å; L1549-S1552 WeakPolarHBondContact O-CB 3.31Å; L1549-S1552 PolarHBondContact O-N 3.48Å; L1549-S1552 VanDerWaalsContact O-N 3.09Å; E1550-S1552 PolarHBondContact O-N 2.94Å; S1552-R1555 PolarHBondContact O-N 3.19Å; S1552-Q1556 WeakPolarHBondContact O-CG 3.14Å; S1552-Q1556 PolarHBondContact O-N 2.85Å |
| 1553 | Q | 84.6 | Confident | 83.9 | Confident | 125 Ų | 125 | 104.2 Ų | 104.2 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.5 | -48.6 | 175 | -73.8 | 171.9 | -12.3 | 0 | 0 | 110.8 | L1549 E1550 R1555 Q1556 E1557 | L1549-Q1553 WeakPolarHBondContact O-CG 3.47Å; L1549-Q1553 PolarHBondContact O-N 3.25Å; E1550-Q1553 PolarHBondContact O-N 2.82Å; Q1553-R1555 VanDerWaalsContact C-N 3.27Å; Q1553-R1555 PolarHBondContact O-N 3.14Å; Q1553-Q1556 PolarHBondContact O-N 3.44Å; Q1553-Q1556 VanDerWaalsContact O-N 3.14Å; Q1553-E1557 WeakPolarHBondContact O-CB 3.47Å; Q1553-E1557 PolarHBondContact O-N 3.46Å |
| 1554 | I | 83.8 | Confident | 83.7 | Confident | 95 Ų | 95 | 103.6 Ų | 103.6 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 175.1 | -68.3 | 164.6 | 0 | 0 | 0 | 110.9 | E1550 I1558 | E1550-I1554 WeakPolarHBondContact O-CB 3.14Å; E1550-I1554 VanDerWaalsContact O-CG1 3.26Å; E1550-I1554 WeakPolarHBondContact O-CG1 3.19Å; E1550-I1554 PolarHBondContact O-N 3.15Å; I1554-I1558 HydrophobicContact CG2-CD1 3.72Å; I1554-I1558 HydrophobicContact CG2-CG1 4.41Å; I1554-I1558 WeakPolarHBondContact O-CB 3.3Å; I1554-I1558 WeakPolarHBondContact O-CG1 3.46Å; I1554-I1558 PolarHBondContact O-N 3.19Å |
| 1555 | R | 84 | Confident | 83.4 | Confident | 144 Ų | 144 | 103.9 Ų | 103.9 | 54% | 0.543 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -48.5 | 173.1 | -78.6 | 167 | -176.8 | -82.1 | -3.5 | 112.2 | M1551 S1552 Q1553 E1557 I1558 D1559 | M1551-R1555 WeakPolarHBondContact O-CB 3.22Å; M1551-R1555 WeakPolarHBondContact O-CD 3.31Å; M1551-R1555 WeakPolarHBondContact O-CG 3.17Å; M1551-R1555 PolarHBondContact O-N 3.08Å; S1552-R1555 PolarHBondContact O-N 3.19Å; Q1553-R1555 VanDerWaalsContact C-N 3.27Å; Q1553-R1555 PolarHBondContact O-N 3.14Å; R1555-E1557 VanDerWaalsContact C-N 3.29Å; R1555-E1557 PolarHBondContact O-N 2.89Å; R1555-I1558 PolarHBondContact O-N 3.18Å; R1555-D1559 WeakPolarHBondContact O-CB 3.46Å; R1555-D1559 VanDerWaalsContact O-CG 3.23Å; R1555-D1559 PolarHBondContact O-N 3.44Å |
| 1556 | Q | 84.1 | Confident | 83.3 | Confident | 131 Ų | 131 | 105.1 Ų | 105.1 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -36.1 | 177.4 | -74.6 | 177 | -3.1 | 0 | 0 | 112.3 | S1552 Q1553 R1560 | S1552-Q1556 WeakPolarHBondContact O-CG 3.14Å; S1552-Q1556 PolarHBondContact O-N 2.85Å; Q1553-Q1556 PolarHBondContact O-N 3.44Å; Q1553-Q1556 VanDerWaalsContact O-N 3.14Å; Q1556-R1560 WeakPolarHBondContact O-CB 3.31Å; Q1556-R1560 PolarHBondContact O-N 2.91Å |
| 1557 | E | 84.4 | Confident | 82.9 | Confident | 93 Ų | 93 | 105 Ų | 105 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 174.9 | -165.1 | -174.2 | -178.1 | 0 | 0 | 111.7 | Q1553 R1555 R1560 R1561 | Q1553-E1557 WeakPolarHBondContact O-CB 3.47Å; Q1553-E1557 PolarHBondContact O-N 3.46Å; R1555-E1557 VanDerWaalsContact C-N 3.29Å; R1555-E1557 PolarHBondContact O-N 2.89Å; E1557-R1560 PolarHBondContact O-N 3.02Å; E1557-R1561 HydrophobicContact CG-CG 4.34Å; E1557-R1561 VanDerWaalsContact O-CB 3.27Å; E1557-R1561 WeakPolarHBondContact O-CB 3.16Å; E1557-R1561 WeakPolarHBondContact O-CG 3.44Å; E1557-R1561 PolarHBondContact O-N 3.43Å; E1557-R1561 IonicContact OE1-CZ 2.56Å; E1557-R1561 IonicContact OE1-NE 3.84Å; E1557-R1561 PolarHBondContact OE1-NE 3.45Å; E1557-R1561 IonicContact OE1-NH2 3.8Å; E1557-R1561 PolarHBondContact OE1-NH2 2.95Å; E1557-R1561 IonicContact OE2-NH2 3.19Å |
| 1558 | I | 82.8 | Confident | 82.7 | Confident | 88 Ų | 88 | 107.2 Ų | 107.2 | 45% | 0.451 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 174.1 | -73.2 | 168.1 | 0 | 0 | 0 | 110.8 | I1554 R1555 R1560 R1561 L1562 | I1554-I1558 HydrophobicContact CG2-CD1 3.72Å; I1554-I1558 HydrophobicContact CG2-CG1 4.41Å; I1554-I1558 WeakPolarHBondContact O-CB 3.3Å; I1554-I1558 WeakPolarHBondContact O-CG1 3.46Å; I1554-I1558 PolarHBondContact O-N 3.19Å; R1555-I1558 PolarHBondContact O-N 3.18Å; I1558-R1560 VanDerWaalsContact C-N 3.3Å; I1558-R1560 PolarHBondContact O-N 3.23Å; I1558-R1561 PolarHBondContact O-N 3Å; I1558-L1562 HydrophobicContact CG2-CD1 3.84Å; I1558-L1562 HydrophobicContact CG2-CG 4.33Å; I1558-L1562 VanDerWaalsContact O-CB 3.31Å; I1558-L1562 WeakPolarHBondContact O-CB 3.41Å; I1558-L1562 VanDerWaalsContact O-CG 3.24Å; I1558-L1562 WeakPolarHBondContact O-CG 3.47Å; I1558-L1562 PolarHBondContact O-N 3.28Å |
| 1559 | D | 83.3 | Confident | 82.4 | Confident | 104 Ų | 104 | 108.1 Ų | 108.1 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.2 | -38 | 179.1 | -68.4 | -23 | 0 | 0 | 0 | 110.9 | R1555 A1563 | R1555-D1559 WeakPolarHBondContact O-CB 3.46Å; R1555-D1559 VanDerWaalsContact O-CG 3.23Å; R1555-D1559 PolarHBondContact O-N 3.44Å; D1559-A1563 PolarHBondContact O-N 2.98Å |
| 1560 | R | 84 | Confident | 82.2 | Confident | 168 Ų | 168 | 107.5 Ų | 107.5 | 63% | 0.634 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.3 | -50.2 | 172.6 | 178 | 179.2 | 167.6 | 172.7 | -1.7 | 112.2 | Q1556 E1557 I1558 L1562 A1563 E1564 | Q1556-R1560 WeakPolarHBondContact O-CB 3.31Å; Q1556-R1560 PolarHBondContact O-N 2.91Å; E1557-R1560 PolarHBondContact O-N 3.02Å; I1558-R1560 VanDerWaalsContact C-N 3.3Å; I1558-R1560 PolarHBondContact O-N 3.23Å; R1560-L1562 PolarHBondContact O-N 3.13Å; R1560-A1563 PolarHBondContact O-N 2.82Å; R1560-A1563 VanDerWaalsContact O-N 3.14Å; R1560-E1564 HydrophobicContact CG-CG 4.39Å; R1560-E1564 IonicContact CZ-OE1 2.87Å; R1560-E1564 IonicContact NE-OE1 3.14Å; R1560-E1564 PolarHBondContact NE-OE1 3.33Å; R1560-E1564 IonicContact NH2-OE1 3.49Å; R1560-E1564 PolarHBondContact NH2-OE1 2.83Å; R1560-E1564 WeakPolarHBondContact O-CB 3.37Å; R1560-E1564 WeakPolarHBondContact O-CG 3.41Å; R1560-E1564 PolarHBondContact O-N 2.87Å |
| 1561 | R | 83.1 | Confident | 81.9 | Confident | 141 Ų | 141 | 104.9 Ų | 104.9 | 53% | 0.532 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -31.7 | 177 | -74.1 | 174.7 | -178.8 | -156.2 | 8 | 111.3 | E1557 I1558 K1565 | E1557-R1561 HydrophobicContact CG-CG 4.34Å; E1557-R1561 VanDerWaalsContact O-CB 3.27Å; E1557-R1561 WeakPolarHBondContact O-CB 3.16Å; E1557-R1561 WeakPolarHBondContact O-CG 3.44Å; E1557-R1561 PolarHBondContact O-N 3.43Å; E1557-R1561 IonicContact OE1-CZ 2.56Å; E1557-R1561 IonicContact OE1-NE 3.84Å; E1557-R1561 PolarHBondContact OE1-NE 3.45Å; E1557-R1561 IonicContact OE1-NH2 3.8Å; E1557-R1561 PolarHBondContact OE1-NH2 2.95Å; E1557-R1561 IonicContact OE2-NH2 3.19Å; I1558-R1561 PolarHBondContact O-N 3Å; R1561-K1565 VanDerWaalsContact O-CB 3.29Å; R1561-K1565 WeakPolarHBondContact O-CB 3.23Å; R1561-K1565 WeakPolarHBondContact O-CG 3.25Å; R1561-K1565 PolarHBondContact O-N 2.72Å |
| 1562 | L | 79.8 | Confident | 81.7 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.2 | -45.8 | 172.5 | -77.1 | 171 | 0 | 0 | 0 | 111.4 | I1558 R1560 K1565 E1566 | I1558-L1562 HydrophobicContact CG2-CD1 3.84Å; I1558-L1562 HydrophobicContact CG2-CG 4.33Å; I1558-L1562 VanDerWaalsContact O-CB 3.31Å; I1558-L1562 WeakPolarHBondContact O-CB 3.41Å; I1558-L1562 VanDerWaalsContact O-CG 3.24Å; I1558-L1562 WeakPolarHBondContact O-CG 3.47Å; I1558-L1562 PolarHBondContact O-N 3.28Å; R1560-L1562 PolarHBondContact O-N 3.13Å; L1562-K1565 CarbonylContact O-C 3.3Å; L1562-K1565 PolarHBondContact O-N 2.82Å; L1562-E1566 WeakPolarHBondContact O-CG 3.05Å; L1562-E1566 PolarHBondContact O-N 3.38Å |
| 1563 | A | 82.6 | Confident | 81.4 | Confident | 50 Ų | 50 | 109.1 Ų | 109.1 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1559 R1560 K1565 E1566 E1567 | D1559-A1563 PolarHBondContact O-N 2.98Å; R1560-A1563 PolarHBondContact O-N 2.82Å; R1560-A1563 VanDerWaalsContact O-N 3.14Å; A1563-K1565 VanDerWaalsContact C-N 3.27Å; A1563-K1565 PolarHBondContact O-N 3.24Å; A1563-E1566 PolarHBondContact O-N 2.64Å; A1563-E1567 PolarHBondContact O-N 3.15Å |
| 1564 | E | 81.5 | Confident | 81.1 | Confident | 77 Ų | 77 | 107 Ų | 107 | 36% | 0.36 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.6 | -39 | 173.7 | -71.4 | 171.1 | 166.2 | 0 | 0 | 111.1 | R1560 E1568 | R1560-E1564 HydrophobicContact CG-CG 4.39Å; R1560-E1564 IonicContact CZ-OE1 2.87Å; R1560-E1564 IonicContact NE-OE1 3.14Å; R1560-E1564 PolarHBondContact NE-OE1 3.33Å; R1560-E1564 IonicContact NH2-OE1 3.49Å; R1560-E1564 PolarHBondContact NH2-OE1 2.83Å; R1560-E1564 WeakPolarHBondContact O-CB 3.37Å; R1560-E1564 WeakPolarHBondContact O-CG 3.41Å; R1560-E1564 PolarHBondContact O-N 2.87Å; E1564-E1568 WeakPolarHBondContact O-CG 3.49Å; E1564-E1568 PolarHBondContact O-N 3.15Å |
| 1565 | K | 81.5 | Confident | 80.7 | Confident | 82 Ų | 82 | 107.3 Ų | 107.3 | 36% | 0.357 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.2 | -34 | 174.3 | -74.4 | -68.1 | 172.2 | -142.4 | 0 | 114.1 | R1561 L1562 A1563 E1568 F1569 | R1561-K1565 VanDerWaalsContact O-CB 3.29Å; R1561-K1565 WeakPolarHBondContact O-CB 3.23Å; R1561-K1565 WeakPolarHBondContact O-CG 3.25Å; R1561-K1565 PolarHBondContact O-N 2.72Å; L1562-K1565 CarbonylContact O-C 3.3Å; L1562-K1565 PolarHBondContact O-N 2.82Å; A1563-K1565 VanDerWaalsContact C-N 3.27Å; A1563-K1565 PolarHBondContact O-N 3.24Å; K1565-E1568 IonicContact NZ-OE1 3.64Å; K1565-E1568 PolarHBondContact NZ-OE1 3.4Å; K1565-E1568 IonicContact NZ-OE2 2.65Å; K1565-E1568 PolarHBondContact NZ-OE2 2.93Å; K1565-E1568 PolarHBondContact O-N 3.3Å; K1565-F1569 HydrophobicContact CB-CD2 4.37Å; K1565-F1569 HydrophobicContact CB-CE2 4.26Å; K1565-F1569 VanDerWaalsContact O-CB 3.31Å; K1565-F1569 WeakPolarHBondContact O-CB 3.17Å; K1565-F1569 WeakPolarHBondContact O-CD2 3.47Å; K1565-F1569 VanDerWaalsContact O-CG 3.31Å; K1565-F1569 WeakPolarHBondContact O-CG 3.48Å; K1565-F1569 PolarHBondContact O-N 3.01Å |
| 1566 | E | 80.8 | Confident | 80.4 | Confident | 142 Ų | 142 | 106.7 Ų | 106.7 | 66% | 0.664 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.2 | -38.5 | 174.2 | -75.7 | -174.3 | 165.3 | 0 | 0 | 111 | L1562 A1563 F1569 E1570 | L1562-E1566 WeakPolarHBondContact O-CG 3.05Å; L1562-E1566 PolarHBondContact O-N 3.38Å; A1563-E1566 PolarHBondContact O-N 2.64Å; E1566-F1569 PolarHBondContact O-N 3Å; E1566-E1570 WeakPolarHBondContact O-CB 3.18Å; E1566-E1570 PolarHBondContact O-N 2.92Å |
| 1567 | E | 78.9 | Confident | 80 | Confident | 137 Ų | 137 | 105.3 Ų | 105.3 | 64% | 0.64 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.2 | -42.3 | 171.6 | -69.5 | -167 | 155.1 | 0 | 0 | 112.2 | A1563 F1569 E1570 A1571 | A1563-E1567 PolarHBondContact O-N 3.15Å; E1567-F1569 PolarHBondContact O-N 3.32Å; E1567-E1570 PolarHBondContact O-N 2.83Å; E1567-A1571 WeakPolarHBondContact O-CB 3.48Å; E1567-A1571 PolarHBondContact O-N 3.43Å |
| 1568 | E | 79.3 | Confident | 79.6 | Confident | 97 Ų | 97 | 106.9 Ų | 106.9 | 45% | 0.453 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 170.5 | -80.4 | -178 | -146.3 | 0 | 0 | 112.2 | E1564 K1565 A1571 T1572 | E1564-E1568 WeakPolarHBondContact O-CG 3.49Å; E1564-E1568 PolarHBondContact O-N 3.15Å; K1565-E1568 IonicContact NZ-OE1 3.64Å; K1565-E1568 PolarHBondContact NZ-OE1 3.4Å; K1565-E1568 IonicContact NZ-OE2 2.65Å; K1565-E1568 PolarHBondContact NZ-OE2 2.93Å; K1565-E1568 PolarHBondContact O-N 3.3Å; E1568-A1571 PolarHBondContact O-N 2.98Å; E1568-T1572 WeakPolarHBondContact O-CB 3.42Å; E1568-T1572 WeakPolarHBondContact O-CG2 3.31Å; E1568-T1572 PolarHBondContact O-N 3.46Å; E1568-T1572 PolarHBondContact O-OG1 3.48Å |
| 1569 | F | 78.3 | Confident | 79.2 | Confident | 140 Ų | 140 | 104.8 Ų | 104.8 | 61% | 0.614 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.3 | -35.4 | 179.6 | -76.4 | -49.5 | 0 | 0 | 0 | 112 | K1565 E1566 E1567 T1572 R1573 | K1565-F1569 HydrophobicContact CB-CD2 4.37Å; K1565-F1569 HydrophobicContact CB-CE2 4.26Å; K1565-F1569 VanDerWaalsContact O-CB 3.31Å; K1565-F1569 WeakPolarHBondContact O-CB 3.17Å; K1565-F1569 WeakPolarHBondContact O-CD2 3.47Å; K1565-F1569 VanDerWaalsContact O-CG 3.31Å; K1565-F1569 WeakPolarHBondContact O-CG 3.48Å; K1565-F1569 PolarHBondContact O-N 3.01Å; E1566-F1569 PolarHBondContact O-N 3Å; E1567-F1569 PolarHBondContact O-N 3.32Å; F1569-T1572 WeakPolarHBondContact CA-OG1 3.11Å; F1569-T1572 PolarHBondContact O-OG1 2.74Å; F1569-R1573 WeakPolarHBondContact O-CB 3.02Å; F1569-R1573 PolarHBondContact O-N 2.61Å |
| 1570 | E | 78.8 | Confident | 78.6 | Confident | 92 Ų | 92 | 105.1 Ų | 105.1 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.2 | -37.9 | 175.4 | -154.6 | -172.6 | 149.7 | 0 | 0 | 111.9 | E1566 E1567 R1573 K1574 | E1566-E1570 WeakPolarHBondContact O-CB 3.18Å; E1566-E1570 PolarHBondContact O-N 2.92Å; E1567-E1570 PolarHBondContact O-N 2.83Å; E1570-R1573 PolarHBondContact O-N 3.44Å; E1570-K1574 HydrophobicContact CG-CD 4.23Å; E1570-K1574 VanDerWaalsContact O-CB 3.28Å; E1570-K1574 WeakPolarHBondContact O-CB 3.48Å; E1570-K1574 WeakPolarHBondContact O-CG 3.42Å; E1570-K1574 PolarHBondContact O-N 3.28Å; E1570-K1574 WeakPolarHBondContact OE1-CE 3.47Å; E1570-K1574 IonicContact OE1-NZ 2.73Å; E1570-K1574 PolarHBondContact OE1-NZ 3.03Å |
| 1571 | A | 78.8 | Confident | 78.2 | Confident | 48 Ų | 48 | 101.9 Ų | 101.9 | 40% | 0.397 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -48.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1567 E1568 K1574 N1575 | E1567-A1571 WeakPolarHBondContact O-CB 3.48Å; E1567-A1571 PolarHBondContact O-N 3.43Å; E1568-A1571 PolarHBondContact O-N 2.98Å; A1571-K1574 PolarHBondContact O-N 2.85Å; A1571-N1575 WeakPolarHBondContact O-CB 3.46Å; A1571-N1575 VanDerWaalsContact O-CG 3.26Å; A1571-N1575 PolarHBondContact O-N 3.44Å |
| 1572 | T | 77.9 | Confident | 77.7 | Confident | 66 Ų | 66 | 99 Ų | 99 | 41% | 0.405 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 174.6 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | E1568 F1569 K1574 N1575 H1576 | E1568-T1572 WeakPolarHBondContact O-CB 3.42Å; E1568-T1572 WeakPolarHBondContact O-CG2 3.31Å; E1568-T1572 PolarHBondContact O-N 3.46Å; E1568-T1572 PolarHBondContact O-OG1 3.48Å; F1569-T1572 WeakPolarHBondContact CA-OG1 3.11Å; F1569-T1572 PolarHBondContact O-OG1 2.74Å; T1572-K1574 PolarHBondContact O-N 3.3Å; T1572-N1575 PolarHBondContact O-N 3.29Å; T1572-H1576 WeakPolarHBondContact O-CB 3.37Å; T1572-H1576 PolarHBondContact O-CD2 3.12Å; T1572-H1576 PolarHBondContact O-N 3.21Å |
| 1573 | R | 78.1 | Confident | 77.3 | Confident | 178 Ų | 178 | 99.4 Ų | 99.4 | 67% | 0.672 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.4 | -42.9 | 174.3 | -163.9 | -175.2 | 92.5 | -168.5 | 4.1 | 112.2 | F1569 E1570 Q1577 | F1569-R1573 WeakPolarHBondContact O-CB 3.02Å; F1569-R1573 PolarHBondContact O-N 2.61Å; E1570-R1573 PolarHBondContact O-N 3.44Å; R1573-Q1577 VanDerWaalsContact O-CB 3.22Å; R1573-Q1577 WeakPolarHBondContact O-CB 3.17Å; R1573-Q1577 PolarHBondContact O-N 3.17Å |
| 1574 | K | 77.4 | Confident | 76.7 | Confident | 81 Ų | 81 | 101 Ų | 101 | 35% | 0.352 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 176 | -80.4 | 169.1 | 163.7 | 166.8 | 0 | 111.7 | E1570 A1571 T1572 R1578 | E1570-K1574 HydrophobicContact CG-CD 4.23Å; E1570-K1574 VanDerWaalsContact O-CB 3.28Å; E1570-K1574 WeakPolarHBondContact O-CB 3.48Å; E1570-K1574 WeakPolarHBondContact O-CG 3.42Å; E1570-K1574 PolarHBondContact O-N 3.28Å; E1570-K1574 WeakPolarHBondContact OE1-CE 3.47Å; E1570-K1574 IonicContact OE1-NZ 2.73Å; E1570-K1574 PolarHBondContact OE1-NZ 3.03Å; A1571-K1574 PolarHBondContact O-N 2.85Å; T1572-K1574 PolarHBondContact O-N 3.3Å; K1574-R1578 WeakPolarHBondContact O-CB 3.26Å; K1574-R1578 VanDerWaalsContact O-CG 3.31Å; K1574-R1578 WeakPolarHBondContact O-CG 3.44Å; K1574-R1578 PolarHBondContact O-N 3.49Å |
| 1575 | N | 76.3 | Confident | 76.2 | Confident | 100 Ų | 100 | 99.6 Ų | 99.6 | 54% | 0.535 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.9 | -45.6 | 175.8 | -72.5 | -12.9 | 0 | 0 | 0 | 112.3 | A1571 T1572 R1578 A1579 | A1571-N1575 WeakPolarHBondContact O-CB 3.46Å; A1571-N1575 VanDerWaalsContact O-CG 3.26Å; A1571-N1575 PolarHBondContact O-N 3.44Å; T1572-N1575 PolarHBondContact O-N 3.29Å; N1575-R1578 PolarHBondContact O-N 3.46Å; N1575-A1579 WeakPolarHBondContact O-CB 3.33Å; N1575-A1579 PolarHBondContact O-N 3.02Å |
| 1576 | H | 77.3 | Confident | 75.7 | Confident | 131 Ų | 131 | 99.4 Ų | 99.4 | 61% | 0.606 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -39.2 | 174.2 | -73 | -57.9 | 0 | 0 | 0 | 112.1 | T1572 A1579 M1580 | T1572-H1576 WeakPolarHBondContact O-CB 3.37Å; T1572-H1576 PolarHBondContact O-CD2 3.12Å; T1572-H1576 PolarHBondContact O-N 3.21Å; H1576-A1579 PolarHBondContact O-N 3.48Å; H1576-M1580 WeakPolarHBondContact O-CB 3.33Å; H1576-M1580 WeakPolarHBondContact O-CG 3.47Å; H1576-M1580 PolarHBondContact O-N 3.16Å |
| 1577 | Q | 75 | Confident | 75.1 | Confident | 103 Ų | 103 | 98 Ų | 98 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 174.9 | -175.1 | 65.9 | 27.2 | 0 | 0 | 111.1 | R1573 A1579 M1580 E1581 | R1573-Q1577 VanDerWaalsContact O-CB 3.22Å; R1573-Q1577 WeakPolarHBondContact O-CB 3.17Å; R1573-Q1577 PolarHBondContact O-N 3.17Å; Q1577-A1579 PolarHBondContact O-N 3.3Å; Q1577-M1580 PolarHBondContact O-N 3.11Å; Q1577-E1581 WeakPolarHBondContact CG-OE1 3.38Å; Q1577-E1581 PolarHBondContact NE2-OE1 3.27Å; Q1577-E1581 WeakPolarHBondContact O-CB 3.48Å; Q1577-E1581 WeakPolarHBondContact O-CG 3.33Å; Q1577-E1581 PolarHBondContact O-N 3.03Å |
| 1578 | R | 75.3 | Confident | 74.7 | Confident | 125 Ų | 125 | 95.8 Ų | 95.8 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 176.2 | -75.4 | 169.4 | 165.2 | -169.4 | -11.5 | 113 | K1574 N1575 E1581 S1582 | K1574-R1578 WeakPolarHBondContact O-CB 3.26Å; K1574-R1578 VanDerWaalsContact O-CG 3.31Å; K1574-R1578 WeakPolarHBondContact O-CG 3.44Å; K1574-R1578 PolarHBondContact O-N 3.49Å; N1575-R1578 PolarHBondContact O-N 3.46Å; R1578-E1581 PolarHBondContact O-N 2.74Å; R1578-S1582 VanDerWaalsContact O-CB 3.24Å; R1578-S1582 WeakPolarHBondContact O-CB 3.39Å; R1578-S1582 PolarHBondContact O-N 2.97Å |
| 1579 | A | 75.5 | Confident | 74.2 | Confident | 44 Ų | 44 | 94.2 Ų | 94.2 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1575 H1576 Q1577 Q1583 | N1575-A1579 WeakPolarHBondContact O-CB 3.33Å; N1575-A1579 PolarHBondContact O-N 3.02Å; H1576-A1579 PolarHBondContact O-N 3.48Å; Q1577-A1579 PolarHBondContact O-N 3.3Å; A1579-Q1583 VanDerWaalsContact O-CB 3.26Å; A1579-Q1583 WeakPolarHBondContact O-CB 3.33Å; A1579-Q1583 VanDerWaalsContact O-CG 3.22Å; A1579-Q1583 WeakPolarHBondContact O-CG 3.39Å; A1579-Q1583 PolarHBondContact O-N 3.01Å |
| 1580 | M | 71.3 | Confident | 73.6 | Confident | 111 Ų | 111 | 92.8 Ų | 92.8 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 175 | -74.1 | -69.4 | -66.1 | 0 | 0 | 112.3 | H1576 Q1577 Q1584 | H1576-M1580 WeakPolarHBondContact O-CB 3.33Å; H1576-M1580 WeakPolarHBondContact O-CG 3.47Å; H1576-M1580 PolarHBondContact O-N 3.16Å; Q1577-M1580 PolarHBondContact O-N 3.11Å; M1580-Q1584 WeakPolarHBondContact O-CB 3.31Å; M1580-Q1584 PolarHBondContact O-N 2.77Å |
| 1581 | E | 74.5 | Confident | 73 | Confident | 101 Ų | 101 | 91 Ų | 91 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.6 | -45 | 176.5 | -74.8 | 166.3 | 175.9 | 0 | 0 | 111.5 | Q1577 R1578 Q1584 A1585 | Q1577-E1581 WeakPolarHBondContact CG-OE1 3.38Å; Q1577-E1581 PolarHBondContact NE2-OE1 3.27Å; Q1577-E1581 WeakPolarHBondContact O-CB 3.48Å; Q1577-E1581 WeakPolarHBondContact O-CG 3.33Å; Q1577-E1581 PolarHBondContact O-N 3.03Å; R1578-E1581 PolarHBondContact O-N 2.74Å; E1581-Q1584 PolarHBondContact O-N 2.96Å; E1581-A1585 WeakPolarHBondContact O-CB 3.47Å; E1581-A1585 PolarHBondContact O-N 3.48Å |
| 1582 | S | 73 | Confident | 72.6 | Confident | 80 Ų | 80 | 95 Ų | 95 | 56% | 0.559 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | 175.3 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | R1578 A1585 S1586 | R1578-S1582 VanDerWaalsContact O-CB 3.24Å; R1578-S1582 WeakPolarHBondContact O-CB 3.39Å; R1578-S1582 PolarHBondContact O-N 2.97Å; S1582-A1585 PolarHBondContact O-N 3.41Å; S1582-S1586 WeakPolarHBondContact O-CB 3.48Å; S1582-S1586 PolarHBondContact O-N 3.42Å |
| 1583 | Q | 70.6 | Confident | 72 | Confident | 103 Ų | 103 | 93.8 Ų | 93.8 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 175.2 | -74.6 | -178.7 | 10.6 | 0 | 0 | 111.9 | A1579 S1586 L1587 | A1579-Q1583 VanDerWaalsContact O-CB 3.26Å; A1579-Q1583 WeakPolarHBondContact O-CB 3.33Å; A1579-Q1583 VanDerWaalsContact O-CG 3.22Å; A1579-Q1583 WeakPolarHBondContact O-CG 3.39Å; A1579-Q1583 PolarHBondContact O-N 3.01Å; Q1583-S1586 PolarHBondContact O-N 3.15Å; Q1583-L1587 WeakPolarHBondContact O-CB 3.47Å; Q1583-L1587 PolarHBondContact O-N 3.45Å |
| 1584 | Q | 70.5 | Confident | 71.5 | Confident | 82 Ų | 82 | 91.2 Ų | 91.2 | 38% | 0.383 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.5 | -42.7 | 176.8 | -178.8 | 165.2 | -28.3 | 0 | 0 | 111.6 | M1580 E1581 L1587 E1588 | M1580-Q1584 WeakPolarHBondContact O-CB 3.31Å; M1580-Q1584 PolarHBondContact O-N 2.77Å; E1581-Q1584 PolarHBondContact O-N 2.96Å; Q1584-L1587 PolarHBondContact O-N 3.08Å; Q1584-E1588 HydrophobicContact CG-CG 4.28Å; Q1584-E1588 VanDerWaalsContact CG-OE1 3.28Å; Q1584-E1588 WeakPolarHBondContact CG-OE1 3.43Å; Q1584-E1588 PolarHBondContact NE2-OE1 2.75Å; Q1584-E1588 WeakPolarHBondContact O-CB 3.49Å; Q1584-E1588 WeakPolarHBondContact O-CG 3.49Å; Q1584-E1588 PolarHBondContact O-N 2.91Å |
| 1585 | A | 71.9 | Confident | 71 | Confident | 49 Ų | 49 | 90.2 Ų | 90.2 | 41% | 0.405 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1581 S1582 L1587 E1588 A1589 | E1581-A1585 WeakPolarHBondContact O-CB 3.47Å; E1581-A1585 PolarHBondContact O-N 3.48Å; S1582-A1585 PolarHBondContact O-N 3.41Å; A1585-L1587 PolarHBondContact O-N 2.8Å; A1585-E1588 PolarHBondContact O-N 3.47Å; A1585-A1589 WeakPolarHBondContact O-CB 3.41Å; A1585-A1589 PolarHBondContact O-N 2.95Å |
| 1586 | S | 70.2 | Confident | 70.7 | Confident | 78 Ų | 78 | 91.8 Ų | 91.8 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 175.7 | -172.7 | 0 | 0 | 0 | 0 | 112.4 | S1582 Q1583 E1590 | S1582-S1586 WeakPolarHBondContact O-CB 3.48Å; S1582-S1586 PolarHBondContact O-N 3.42Å; Q1583-S1586 PolarHBondContact O-N 3.15Å; S1586-E1590 WeakPolarHBondContact O-CB 3.47Å; S1586-E1590 PolarHBondContact O-N 3.46Å |
| 1587 | L | 68.4 | Low | 70.2 | Confident | 112 Ų | 112 | 88.4 Ų | 88.4 | 59% | 0.586 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.9 | -40.3 | 180 | -171.8 | 77 | 0 | 0 | 0 | 111.7 | Q1583 Q1584 A1585 A1591 | Q1583-L1587 WeakPolarHBondContact O-CB 3.47Å; Q1583-L1587 PolarHBondContact O-N 3.45Å; Q1584-L1587 PolarHBondContact O-N 3.08Å; A1585-L1587 PolarHBondContact O-N 2.8Å; L1587-A1591 WeakPolarHBondContact O-CB 3.3Å; L1587-A1591 PolarHBondContact O-N 2.9Å |
| 1588 | E | 70.2 | Confident | 69.9 | Low | 91 Ų | 91 | 88.5 Ų | 88.5 | 43% | 0.425 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 176.4 | -75.7 | -174.8 | -149.9 | 0 | 0 | 111.9 | Q1584 A1585 K1592 | Q1584-E1588 HydrophobicContact CG-CG 4.28Å; Q1584-E1588 VanDerWaalsContact CG-OE1 3.28Å; Q1584-E1588 WeakPolarHBondContact CG-OE1 3.43Å; Q1584-E1588 PolarHBondContact NE2-OE1 2.75Å; Q1584-E1588 WeakPolarHBondContact O-CB 3.49Å; Q1584-E1588 WeakPolarHBondContact O-CG 3.49Å; Q1584-E1588 PolarHBondContact O-N 2.91Å; A1585-E1588 PolarHBondContact O-N 3.47Å; E1588-K1592 WeakPolarHBondContact O-CB 3.49Å; E1588-K1592 WeakPolarHBondContact O-CG 3.3Å; E1588-K1592 PolarHBondContact O-N 2.66Å; E1588-K1592 VanDerWaalsContact O-N 3.08Å |
| 1589 | A | 69.2 | Low | 69.6 | Low | 64 Ų | 64 | 92.4 Ų | 92.4 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -50.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | A1585 G1593 | A1585-A1589 WeakPolarHBondContact O-CB 3.41Å; A1585-A1589 PolarHBondContact O-N 2.95Å; A1589-G1593 PolarHBondContact O-N 3.45Å |
| 1590 | E | 65.9 | Low | 69.4 | Low | 109 Ų | 109 | 94.5 Ų | 94.5 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 177.1 | -166.8 | -160.6 | 143.9 | 0 | 0 | 111 | S1586 K1592 G1593 K1594 | S1586-E1590 WeakPolarHBondContact O-CB 3.47Å; S1586-E1590 PolarHBondContact O-N 3.46Å; E1590-K1592 PolarHBondContact O-N 3.49Å; E1590-G1593 PolarHBondContact O-N 2.96Å; E1590-K1594 WeakPolarHBondContact O-CB 3.33Å; E1590-K1594 PolarHBondContact O-N 3.39Å; E1590-K1594 IonicContact OE1-NZ 3.39Å; E1590-K1594 PolarHBondContact OE1-NZ 3.01Å; E1590-K1594 VanDerWaalsContact OE1-NZ 3.14Å |
| 1591 | A | 66.6 | Low | 69.5 | Low | 56 Ų | 56 | 94.3 Ų | 94.3 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1587 A1595 | L1587-A1591 WeakPolarHBondContact O-CB 3.3Å; L1587-A1591 PolarHBondContact O-N 2.9Å; A1591-A1595 WeakPolarHBondContact O-CB 3.41Å; A1591-A1595 PolarHBondContact O-N 3.13Å |
| 1592 | K | 70.2 | Confident | 69.3 | Low | 132 Ų | 132 | 95.8 Ų | 95.8 | 57% | 0.574 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.1 | -54.6 | 173.8 | -77.6 | 174.8 | 178.8 | 167.7 | 0 | 111.3 | E1588 E1590 K1594 A1595 E1596 | E1588-K1592 WeakPolarHBondContact O-CB 3.49Å; E1588-K1592 WeakPolarHBondContact O-CG 3.3Å; E1588-K1592 PolarHBondContact O-N 2.66Å; E1588-K1592 VanDerWaalsContact O-N 3.08Å; E1590-K1592 PolarHBondContact O-N 3.49Å; K1592-K1594 VanDerWaalsContact C-N 3.31Å; K1592-K1594 PolarHBondContact O-N 2.68Å; K1592-A1595 PolarHBondContact O-N 3.1Å; K1592-A1595 VanDerWaalsContact O-N 3.16Å; K1592-E1596 WeakPolarHBondContact O-CB 3.42Å; K1592-E1596 WeakPolarHBondContact O-CG 3.39Å; K1592-E1596 PolarHBondContact O-N 3.28Å |
| 1593 | G | 65.1 | Low | 69.3 | Low | 40 Ų | 40 | 96.6 Ų | 96.6 | 41% | 0.412 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.3 | -41.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1589 E1590 A1597 | A1589-G1593 PolarHBondContact O-N 3.45Å; E1590-G1593 PolarHBondContact O-N 2.96Å; G1593-A1597 WeakPolarHBondContact O-CB 3.41Å; G1593-A1597 PolarHBondContact O-N 2.93Å |
| 1594 | K | 67 | Low | 69.4 | Low | 123 Ų | 123 | 96.2 Ų | 96.2 | 54% | 0.535 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.2 | -37.6 | 177.6 | -168 | 175.2 | -164.7 | 165.4 | 0 | 112.8 | E1590 K1592 M1598 | E1590-K1594 WeakPolarHBondContact O-CB 3.33Å; E1590-K1594 PolarHBondContact O-N 3.39Å; E1590-K1594 IonicContact OE1-NZ 3.39Å; E1590-K1594 PolarHBondContact OE1-NZ 3.01Å; E1590-K1594 VanDerWaalsContact OE1-NZ 3.14Å; K1592-K1594 VanDerWaalsContact C-N 3.31Å; K1592-K1594 PolarHBondContact O-N 2.68Å; K1594-M1598 WeakPolarHBondContact O-CB 3.37Å; K1594-M1598 PolarHBondContact O-N 2.85Å |
| 1595 | A | 67.6 | Low | 69.7 | Low | 60 Ų | 60 | 97 Ų | 97 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.3 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1591 K1592 R1599 | A1591-A1595 WeakPolarHBondContact O-CB 3.41Å; A1591-A1595 PolarHBondContact O-N 3.13Å; K1592-A1595 PolarHBondContact O-N 3.1Å; K1592-A1595 VanDerWaalsContact O-N 3.16Å; A1595-R1599 WeakPolarHBondContact O-CB 3.34Å; A1595-R1599 PolarHBondContact O-N 3.29Å |
| 1596 | E | 69.9 | Low | 69.6 | Low | 133 Ų | 133 | 100.1 Ų | 100.1 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68 | -47.3 | 176.7 | -70.7 | 179.7 | 164.5 | 0 | 0 | 111 | K1592 M1598 R1599 V1600 | K1592-E1596 WeakPolarHBondContact O-CB 3.42Å; K1592-E1596 WeakPolarHBondContact O-CG 3.39Å; K1592-E1596 PolarHBondContact O-N 3.28Å; E1596-M1598 PolarHBondContact O-N 3.06Å; E1596-R1599 PolarHBondContact O-N 3.42Å; E1596-R1599 VanDerWaalsContact O-N 3.16Å; E1596-V1600 WeakPolarHBondContact O-CG2 3.48Å; E1596-V1600 PolarHBondContact O-N 3.03Å |
| 1597 | A | 67.2 | Low | 69.8 | Low | 61 Ų | 61 | 98.4 Ų | 98.4 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1593 V1600 K1601 | G1593-A1597 WeakPolarHBondContact O-CB 3.41Å; G1593-A1597 PolarHBondContact O-N 2.93Å; A1597-V1600 PolarHBondContact O-N 3.17Å; A1597-K1601 VanDerWaalsContact O-CB 3.25Å; A1597-K1601 WeakPolarHBondContact O-CB 3.32Å; A1597-K1601 PolarHBondContact O-N 3.47Å |
| 1598 | M | 67.5 | Low | 70.1 | Confident | 104 Ų | 104 | 97.4 Ų | 97.4 | 51% | 0.512 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 174.6 | -83.8 | -144.1 | -67.3 | 0 | 0 | 113 | K1594 E1596 K1602 | K1594-M1598 WeakPolarHBondContact O-CB 3.37Å; K1594-M1598 PolarHBondContact O-N 2.85Å; E1596-M1598 PolarHBondContact O-N 3.06Å; M1598-K1602 VanDerWaalsContact O-CB 3.29Å; M1598-K1602 WeakPolarHBondContact O-CB 3.3Å; M1598-K1602 WeakPolarHBondContact O-CG 3.41Å; M1598-K1602 PolarHBondContact O-N 2.73Å |
| 1599 | R | 70.3 | Confident | 70.4 | Confident | 207 Ų | 207 | 97.8 Ų | 97.8 | 78% | 0.781 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.7 | -40.4 | 178 | -175.5 | 179.4 | -176.9 | -171.8 | 1.1 | 111.5 | A1595 E1596 K1603 | A1595-R1599 WeakPolarHBondContact O-CB 3.34Å; A1595-R1599 PolarHBondContact O-N 3.29Å; E1596-R1599 PolarHBondContact O-N 3.42Å; E1596-R1599 VanDerWaalsContact O-N 3.16Å; R1599-K1603 VanDerWaalsContact O-CB 3.26Å; R1599-K1603 WeakPolarHBondContact O-CB 3.45Å; R1599-K1603 PolarHBondContact O-N 2.78Å |
| 1600 | V | 70.8 | Confident | 70.7 | Confident | 88 Ų | 88 | 98.5 Ų | 98.5 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.1 | -52.9 | 174.8 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | E1596 A1597 K1602 K1603 L1604 | E1596-V1600 WeakPolarHBondContact O-CG2 3.48Å; E1596-V1600 PolarHBondContact O-N 3.03Å; A1597-V1600 PolarHBondContact O-N 3.17Å; V1600-K1602 PolarHBondContact O-N 2.88Å; V1600-K1603 PolarHBondContact O-N 2.97Å; V1600-L1604 HydrophobicContact CG1-CD1 3.71Å; V1600-L1604 HydrophobicContact CG1-CG 4.28Å; V1600-L1604 WeakPolarHBondContact O-CG 3.39Å; V1600-L1604 PolarHBondContact O-N 3.39Å |
| 1601 | K | 72.4 | Confident | 71.3 | Confident | 107 Ų | 107 | 99.1 Ų | 99.1 | 47% | 0.465 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.4 | -54.8 | -179.9 | 179.9 | 161.7 | -179 | 166.1 | 0 | 111.8 | A1597 K1603 L1604 E1605 | A1597-K1601 VanDerWaalsContact O-CB 3.25Å; A1597-K1601 WeakPolarHBondContact O-CB 3.32Å; A1597-K1601 PolarHBondContact O-N 3.47Å; K1601-K1603 VanDerWaalsContact C-N 3.31Å; K1601-K1603 PolarHBondContact O-N 2.83Å; K1601-L1604 PolarHBondContact O-N 3.45Å; K1601-E1605 WeakPolarHBondContact CE-OE1 3.43Å; K1601-E1605 HydrophobicContact CG-CG 4.22Å; K1601-E1605 WeakPolarHBondContact CG-OE1 3.26Å; K1601-E1605 IonicContact NZ-OE1 2.72Å; K1601-E1605 WeakPolarHBondContact O-CB 3.29Å; K1601-E1605 VanDerWaalsContact O-CG 3.29Å; K1601-E1605 WeakPolarHBondContact O-CG 3.46Å; K1601-E1605 PolarHBondContact O-N 3.35Å |
| 1602 | K | 71.5 | Confident | 71.8 | Confident | 133 Ų | 133 | 102.3 Ų | 102.3 | 58% | 0.578 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.2 | -33.5 | -179.9 | -70.7 | -170.6 | 175.8 | -169.6 | 0 | 113.6 | M1598 V1600 Q1606 | M1598-K1602 VanDerWaalsContact O-CB 3.29Å; M1598-K1602 WeakPolarHBondContact O-CB 3.3Å; M1598-K1602 WeakPolarHBondContact O-CG 3.41Å; M1598-K1602 PolarHBondContact O-N 2.73Å; V1600-K1602 PolarHBondContact O-N 2.88Å; K1602-Q1606 VanDerWaalsContact O-CB 3.29Å; K1602-Q1606 WeakPolarHBondContact O-CB 3.32Å; K1602-Q1606 PolarHBondContact O-N 3.36Å |
| 1603 | K | 72.6 | Confident | 72.1 | Confident | 96 Ų | 96 | 100.6 Ų | 100.6 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.8 | -44.3 | 175.4 | -173.6 | 178.5 | -174.7 | -72.6 | 0 | 111.1 | R1599 V1600 K1601 Q1606 D1607 | R1599-K1603 VanDerWaalsContact O-CB 3.26Å; R1599-K1603 WeakPolarHBondContact O-CB 3.45Å; R1599-K1603 PolarHBondContact O-N 2.78Å; V1600-K1603 PolarHBondContact O-N 2.97Å; K1601-K1603 VanDerWaalsContact C-N 3.31Å; K1601-K1603 PolarHBondContact O-N 2.83Å; K1603-Q1606 PolarHBondContact O-N 2.72Å; K1603-D1607 WeakPolarHBondContact CG-OD2 3.35Å; K1603-D1607 IonicContact NZ-OD1 2.94Å; K1603-D1607 IonicContact NZ-OD2 2.99Å; K1603-D1607 PolarHBondContact NZ-OD2 3.23Å; K1603-D1607 VanDerWaalsContact O-CB 3.31Å; K1603-D1607 WeakPolarHBondContact O-CB 3.41Å; K1603-D1607 VanDerWaalsContact O-CG 3.3Å; K1603-D1607 PolarHBondContact O-N 2.74Å |
| 1604 | L | 72.5 | Confident | 72.7 | Confident | 96 Ų | 96 | 102.5 Ų | 102.5 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 177.4 | -68.7 | 174.8 | 0 | 0 | 0 | 111.4 | V1600 K1601 Q1606 D1607 I1608 | V1600-L1604 HydrophobicContact CG1-CD1 3.71Å; V1600-L1604 HydrophobicContact CG1-CG 4.28Å; V1600-L1604 WeakPolarHBondContact O-CG 3.39Å; V1600-L1604 PolarHBondContact O-N 3.39Å; K1601-L1604 PolarHBondContact O-N 3.45Å; L1604-Q1606 VanDerWaalsContact C-N 3.35Å; L1604-Q1606 PolarHBondContact O-N 2.98Å; L1604-D1607 PolarHBondContact O-N 3.27Å; L1604-I1608 VanDerWaalsContact O-CB 3.23Å; L1604-I1608 WeakPolarHBondContact O-CB 3.38Å; L1604-I1608 WeakPolarHBondContact O-CD1 3.37Å; L1604-I1608 WeakPolarHBondContact O-CG1 3.45Å; L1604-I1608 PolarHBondContact O-N 2.87Å |
| 1605 | E | 75.6 | Confident | 73.3 | Confident | 97 Ų | 97 | 101.7 Ų | 101.7 | 45% | 0.453 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 174.1 | -71.2 | 169.5 | 151.8 | 0 | 0 | 111.9 | K1601 N1609 | K1601-E1605 WeakPolarHBondContact CE-OE1 3.43Å; K1601-E1605 HydrophobicContact CG-CG 4.22Å; K1601-E1605 WeakPolarHBondContact CG-OE1 3.26Å; K1601-E1605 IonicContact NZ-OE1 2.72Å; K1601-E1605 WeakPolarHBondContact O-CB 3.29Å; K1601-E1605 VanDerWaalsContact O-CG 3.29Å; K1601-E1605 WeakPolarHBondContact O-CG 3.46Å; K1601-E1605 PolarHBondContact O-N 3.35Å; E1605-N1609 WeakPolarHBondContact O-CB 3.37Å; E1605-N1609 PolarHBondContact O-N 2.84Å |
| 1606 | Q | 71.7 | Confident | 73.8 | Confident | 115 Ų | 115 | 102.1 Ų | 102.1 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.5 | -48.4 | 176.4 | -178.4 | 177.9 | -16 | 0 | 0 | 112.4 | K1602 K1603 L1604 I1608 N1609 E1610 | K1602-Q1606 VanDerWaalsContact O-CB 3.29Å; K1602-Q1606 WeakPolarHBondContact O-CB 3.32Å; K1602-Q1606 PolarHBondContact O-N 3.36Å; K1603-Q1606 PolarHBondContact O-N 2.72Å; L1604-Q1606 VanDerWaalsContact C-N 3.35Å; L1604-Q1606 PolarHBondContact O-N 2.98Å; Q1606-I1608 VanDerWaalsContact C-N 3.32Å; Q1606-I1608 PolarHBondContact O-N 2.98Å; Q1606-N1609 PolarHBondContact O-N 2.57Å; Q1606-E1610 HydrophobicContact CG-CG 4.38Å; Q1606-E1610 PolarHBondContact NE2-OE1 2.83Å; Q1606-E1610 WeakPolarHBondContact O-CB 3.48Å; Q1606-E1610 WeakPolarHBondContact O-CG 3.36Å; Q1606-E1610 PolarHBondContact O-N 2.77Å |
| 1607 | D | 74.2 | Confident | 74.1 | Confident | 43 Ų | 43 | 97.6 Ų | 97.6 | 23% | 0.23 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | -179.6 | -75.3 | -25.5 | 0 | 0 | 0 | 110.9 | K1603 L1604 L1611 | K1603-D1607 WeakPolarHBondContact CG-OD2 3.35Å; K1603-D1607 IonicContact NZ-OD1 2.94Å; K1603-D1607 IonicContact NZ-OD2 2.99Å; K1603-D1607 PolarHBondContact NZ-OD2 3.23Å; K1603-D1607 VanDerWaalsContact O-CB 3.31Å; K1603-D1607 WeakPolarHBondContact O-CB 3.41Å; K1603-D1607 VanDerWaalsContact O-CG 3.3Å; K1603-D1607 PolarHBondContact O-N 2.74Å; L1604-D1607 PolarHBondContact O-N 3.27Å; D1607-L1611 WeakPolarHBondContact O-CB 3Å; D1607-L1611 WeakPolarHBondContact O-CD1 3.37Å; D1607-L1611 WeakPolarHBondContact O-CG 3.4Å; D1607-L1611 PolarHBondContact O-N 2.91Å |
| 1608 | I | 74.9 | Confident | 74.7 | Confident | 91 Ų | 91 | 97.4 Ų | 97.4 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -50.1 | 173.9 | -70.7 | 166.5 | 0 | 0 | 0 | 110.2 | L1604 Q1606 E1610 L1611 E1612 | L1604-I1608 VanDerWaalsContact O-CB 3.23Å; L1604-I1608 WeakPolarHBondContact O-CB 3.38Å; L1604-I1608 WeakPolarHBondContact O-CD1 3.37Å; L1604-I1608 WeakPolarHBondContact O-CG1 3.45Å; L1604-I1608 PolarHBondContact O-N 2.87Å; Q1606-I1608 VanDerWaalsContact C-N 3.32Å; Q1606-I1608 PolarHBondContact O-N 2.98Å; I1608-E1610 PolarHBondContact O-N 3.12Å; I1608-L1611 CarbonylContact O-C 3.58Å; I1608-L1611 PolarHBondContact O-N 2.93Å; I1608-L1611 VanDerWaalsContact O-N 3.12Å; I1608-E1612 HydrophobicContact CG2-CG 4.09Å; I1608-E1612 WeakPolarHBondContact O-CB 3.44Å; I1608-E1612 WeakPolarHBondContact O-CG 3.25Å; I1608-E1612 PolarHBondContact O-N 2.89Å |
| 1609 | N | 76.6 | Confident | 75.4 | Confident | 98 Ų | 98 | 96.1 Ų | 96.1 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | -178.9 | -170.1 | 5.7 | 0 | 0 | 0 | 112.2 | E1605 Q1606 L1611 E1612 V1613 | E1605-N1609 WeakPolarHBondContact O-CB 3.37Å; E1605-N1609 PolarHBondContact O-N 2.84Å; Q1606-N1609 PolarHBondContact O-N 2.57Å; N1609-L1611 VanDerWaalsContact C-N 3.32Å; N1609-L1611 PolarHBondContact O-N 3.16Å; N1609-E1612 PolarHBondContact O-N 2.95Å; N1609-V1613 WeakPolarHBondContact O-CB 3.49Å; N1609-V1613 VanDerWaalsContact O-CG2 3.31Å; N1609-V1613 WeakPolarHBondContact O-CG2 3.39Å; N1609-V1613 PolarHBondContact O-N 3.28Å; N1609-V1613 WeakPolarHBondContact OD1-CG2 3.44Å |
| 1610 | E | 75.4 | Confident | 75.7 | Confident | 79 Ų | 79 | 93.9 Ų | 93.9 | 37% | 0.369 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 171.9 | -77.9 | -175.7 | -152.7 | 0 | 0 | 111.9 | K626 Q1606 I1608 S1614 | K626-E1610 IonicContact NZ-OE2 2.55Å; K626-E1610 PolarHBondContact NZ-OE2 2.77Å; Q1606-E1610 HydrophobicContact CG-CG 4.38Å; Q1606-E1610 PolarHBondContact NE2-OE1 2.83Å; Q1606-E1610 WeakPolarHBondContact O-CB 3.48Å; Q1606-E1610 WeakPolarHBondContact O-CG 3.36Å; Q1606-E1610 PolarHBondContact O-N 2.77Å; I1608-E1610 PolarHBondContact O-N 3.12Å; E1610-S1614 WeakPolarHBondContact O-CB 3.2Å; E1610-S1614 PolarHBondContact O-N 3.13Å |
| 1611 | L | 77 | Confident | 76.1 | Confident | 122 Ų | 122 | 92.1 Ų | 92.1 | 64% | 0.639 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -72.6 | -38.2 | 177.4 | -72.8 | 169.9 | 0 | 0 | 0 | 112.9 | D1607 I1608 N1609 S1614 L1615 | D1607-L1611 WeakPolarHBondContact O-CB 3Å; D1607-L1611 WeakPolarHBondContact O-CD1 3.37Å; D1607-L1611 WeakPolarHBondContact O-CG 3.4Å; D1607-L1611 PolarHBondContact O-N 2.91Å; I1608-L1611 CarbonylContact O-C 3.58Å; I1608-L1611 PolarHBondContact O-N 2.93Å; I1608-L1611 VanDerWaalsContact O-N 3.12Å; N1609-L1611 VanDerWaalsContact C-N 3.32Å; N1609-L1611 PolarHBondContact O-N 3.16Å; L1611-S1614 PolarHBondContact O-N 3.18Å; L1611-L1615 WeakPolarHBondContact O-CB 3.42Å; L1611-L1615 PolarHBondContact O-N 2.85Å |
| 1612 | E | 78.7 | Confident | 76.5 | Confident | 124 Ų | 124 | 95 Ų | 95 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.3 | -44.7 | 177.1 | -75.5 | -173.6 | 149 | 0 | 0 | 111.5 | I1608 N1609 S1614 L1615 D1616 | I1608-E1612 HydrophobicContact CG2-CG 4.09Å; I1608-E1612 WeakPolarHBondContact O-CB 3.44Å; I1608-E1612 WeakPolarHBondContact O-CG 3.25Å; I1608-E1612 PolarHBondContact O-N 2.89Å; N1609-E1612 PolarHBondContact O-N 2.95Å; E1612-S1614 VanDerWaalsContact C-N 3.34Å; E1612-L1615 PolarHBondContact O-N 2.76Å; E1612-D1616 WeakPolarHBondContact O-CB 3.31Å; E1612-D1616 PolarHBondContact O-N 2.75Å |
| 1613 | V | 75.9 | Confident | 77 | Confident | 95 Ų | 95 | 91 Ų | 91 | 58% | 0.576 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.8 | -38.8 | 174.4 | 172 | 0 | 0 | 0 | 0 | 111.1 | N1609 G1617 | N1609-V1613 WeakPolarHBondContact O-CB 3.49Å; N1609-V1613 VanDerWaalsContact O-CG2 3.31Å; N1609-V1613 WeakPolarHBondContact O-CG2 3.39Å; N1609-V1613 PolarHBondContact O-N 3.28Å; N1609-V1613 WeakPolarHBondContact OD1-CG2 3.44Å; V1613-G1617 PolarHBondContact O-N 3.2Å |
| 1614 | S | 78.3 | Confident | 77.3 | Confident | 81 Ų | 81 | 92.3 Ų | 92.3 | 57% | 0.566 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.2 | -41.7 | 174.5 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | E1610 L1611 E1612 G1617 A1618 | E1610-S1614 WeakPolarHBondContact O-CB 3.2Å; E1610-S1614 PolarHBondContact O-N 3.13Å; L1611-S1614 PolarHBondContact O-N 3.18Å; E1612-S1614 VanDerWaalsContact C-N 3.34Å; S1614-G1617 PolarHBondContact O-N 3.11Å; S1614-A1618 WeakPolarHBondContact O-CB 3.45Å; S1614-A1618 PolarHBondContact O-N 2.95Å |
| 1615 | L | 78.3 | Confident | 77.8 | Confident | 105 Ų | 105 | 93.5 Ų | 93.5 | 55% | 0.55 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.3 | -42.7 | 178.7 | 178.9 | 60.1 | 0 | 0 | 0 | 112.2 | L1611 E1612 A1618 N1619 | L1611-L1615 WeakPolarHBondContact O-CB 3.42Å; L1611-L1615 PolarHBondContact O-N 2.85Å; E1612-L1615 PolarHBondContact O-N 2.76Å; L1615-A1618 PolarHBondContact O-N 3.43Å; L1615-N1619 VanDerWaalsContact O-CB 3.31Å; L1615-N1619 WeakPolarHBondContact O-CB 3.44Å; L1615-N1619 VanDerWaalsContact O-CG 3.25Å; L1615-N1619 PolarHBondContact O-N 2.95Å; L1615-N1619 PolarHBondContact O-ND2 3.39Å |
| 1616 | D | 77.7 | Confident | 78 | Confident | 69 Ų | 69 | 93.1 Ų | 93.1 | 37% | 0.369 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 174.1 | -173.8 | 31.9 | 0 | 0 | 0 | 110.8 | E1612 A1618 N1619 R1620 | E1612-D1616 WeakPolarHBondContact O-CB 3.31Å; E1612-D1616 PolarHBondContact O-N 2.75Å; D1616-A1618 PolarHBondContact O-N 3.03Å; D1616-N1619 PolarHBondContact O-N 2.85Å; D1616-R1620 VanDerWaalsContact CG-NE 3.3Å; D1616-R1620 WeakPolarHBondContact O-CB 3.49Å; D1616-R1620 WeakPolarHBondContact O-CG 3.5Å; D1616-R1620 PolarHBondContact O-N 3.18Å; D1616-R1620 IonicContact OD1-NE 2.69Å; D1616-R1620 PolarHBondContact OD1-NE 3.37Å; D1616-R1620 IonicContact OD2-CZ 3.33Å; D1616-R1620 IonicContact OD2-NE 3.27Å; D1616-R1620 PolarHBondContact OD2-NE 2.99Å; D1616-R1620 IonicContact OD2-NH2 3.95Å; D1616-R1620 PolarHBondContact OD2-NH2 3.41Å |
| 1617 | G | 77.9 | Confident | 78.5 | Confident | 38 Ų | 38 | 94.9 Ų | 94.9 | 39% | 0.392 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.1 | -47.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1613 S1614 R1620 A1621 | V1613-G1617 PolarHBondContact O-N 3.2Å; S1614-G1617 PolarHBondContact O-N 3.11Å; G1617-R1620 PolarHBondContact O-N 2.83Å; G1617-A1621 WeakPolarHBondContact O-CB 3.16Å; G1617-A1621 PolarHBondContact O-N 2.93Å |
| 1618 | A | 79.7 | Confident | 78.8 | Confident | 57 Ų | 57 | 95.1 Ų | 95.1 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1614 L1615 D1616 R1622 | S1614-A1618 WeakPolarHBondContact O-CB 3.45Å; S1614-A1618 PolarHBondContact O-N 2.95Å; L1615-A1618 PolarHBondContact O-N 3.43Å; D1616-A1618 PolarHBondContact O-N 3.03Å; A1618-R1622 VanDerWaalsContact O-CB 3.29Å; A1618-R1622 WeakPolarHBondContact O-CB 3.45Å; A1618-R1622 PolarHBondContact O-N 3.09Å |
| 1619 | N | 80.7 | Confident | 79 | Confident | 77 Ų | 77 | 94.5 Ų | 94.5 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.2 | -39.8 | 176.8 | -77.8 | -40.6 | 0 | 0 | 0 | 112.3 | L1615 D1616 R1622 A1623 | L1615-N1619 VanDerWaalsContact O-CB 3.31Å; L1615-N1619 WeakPolarHBondContact O-CB 3.44Å; L1615-N1619 VanDerWaalsContact O-CG 3.25Å; L1615-N1619 PolarHBondContact O-N 2.95Å; L1615-N1619 PolarHBondContact O-ND2 3.39Å; D1616-N1619 PolarHBondContact O-N 2.85Å; N1619-R1622 PolarHBondContact O-N 3.09Å; N1619-A1623 VanDerWaalsContact O-CB 3.3Å; N1619-A1623 WeakPolarHBondContact O-CB 3.46Å; N1619-A1623 PolarHBondContact O-N 2.93Å |
| 1620 | R | 78.3 | Confident | 79.3 | Confident | 161 Ų | 161 | 95.2 Ų | 95.2 | 61% | 0.608 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -49.3 | 172.6 | -71.7 | 173.8 | -168.3 | -152.8 | 10.2 | 110.8 | D1616 G1617 R1622 A1623 E1624 | D1616-R1620 VanDerWaalsContact CG-NE 3.3Å; D1616-R1620 WeakPolarHBondContact O-CB 3.49Å; D1616-R1620 WeakPolarHBondContact O-CG 3.5Å; D1616-R1620 PolarHBondContact O-N 3.18Å; D1616-R1620 IonicContact OD1-NE 2.69Å; D1616-R1620 PolarHBondContact OD1-NE 3.37Å; D1616-R1620 IonicContact OD2-CZ 3.33Å; D1616-R1620 IonicContact OD2-NE 3.27Å; D1616-R1620 PolarHBondContact OD2-NE 2.99Å; D1616-R1620 IonicContact OD2-NH2 3.95Å; D1616-R1620 PolarHBondContact OD2-NH2 3.41Å; G1617-R1620 PolarHBondContact O-N 2.83Å; R1620-R1622 VanDerWaalsContact C-N 3.34Å; R1620-R1622 PolarHBondContact O-N 2.9Å; R1620-A1623 PolarHBondContact O-N 2.97Å; R1620-A1623 VanDerWaalsContact O-N 3.16Å; R1620-E1624 WeakPolarHBondContact O-CB 3.17Å; R1620-E1624 PolarHBondContact O-N 3.32Å |
| 1621 | A | 79.1 | Confident | 79.6 | Confident | 50 Ų | 50 | 97 Ų | 97 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G1617 E1624 Q1625 | G1617-A1621 WeakPolarHBondContact O-CB 3.16Å; G1617-A1621 PolarHBondContact O-N 2.93Å; A1621-E1624 PolarHBondContact O-N 3.16Å; A1621-Q1625 WeakPolarHBondContact O-CG 3.35Å; A1621-Q1625 PolarHBondContact O-N 3.48Å |
| 1622 | R | 80.2 | Confident | 79.7 | Confident | 169 Ų | 169 | 97.1 Ų | 97.1 | 64% | 0.638 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.8 | -47.6 | 173 | 178 | -176.4 | 166.3 | -171.4 | -2.6 | 111.9 | A1618 N1619 R1620 E1624 Q1625 E1626 | A1618-R1622 VanDerWaalsContact O-CB 3.29Å; A1618-R1622 WeakPolarHBondContact O-CB 3.45Å; A1618-R1622 PolarHBondContact O-N 3.09Å; N1619-R1622 PolarHBondContact O-N 3.09Å; R1620-R1622 VanDerWaalsContact C-N 3.34Å; R1620-R1622 PolarHBondContact O-N 2.9Å; R1622-E1624 VanDerWaalsContact C-N 3.31Å; R1622-E1624 PolarHBondContact O-N 3.11Å; R1622-Q1625 PolarHBondContact O-N 3.01Å; R1622-E1626 WeakPolarHBondContact O-CB 3.33Å; R1622-E1626 PolarHBondContact O-N 2.9Å |
| 1623 | A | 80.9 | Confident | 79.8 | Confident | 48 Ų | 48 | 96.7 Ų | 96.7 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.5 | -31 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1619 R1620 K1627 | N1619-A1623 VanDerWaalsContact O-CB 3.3Å; N1619-A1623 WeakPolarHBondContact O-CB 3.46Å; N1619-A1623 PolarHBondContact O-N 2.93Å; R1620-A1623 PolarHBondContact O-N 2.97Å; R1620-A1623 VanDerWaalsContact O-N 3.16Å; A1623-K1627 WeakPolarHBondContact O-CB 3.49Å; A1623-K1627 VanDerWaalsContact O-CG 3.27Å; A1623-K1627 WeakPolarHBondContact O-CG 3.31Å; A1623-K1627 PolarHBondContact O-N 2.86Å |
| 1624 | E | 80.7 | Confident | 80 | Confident | 123 Ų | 123 | 97.8 Ų | 97.8 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.2 | -43.6 | 173.1 | -174.9 | 165.6 | -158 | 0 | 0 | 111.6 | R1620 A1621 R1622 K1627 N1628 | R1620-E1624 WeakPolarHBondContact O-CB 3.17Å; R1620-E1624 PolarHBondContact O-N 3.32Å; A1621-E1624 PolarHBondContact O-N 3.16Å; R1622-E1624 VanDerWaalsContact C-N 3.31Å; R1622-E1624 PolarHBondContact O-N 3.11Å; E1624-K1627 WeakPolarHBondContact O-CB 3.32Å; E1624-K1627 PolarHBondContact O-N 3.45Å; E1624-N1628 WeakPolarHBondContact O-CB 3.5Å; E1624-N1628 VanDerWaalsContact O-CG 3.24Å; E1624-N1628 PolarHBondContact O-N 3.05Å; E1624-N1628 PolarHBondContact O-ND2 3.02Å |
| 1625 | Q | 81.5 | Confident | 80 | Confident | 121 Ų | 121 | 97.8 Ų | 97.8 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.6 | -39.9 | 173.2 | -66 | -62.8 | 1.2 | 0 | 0 | 112 | A1621 R1622 K1627 N1628 V1629 | A1621-Q1625 WeakPolarHBondContact O-CG 3.35Å; A1621-Q1625 PolarHBondContact O-N 3.48Å; R1622-Q1625 PolarHBondContact O-N 3.01Å; Q1625-K1627 VanDerWaalsContact C-N 3.31Å; Q1625-K1627 PolarHBondContact O-N 3.45Å; Q1625-N1628 PolarHBondContact O-N 3.43Å; Q1625-N1628 VanDerWaalsContact O-N 3.15Å; Q1625-V1629 WeakPolarHBondContact O-CG2 3.24Å; Q1625-V1629 PolarHBondContact O-N 3.08Å |
| 1626 | E | 80.9 | Confident | 80 | Confident | 89 Ų | 89 | 96.5 Ų | 96.5 | 42% | 0.416 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 175 | -160.8 | -172.1 | 125.3 | 0 | 0 | 111.9 | R1622 K1630 | R1622-E1626 WeakPolarHBondContact O-CB 3.33Å; R1622-E1626 PolarHBondContact O-N 2.9Å; E1626-K1630 WeakPolarHBondContact O-CB 3.38Å; E1626-K1630 WeakPolarHBondContact O-CD 3.3Å; E1626-K1630 VanDerWaalsContact O-CG 3.29Å; E1626-K1630 WeakPolarHBondContact O-CG 3.49Å; E1626-K1630 PolarHBondContact O-N 3.39Å; E1626-K1630 VanDerWaalsContact O-N 3.14Å; E1626-K1630 IonicContact OE1-NZ 2.79Å; E1626-K1630 PolarHBondContact OE1-NZ 2.88Å |
| 1627 | K | 80.9 | Confident | 80.1 | Confident | 153 Ų | 153 | 101.8 Ų | 101.8 | 67% | 0.665 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 169.5 | -79.7 | 173.3 | 179.9 | 179.5 | 0 | 112.2 | A1623 E1624 Q1625 K1630 K1631 | A1623-K1627 WeakPolarHBondContact O-CB 3.49Å; A1623-K1627 VanDerWaalsContact O-CG 3.27Å; A1623-K1627 WeakPolarHBondContact O-CG 3.31Å; A1623-K1627 PolarHBondContact O-N 2.86Å; E1624-K1627 WeakPolarHBondContact O-CB 3.32Å; E1624-K1627 PolarHBondContact O-N 3.45Å; Q1625-K1627 VanDerWaalsContact C-N 3.31Å; Q1625-K1627 PolarHBondContact O-N 3.45Å; K1627-K1630 PolarHBondContact O-N 2.97Å; K1627-K1631 VanDerWaalsContact O-CB 3.27Å; K1627-K1631 WeakPolarHBondContact O-CB 3.46Å; K1627-K1631 PolarHBondContact O-N 3.46Å |
| 1628 | N | 82.3 | Confident | 80.2 | Confident | 48 Ų | 48 | 104.6 Ų | 104.6 | 26% | 0.257 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 179.4 | -71.8 | -25.2 | 0 | 0 | 0 | 111.4 | E1624 Q1625 K1630 K1631 F1632 | E1624-N1628 WeakPolarHBondContact O-CB 3.5Å; E1624-N1628 VanDerWaalsContact O-CG 3.24Å; E1624-N1628 PolarHBondContact O-N 3.05Å; E1624-N1628 PolarHBondContact O-ND2 3.02Å; Q1625-N1628 PolarHBondContact O-N 3.43Å; Q1625-N1628 VanDerWaalsContact O-N 3.15Å; N1628-K1630 PolarHBondContact O-N 3.48Å; N1628-K1631 PolarHBondContact O-N 2.85Å; N1628-F1632 HydrophobicContact CB-CE2 4.15Å; N1628-F1632 WeakPolarHBondContact O-CD2 3.42Å; N1628-F1632 VanDerWaalsContact O-CG 3.32Å; N1628-F1632 WeakPolarHBondContact O-CG 3.48Å; N1628-F1632 PolarHBondContact O-N 3.4Å |
| 1629 | V | 78.8 | Confident | 80.1 | Confident | 78 Ų | 78 | 107.5 Ų | 107.5 | 47% | 0.473 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.6 | -48 | 173 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | Q1625 K1631 F1632 Q1633 | Q1625-V1629 WeakPolarHBondContact O-CG2 3.24Å; Q1625-V1629 PolarHBondContact O-N 3.08Å; V1629-K1631 VanDerWaalsContact C-N 3.34Å; V1629-K1631 PolarHBondContact O-N 2.94Å; V1629-F1632 PolarHBondContact O-N 3.35Å; V1629-Q1633 HydrophobicContact CG1-CG 4.5Å; V1629-Q1633 WeakPolarHBondContact O-CB 3.33Å; V1629-Q1633 WeakPolarHBondContact O-CG 3.47Å; V1629-Q1633 PolarHBondContact O-N 3.19Å |
| 1630 | K | 81.7 | Confident | 80 | Confident | 112 Ų | 112 | 109.1 Ų | 109.1 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 176.4 | -73.5 | 168.2 | -179.9 | 171.8 | 0 | 112.5 | E1626 K1627 N1628 Q1634 | E1626-K1630 WeakPolarHBondContact O-CB 3.38Å; E1626-K1630 WeakPolarHBondContact O-CD 3.3Å; E1626-K1630 VanDerWaalsContact O-CG 3.29Å; E1626-K1630 WeakPolarHBondContact O-CG 3.49Å; E1626-K1630 PolarHBondContact O-N 3.39Å; E1626-K1630 VanDerWaalsContact O-N 3.14Å; E1626-K1630 IonicContact OE1-NZ 2.79Å; E1626-K1630 PolarHBondContact OE1-NZ 2.88Å; K1627-K1630 PolarHBondContact O-N 2.97Å; N1628-K1630 PolarHBondContact O-N 3.48Å; K1630-Q1634 WeakPolarHBondContact O-CB 3.1Å; K1630-Q1634 PolarHBondContact O-N 2.92Å |
| 1631 | K | 81.9 | Confident | 80 | Confident | 117 Ų | 117 | 104.4 Ų | 104.4 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 175.1 | -177.7 | -175.9 | 173.2 | -173.3 | 0 | 111.4 | K1627 N1628 V1629 Q1634 Q1635 | K1627-K1631 VanDerWaalsContact O-CB 3.27Å; K1627-K1631 WeakPolarHBondContact O-CB 3.46Å; K1627-K1631 PolarHBondContact O-N 3.46Å; N1628-K1631 PolarHBondContact O-N 2.85Å; V1629-K1631 VanDerWaalsContact C-N 3.34Å; V1629-K1631 PolarHBondContact O-N 2.94Å; K1631-Q1634 PolarHBondContact O-N 3.41Å; K1631-Q1635 HydrophobicContact CG-CG 4.4Å; K1631-Q1635 WeakPolarHBondContact O-CB 3.38Å; K1631-Q1635 WeakPolarHBondContact O-CG 3.4Å; K1631-Q1635 PolarHBondContact O-N 2.88Å |
| 1632 | F | 80.3 | Confident | 80 | Confident | 125 Ų | 125 | 108 Ų | 108 | 55% | 0.548 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 177.3 | -64.8 | -44.9 | 0 | 0 | 0 | 111.7 | N1628 V1629 Q1634 Q1635 V1636 | N1628-F1632 HydrophobicContact CB-CE2 4.15Å; N1628-F1632 WeakPolarHBondContact O-CD2 3.42Å; N1628-F1632 VanDerWaalsContact O-CG 3.32Å; N1628-F1632 WeakPolarHBondContact O-CG 3.48Å; N1628-F1632 PolarHBondContact O-N 3.4Å; V1629-F1632 PolarHBondContact O-N 3.35Å; F1632-Q1634 VanDerWaalsContact C-N 3.28Å; F1632-Q1634 PolarHBondContact O-N 2.93Å; F1632-Q1635 PolarHBondContact O-N 3.46Å; F1632-V1636 WeakPolarHBondContact O-CB 3.47Å; F1632-V1636 WeakPolarHBondContact O-CG2 3.36Å; F1632-V1636 PolarHBondContact O-N 3.08Å |
| 1633 | Q | 79.1 | Confident | 79.9 | Confident | 115 Ų | 115 | 104.9 Ų | 104.9 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.9 | -40.7 | 171.9 | -75.1 | 177 | -16.6 | 0 | 0 | 112.1 | V1629 R1637 | V1629-Q1633 HydrophobicContact CG1-CG 4.5Å; V1629-Q1633 WeakPolarHBondContact O-CB 3.33Å; V1629-Q1633 WeakPolarHBondContact O-CG 3.47Å; V1629-Q1633 PolarHBondContact O-N 3.19Å; Q1633-R1637 WeakPolarHBondContact O-CG 3.08Å; Q1633-R1637 PolarHBondContact O-N 3.22Å; Q1633-R1637 VanDerWaalsContact O-N 3.14Å |
| 1634 | Q | 80.3 | Confident | 79.8 | Confident | 118 Ų | 118 | 108.1 Ų | 108.1 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.8 | -41.9 | 176.1 | -178.2 | 162.5 | -18.5 | 0 | 0 | 112.3 | K1630 K1631 F1632 V1636 R1637 E1638 | K1630-Q1634 WeakPolarHBondContact O-CB 3.1Å; K1630-Q1634 PolarHBondContact O-N 2.92Å; K1631-Q1634 PolarHBondContact O-N 3.41Å; F1632-Q1634 VanDerWaalsContact C-N 3.28Å; F1632-Q1634 PolarHBondContact O-N 2.93Å; Q1634-V1636 VanDerWaalsContact C-N 3.33Å; Q1634-V1636 PolarHBondContact O-N 2.98Å; Q1634-R1637 CarbonylContact O-C 3.53Å; Q1634-R1637 PolarHBondContact O-N 3.43Å; Q1634-E1638 HydrophobicContact CG-CG 4.26Å; Q1634-E1638 VanDerWaalsContact CG-OE1 3.27Å; Q1634-E1638 WeakPolarHBondContact CG-OE1 3.41Å; Q1634-E1638 PolarHBondContact NE2-OE1 3.41Å; Q1634-E1638 WeakPolarHBondContact O-CB 3.16Å; Q1634-E1638 WeakPolarHBondContact O-CG 3.45Å; Q1634-E1638 PolarHBondContact O-N 3.29Å |
| 1635 | Q | 80.1 | Confident | 79.6 | Confident | 80 Ų | 80 | 105.6 Ų | 105.6 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 175.8 | -73.8 | -173.1 | -72.3 | 0 | 0 | 112.5 | K1631 F1632 E1638 L1639 | K1631-Q1635 HydrophobicContact CG-CG 4.4Å; K1631-Q1635 WeakPolarHBondContact O-CB 3.38Å; K1631-Q1635 WeakPolarHBondContact O-CG 3.4Å; K1631-Q1635 PolarHBondContact O-N 2.88Å; F1632-Q1635 PolarHBondContact O-N 3.46Å; Q1635-E1638 PolarHBondContact O-N 3.36Å; Q1635-L1639 VanDerWaalsContact O-CB 3.32Å; Q1635-L1639 WeakPolarHBondContact O-CB 2.94Å; Q1635-L1639 VanDerWaalsContact O-CG 3.26Å; Q1635-L1639 WeakPolarHBondContact O-CG 3.35Å; Q1635-L1639 PolarHBondContact O-N 3.12Å |
| 1636 | V | 78.2 | Confident | 79.4 | Confident | 78 Ų | 78 | 104 Ų | 104 | 47% | 0.473 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 172.2 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | F1632 Q1634 L1639 Q1640 | F1632-V1636 WeakPolarHBondContact O-CB 3.47Å; F1632-V1636 WeakPolarHBondContact O-CG2 3.36Å; F1632-V1636 PolarHBondContact O-N 3.08Å; Q1634-V1636 VanDerWaalsContact C-N 3.33Å; Q1634-V1636 PolarHBondContact O-N 2.98Å; V1636-L1639 PolarHBondContact O-N 2.93Å; V1636-Q1640 HydrophobicContact CG1-CG 4.41Å; V1636-Q1640 VanDerWaalsContact O-CB 3.32Å; V1636-Q1640 WeakPolarHBondContact O-CB 3.5Å; V1636-Q1640 VanDerWaalsContact O-CG 3.24Å; V1636-Q1640 WeakPolarHBondContact O-CG 3.28Å; V1636-Q1640 PolarHBondContact O-N 2.97Å |
| 1637 | R | 79.7 | Confident | 79.2 | Confident | 181 Ų | 181 | 103.5 Ų | 103.5 | 68% | 0.683 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.8 | -38.5 | 174.8 | -74.2 | 176.8 | 179.9 | -179.6 | 0.9 | 113.2 | Q1633 Q1634 Q1640 S1641 | Q1633-R1637 WeakPolarHBondContact O-CG 3.08Å; Q1633-R1637 PolarHBondContact O-N 3.22Å; Q1633-R1637 VanDerWaalsContact O-N 3.14Å; Q1634-R1637 CarbonylContact O-C 3.53Å; Q1634-R1637 PolarHBondContact O-N 3.43Å; R1637-Q1640 PolarHBondContact O-N 3.03Å; R1637-S1641 VanDerWaalsContact O-CB 3.31Å; R1637-S1641 WeakPolarHBondContact O-CB 3.17Å; R1637-S1641 PolarHBondContact O-N 3.11Å |
| 1638 | E | 78.7 | Confident | 79 | Confident | 96 Ų | 96 | 104.2 Ų | 104.2 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 175.3 | -75.2 | 167.7 | -178.5 | 0 | 0 | 110.5 | Q1634 Q1635 S1641 Q1642 | Q1634-E1638 HydrophobicContact CG-CG 4.26Å; Q1634-E1638 VanDerWaalsContact CG-OE1 3.27Å; Q1634-E1638 WeakPolarHBondContact CG-OE1 3.41Å; Q1634-E1638 PolarHBondContact NE2-OE1 3.41Å; Q1634-E1638 WeakPolarHBondContact O-CB 3.16Å; Q1634-E1638 WeakPolarHBondContact O-CG 3.45Å; Q1634-E1638 PolarHBondContact O-N 3.29Å; Q1635-E1638 PolarHBondContact O-N 3.36Å; E1638-S1641 PolarHBondContact O-N 3.45Å; E1638-Q1642 WeakPolarHBondContact O-CB 3.48Å; E1638-Q1642 PolarHBondContact O-N 3.06Å |
| 1639 | L | 78.5 | Confident | 78.8 | Confident | 119 Ų | 119 | 107.5 Ų | 107.5 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -35 | 174.7 | -72.6 | 169.7 | 0 | 0 | 0 | 113.1 | Q1635 V1636 L1643 | Q1635-L1639 VanDerWaalsContact O-CB 3.32Å; Q1635-L1639 WeakPolarHBondContact O-CB 2.94Å; Q1635-L1639 VanDerWaalsContact O-CG 3.26Å; Q1635-L1639 WeakPolarHBondContact O-CG 3.35Å; Q1635-L1639 PolarHBondContact O-N 3.12Å; V1636-L1639 PolarHBondContact O-N 2.93Å; L1639-L1643 VanDerWaalsContact O-CB 3.22Å; L1639-L1643 WeakPolarHBondContact O-CB 3.46Å; L1639-L1643 PolarHBondContact O-N 3.26Å |
| 1640 | Q | 78.5 | Confident | 78.7 | Confident | 111 Ų | 111 | 112.8 Ų | 112.8 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -51.1 | 172.2 | -78.6 | 171.4 | -23.7 | 0 | 0 | 110.8 | V1636 R1637 Q1642 L1643 E1644 | V1636-Q1640 HydrophobicContact CG1-CG 4.41Å; V1636-Q1640 VanDerWaalsContact O-CB 3.32Å; V1636-Q1640 WeakPolarHBondContact O-CB 3.5Å; V1636-Q1640 VanDerWaalsContact O-CG 3.24Å; V1636-Q1640 WeakPolarHBondContact O-CG 3.28Å; V1636-Q1640 PolarHBondContact O-N 2.97Å; R1637-Q1640 PolarHBondContact O-N 3.03Å; Q1640-Q1642 VanDerWaalsContact C-N 3.26Å; Q1640-Q1642 PolarHBondContact O-N 3.25Å; Q1640-L1643 PolarHBondContact O-N 3.42Å; Q1640-E1644 WeakPolarHBondContact O-CG 3.47Å; Q1640-E1644 PolarHBondContact O-N 2.87Å |
| 1641 | S | 78.5 | Confident | 78.4 | Confident | 61 Ų | 61 | 112 Ų | 112 | 43% | 0.427 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 176 | -169.4 | 0 | 0 | 0 | 0 | 111.5 | R1637 E1638 E1644 D1645 | R1637-S1641 VanDerWaalsContact O-CB 3.31Å; R1637-S1641 WeakPolarHBondContact O-CB 3.17Å; R1637-S1641 PolarHBondContact O-N 3.11Å; E1638-S1641 PolarHBondContact O-N 3.45Å; S1641-E1644 PolarHBondContact O-N 3.49Å; S1641-D1645 WeakPolarHBondContact O-CB 3.14Å; S1641-D1645 PolarHBondContact O-N 3.12Å |
| 1642 | Q | 79.3 | Confident | 78.1 | Confident | 126 Ų | 126 | 110.5 Ų | 110.5 | 59% | 0.589 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -76.1 | -29.2 | -179.2 | -163.6 | 154.6 | 36.1 | 0 | 0 | 112.4 | E1638 Q1640 D1646 | E1638-Q1642 WeakPolarHBondContact O-CB 3.48Å; E1638-Q1642 PolarHBondContact O-N 3.06Å; Q1640-Q1642 VanDerWaalsContact C-N 3.26Å; Q1640-Q1642 PolarHBondContact O-N 3.25Å; Q1642-D1646 VanDerWaalsContact O-CB 3.31Å; Q1642-D1646 WeakPolarHBondContact O-CB 3.13Å; Q1642-D1646 PolarHBondContact O-N 2.87Å |
| 1643 | L | 77.4 | Confident | 77.9 | Confident | 103 Ų | 103 | 109.8 Ų | 109.8 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.5 | -36 | 168.2 | -176.6 | 68.7 | 0 | 0 | 0 | 111.9 | L1639 Q1640 Q1647 | L1639-L1643 VanDerWaalsContact O-CB 3.22Å; L1639-L1643 WeakPolarHBondContact O-CB 3.46Å; L1639-L1643 PolarHBondContact O-N 3.26Å; Q1640-L1643 PolarHBondContact O-N 3.42Å; L1643-Q1647 WeakPolarHBondContact O-CB 3.48Å; L1643-Q1647 VanDerWaalsContact O-CG 3.26Å; L1643-Q1647 WeakPolarHBondContact O-CG 3.43Å; L1643-Q1647 PolarHBondContact O-N 3.25Å |
| 1644 | E | 78.3 | Confident | 77.7 | Confident | 117 Ų | 117 | 112 Ų | 112 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71 | -36.2 | 173.2 | -73 | -168.1 | 157.4 | 0 | 0 | 112 | Q1640 S1641 Q1647 R1648 | Q1640-E1644 WeakPolarHBondContact O-CG 3.47Å; Q1640-E1644 PolarHBondContact O-N 2.87Å; S1641-E1644 PolarHBondContact O-N 3.49Å; E1644-Q1647 PolarHBondContact O-N 3.07Å; E1644-R1648 VanDerWaalsContact O-CB 3.31Å; E1644-R1648 WeakPolarHBondContact O-CB 3.1Å; E1644-R1648 WeakPolarHBondContact O-CG 3.4Å; E1644-R1648 PolarHBondContact O-N 3.43Å |
| 1645 | D | 77.5 | Confident | 77.4 | Confident | 69 Ų | 69 | 113 Ų | 113 | 37% | 0.369 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.9 | -32.9 | 172.9 | -75.4 | -31.6 | 0 | 0 | 0 | 112.1 | S1641 Q1649 | S1641-D1645 WeakPolarHBondContact O-CB 3.14Å; S1641-D1645 PolarHBondContact O-N 3.12Å; D1645-Q1649 VanDerWaalsContact O-CB 3.29Å; D1645-Q1649 WeakPolarHBondContact O-CB 3.18Å; D1645-Q1649 VanDerWaalsContact O-CG 3.3Å; D1645-Q1649 WeakPolarHBondContact O-CG 3.16Å; D1645-Q1649 PolarHBondContact O-N 3.05Å |
| 1646 | D | 75.9 | Confident | 77.1 | Confident | 87 Ų | 87 | 115 Ų | 115 | 47% | 0.465 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.9 | -36.5 | 169.9 | -96.8 | 15.3 | 0 | 0 | 0 | 111.8 | Q1642 R1650 | Q1642-D1646 VanDerWaalsContact O-CB 3.31Å; Q1642-D1646 WeakPolarHBondContact O-CB 3.13Å; Q1642-D1646 PolarHBondContact O-N 2.87Å; D1646-R1650 WeakPolarHBondContact O-CB 3.28Å; D1646-R1650 WeakPolarHBondContact O-CG 3.2Å; D1646-R1650 PolarHBondContact O-N 3.21Å |
| 1647 | Q | 78.1 | Confident | 77 | Confident | 80 Ų | 80 | 117.7 Ų | 117.7 | 37% | 0.374 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.4 | -46 | 171.9 | -79 | 174.5 | 34.2 | 0 | 0 | 110.5 | L1643 E1644 R1650 D1651 | L1643-Q1647 WeakPolarHBondContact O-CB 3.48Å; L1643-Q1647 VanDerWaalsContact O-CG 3.26Å; L1643-Q1647 WeakPolarHBondContact O-CG 3.43Å; L1643-Q1647 PolarHBondContact O-N 3.25Å; E1644-Q1647 PolarHBondContact O-N 3.07Å; Q1647-R1650 PolarHBondContact O-N 2.99Å; Q1647-D1651 PolarHBondContact O-N 3.43Å |
| 1648 | R | 77.2 | Confident | 76.8 | Confident | 168 Ų | 168 | 113.3 Ų | 113.3 | 63% | 0.634 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.8 | -45 | 171.5 | -85.1 | 179.7 | 164.2 | 165.9 | -2 | 112.2 | E1644 R1650 D1651 D1652 | E1644-R1648 VanDerWaalsContact O-CB 3.31Å; E1644-R1648 WeakPolarHBondContact O-CB 3.1Å; E1644-R1648 WeakPolarHBondContact O-CG 3.4Å; E1644-R1648 PolarHBondContact O-N 3.43Å; R1648-R1650 VanDerWaalsContact C-N 3.28Å; R1648-R1650 PolarHBondContact O-N 2.72Å; R1648-D1651 PolarHBondContact O-N 3.48Å; R1648-D1652 WeakPolarHBondContact O-CA 3.49Å; R1648-D1652 WeakPolarHBondContact O-CB 3.28Å; R1648-D1652 PolarHBondContact O-N 3.32Å |
| 1649 | Q | 76.6 | Confident | 76.5 | Confident | 116 Ų | 116 | 110.5 Ų | 110.5 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -32.6 | 176.8 | -80.7 | -177.7 | 53.9 | 0 | 0 | 112 | D1645 L1653 | D1645-Q1649 VanDerWaalsContact O-CB 3.29Å; D1645-Q1649 WeakPolarHBondContact O-CB 3.18Å; D1645-Q1649 VanDerWaalsContact O-CG 3.3Å; D1645-Q1649 WeakPolarHBondContact O-CG 3.16Å; D1645-Q1649 PolarHBondContact O-N 3.05Å; Q1649-L1653 WeakPolarHBondContact O-CB 3.26Å; Q1649-L1653 WeakPolarHBondContact O-CD1 3.43Å; Q1649-L1653 WeakPolarHBondContact O-CG 3.48Å; Q1649-L1653 PolarHBondContact O-N 3.12Å |
| 1650 | R | 76.4 | Confident | 76.2 | Confident | 190 Ų | 190 | 107.6 Ų | 107.6 | 72% | 0.717 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.8 | -44.9 | 172 | -79.6 | -179.1 | 178.5 | -165.1 | 1.8 | 112.5 | D1646 Q1647 R1648 L1653 R1654 | D1646-R1650 WeakPolarHBondContact O-CB 3.28Å; D1646-R1650 WeakPolarHBondContact O-CG 3.2Å; D1646-R1650 PolarHBondContact O-N 3.21Å; Q1647-R1650 PolarHBondContact O-N 2.99Å; R1648-R1650 VanDerWaalsContact C-N 3.28Å; R1648-R1650 PolarHBondContact O-N 2.72Å; R1650-L1653 PolarHBondContact O-N 3.35Å; R1650-R1654 WeakPolarHBondContact O-CB 3.46Å; R1650-R1654 PolarHBondContact O-N 3.39Å |
| 1651 | D | 77.1 | Confident | 75.9 | Confident | 95 Ų | 95 | 107.8 Ų | 107.8 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.8 | -37.6 | 179.2 | -75 | -25.3 | 0 | 0 | 0 | 111.5 | Q1647 R1648 L1653 R1654 E1655 | Q1647-D1651 PolarHBondContact O-N 3.43Å; R1648-D1651 PolarHBondContact O-N 3.48Å; D1651-L1653 VanDerWaalsContact C-N 3.34Å; D1651-L1653 PolarHBondContact O-N 2.67Å; D1651-R1654 CarbonylContact O-C 3.12Å; D1651-R1654 WeakPolarHBondContact O-CB 3.44Å; D1651-R1654 PolarHBondContact O-N 3.3Å; D1651-R1654 VanDerWaalsContact O-N 3.12Å; D1651-E1655 WeakPolarHBondContact O-CB 3.46Å; D1651-E1655 PolarHBondContact O-N 2.83Å |
| 1652 | D | 74.8 | Confident | 75.6 | Confident | 85 Ų | 85 | 112.4 Ų | 112.4 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.8 | -36.8 | 167.2 | -82.1 | 4.5 | 0 | 0 | 0 | 111.4 | R1648 R1654 Q1656 | R1648-D1652 WeakPolarHBondContact O-CA 3.49Å; R1648-D1652 WeakPolarHBondContact O-CB 3.28Å; R1648-D1652 PolarHBondContact O-N 3.32Å; D1652-R1654 VanDerWaalsContact C-N 3.34Å; D1652-Q1656 WeakPolarHBondContact O-CA 3.28Å; D1652-Q1656 WeakPolarHBondContact O-CB 3.25Å; D1652-Q1656 WeakPolarHBondContact O-CG 3.24Å; D1652-Q1656 PolarHBondContact O-N 3.04Å |
| 1653 | L | 75.5 | Confident | 75.1 | Confident | 110 Ų | 110 | 114.4 Ų | 114.4 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -72.1 | -30.2 | 172.9 | -81.4 | 167.3 | 0 | 0 | 0 | 111.7 | Q1649 R1650 D1651 F1657 | Q1649-L1653 WeakPolarHBondContact O-CB 3.26Å; Q1649-L1653 WeakPolarHBondContact O-CD1 3.43Å; Q1649-L1653 WeakPolarHBondContact O-CG 3.48Å; Q1649-L1653 PolarHBondContact O-N 3.12Å; R1650-L1653 PolarHBondContact O-N 3.35Å; D1651-L1653 VanDerWaalsContact C-N 3.34Å; D1651-L1653 PolarHBondContact O-N 2.67Å; L1653-F1657 WeakPolarHBondContact O-CB 3.24Å; L1653-F1657 PolarHBondContact O-N 3.03Å |
| 1654 | R | 76.4 | Confident | 74.6 | Confident | 163 Ų | 163 | 112.6 Ų | 112.6 | 62% | 0.615 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -75.6 | -41.1 | 176.5 | -144.2 | 170.9 | -175.6 | -171.5 | -2.6 | 111 | R1650 D1651 D1652 F1657 Q1658 | R1650-R1654 WeakPolarHBondContact O-CB 3.46Å; R1650-R1654 PolarHBondContact O-N 3.39Å; D1651-R1654 CarbonylContact O-C 3.12Å; D1651-R1654 WeakPolarHBondContact O-CB 3.44Å; D1651-R1654 PolarHBondContact O-N 3.3Å; D1651-R1654 VanDerWaalsContact O-N 3.12Å; D1652-R1654 VanDerWaalsContact C-N 3.34Å; R1654-F1657 PolarHBondContact O-N 3.19Å; R1654-Q1658 WeakPolarHBondContact O-CB 3.41Å; R1654-Q1658 WeakPolarHBondContact O-CG 3.4Å; R1654-Q1658 PolarHBondContact O-N 3.21Å |
| 1655 | E | 73.7 | Confident | 74.2 | Confident | 139 Ų | 139 | 112 Ų | 112 | 65% | 0.65 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.9 | -41.7 | 168.8 | -78.7 | -145 | 146.3 | 0 | 0 | 111.3 | D1651 F1657 Q1658 A1659 | D1651-E1655 WeakPolarHBondContact O-CB 3.46Å; D1651-E1655 PolarHBondContact O-N 2.83Å; E1655-F1657 VanDerWaalsContact C-N 3.31Å; E1655-F1657 PolarHBondContact O-N 3.13Å; E1655-Q1658 CarbonylContact O-C 3.56Å; E1655-Q1658 PolarHBondContact O-N 3.38Å; E1655-A1659 WeakPolarHBondContact O-CA 3.49Å; E1655-A1659 WeakPolarHBondContact O-CB 3.13Å; E1655-A1659 PolarHBondContact O-N 3.26Å |
| 1656 | Q | 72.9 | Confident | 73.8 | Confident | 120 Ų | 120 | 112 Ų | 112 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.6 | -32.7 | 174.1 | -78 | 173.9 | 53.5 | 0 | 0 | 111.7 | D1652 A1660 | D1652-Q1656 WeakPolarHBondContact O-CA 3.28Å; D1652-Q1656 WeakPolarHBondContact O-CB 3.25Å; D1652-Q1656 WeakPolarHBondContact O-CG 3.24Å; D1652-Q1656 PolarHBondContact O-N 3.04Å; Q1656-A1660 WeakPolarHBondContact O-CA 3.48Å; Q1656-A1660 WeakPolarHBondContact O-CB 3.4Å; Q1656-A1660 PolarHBondContact O-N 2.97Å |
| 1657 | F | 75.8 | Confident | 73.2 | Confident | 136 Ų | 136 | 112 Ų | 112 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.5 | -54.3 | 171.1 | -176.1 | -87.6 | 0 | 0 | 0 | 110.6 | L1653 R1654 E1655 A1659 A1660 E1661 | L1653-F1657 WeakPolarHBondContact O-CB 3.24Å; L1653-F1657 PolarHBondContact O-N 3.03Å; R1654-F1657 PolarHBondContact O-N 3.19Å; E1655-F1657 VanDerWaalsContact C-N 3.31Å; E1655-F1657 PolarHBondContact O-N 3.13Å; F1657-A1659 VanDerWaalsContact C-N 3.27Å; F1657-A1659 PolarHBondContact O-N 3.28Å; F1657-A1660 PolarHBondContact O-N 2.63Å; F1657-A1660 VanDerWaalsContact O-N 3.14Å; F1657-E1661 WeakPolarHBondContact O-CB 3.39Å; F1657-E1661 PolarHBondContact O-N 3.5Å |
| 1658 | Q | 76.1 | Confident | 72.8 | Confident | 89 Ų | 89 | 111.4 Ų | 111.4 | 42% | 0.416 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.5 | -31.9 | 177 | -73.9 | -166.3 | 6.8 | 0 | 0 | 113 | R1654 E1655 R1662 | R1654-Q1658 WeakPolarHBondContact O-CB 3.41Å; R1654-Q1658 WeakPolarHBondContact O-CG 3.4Å; R1654-Q1658 PolarHBondContact O-N 3.21Å; E1655-Q1658 CarbonylContact O-C 3.56Å; E1655-Q1658 PolarHBondContact O-N 3.38Å; Q1658-R1662 VanDerWaalsContact O-CB 3.24Å; Q1658-R1662 WeakPolarHBondContact O-CB 3.3Å; Q1658-R1662 WeakPolarHBondContact O-CG 3.39Å; Q1658-R1662 PolarHBondContact O-N 2.93Å |
| 1659 | A | 72.3 | Confident | 72.4 | Confident | 36 Ų | 36 | 105.3 Ų | 105.3 | 30% | 0.298 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -82.9 | -22.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1655 F1657 R1663 | E1655-A1659 WeakPolarHBondContact O-CA 3.49Å; E1655-A1659 WeakPolarHBondContact O-CB 3.13Å; E1655-A1659 PolarHBondContact O-N 3.26Å; F1657-A1659 VanDerWaalsContact C-N 3.27Å; F1657-A1659 PolarHBondContact O-N 3.28Å; A1659-R1663 WeakPolarHBondContact O-CA 3.21Å; A1659-R1663 WeakPolarHBondContact O-CB 3.44Å; A1659-R1663 WeakPolarHBondContact O-CG 3.38Å; A1659-R1663 PolarHBondContact O-N 3.43Å |
| 1660 | A | 73 | Confident | 71.6 | Confident | 58 Ų | 58 | 103.8 Ų | 103.8 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -75.4 | -34.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111 | Q1656 F1657 R1663 A1664 | Q1656-A1660 WeakPolarHBondContact O-CA 3.48Å; Q1656-A1660 WeakPolarHBondContact O-CB 3.4Å; Q1656-A1660 PolarHBondContact O-N 2.97Å; F1657-A1660 PolarHBondContact O-N 2.63Å; F1657-A1660 VanDerWaalsContact O-N 3.14Å; A1660-R1663 CarbonylContact O-C 3.45Å; A1660-R1663 PolarHBondContact O-N 3.1Å; A1660-A1664 VanDerWaalsContact O-CB 3.28Å; A1660-A1664 WeakPolarHBondContact O-CB 3.1Å; A1660-A1664 PolarHBondContact O-N 2.85Å |
| 1661 | E | 71.7 | Confident | 70.7 | Confident | 116 Ų | 116 | 99.6 Ų | 99.6 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.6 | -44.4 | 174.5 | -167.6 | 165.4 | -133.2 | 0 | 0 | 111.4 | F1657 A1664 T1665 | F1657-E1661 WeakPolarHBondContact O-CB 3.39Å; F1657-E1661 PolarHBondContact O-N 3.5Å; E1661-A1664 PolarHBondContact O-N 2.96Å; E1661-T1665 PolarHBondContact O-N 3.28Å; E1661-T1665 VanDerWaalsContact O-N 3.13Å; E1661-T1665 PolarHBondContact O-OG1 2.55Å |
| 1662 | R | 71.7 | Confident | 70 | Confident | 157 Ų | 157 | 99.8 Ų | 99.8 | 59% | 0.592 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.9 | -37.6 | 167.7 | -70 | 179.7 | -135.1 | -165.6 | 6.5 | 111.9 | Q1658 T1665 V1666 | Q1658-R1662 VanDerWaalsContact O-CB 3.24Å; Q1658-R1662 WeakPolarHBondContact O-CB 3.3Å; Q1658-R1662 WeakPolarHBondContact O-CG 3.39Å; Q1658-R1662 PolarHBondContact O-N 2.93Å; R1662-T1665 WeakPolarHBondContact CA-OG1 3.08Å; R1662-T1665 PolarHBondContact O-N 3.16Å; R1662-T1665 PolarHBondContact O-OG1 3.17Å; R1662-T1665 VanDerWaalsContact O-OG1 3.05Å; R1662-V1666 VanDerWaalsContact O-CB 3.25Å; R1662-V1666 WeakPolarHBondContact O-CB 3.41Å; R1662-V1666 VanDerWaalsContact O-CG2 3.23Å; R1662-V1666 WeakPolarHBondContact O-CG2 3.4Å; R1662-V1666 PolarHBondContact O-N 3.11Å |
| 1663 | R | 68.3 | Low | 69.4 | Low | 168 Ų | 168 | 102.7 Ų | 102.7 | 63% | 0.634 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.9 | -28 | 171 | -79.1 | 174.2 | -168.3 | 171.2 | 7.6 | 112.4 | A1659 A1660 T1665 L1667 | A1659-R1663 WeakPolarHBondContact O-CA 3.21Å; A1659-R1663 WeakPolarHBondContact O-CB 3.44Å; A1659-R1663 WeakPolarHBondContact O-CG 3.38Å; A1659-R1663 PolarHBondContact O-N 3.43Å; A1660-R1663 CarbonylContact O-C 3.45Å; A1660-R1663 PolarHBondContact O-N 3.1Å; R1663-T1665 VanDerWaalsContact C-N 3.31Å; R1663-L1667 HydrophobicContact CB-CD1 4.15Å; R1663-L1667 HydrophobicContact CB-CG 4.4Å; R1663-L1667 WeakPolarHBondContact O-CA 3.34Å; R1663-L1667 WeakPolarHBondContact O-CB 3.45Å; R1663-L1667 WeakPolarHBondContact O-CD1 3.46Å; R1663-L1667 WeakPolarHBondContact O-CG 3.34Å; R1663-L1667 PolarHBondContact O-N 2.96Å |
| 1664 | A | 67 | Low | 68.5 | Low | 65 Ų | 65 | 102.2 Ų | 102.2 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.3 | -37 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A1660 E1661 A1668 | A1660-A1664 VanDerWaalsContact O-CB 3.28Å; A1660-A1664 WeakPolarHBondContact O-CB 3.1Å; A1660-A1664 PolarHBondContact O-N 2.85Å; E1661-A1664 PolarHBondContact O-N 2.96Å; A1664-A1668 WeakPolarHBondContact O-CB 3.22Å; A1664-A1668 PolarHBondContact O-N 3.41Å |
| 1665 | T | 70.6 | Confident | 67.9 | Low | 104 Ų | 104 | 102.1 Ų | 102.1 | 64% | 0.638 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -77.6 | -38.6 | 173.3 | 35.4 | 0 | 0 | 0 | 0 | 113.3 | E1661 R1662 R1663 | E1661-T1665 PolarHBondContact O-N 3.28Å; E1661-T1665 VanDerWaalsContact O-N 3.13Å; E1661-T1665 PolarHBondContact O-OG1 2.55Å; R1662-T1665 WeakPolarHBondContact CA-OG1 3.08Å; R1662-T1665 PolarHBondContact O-N 3.16Å; R1662-T1665 PolarHBondContact O-OG1 3.17Å; R1662-T1665 VanDerWaalsContact O-OG1 3.05Å; R1663-T1665 VanDerWaalsContact C-N 3.31Å |
| 1666 | V | 68.3 | Low | 67.5 | Low | 71 Ų | 71 | 102 Ų | 102 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.5 | -45.3 | 177.2 | 169.4 | 0 | 0 | 0 | 0 | 111.8 | R1662 A1668 G1669 E1670 | R1662-V1666 VanDerWaalsContact O-CB 3.25Å; R1662-V1666 WeakPolarHBondContact O-CB 3.41Å; R1662-V1666 VanDerWaalsContact O-CG2 3.23Å; R1662-V1666 WeakPolarHBondContact O-CG2 3.4Å; R1662-V1666 PolarHBondContact O-N 3.11Å; V1666-A1668 PolarHBondContact O-N 2.8Å; V1666-G1669 CarbonylContact O-C 3.4Å; V1666-G1669 WeakPolarHBondContact O-CA 3.32Å; V1666-G1669 PolarHBondContact O-N 3.36Å; V1666-E1670 HydrophobicContact CG1-CG 3.81Å; V1666-E1670 PolarHBondContact O-N 2.68Å |
| 1667 | L | 63.6 | Low | 66.9 | Low | 85 Ų | 85 | 98.9 Ų | 98.9 | 45% | 0.445 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -27 | 174 | -70 | 166.8 | 0 | 0 | 0 | 112.1 | R1663 G1669 L1671 | R1663-L1667 HydrophobicContact CB-CD1 4.15Å; R1663-L1667 HydrophobicContact CB-CG 4.4Å; R1663-L1667 WeakPolarHBondContact O-CA 3.34Å; R1663-L1667 WeakPolarHBondContact O-CB 3.45Å; R1663-L1667 WeakPolarHBondContact O-CD1 3.46Å; R1663-L1667 WeakPolarHBondContact O-CG 3.34Å; R1663-L1667 PolarHBondContact O-N 2.96Å; L1667-G1669 PolarHBondContact O-N 2.9Å; L1667-L1671 VanDerWaalsContact O-CB 3.3Å; L1667-L1671 WeakPolarHBondContact O-CB 3.26Å; L1667-L1671 PolarHBondContact O-N 3.46Å |
| 1668 | A | 69.5 | Low | 65.8 | Low | 69 Ų | 69 | 97.6 Ų | 97.6 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.1 | -24.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1664 V1666 | A1664-A1668 WeakPolarHBondContact O-CB 3.22Å; A1664-A1668 PolarHBondContact O-N 3.41Å; V1666-A1668 PolarHBondContact O-N 2.8Å |
| 1669 | G | 68.8 | Low | 65.3 | Low | 39 Ų | 39 | 99 Ų | 99 | 40% | 0.402 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -90.1 | -47.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113 | V1666 L1667 L1671 D1672 E1673 | V1666-G1669 CarbonylContact O-C 3.4Å; V1666-G1669 WeakPolarHBondContact O-CA 3.32Å; V1666-G1669 PolarHBondContact O-N 3.36Å; L1667-G1669 PolarHBondContact O-N 2.9Å; G1669-L1671 PolarHBondContact O-N 2.91Å; G1669-L1671 VanDerWaalsContact O-N 3.16Å; G1669-D1672 PolarHBondContact O-N 3.48Å; G1669-E1673 PolarHBondContact O-N 2.86Å |
| 1670 | E | 60.3 | Low | 64.8 | Low | 84 Ų | 84 | 105 Ų | 105 | 39% | 0.393 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.7 | -23.8 | 177.7 | -68.3 | -178.2 | 161.8 | 0 | 0 | 112.3 | V1666 D1672 E1673 L1674 | V1666-E1670 HydrophobicContact CG1-CG 3.81Å; V1666-E1670 PolarHBondContact O-N 2.68Å; E1670-D1672 PolarHBondContact O-N 2.95Å; E1670-E1673 PolarHBondContact O-N 2.86Å; E1670-L1674 HydrophobicContact CB-CD1 4.04Å; E1670-L1674 HydrophobicContact CB-CG 4.31Å; E1670-L1674 WeakPolarHBondContact O-CA 3.43Å; E1670-L1674 WeakPolarHBondContact O-CB 3.24Å; E1670-L1674 WeakPolarHBondContact O-CG 3.41Å; E1670-L1674 PolarHBondContact O-N 3.05Å |
| 1671 | L | 58.2 | Low | 64 | Low | 103 Ų | 103 | 104.9 Ų | 104.9 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.3 | -32.3 | 173.2 | -124 | 161.7 | 0 | 0 | 0 | 112.5 | L1667 G1669 R1675 | L1667-L1671 VanDerWaalsContact O-CB 3.3Å; L1667-L1671 WeakPolarHBondContact O-CB 3.26Å; L1667-L1671 PolarHBondContact O-N 3.46Å; G1669-L1671 PolarHBondContact O-N 2.91Å; G1669-L1671 VanDerWaalsContact O-N 3.16Å; L1671-R1675 WeakPolarHBondContact O-CD 3.36Å; L1671-R1675 WeakPolarHBondContact O-CG 3.15Å |
| 1672 | D | 62.7 | Low | 63.5 | Low | 99 Ų | 99 | 103.1 Ų | 103.1 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -85.3 | -26.3 | 176.5 | -81.9 | -21.3 | 0 | 0 | 0 | 112.8 | G1669 E1670 R1675 | G1669-D1672 PolarHBondContact O-N 3.48Å; E1670-D1672 PolarHBondContact O-N 2.95Å; D1672-R1675 IonicContact OD1-CZ 3.19Å; D1672-R1675 IonicContact OD1-NH1 2.77Å; D1672-R1675 PolarHBondContact OD1-NH1 2.91Å |
| 1673 | E | 61.4 | Low | 63.1 | Low | 146 Ų | 146 | 104.8 Ų | 104.8 | 68% | 0.682 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -81.7 | -43 | 172.6 | -63.5 | -162.7 | 155.2 | 0 | 0 | 113.4 | G1669 E1670 R1675 I1676 A1677 | G1669-E1673 PolarHBondContact O-N 2.86Å; E1670-E1673 PolarHBondContact O-N 2.86Å; E1673-R1675 PolarHBondContact O-N 2.69Å; E1673-I1676 WeakPolarHBondContact O-CA 3.27Å; E1673-I1676 WeakPolarHBondContact O-CB 3.3Å; E1673-I1676 PolarHBondContact O-N 2.99Å; E1673-A1677 PolarHBondContact O-N 3.43Å |
| 1674 | L | 55.9 | Low | 62.6 | Low | 99 Ų | 99 | 100.9 Ų | 100.9 | 52% | 0.518 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63 | -27.8 | 177.5 | -72.1 | 169.1 | 0 | 0 | 0 | 112.2 | E1670 I1676 A1677 L1678 | E1670-L1674 HydrophobicContact CB-CD1 4.04Å; E1670-L1674 HydrophobicContact CB-CG 4.31Å; E1670-L1674 WeakPolarHBondContact O-CA 3.43Å; E1670-L1674 WeakPolarHBondContact O-CB 3.24Å; E1670-L1674 WeakPolarHBondContact O-CG 3.41Å; E1670-L1674 PolarHBondContact O-N 3.05Å; L1674-I1676 PolarHBondContact O-N 2.91Å; L1674-A1677 PolarHBondContact O-N 3.42Å; L1674-L1678 VanDerWaalsContact O-CB 3.28Å; L1674-L1678 WeakPolarHBondContact O-CB 3.43Å; L1674-L1678 PolarHBondContact O-N 2.94Å |
| 1675 | R | 65 | Low | 62.4 | Low | 162 Ų | 162 | 103.8 Ų | 103.8 | 61% | 0.611 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -56.7 | -28.9 | 169.1 | -86.2 | 169 | 173.6 | 167.4 | -3.8 | 113 | L1671 D1672 E1673 | L1671-R1675 WeakPolarHBondContact O-CD 3.36Å; L1671-R1675 WeakPolarHBondContact O-CG 3.15Å; D1672-R1675 IonicContact OD1-CZ 3.19Å; D1672-R1675 IonicContact OD1-NH1 2.77Å; D1672-R1675 PolarHBondContact OD1-NH1 2.91Å; E1673-R1675 PolarHBondContact O-N 2.69Å |
| 1676 | I | 64.6 | Low | 62.3 | Low | 137 Ų | 137 | 105.2 Ų | 105.2 | 70% | 0.703 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -86.3 | -34.2 | 178.3 | -52.9 | 175.8 | 0 | 0 | 0 | 110.6 | E1673 L1674 | E1673-I1676 WeakPolarHBondContact O-CA 3.27Å; E1673-I1676 WeakPolarHBondContact O-CB 3.3Å; E1673-I1676 PolarHBondContact O-N 2.99Å; L1674-I1676 PolarHBondContact O-N 2.91Å |
| 1677 | A | 59.9 | Low | 62.3 | Low | 53 Ų | 53 | 108.1 Ų | 108.1 | 44% | 0.438 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -77 | -32.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1673 L1674 D1679 Q1680 A1681 | E1673-A1677 PolarHBondContact O-N 3.43Å; L1674-A1677 PolarHBondContact O-N 3.42Å; A1677-D1679 VanDerWaalsContact C-N 3.27Å; A1677-D1679 PolarHBondContact O-N 2.95Å; A1677-Q1680 PolarHBondContact O-N 3Å; A1677-Q1680 VanDerWaalsContact O-N 3.17Å; A1677-A1681 PolarHBondContact O-N 2.9Å |
| 1678 | L | 53.9 | Low | 62.1 | Low | 109 Ų | 109 | 107.3 Ų | 107.3 | 57% | 0.571 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -54.4 | -41 | -176.1 | 179.4 | 62.4 | 0 | 0 | 0 | 112.9 | L1674 Q1680 A1681 E1682 | L1674-L1678 VanDerWaalsContact O-CB 3.28Å; L1674-L1678 WeakPolarHBondContact O-CB 3.43Å; L1674-L1678 PolarHBondContact O-N 2.94Å; L1678-Q1680 PolarHBondContact O-N 3Å; L1678-A1681 PolarHBondContact O-N 2.8Å; L1678-A1681 VanDerWaalsContact O-N 3.17Å; L1678-E1682 HydrophobicContact CD1-CG 4.34Å; L1678-E1682 PolarHBondContact O-N 3.28Å |
| 1679 | D | 63.9 | Low | 61.7 | Low | 119 Ų | 119 | 108.5 Ų | 108.5 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66 | -18.1 | -175.4 | -155.7 | 49.6 | 0 | 0 | 0 | 113.5 | A1677 | A1677-D1679 VanDerWaalsContact C-N 3.27Å; A1677-D1679 PolarHBondContact O-N 2.95Å |
| 1680 | Q | 63.2 | Low | 61.8 | Low | 162 Ų | 162 | 109.8 Ų | 109.8 | 76% | 0.757 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -91.1 | -40.9 | 171.8 | -64.6 | -169.9 | -6.2 | 0 | 0 | 112.6 | A1677 L1678 E1682 | A1677-Q1680 PolarHBondContact O-N 3Å; A1677-Q1680 VanDerWaalsContact O-N 3.17Å; L1678-Q1680 PolarHBondContact O-N 3Å; Q1680-E1682 PolarHBondContact O-N 3.08Å |
| 1681 | A | 55.8 | Low | 61.9 | Low | 55 Ų | 55 | 113.4 Ų | 113.4 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.3 | -27.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1677 L1678 R1683 S1684 | A1677-A1681 PolarHBondContact O-N 2.9Å; L1678-A1681 PolarHBondContact O-N 2.8Å; L1678-A1681 VanDerWaalsContact O-N 3.17Å; A1681-R1683 PolarHBondContact O-N 3.48Å; A1681-R1683 VanDerWaalsContact O-N 3.11Å; A1681-S1684 PolarHBondContact O-N 2.94Å; A1681-S1684 PolarHBondContact O-OG 3.43Å |
| 1682 | E | 60.3 | Low | 62 | Low | 79 Ų | 79 | 118.3 Ų | 118.3 | 37% | 0.369 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -54.6 | -28.7 | 178.8 | -83.8 | -117.9 | 111.4 | 0 | 0 | 114.3 | L1678 Q1680 R1685 | L1678-E1682 HydrophobicContact CD1-CG 4.34Å; L1678-E1682 PolarHBondContact O-N 3.28Å; Q1680-E1682 PolarHBondContact O-N 3.08Å; E1682-R1685 IonicContact OE1-NH2 3.52Å; E1682-R1685 PolarHBondContact OE1-NH2 2.86Å |
| 1683 | R | 64.1 | Low | 62.4 | Low | 193 Ų | 193 | 116.2 Ų | 116.2 | 73% | 0.728 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -77.6 | -37.7 | -173.6 | -58.6 | -175.1 | -169.8 | -165.5 | 2.3 | 112.9 | A1681 | A1681-R1683 PolarHBondContact O-N 3.48Å; A1681-R1683 VanDerWaalsContact O-N 3.11Å |
| 1684 | S | 58.3 | Low | 62.8 | Low | 85 Ų | 85 | 115 Ų | 115 | 59% | 0.594 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72 | -33.4 | 177.3 | 28.8 | 0 | 0 | 0 | 0 | 113 | A1681 K1686 I1687 | A1681-S1684 PolarHBondContact O-N 2.94Å; A1681-S1684 PolarHBondContact O-OG 3.43Å; S1684-K1686 VanDerWaalsContact C-N 3.33Å; S1684-K1686 PolarHBondContact O-N 3.4Å; S1684-I1687 PolarHBondContact O-N 3.43Å |
| 1685 | R | 63.2 | Low | 63.1 | Low | 126 Ų | 126 | 113.2 Ų | 113.2 | 48% | 0.475 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -57.7 | -42 | -177.6 | -177.8 | 169.2 | 65.4 | 94.9 | -8.7 | 113.1 | E1682 I1687 A1688 E1689 | E1682-R1685 IonicContact OE1-NH2 3.52Å; E1682-R1685 PolarHBondContact OE1-NH2 2.86Å; R1685-I1687 VanDerWaalsContact C-N 3.26Å; R1685-I1687 PolarHBondContact O-N 3.09Å; R1685-I1687 VanDerWaalsContact O-N 3.16Å; R1685-A1688 PolarHBondContact O-N 3.22Å; R1685-E1689 HydrophobicContact CG-CG 4.33Å; R1685-E1689 WeakPolarHBondContact CG-OE1 3.24Å; R1685-E1689 IonicContact CZ-OE1 3.94Å; R1685-E1689 IonicContact NE-OE1 2.82Å; R1685-E1689 IonicContact NH1-OE1 3.39Å; R1685-E1689 PolarHBondContact NH1-OE1 3.31Å; R1685-E1689 IonicContact NH1-OE2 3.54Å; R1685-E1689 WeakPolarHBondContact O-CG 3.26Å; R1685-E1689 PolarHBondContact O-N 3.44Å |
| 1686 | K | 67.8 | Low | 63.4 | Low | 135 Ų | 135 | 108.7 Ų | 108.7 | 59% | 0.587 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.9 | -16.9 | -172.3 | -73.1 | -180 | 177.6 | 170.2 | 0 | 115.9 | S1684 | S1684-K1686 VanDerWaalsContact C-N 3.33Å; S1684-K1686 PolarHBondContact O-N 3.4Å |
| 1687 | I | 68.5 | Low | 63.8 | Low | 131 Ų | 131 | 107.7 Ų | 107.7 | 67% | 0.672 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -86.9 | -46.3 | -179.4 | -60.1 | 178.7 | 0 | 0 | 0 | 110.3 | S1684 R1685 E1689 A1690 | S1684-I1687 PolarHBondContact O-N 3.43Å; R1685-I1687 VanDerWaalsContact C-N 3.26Å; R1685-I1687 PolarHBondContact O-N 3.09Å; R1685-I1687 VanDerWaalsContact O-N 3.16Å; I1687-E1689 PolarHBondContact O-N 3.25Å; I1687-A1690 PolarHBondContact O-N 3.42Å |
| 1688 | A | 58.1 | Low | 64.2 | Low | 68 Ų | 68 | 112.8 Ų | 112.8 | 56% | 0.562 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.6 | -22.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1685 A1690 | R1685-A1688 PolarHBondContact O-N 3.22Å; A1688-A1690 VanDerWaalsContact C-N 3.25Å; A1688-A1690 PolarHBondContact O-N 2.83Å |
| 1689 | E | 62.5 | Low | 64.6 | Low | 95 Ų | 95 | 110.4 Ų | 110.4 | 44% | 0.444 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.7 | -21.1 | 174.6 | -75.4 | 173.6 | 158.1 | 0 | 0 | 113.4 | R1685 I1687 | R1685-E1689 HydrophobicContact CG-CG 4.33Å; R1685-E1689 WeakPolarHBondContact CG-OE1 3.24Å; R1685-E1689 IonicContact CZ-OE1 3.94Å; R1685-E1689 IonicContact NE-OE1 2.82Å; R1685-E1689 IonicContact NH1-OE1 3.39Å; R1685-E1689 PolarHBondContact NH1-OE1 3.31Å; R1685-E1689 IonicContact NH1-OE2 3.54Å; R1685-E1689 WeakPolarHBondContact O-CG 3.26Å; R1685-E1689 PolarHBondContact O-N 3.44Å; I1687-E1689 PolarHBondContact O-N 3.25Å |
| 1690 | A | 69.7 | Low | 65.1 | Low | 66 Ų | 66 | 108.6 Ų | 108.6 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -78.9 | -51.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1687 A1688 R1692 A1693 | I1687-A1690 PolarHBondContact O-N 3.42Å; A1688-A1690 VanDerWaalsContact C-N 3.25Å; A1688-A1690 PolarHBondContact O-N 2.83Å; A1690-R1692 PolarHBondContact O-N 3.26Å; A1690-A1693 WeakPolarHBondContact O-CB 3.46Å; A1690-A1693 PolarHBondContact O-N 2.88Å; A1690-A1693 VanDerWaalsContact O-N 3.09Å |
| 1691 | E | 63.2 | Low | 65.5 | Low | 160 Ų | 160 | 107.4 Ų | 107.4 | 75% | 0.748 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65 | -28.9 | -177.3 | -62.6 | -177.2 | 150 | 0 | 0 | 112.3 | A1693 | E1691-A1693 PolarHBondContact O-N 3.38Å |
| 1692 | R | 59.5 | Low | 66.1 | Low | 206 Ų | 206 | 110.4 Ų | 110.4 | 78% | 0.777 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.2 | -27.2 | 175 | -174.4 | 175.1 | 176.3 | -177.9 | -0.8 | 113.2 | A1690 S1696 | A1690-R1692 PolarHBondContact O-N 3.26Å; R1692-S1696 PolarHBondContact O-N 3.3Å |
| 1693 | A | 71.1 | Confident | 66.7 | Low | 54 Ų | 54 | 110.2 Ų | 110.2 | 45% | 0.446 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.9 | -53.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1690 E1691 A1695 S1696 D1697 | A1690-A1693 WeakPolarHBondContact O-CB 3.46Å; A1690-A1693 PolarHBondContact O-N 2.88Å; A1690-A1693 VanDerWaalsContact O-N 3.09Å; E1691-A1693 PolarHBondContact O-N 3.38Å; A1693-A1695 PolarHBondContact O-N 3.44Å; A1693-S1696 WeakPolarHBondContact O-CB 3.36Å; A1693-S1696 PolarHBondContact O-N 3.47Å; A1693-D1697 PolarHBondContact O-N 3.11Å |
| 1694 | E | 70.7 | Confident | 67.2 | Low | 121 Ų | 121 | 105.3 Ų | 105.3 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.5 | -31.8 | -179.3 | -71.3 | -159.3 | -174.7 | 0 | 0 | 113.4 | S1696 R1698 | E1694-S1696 VanDerWaalsContact C-N 3.32Å; E1694-R1698 IonicContact OE2-CZ 2.67Å; E1694-R1698 IonicContact OE2-NH1 3.6Å; E1694-R1698 IonicContact OE2-NH2 2.66Å; E1694-R1698 PolarHBondContact OE2-NH2 2.89Å |
| 1695 | A | 61.4 | Low | 67.9 | Low | 61 Ų | 61 | 106.9 Ų | 106.9 | 50% | 0.504 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.6 | -34.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1693 A1699 | A1693-A1695 PolarHBondContact O-N 3.44Å; A1695-A1699 WeakPolarHBondContact O-CB 3.39Å; A1695-A1699 PolarHBondContact O-N 2.94Å; A1695-A1699 VanDerWaalsContact O-N 3.14Å |
| 1696 | S | 71.4 | Confident | 68.2 | Low | 68 Ų | 68 | 104.6 Ų | 104.6 | 48% | 0.476 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.1 | -40.9 | -178.5 | -167.5 | 0 | 0 | 0 | 0 | 112.5 | R1692 A1693 E1694 A1699 T1700 | R1692-S1696 PolarHBondContact O-N 3.3Å; A1693-S1696 WeakPolarHBondContact O-CB 3.36Å; A1693-S1696 PolarHBondContact O-N 3.47Å; E1694-S1696 VanDerWaalsContact C-N 3.32Å; S1696-A1699 PolarHBondContact O-N 3.42Å; S1696-T1700 PolarHBondContact O-N 3Å; S1696-T1700 PolarHBondContact O-OG1 3.31Å |
| 1697 | D | 73 | Confident | 68.4 | Low | 116 Ų | 116 | 101.1 Ų | 101.1 | 62% | 0.62 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.9 | -43.5 | -178.2 | -69.5 | -18.6 | 0 | 0 | 0 | 111.4 | A1693 A1699 T1700 E1701 | A1693-D1697 PolarHBondContact O-N 3.11Å; D1697-A1699 VanDerWaalsContact C-N 3.31Å; D1697-A1699 PolarHBondContact O-N 2.96Å; D1697-T1700 WeakPolarHBondContact O-CA 3.3Å; D1697-T1700 WeakPolarHBondContact O-CB 3.33Å; D1697-T1700 PolarHBondContact O-N 3.4Å; D1697-E1701 PolarHBondContact O-N 3Å |
| 1698 | R | 69.5 | Low | 68.8 | Low | 159 Ų | 159 | 98.1 Ų | 98.1 | 60% | 0.6 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.7 | -36.2 | 173.8 | -66.3 | -173.9 | -168.8 | 119.6 | 18 | 112.4 | E1694 T1700 M1702 | E1694-R1698 IonicContact OE2-CZ 2.67Å; E1694-R1698 IonicContact OE2-NH1 3.6Å; E1694-R1698 IonicContact OE2-NH2 2.66Å; E1694-R1698 PolarHBondContact OE2-NH2 2.89Å; R1698-T1700 PolarHBondContact O-N 3.25Å; R1698-M1702 WeakPolarHBondContact O-CB 3.35Å; R1698-M1702 WeakPolarHBondContact O-CG 3.41Å; R1698-M1702 PolarHBondContact O-N 3.46Å |
| 1699 | A | 61.2 | Low | 69.4 | Low | 59 Ų | 59 | 99.9 Ų | 99.9 | 49% | 0.488 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.6 | -30.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1695 S1696 D1697 S1703 | A1695-A1699 WeakPolarHBondContact O-CB 3.39Å; A1695-A1699 PolarHBondContact O-N 2.94Å; A1695-A1699 VanDerWaalsContact O-N 3.14Å; S1696-A1699 PolarHBondContact O-N 3.42Å; D1697-A1699 VanDerWaalsContact C-N 3.31Å; D1697-A1699 PolarHBondContact O-N 2.96Å; A1699-S1703 WeakPolarHBondContact O-CB 3.47Å; A1699-S1703 PolarHBondContact O-N 3.42Å |
| 1700 | T | 73.6 | Confident | 70 | Confident | 82 Ų | 82 | 97.2 Ų | 97.2 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -78.7 | -39.7 | -179.3 | -53.8 | 0 | 0 | 0 | 0 | 112.5 | S1696 D1697 R1698 S1703 T1704 | S1696-T1700 PolarHBondContact O-N 3Å; S1696-T1700 PolarHBondContact O-OG1 3.31Å; D1697-T1700 WeakPolarHBondContact O-CA 3.3Å; D1697-T1700 WeakPolarHBondContact O-CB 3.33Å; D1697-T1700 PolarHBondContact O-N 3.4Å; R1698-T1700 PolarHBondContact O-N 3.25Å; T1700-S1703 PolarHBondContact O-N 2.86Å; T1700-T1704 PolarHBondContact O-N 2.94Å; T1700-T1704 PolarHBondContact O-OG1 3.44Å |
| 1701 | E | 72.4 | Confident | 70.3 | Confident | 137 Ų | 137 | 97.1 Ų | 97.1 | 64% | 0.64 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.9 | -46.2 | 168.4 | -89.6 | -167.9 | 140.2 | 0 | 0 | 111.9 | D1697 S1703 T1704 Q1705 | D1697-E1701 PolarHBondContact O-N 3Å; E1701-S1703 VanDerWaalsContact C-N 3.28Å; E1701-S1703 PolarHBondContact O-N 3.21Å; E1701-T1704 PolarHBondContact O-N 3.2Å; E1701-T1704 PolarHBondContact O-OG1 3.11Å; E1701-T1704 VanDerWaalsContact O-OG1 3.07Å; E1701-Q1705 PolarHBondContact O-N 3.06Å |
| 1702 | M | 67.9 | Low | 70.7 | Confident | 117 Ų | 117 | 95.1 Ų | 95.1 | 58% | 0.576 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.9 | -38.5 | 175 | -75.9 | -65.7 | -65.4 | 0 | 0 | 111.7 | R1698 T1706 | R1698-M1702 WeakPolarHBondContact O-CB 3.35Å; R1698-M1702 WeakPolarHBondContact O-CG 3.41Å; R1698-M1702 PolarHBondContact O-N 3.46Å; M1702-T1706 WeakPolarHBondContact O-CB 3.36Å; M1702-T1706 PolarHBondContact O-N 3.39Å; M1702-T1706 PolarHBondContact O-OG1 3.26Å |
| 1703 | S | 74 | Confident | 71.4 | Confident | 75 Ų | 75 | 91 Ų | 91 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 176.8 | -177.4 | 0 | 0 | 0 | 0 | 112.4 | A1699 T1700 E1701 T1706 A1707 | A1699-S1703 WeakPolarHBondContact O-CB 3.47Å; A1699-S1703 PolarHBondContact O-N 3.42Å; T1700-S1703 PolarHBondContact O-N 2.86Å; E1701-S1703 VanDerWaalsContact C-N 3.28Å; E1701-S1703 PolarHBondContact O-N 3.21Å; S1703-T1706 CarbonylContact O-C 3.44Å; S1703-T1706 PolarHBondContact O-N 3.03Å; S1703-A1707 WeakPolarHBondContact O-CB 3.48Å; S1703-A1707 PolarHBondContact O-N 3.01Å |
| 1704 | T | 74.4 | Confident | 71.5 | Confident | 90 Ų | 90 | 97.6 Ų | 97.6 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.7 | -38.5 | 178.4 | 42.4 | 0 | 0 | 0 | 0 | 112.9 | T1700 E1701 A1707 S1708 | T1700-T1704 PolarHBondContact O-N 2.94Å; T1700-T1704 PolarHBondContact O-OG1 3.44Å; E1701-T1704 PolarHBondContact O-N 3.2Å; E1701-T1704 PolarHBondContact O-OG1 3.11Å; E1701-T1704 VanDerWaalsContact O-OG1 3.07Å; T1704-A1707 PolarHBondContact O-N 2.89Å; T1704-S1708 PolarHBondContact O-N 3.28Å |
| 1705 | Q | 72.9 | Confident | 71.8 | Confident | 118 Ų | 118 | 98.3 Ų | 98.3 | 55% | 0.551 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.7 | -42.5 | 168.9 | -69.8 | -168.5 | 11.5 | 0 | 0 | 111.6 | E1701 A1707 S1708 L1709 | E1701-Q1705 PolarHBondContact O-N 3.06Å; Q1705-A1707 VanDerWaalsContact C-N 3.32Å; Q1705-A1707 PolarHBondContact O-N 3.44Å; Q1705-S1708 PolarHBondContact O-N 3.05Å; Q1705-L1709 WeakPolarHBondContact O-CB 3.19Å; Q1705-L1709 WeakPolarHBondContact O-CG 2.85Å; Q1705-L1709 PolarHBondContact O-N 3.48Å |
| 1706 | T | 69 | Low | 72.3 | Confident | 79 Ų | 79 | 100.9 Ų | 100.9 | 49% | 0.485 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -33.5 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | M1702 S1703 A1710 | M1702-T1706 WeakPolarHBondContact O-CB 3.36Å; M1702-T1706 PolarHBondContact O-N 3.39Å; M1702-T1706 PolarHBondContact O-OG1 3.26Å; S1703-T1706 CarbonylContact O-C 3.44Å; S1703-T1706 PolarHBondContact O-N 3.03Å; T1706-A1710 WeakPolarHBondContact O-CA 3.06Å; T1706-A1710 WeakPolarHBondContact O-CB 3.35Å; T1706-A1710 PolarHBondContact O-N 3.46Å |
| 1707 | A | 73.3 | Confident | 72.4 | Confident | 61 Ų | 61 | 102.2 Ų | 102.2 | 50% | 0.504 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.8 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1703 T1704 Q1705 A1710 A1711 | S1703-A1707 WeakPolarHBondContact O-CB 3.48Å; S1703-A1707 PolarHBondContact O-N 3.01Å; T1704-A1707 PolarHBondContact O-N 2.89Å; Q1705-A1707 VanDerWaalsContact C-N 3.32Å; Q1705-A1707 PolarHBondContact O-N 3.44Å; A1707-A1710 PolarHBondContact O-N 3.1Å; A1707-A1711 WeakPolarHBondContact O-CB 3.32Å; A1707-A1711 PolarHBondContact O-N 3.39Å |
| 1708 | S | 76.1 | Confident | 72.5 | Confident | 69 Ų | 69 | 99.5 Ų | 99.5 | 48% | 0.483 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -48.2 | 173.6 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | T1704 Q1705 A1710 A1711 Q1712 | T1704-S1708 PolarHBondContact O-N 3.28Å; Q1705-S1708 PolarHBondContact O-N 3.05Å; S1708-A1710 VanDerWaalsContact C-N 3.3Å; S1708-A1710 PolarHBondContact O-N 2.93Å; S1708-A1711 PolarHBondContact O-N 2.86Å; S1708-Q1712 PolarHBondContact O-N 2.77Å |
| 1709 | L | 70.2 | Confident | 72.8 | Confident | 105 Ų | 105 | 95.3 Ų | 95.3 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -32.2 | 173.8 | -74.4 | 168.1 | 0 | 0 | 0 | 112.1 | Q1705 K1713 | Q1705-L1709 WeakPolarHBondContact O-CB 3.19Å; Q1705-L1709 WeakPolarHBondContact O-CG 2.85Å; Q1705-L1709 PolarHBondContact O-N 3.48Å; L1709-K1713 WeakPolarHBondContact O-CA 3.43Å; L1709-K1713 WeakPolarHBondContact O-CB 3.39Å; L1709-K1713 PolarHBondContact O-N 3.16Å |
| 1710 | A | 74.6 | Confident | 73.2 | Confident | 39 Ų | 39 | 97.1 Ų | 97.1 | 32% | 0.322 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -74.1 | -31 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1706 A1707 S1708 R1714 | T1706-A1710 WeakPolarHBondContact O-CA 3.06Å; T1706-A1710 WeakPolarHBondContact O-CB 3.35Å; T1706-A1710 PolarHBondContact O-N 3.46Å; A1707-A1710 PolarHBondContact O-N 3.1Å; S1708-A1710 VanDerWaalsContact C-N 3.3Å; S1708-A1710 PolarHBondContact O-N 2.93Å; A1710-R1714 VanDerWaalsContact O-CB 3.3Å; A1710-R1714 WeakPolarHBondContact O-CB 3.49Å; A1710-R1714 WeakPolarHBondContact O-CG 3.36Å; A1710-R1714 PolarHBondContact O-N 3.09Å |
| 1711 | A | 76.1 | Confident | 73.3 | Confident | 63 Ų | 63 | 95.8 Ų | 95.8 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.2 | -45.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1707 S1708 R1714 K1715 | A1707-A1711 WeakPolarHBondContact O-CB 3.32Å; A1707-A1711 PolarHBondContact O-N 3.39Å; S1708-A1711 PolarHBondContact O-N 2.86Å; A1711-R1714 PolarHBondContact O-N 3.16Å; A1711-K1715 PolarHBondContact O-N 3.4Å |
| 1712 | Q | 73.5 | Confident | 73.3 | Confident | 118 Ų | 118 | 91.7 Ų | 91.7 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | 172 | -73.1 | -170.8 | -13.6 | 0 | 0 | 111.6 | S1708 K1715 L1716 | S1708-Q1712 PolarHBondContact O-N 2.77Å; Q1712-K1715 PolarHBondContact O-N 3.03Å; Q1712-L1716 VanDerWaalsContact O-CB 3.31Å; Q1712-L1716 WeakPolarHBondContact O-CB 3.38Å; Q1712-L1716 VanDerWaalsContact O-CG 3.29Å; Q1712-L1716 WeakPolarHBondContact O-CG 3.45Å; Q1712-L1716 PolarHBondContact O-N 2.81Å |
| 1713 | K | 72.8 | Confident | 73.5 | Confident | 120 Ų | 120 | 92.1 Ų | 92.1 | 52% | 0.522 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 174.8 | 177.1 | -179.9 | 165.1 | 176.8 | 0 | 111.2 | L1709 K1715 L1716 E1717 | L1709-K1713 WeakPolarHBondContact O-CA 3.43Å; L1709-K1713 WeakPolarHBondContact O-CB 3.39Å; L1709-K1713 PolarHBondContact O-N 3.16Å; K1713-K1715 VanDerWaalsContact C-N 3.33Å; K1713-K1715 PolarHBondContact O-N 3.05Å; K1713-L1716 CarbonylContact O-C 3.59Å; K1713-L1716 PolarHBondContact O-N 3.29Å; K1713-E1717 WeakPolarHBondContact CE-OE1 3.33Å; K1713-E1717 WeakPolarHBondContact CE-OE2 3.38Å; K1713-E1717 HydrophobicContact CG-CG 4.04Å; K1713-E1717 IonicContact NZ-OE1 2.92Å; K1713-E1717 PolarHBondContact NZ-OE1 2.99Å; K1713-E1717 VanDerWaalsContact O-CB 3.25Å; K1713-E1717 WeakPolarHBondContact O-CB 3.35Å; K1713-E1717 VanDerWaalsContact O-CG 3.26Å; K1713-E1717 WeakPolarHBondContact O-CG 3.44Å; K1713-E1717 PolarHBondContact O-N 2.87Å |
| 1714 | R | 74.6 | Confident | 73.5 | Confident | 192 Ų | 192 | 93.7 Ų | 93.7 | 73% | 0.725 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.3 | -37 | 175.3 | -82.7 | -179.1 | 178.6 | 170.6 | 1 | 112.9 | A1710 A1711 A1718 | A1710-R1714 VanDerWaalsContact O-CB 3.3Å; A1710-R1714 WeakPolarHBondContact O-CB 3.49Å; A1710-R1714 WeakPolarHBondContact O-CG 3.36Å; A1710-R1714 PolarHBondContact O-N 3.09Å; A1711-R1714 PolarHBondContact O-N 3.16Å; R1714-A1718 WeakPolarHBondContact O-CB 3.38Å; R1714-A1718 PolarHBondContact O-N 2.82Å |
| 1715 | K | 75.5 | Confident | 73.5 | Confident | 137 Ų | 137 | 92 Ų | 92 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.4 | -46.9 | 173.2 | -163.9 | -167.1 | 173.9 | -153.1 | 0 | 110.7 | A1711 Q1712 K1713 E1717 A1718 D1719 | A1711-K1715 PolarHBondContact O-N 3.4Å; Q1712-K1715 PolarHBondContact O-N 3.03Å; K1713-K1715 VanDerWaalsContact C-N 3.33Å; K1713-K1715 PolarHBondContact O-N 3.05Å; K1715-E1717 VanDerWaalsContact C-N 3.29Å; K1715-E1717 PolarHBondContact O-N 2.64Å; K1715-A1718 PolarHBondContact O-N 3.11Å; K1715-D1719 WeakPolarHBondContact CE-OD2 3.21Å; K1715-D1719 IonicContact NZ-OD2 3.86Å; K1715-D1719 WeakPolarHBondContact O-CB 3.15Å; K1715-D1719 VanDerWaalsContact O-CG 3.26Å; K1715-D1719 PolarHBondContact O-N 3.09Å |
| 1716 | L | 71.6 | Confident | 73.4 | Confident | 114 Ų | 114 | 91.3 Ų | 91.3 | 60% | 0.597 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.8 | -29.8 | 175.9 | -72.7 | 169 | 0 | 0 | 0 | 112.4 | Q1712 K1713 L1720 | Q1712-L1716 VanDerWaalsContact O-CB 3.31Å; Q1712-L1716 WeakPolarHBondContact O-CB 3.38Å; Q1712-L1716 VanDerWaalsContact O-CG 3.29Å; Q1712-L1716 WeakPolarHBondContact O-CG 3.45Å; Q1712-L1716 PolarHBondContact O-N 2.81Å; K1713-L1716 CarbonylContact O-C 3.59Å; K1713-L1716 PolarHBondContact O-N 3.29Å; L1716-L1720 WeakPolarHBondContact O-CA 3.27Å; L1716-L1720 WeakPolarHBondContact O-CB 3.33Å; L1716-L1720 PolarHBondContact O-N 2.71Å |
| 1717 | E | 74.2 | Confident | 73.5 | Confident | 96 Ų | 96 | 93 Ų | 93 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -75.6 | -31.8 | 173.6 | -78.2 | 174.7 | 142.8 | 0 | 0 | 111.1 | K1713 K1715 A1721 | K1713-E1717 WeakPolarHBondContact CE-OE1 3.33Å; K1713-E1717 WeakPolarHBondContact CE-OE2 3.38Å; K1713-E1717 HydrophobicContact CG-CG 4.04Å; K1713-E1717 IonicContact NZ-OE1 2.92Å; K1713-E1717 PolarHBondContact NZ-OE1 2.99Å; K1713-E1717 VanDerWaalsContact O-CB 3.25Å; K1713-E1717 WeakPolarHBondContact O-CB 3.35Å; K1713-E1717 VanDerWaalsContact O-CG 3.26Å; K1713-E1717 WeakPolarHBondContact O-CG 3.44Å; K1713-E1717 PolarHBondContact O-N 2.87Å; K1715-E1717 VanDerWaalsContact C-N 3.29Å; K1715-E1717 PolarHBondContact O-N 2.64Å; E1717-A1721 WeakPolarHBondContact O-CA 3.38Å; E1717-A1721 WeakPolarHBondContact O-CB 3.36Å; E1717-A1721 PolarHBondContact O-N 3.3Å |
| 1718 | A | 75.1 | Confident | 73.5 | Confident | 59 Ų | 59 | 96.7 Ų | 96.7 | 49% | 0.488 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.9 | -46 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1714 K1715 L1720 A1721 A1722 | R1714-A1718 WeakPolarHBondContact O-CB 3.38Å; R1714-A1718 PolarHBondContact O-N 2.82Å; K1715-A1718 PolarHBondContact O-N 3.11Å; A1718-L1720 VanDerWaalsContact C-N 3.32Å; A1718-L1720 PolarHBondContact O-N 2.24Å; A1718-A1721 PolarHBondContact O-N 2.79Å; A1718-A1722 VanDerWaalsContact O-CB 3.26Å; A1718-A1722 WeakPolarHBondContact O-CB 3.25Å; A1718-A1722 PolarHBondContact O-N 2.88Å |
| 1719 | D | 75 | Confident | 73.4 | Confident | 72 Ų | 72 | 100.1 Ų | 100.1 | 39% | 0.385 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.8 | -34.9 | 176 | -66.6 | -17.1 | 0 | 0 | 0 | 110.5 | K1715 M1723 | K1715-D1719 WeakPolarHBondContact CE-OD2 3.21Å; K1715-D1719 IonicContact NZ-OD2 3.86Å; K1715-D1719 WeakPolarHBondContact O-CB 3.15Å; K1715-D1719 VanDerWaalsContact O-CG 3.26Å; K1715-D1719 PolarHBondContact O-N 3.09Å; D1719-M1723 VanDerWaalsContact O-CB 3.23Å; D1719-M1723 WeakPolarHBondContact O-CB 3.47Å; D1719-M1723 WeakPolarHBondContact O-CG 3.32Å; D1719-M1723 PolarHBondContact O-N 2.78Å |
| 1720 | L | 71.2 | Confident | 73.4 | Confident | 97 Ų | 97 | 98 Ų | 98 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -82.3 | -28 | 174.9 | -170.3 | 122 | 0 | 0 | 0 | 112.7 | L1716 A1718 M1723 Q1724 | L1716-L1720 WeakPolarHBondContact O-CA 3.27Å; L1716-L1720 WeakPolarHBondContact O-CB 3.33Å; L1716-L1720 PolarHBondContact O-N 2.71Å; A1718-L1720 VanDerWaalsContact C-N 3.32Å; A1718-L1720 PolarHBondContact O-N 2.24Å; L1720-M1723 CarbonylContact O-C 3.13Å; L1720-Q1724 HydrophobicContact CD2-CG 4.29Å; L1720-Q1724 HydrophobicContact CG-CG 4.34Å; L1720-Q1724 WeakPolarHBondContact O-CA 3.46Å; L1720-Q1724 WeakPolarHBondContact O-CB 3.24Å; L1720-Q1724 WeakPolarHBondContact O-CG 3.27Å; L1720-Q1724 PolarHBondContact O-N 3.31Å; L1720-Q1724 PolarHBondContact O-OE1 3.49Å |
| 1721 | A | 75.8 | Confident | 73.3 | Confident | 54 Ų | 54 | 98.1 Ų | 98.1 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.1 | -36.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E1717 A1718 Q1724 A1725 | E1717-A1721 WeakPolarHBondContact O-CA 3.38Å; E1717-A1721 WeakPolarHBondContact O-CB 3.36Å; E1717-A1721 PolarHBondContact O-N 3.3Å; A1718-A1721 PolarHBondContact O-N 2.79Å; A1721-Q1724 PolarHBondContact O-N 2.83Å; A1721-A1725 WeakPolarHBondContact O-CB 3.18Å; A1721-A1725 PolarHBondContact O-N 2.81Å |
| 1722 | A | 72.4 | Confident | 73.1 | Confident | 50 Ų | 50 | 99.1 Ų | 99.1 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.8 | -49.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A1718 Q1724 A1725 D1726 | A1718-A1722 VanDerWaalsContact O-CB 3.26Å; A1718-A1722 WeakPolarHBondContact O-CB 3.25Å; A1718-A1722 PolarHBondContact O-N 2.88Å; A1722-Q1724 VanDerWaalsContact C-N 3.25Å; A1722-Q1724 PolarHBondContact O-N 3.17Å; A1722-A1725 PolarHBondContact O-N 3.44Å; A1722-D1726 WeakPolarHBondContact O-CB 3.32Å; A1722-D1726 PolarHBondContact O-N 3.12Å |
| 1723 | M | 71.4 | Confident | 73 | Confident | 126 Ų | 126 | 100.2 Ų | 100.2 | 62% | 0.621 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.4 | -20.3 | 173.7 | -76.4 | -169.5 | 170.3 | 0 | 0 | 113.7 | D1719 L1720 L1727 | D1719-M1723 VanDerWaalsContact O-CB 3.23Å; D1719-M1723 WeakPolarHBondContact O-CB 3.47Å; D1719-M1723 WeakPolarHBondContact O-CG 3.32Å; D1719-M1723 PolarHBondContact O-N 2.78Å; L1720-M1723 CarbonylContact O-C 3.13Å; M1723-L1727 WeakPolarHBondContact O-CA 3.37Å; M1723-L1727 WeakPolarHBondContact O-CB 3.37Å; M1723-L1727 WeakPolarHBondContact O-CD1 3.49Å; M1723-L1727 PolarHBondContact O-N 2.76Å |
| 1724 | Q | 73.3 | Confident | 72.8 | Confident | 109 Ų | 109 | 96.9 Ų | 96.9 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -82.2 | -33.4 | 170.6 | -82.9 | 174.6 | -35.8 | 0 | 0 | 111.7 | L1720 A1721 A1722 E1728 | L1720-Q1724 HydrophobicContact CD2-CG 4.29Å; L1720-Q1724 HydrophobicContact CG-CG 4.34Å; L1720-Q1724 WeakPolarHBondContact O-CA 3.46Å; L1720-Q1724 WeakPolarHBondContact O-CB 3.24Å; L1720-Q1724 WeakPolarHBondContact O-CG 3.27Å; L1720-Q1724 PolarHBondContact O-N 3.31Å; L1720-Q1724 PolarHBondContact O-OE1 3.49Å; A1721-Q1724 PolarHBondContact O-N 2.83Å; A1722-Q1724 VanDerWaalsContact C-N 3.25Å; A1722-Q1724 PolarHBondContact O-N 3.17Å; Q1724-E1728 WeakPolarHBondContact O-CA 2.83Å; Q1724-E1728 WeakPolarHBondContact O-CB 3.38Å; Q1724-E1728 VanDerWaalsContact O-CG 3.28Å; Q1724-E1728 WeakPolarHBondContact O-CG 3.32Å; Q1724-E1728 PolarHBondContact O-N 2.97Å |
| 1725 | A | 74.6 | Confident | 72.5 | Confident | 55 Ų | 55 | 93.7 Ų | 93.7 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -47.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A1721 A1722 L1727 E1728 E1729 | A1721-A1725 WeakPolarHBondContact O-CB 3.18Å; A1721-A1725 PolarHBondContact O-N 2.81Å; A1722-A1725 PolarHBondContact O-N 3.44Å; A1725-L1727 PolarHBondContact O-N 2.93Å; A1725-E1728 PolarHBondContact O-N 3.14Å; A1725-E1729 VanDerWaalsContact O-CB 3.32Å; A1725-E1729 WeakPolarHBondContact O-CB 3.34Å; A1725-E1729 PolarHBondContact O-N 3.3Å |
| 1726 | D | 72 | Confident | 72.4 | Confident | 103 Ų | 103 | 92 Ų | 92 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.2 | -35 | 175.6 | -67 | -9.6 | 0 | 0 | 0 | 111.9 | A1722 A1730 | A1722-D1726 WeakPolarHBondContact O-CB 3.32Å; A1722-D1726 PolarHBondContact O-N 3.12Å; D1726-A1730 WeakPolarHBondContact O-CA 3.48Å; D1726-A1730 WeakPolarHBondContact O-CB 3.47Å; D1726-A1730 PolarHBondContact O-N 3.4Å |
| 1727 | L | 70.7 | Confident | 72.3 | Confident | 113 Ų | 113 | 89.4 Ų | 89.4 | 59% | 0.592 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -77 | -30 | 170.9 | -100 | 94.8 | 0 | 0 | 0 | 113.1 | M1723 A1725 A1731 | M1723-L1727 WeakPolarHBondContact O-CA 3.37Å; M1723-L1727 WeakPolarHBondContact O-CB 3.37Å; M1723-L1727 WeakPolarHBondContact O-CD1 3.49Å; M1723-L1727 PolarHBondContact O-N 2.76Å; A1725-L1727 PolarHBondContact O-N 2.93Å; L1727-A1731 WeakPolarHBondContact O-CA 3.49Å; L1727-A1731 WeakPolarHBondContact O-CB 3.1Å; L1727-A1731 PolarHBondContact O-N 2.78Å |
| 1728 | E | 73.2 | Confident | 72 | Confident | 139 Ų | 139 | 88 Ų | 88 | 65% | 0.65 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -77.2 | -34.9 | 175.6 | -77.2 | -168.3 | 159.8 | 0 | 0 | 110.6 | Q1724 A1725 N1732 | Q1724-E1728 WeakPolarHBondContact O-CA 2.83Å; Q1724-E1728 WeakPolarHBondContact O-CB 3.38Å; Q1724-E1728 VanDerWaalsContact O-CG 3.28Å; Q1724-E1728 WeakPolarHBondContact O-CG 3.32Å; Q1724-E1728 PolarHBondContact O-N 2.97Å; A1725-E1728 PolarHBondContact O-N 3.14Å; E1728-N1732 WeakPolarHBondContact O-CA 3.39Å; E1728-N1732 WeakPolarHBondContact O-CB 3.33Å; E1728-N1732 PolarHBondContact O-N 2.62Å; E1728-N1732 PolarHBondContact O-ND2 3.02Å |
| 1729 | E | 73.4 | Confident | 71.5 | Confident | 142 Ų | 142 | 91.3 Ų | 91.3 | 66% | 0.664 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -75.2 | -53.2 | 172.4 | -165.6 | 155.9 | -115.4 | 0 | 0 | 110.2 | A1725 A1731 N1732 E1733 | A1725-E1729 VanDerWaalsContact O-CB 3.32Å; A1725-E1729 WeakPolarHBondContact O-CB 3.34Å; A1725-E1729 PolarHBondContact O-N 3.3Å; E1729-A1731 VanDerWaalsContact C-N 3.3Å; E1729-A1731 PolarHBondContact O-N 3.18Å; E1729-N1732 CarbonylContact O-C 3.56Å; E1729-N1732 PolarHBondContact O-N 2.88Å; E1729-N1732 VanDerWaalsContact O-N 3.1Å; E1729-E1733 WeakPolarHBondContact O-CB 3.21Å; E1729-E1733 PolarHBondContact O-N 2.99Å |
| 1730 | A | 70.7 | Confident | 71.1 | Confident | 61 Ų | 61 | 96 Ų | 96 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71 | -17.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D1726 A1734 | D1726-A1730 WeakPolarHBondContact O-CA 3.48Å; D1726-A1730 WeakPolarHBondContact O-CB 3.47Å; D1726-A1730 PolarHBondContact O-N 3.4Å; A1730-A1734 WeakPolarHBondContact O-CA 3.25Å; A1730-A1734 WeakPolarHBondContact O-CB 3.39Å; A1730-A1734 PolarHBondContact O-N 3.46Å |
| 1731 | A | 71.2 | Confident | 70.9 | Confident | 40 Ų | 40 | 93.2 Ų | 93.2 | 33% | 0.331 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -102.2 | 1.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1727 E1729 K1735 | L1727-A1731 WeakPolarHBondContact O-CA 3.49Å; L1727-A1731 WeakPolarHBondContact O-CB 3.1Å; L1727-A1731 PolarHBondContact O-N 2.78Å; E1729-A1731 VanDerWaalsContact C-N 3.3Å; E1729-A1731 PolarHBondContact O-N 3.18Å; A1731-K1735 WeakPolarHBondContact O-CA 3.46Å; A1731-K1735 WeakPolarHBondContact O-CB 3.08Å; A1731-K1735 WeakPolarHBondContact O-CD 3.3Å; A1731-K1735 WeakPolarHBondContact O-CG 3.42Å; A1731-K1735 PolarHBondContact O-N 2.91Å |
| 1732 | N | 73.2 | Confident | 70.4 | Confident | 84 Ų | 84 | 96.6 Ų | 96.6 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -90.4 | -35.7 | 155.9 | -78.6 | -43.4 | 0 | 0 | 0 | 110.9 | E1728 E1729 Q1736 | E1728-N1732 WeakPolarHBondContact O-CA 3.39Å; E1728-N1732 WeakPolarHBondContact O-CB 3.33Å; E1728-N1732 PolarHBondContact O-N 2.62Å; E1728-N1732 PolarHBondContact O-ND2 3.02Å; E1729-N1732 CarbonylContact O-C 3.56Å; E1729-N1732 PolarHBondContact O-N 2.88Å; E1729-N1732 VanDerWaalsContact O-N 3.1Å; N1732-Q1736 VanDerWaalsContact O-CB 3.27Å; N1732-Q1736 WeakPolarHBondContact O-CB 3.36Å; N1732-Q1736 VanDerWaalsContact O-CG 3.28Å; N1732-Q1736 WeakPolarHBondContact O-CG 3.32Å; N1732-Q1736 PolarHBondContact O-N 2.91Å |
| 1733 | E | 70.2 | Confident | 70 | Confident | 142 Ų | 142 | 101 Ų | 101 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.4 | -47.9 | 166.1 | -72.8 | -145.2 | 133.6 | 0 | 0 | 110.3 | E1729 Q1736 A1737 | E1729-E1733 WeakPolarHBondContact O-CB 3.21Å; E1729-E1733 PolarHBondContact O-N 2.99Å; E1733-Q1736 CarbonylContact O-C 3.58Å; E1733-Q1736 PolarHBondContact O-N 2.86Å; E1733-A1737 WeakPolarHBondContact O-CB 3.47Å; E1733-A1737 PolarHBondContact O-N 2.98Å |
| 1734 | A | 68.8 | Low | 69.8 | Low | 49 Ų | 49 | 98 Ų | 98 | 41% | 0.405 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -38 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1730 Q1736 A1737 D1738 | A1730-A1734 WeakPolarHBondContact O-CA 3.25Å; A1730-A1734 WeakPolarHBondContact O-CB 3.39Å; A1730-A1734 PolarHBondContact O-N 3.46Å; A1734-Q1736 VanDerWaalsContact C-N 3.32Å; A1734-Q1736 PolarHBondContact O-N 3.03Å; A1734-A1737 PolarHBondContact O-N 2.9Å; A1734-D1738 VanDerWaalsContact O-CA 3.3Å; A1734-D1738 WeakPolarHBondContact O-CA 3.34Å; A1734-D1738 WeakPolarHBondContact O-CB 3.14Å; A1734-D1738 PolarHBondContact O-N 3.15Å |
| 1735 | K | 70 | Confident | 69.6 | Low | 126 Ų | 126 | 99.2 Ų | 99.2 | 55% | 0.548 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 169.9 | -88.5 | 174 | -179.8 | 171.9 | 0 | 112.6 | A1731 E1739 | A1731-K1735 WeakPolarHBondContact O-CA 3.46Å; A1731-K1735 WeakPolarHBondContact O-CB 3.08Å; A1731-K1735 WeakPolarHBondContact O-CD 3.3Å; A1731-K1735 WeakPolarHBondContact O-CG 3.42Å; A1731-K1735 PolarHBondContact O-N 2.91Å; K1735-E1739 WeakPolarHBondContact O-CA 3.47Å; K1735-E1739 WeakPolarHBondContact O-CB 3.26Å; K1735-E1739 WeakPolarHBondContact O-CG 3.42Å; K1735-E1739 PolarHBondContact O-N 2.86Å |
| 1736 | Q | 72.2 | Confident | 69.2 | Low | 100 Ų | 100 | 99 Ų | 99 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -76 | -35.4 | 178.4 | -77.7 | -173.2 | 63.2 | 0 | 0 | 112.3 | N1732 E1733 A1734 R1740 | N1732-Q1736 VanDerWaalsContact O-CB 3.27Å; N1732-Q1736 WeakPolarHBondContact O-CB 3.36Å; N1732-Q1736 VanDerWaalsContact O-CG 3.28Å; N1732-Q1736 WeakPolarHBondContact O-CG 3.32Å; N1732-Q1736 PolarHBondContact O-N 2.91Å; E1733-Q1736 CarbonylContact O-C 3.58Å; E1733-Q1736 PolarHBondContact O-N 2.86Å; A1734-Q1736 VanDerWaalsContact C-N 3.32Å; A1734-Q1736 PolarHBondContact O-N 3.03Å; Q1736-R1740 WeakPolarHBondContact O-CB 3.42Å; Q1736-R1740 WeakPolarHBondContact O-CD 3.36Å; Q1736-R1740 WeakPolarHBondContact O-CG 3.46Å; Q1736-R1740 PolarHBondContact O-N 3.18Å |
| 1737 | A | 70.4 | Confident | 68.8 | Low | 60 Ų | 60 | 97.3 Ų | 97.3 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -75.2 | -34.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1733 A1734 A1741 | E1733-A1737 WeakPolarHBondContact O-CB 3.47Å; E1733-A1737 PolarHBondContact O-N 2.98Å; A1734-A1737 PolarHBondContact O-N 2.9Å; A1737-A1741 WeakPolarHBondContact O-CA 3.41Å; A1737-A1741 WeakPolarHBondContact O-CB 3.37Å; A1737-A1741 PolarHBondContact O-N 3.13Å |
| 1738 | D | 66.4 | Low | 68.5 | Low | 68 Ų | 68 | 95.4 Ų | 95.4 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -89.4 | -17.4 | 176.6 | -170.1 | 48.6 | 0 | 0 | 0 | 112 | A1734 K1742 | A1734-D1738 VanDerWaalsContact O-CA 3.3Å; A1734-D1738 WeakPolarHBondContact O-CA 3.34Å; A1734-D1738 WeakPolarHBondContact O-CB 3.14Å; A1734-D1738 PolarHBondContact O-N 3.15Å; D1738-K1742 VanDerWaalsContact CG-CE 3.48Å; D1738-K1742 VanDerWaalsContact O-CA 3.31Å; D1738-K1742 WeakPolarHBondContact O-CA 3.46Å; D1738-K1742 WeakPolarHBondContact O-CB 3.23Å; D1738-K1742 WeakPolarHBondContact O-CD 3.41Å; D1738-K1742 WeakPolarHBondContact O-CG 3.47Å; D1738-K1742 PolarHBondContact O-N 2.9Å; D1738-K1742 WeakPolarHBondContact OD1-CD 3.42Å; D1738-K1742 WeakPolarHBondContact OD1-CE 3.37Å; D1738-K1742 WeakPolarHBondContact OD1-CG 3.39Å; D1738-K1742 IonicContact OD1-NZ 3.17Å; D1738-K1742 PolarHBondContact OD1-NZ 3.36Å; D1738-K1742 WeakPolarHBondContact OD2-CD 3.45Å; D1738-K1742 WeakPolarHBondContact OD2-CE 3.39Å; D1738-K1742 IonicContact OD2-NZ 3.8Å; D1738-K1742 PolarHBondContact OD2-NZ 3.38Å |
| 1739 | E | 65.1 | Low | 68.3 | Low | 128 Ų | 128 | 91.2 Ų | 91.2 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -82.5 | -33.4 | 161.2 | -79 | -174.2 | 174.2 | 0 | 0 | 110.5 | K1735 K1743 | K1735-E1739 WeakPolarHBondContact O-CA 3.47Å; K1735-E1739 WeakPolarHBondContact O-CB 3.26Å; K1735-E1739 WeakPolarHBondContact O-CG 3.42Å; K1735-E1739 PolarHBondContact O-N 2.86Å; E1739-K1743 WeakPolarHBondContact O-CA 3.16Å; E1739-K1743 WeakPolarHBondContact O-CB 3.24Å; E1739-K1743 VanDerWaalsContact O-CG 3.23Å; E1739-K1743 WeakPolarHBondContact O-CG 3.05Å; E1739-K1743 PolarHBondContact O-N 3.11Å |
| 1740 | R | 67.4 | Low | 67.9 | Low | 171 Ų | 171 | 90 Ų | 90 | 65% | 0.645 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -74.2 | -31.2 | 169.8 | -70.5 | 170.9 | -153.4 | -173.6 | 10.9 | 111.7 | Q1736 A1744 | Q1736-R1740 WeakPolarHBondContact O-CB 3.42Å; Q1736-R1740 WeakPolarHBondContact O-CD 3.36Å; Q1736-R1740 WeakPolarHBondContact O-CG 3.46Å; Q1736-R1740 PolarHBondContact O-N 3.18Å; R1740-A1744 WeakPolarHBondContact O-CB 3.22Å; R1740-A1744 PolarHBondContact O-N 3.49Å |
| 1741 | A | 67.4 | Low | 67.5 | Low | 37 Ų | 37 | 90.4 Ų | 90.4 | 31% | 0.306 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -90.6 | -24.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1737 M1745 | A1737-A1741 WeakPolarHBondContact O-CA 3.41Å; A1737-A1741 WeakPolarHBondContact O-CB 3.37Å; A1737-A1741 PolarHBondContact O-N 3.13Å; A1741-M1745 VanDerWaalsContact O-CA 3.3Å; A1741-M1745 WeakPolarHBondContact O-CA 3.29Å; A1741-M1745 WeakPolarHBondContact O-CB 3.48Å; A1741-M1745 WeakPolarHBondContact O-CG 3.3Å; A1741-M1745 PolarHBondContact O-N 2.91Å |
| 1742 | K | 64.5 | Low | 67.3 | Low | 125 Ų | 125 | 95.4 Ų | 95.4 | 54% | 0.543 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -86.2 | -11.9 | 162.3 | -66.2 | 166.4 | 173.3 | 159.3 | 0 | 112.8 | D1738 A1746 | D1738-K1742 VanDerWaalsContact CG-CE 3.48Å; D1738-K1742 VanDerWaalsContact O-CA 3.31Å; D1738-K1742 WeakPolarHBondContact O-CA 3.46Å; D1738-K1742 WeakPolarHBondContact O-CB 3.23Å; D1738-K1742 WeakPolarHBondContact O-CD 3.41Å; D1738-K1742 WeakPolarHBondContact O-CG 3.47Å; D1738-K1742 PolarHBondContact O-N 2.9Å; D1738-K1742 WeakPolarHBondContact OD1-CD 3.42Å; D1738-K1742 WeakPolarHBondContact OD1-CE 3.37Å; D1738-K1742 WeakPolarHBondContact OD1-CG 3.39Å; D1738-K1742 IonicContact OD1-NZ 3.17Å; D1738-K1742 PolarHBondContact OD1-NZ 3.36Å; D1738-K1742 WeakPolarHBondContact OD2-CD 3.45Å; D1738-K1742 WeakPolarHBondContact OD2-CE 3.39Å; D1738-K1742 IonicContact OD2-NZ 3.8Å; D1738-K1742 PolarHBondContact OD2-NZ 3.38Å; K1742-A1746 WeakPolarHBondContact O-CA 3.19Å; K1742-A1746 WeakPolarHBondContact O-CB 3.2Å; K1742-A1746 PolarHBondContact O-N 2.87Å |
| 1743 | K | 64.4 | Low | 66.9 | Low | 142 Ų | 142 | 95 Ų | 95 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.4 | -65.7 | 152.5 | -78.5 | -178.1 | 173.9 | -176.3 | 0 | 108.9 | E1739 M1745 A1746 D1747 | E1739-K1743 WeakPolarHBondContact O-CA 3.16Å; E1739-K1743 WeakPolarHBondContact O-CB 3.24Å; E1739-K1743 VanDerWaalsContact O-CG 3.23Å; E1739-K1743 WeakPolarHBondContact O-CG 3.05Å; E1739-K1743 PolarHBondContact O-N 3.11Å; K1743-M1745 PolarHBondContact O-N 2.85Å; K1743-A1746 CarbonylContact O-C 3.59Å; K1743-A1746 VanDerWaalsContact O-C 3.22Å; K1743-A1746 PolarHBondContact O-N 3Å; K1743-D1747 WeakPolarHBondContact CA-OD2 3.5Å; K1743-D1747 WeakPolarHBondContact CB-OD2 3.45Å; K1743-D1747 WeakPolarHBondContact O-CA 3.43Å; K1743-D1747 WeakPolarHBondContact O-CB 3.37Å; K1743-D1747 PolarHBondContact O-N 2.85Å |
| 1744 | A | 65.9 | Low | 66.5 | Low | 63 Ų | 63 | 92.2 Ų | 92.2 | 52% | 0.521 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -52.9 | -29.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | R1740 S1748 | R1740-A1744 WeakPolarHBondContact O-CB 3.22Å; R1740-A1744 PolarHBondContact O-N 3.49Å; A1744-S1748 WeakPolarHBondContact O-CA 3.43Å; A1744-S1748 WeakPolarHBondContact O-CB 2.99Å; A1744-S1748 PolarHBondContact O-N 3.23Å |
| 1745 | M | 69.1 | Low | 66.1 | Low | 136 Ų | 136 | 93.9 Ų | 93.9 | 67% | 0.67 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -101.1 | -20.6 | 172.1 | -59.3 | -178 | 171.7 | 0 | 0 | 115.2 | A1741 K1743 D1747 A1749 R1750 | A1741-M1745 VanDerWaalsContact O-CA 3.3Å; A1741-M1745 WeakPolarHBondContact O-CA 3.29Å; A1741-M1745 WeakPolarHBondContact O-CB 3.48Å; A1741-M1745 WeakPolarHBondContact O-CG 3.3Å; A1741-M1745 PolarHBondContact O-N 2.91Å; K1743-M1745 PolarHBondContact O-N 2.85Å; M1745-D1747 VanDerWaalsContact C-N 3.33Å; M1745-A1749 CarbonylContact O-C 3.54Å; M1745-A1749 VanDerWaalsContact O-C 3.3Å; M1745-A1749 WeakPolarHBondContact O-CA 3.42Å; M1745-A1749 WeakPolarHBondContact O-CB 3.37Å; M1745-A1749 PolarHBondContact O-N 2.9Å; M1745-R1750 PolarHBondContact O-N 3.15Å |
| 1746 | A | 67.1 | Low | 66.1 | Low | 50 Ų | 50 | 93.9 Ų | 93.9 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -105.2 | 32.9 | 164 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1742 K1743 R1750 | K1742-A1746 WeakPolarHBondContact O-CA 3.19Å; K1742-A1746 WeakPolarHBondContact O-CB 3.2Å; K1742-A1746 PolarHBondContact O-N 2.87Å; K1743-A1746 CarbonylContact O-C 3.59Å; K1743-A1746 VanDerWaalsContact O-C 3.22Å; K1743-A1746 PolarHBondContact O-N 3Å; A1746-R1750 HydrophobicContact CB-CB 4.39Å; A1746-R1750 WeakPolarHBondContact O-CB 3.41Å; A1746-R1750 WeakPolarHBondContact O-CD 3.38Å |
| 1747 | D | 62.7 | Low | 65.9 | Low | 67 Ų | 67 | 94.3 Ų | 94.3 | 36% | 0.358 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -132.6 | -42.8 | 158 | -67.1 | -49.4 | 0 | 0 | 0 | 107.5 | K1743 M1745 R1750 V1751 | K1743-D1747 WeakPolarHBondContact CA-OD2 3.5Å; K1743-D1747 WeakPolarHBondContact CB-OD2 3.45Å; K1743-D1747 WeakPolarHBondContact O-CA 3.43Å; K1743-D1747 WeakPolarHBondContact O-CB 3.37Å; K1743-D1747 PolarHBondContact O-N 2.85Å; M1745-D1747 VanDerWaalsContact C-N 3.33Å; D1747-R1750 IonicContact OD1-NH1 2.71Å; D1747-R1750 PolarHBondContact OD1-NH1 3.48Å; D1747-R1750 VanDerWaalsContact OD1-NH1 3.08Å; D1747-V1751 WeakPolarHBondContact O-CA 3.24Å; D1747-V1751 WeakPolarHBondContact O-CB 3.24Å; D1747-V1751 WeakPolarHBondContact O-CG2 3.43Å; D1747-V1751 PolarHBondContact O-N 3.42Å |
| 1748 | S | 64.3 | Low | 65.3 | Low | 74 Ų | 74 | 97.1 Ų | 97.1 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.7 | -53.2 | 169.8 | -176.3 | 0 | 0 | 0 | 0 | 112 | A1744 R1750 V1751 F1752 | A1744-S1748 WeakPolarHBondContact O-CA 3.43Å; A1744-S1748 WeakPolarHBondContact O-CB 2.99Å; A1744-S1748 PolarHBondContact O-N 3.23Å; S1748-R1750 VanDerWaalsContact C-N 3.35Å; S1748-V1751 CarbonylContact O-C 3.58Å; S1748-V1751 PolarHBondContact O-N 3.01Å; S1748-F1752 WeakPolarHBondContact O-CB 3.46Å; S1748-F1752 PolarHBondContact O-N 3.45Å |
| 1749 | A | 70 | Confident | 65.3 | Low | 51 Ų | 51 | 99.5 Ų | 99.5 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -86.6 | 0.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1745 F1752 E1753 | M1745-A1749 CarbonylContact O-C 3.54Å; M1745-A1749 VanDerWaalsContact O-C 3.3Å; M1745-A1749 WeakPolarHBondContact O-CA 3.42Å; M1745-A1749 WeakPolarHBondContact O-CB 3.37Å; M1745-A1749 PolarHBondContact O-N 2.9Å; A1749-F1752 HydrophobicContact CB-CB 4.38Å; A1749-E1753 WeakPolarHBondContact O-CA 3.36Å; A1749-E1753 WeakPolarHBondContact O-CB 3.42Å; A1749-E1753 PolarHBondContact O-N 2.83Å |
| 1750 | R | 65.5 | Low | 65.5 | Low | 115 Ų | 115 | 97.6 Ų | 97.6 | 43% | 0.434 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -82.7 | -30.6 | 153.3 | -169.8 | -172.1 | 124.4 | -110.7 | -18.7 | 111.3 | M1745 A1746 D1747 S1748 E1753 E1754 | M1745-R1750 PolarHBondContact O-N 3.15Å; A1746-R1750 HydrophobicContact CB-CB 4.39Å; A1746-R1750 WeakPolarHBondContact O-CB 3.41Å; A1746-R1750 WeakPolarHBondContact O-CD 3.38Å; D1747-R1750 IonicContact OD1-NH1 2.71Å; D1747-R1750 PolarHBondContact OD1-NH1 3.48Å; D1747-R1750 VanDerWaalsContact OD1-NH1 3.08Å; S1748-R1750 VanDerWaalsContact C-N 3.35Å; R1750-E1753 CarbonylContact O-C 3.18Å; R1750-E1754 HydrophobicContact CG-CG 4.14Å; R1750-E1754 IonicContact CZ-OE1 2.69Å; R1750-E1754 IonicContact CZ-OE2 2.8Å; R1750-E1754 IonicContact NE-OE1 3.1Å; R1750-E1754 PolarHBondContact NE-OE1 2.79Å; R1750-E1754 IonicContact NE-OE2 3.44Å; R1750-E1754 IonicContact NH2-OE1 3.34Å; R1750-E1754 PolarHBondContact NH2-OE1 3.38Å; R1750-E1754 IonicContact NH2-OE2 2.79Å; R1750-E1754 PolarHBondContact NH2-OE2 2.96Å; R1750-E1754 VanDerWaalsContact O-CA 3.3Å; R1750-E1754 WeakPolarHBondContact O-CA 3.39Å; R1750-E1754 WeakPolarHBondContact O-CB 3.43Å; R1750-E1754 WeakPolarHBondContact O-CG 3.25Å; R1750-E1754 PolarHBondContact O-N 3.42Å |
| 1751 | V | 60.5 | Low | 65.5 | Low | 71 Ų | 71 | 95 Ų | 95 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -76.3 | -28.4 | 167.1 | 167.3 | 0 | 0 | 0 | 0 | 111.4 | D1747 S1748 I1755 | D1747-V1751 WeakPolarHBondContact O-CA 3.24Å; D1747-V1751 WeakPolarHBondContact O-CB 3.24Å; D1747-V1751 WeakPolarHBondContact O-CG2 3.43Å; D1747-V1751 PolarHBondContact O-N 3.42Å; S1748-V1751 CarbonylContact O-C 3.58Å; S1748-V1751 PolarHBondContact O-N 3.01Å; V1751-I1755 HydrophobicContact CG1-CD1 3.72Å; V1751-I1755 HydrophobicContact CG1-CG1 4.33Å; V1751-I1755 WeakPolarHBondContact O-CA 3.47Å; V1751-I1755 WeakPolarHBondContact O-CB 3.29Å; V1751-I1755 WeakPolarHBondContact O-CD1 3.43Å; V1751-I1755 WeakPolarHBondContact O-CG1 3.26Å; V1751-I1755 PolarHBondContact O-N 3.42Å |
| 1752 | F | 67.6 | Low | 65.3 | Low | 145 Ų | 145 | 97.2 Ų | 97.2 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -82 | -30.5 | 174.5 | -124.1 | -76.5 | 0 | 0 | 0 | 111.7 | S1748 A1749 R1756 | S1748-F1752 WeakPolarHBondContact O-CB 3.46Å; S1748-F1752 PolarHBondContact O-N 3.45Å; A1749-F1752 HydrophobicContact CB-CB 4.38Å; F1752-R1756 WeakPolarHBondContact O-CA 3.4Å; F1752-R1756 WeakPolarHBondContact O-CB 3.5Å; F1752-R1756 PolarHBondContact O-N 2.91Å |
| 1753 | E | 66.1 | Low | 65.5 | Low | 74 Ų | 74 | 95.8 Ų | 95.8 | 35% | 0.346 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -90.1 | -13 | 170.2 | -165.6 | 67.9 | -171.7 | 0 | 0 | 111.9 | A1749 R1750 Q1757 | A1749-E1753 WeakPolarHBondContact O-CA 3.36Å; A1749-E1753 WeakPolarHBondContact O-CB 3.42Å; A1749-E1753 PolarHBondContact O-N 2.83Å; R1750-E1753 CarbonylContact O-C 3.18Å; E1753-Q1757 HydrophobicContact CG-CG 3.93Å; E1753-Q1757 VanDerWaalsContact CG-NE2 3.32Å; E1753-Q1757 VanDerWaalsContact O-CA 3.28Å; E1753-Q1757 WeakPolarHBondContact O-CA 3.44Å; E1753-Q1757 WeakPolarHBondContact O-CB 3.5Å; E1753-Q1757 WeakPolarHBondContact O-CG 3.16Å; E1753-Q1757 PolarHBondContact O-N 3.05Å; E1753-Q1757 PolarHBondContact OE1-NE2 2.81Å |
| 1754 | E | 60.9 | Low | 65.8 | Low | 84 Ų | 84 | 94.9 Ų | 94.9 | 39% | 0.393 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -81.8 | -39.7 | 160.7 | -78.1 | 166.2 | 172.2 | 0 | 0 | 108.8 | R1750 R1756 E1758 | R1750-E1754 HydrophobicContact CG-CG 4.14Å; R1750-E1754 IonicContact CZ-OE1 2.69Å; R1750-E1754 IonicContact CZ-OE2 2.8Å; R1750-E1754 IonicContact NE-OE1 3.1Å; R1750-E1754 PolarHBondContact NE-OE1 2.79Å; R1750-E1754 IonicContact NE-OE2 3.44Å; R1750-E1754 IonicContact NH2-OE1 3.34Å; R1750-E1754 PolarHBondContact NH2-OE1 3.38Å; R1750-E1754 IonicContact NH2-OE2 2.79Å; R1750-E1754 PolarHBondContact NH2-OE2 2.96Å; R1750-E1754 VanDerWaalsContact O-CA 3.3Å; R1750-E1754 WeakPolarHBondContact O-CA 3.39Å; R1750-E1754 WeakPolarHBondContact O-CB 3.43Å; R1750-E1754 WeakPolarHBondContact O-CG 3.25Å; R1750-E1754 PolarHBondContact O-N 3.42Å; E1754-R1756 VanDerWaalsContact C-N 3.34Å; E1754-E1758 WeakPolarHBondContact O-CA 3.5Å; E1754-E1758 WeakPolarHBondContact O-CB 3.48Å; E1754-E1758 PolarHBondContact O-N 2.8Å |
| 1755 | I | 59.8 | Low | 65.8 | Low | 84 Ų | 84 | 95 Ų | 95 | 43% | 0.431 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.9 | -35 | 170.9 | -72.3 | 167.2 | 0 | 0 | 0 | 110.5 | V1751 Q1759 | V1751-I1755 HydrophobicContact CG1-CD1 3.72Å; V1751-I1755 HydrophobicContact CG1-CG1 4.33Å; V1751-I1755 WeakPolarHBondContact O-CA 3.47Å; V1751-I1755 WeakPolarHBondContact O-CB 3.29Å; V1751-I1755 WeakPolarHBondContact O-CD1 3.43Å; V1751-I1755 WeakPolarHBondContact O-CG1 3.26Å; V1751-I1755 PolarHBondContact O-N 3.42Å; I1755-Q1759 HydrophobicContact CG2-CG 4.47Å; I1755-Q1759 WeakPolarHBondContact O-CB 2.81Å; I1755-Q1759 WeakPolarHBondContact O-CG 3.31Å; I1755-Q1759 PolarHBondContact O-N 3.14Å |
| 1756 | R | 71.2 | Confident | 65.5 | Low | 126 Ų | 126 | 92.7 Ų | 92.7 | 48% | 0.475 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -83.6 | -34 | 176.7 | -174.2 | 178.1 | 174 | -150.9 | -12.5 | 112.7 | F1752 E1754 E1758 E1760 | F1752-R1756 WeakPolarHBondContact O-CA 3.4Å; F1752-R1756 WeakPolarHBondContact O-CB 3.5Å; F1752-R1756 PolarHBondContact O-N 2.91Å; E1754-R1756 VanDerWaalsContact C-N 3.34Å; R1756-E1758 VanDerWaalsContact C-N 3.33Å; R1756-E1760 HydrophobicContact CG-CG 4.13Å; R1756-E1760 IonicContact CZ-OE1 3.85Å; R1756-E1760 IonicContact NE-OE1 3.66Å; R1756-E1760 PolarHBondContact NE-OE1 2.89Å; R1756-E1760 IonicContact NH2-OE1 3.82Å; R1756-E1760 PolarHBondContact NH2-OE1 3.3Å; R1756-E1760 WeakPolarHBondContact O-CA 3.4Å; R1756-E1760 WeakPolarHBondContact O-CB 3.49Å; R1756-E1760 WeakPolarHBondContact O-CG 3.34Å; R1756-E1760 PolarHBondContact O-N 2.97Å |
| 1757 | Q | 68.4 | Low | 65.7 | Low | 109 Ų | 109 | 96 Ų | 96 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -75 | -21.8 | 166.6 | -67.3 | 176 | 14.2 | 0 | 0 | 111.2 | E1753 H1761 | E1753-Q1757 HydrophobicContact CG-CG 3.93Å; E1753-Q1757 VanDerWaalsContact CG-NE2 3.32Å; E1753-Q1757 VanDerWaalsContact O-CA 3.28Å; E1753-Q1757 WeakPolarHBondContact O-CA 3.44Å; E1753-Q1757 WeakPolarHBondContact O-CB 3.5Å; E1753-Q1757 WeakPolarHBondContact O-CG 3.16Å; E1753-Q1757 PolarHBondContact O-N 3.05Å; E1753-Q1757 PolarHBondContact OE1-NE2 2.81Å; Q1757-H1761 WeakPolarHBondContact O-CA 3.37Å; Q1757-H1761 WeakPolarHBondContact O-CB 3.27Å; Q1757-H1761 PolarHBondContact O-N 2.95Å |
| 1758 | E | 57.7 | Low | 66 | Low | 119 Ų | 119 | 94.4 Ų | 94.4 | 56% | 0.556 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -84.7 | -26.5 | 170.1 | -145.1 | 76.6 | 158.6 | 0 | 0 | 111.4 | E1754 R1756 T1762 | E1754-E1758 WeakPolarHBondContact O-CA 3.5Å; E1754-E1758 WeakPolarHBondContact O-CB 3.48Å; E1754-E1758 PolarHBondContact O-N 2.8Å; R1756-E1758 VanDerWaalsContact C-N 3.33Å; E1758-T1762 WeakPolarHBondContact O-CA 3.35Å; E1758-T1762 WeakPolarHBondContact O-CB 3.38Å; E1758-T1762 PolarHBondContact O-N 2.58Å; E1758-T1762 PolarHBondContact O-OG1 2.91Å |
| 1759 | Q | 65.5 | Low | 66 | Low | 118 Ų | 118 | 93.9 Ų | 93.9 | 55% | 0.551 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -76.9 | -38.5 | 168 | -78.5 | -179.5 | 13.6 | 0 | 0 | 112.3 | I1755 Q1763 | I1755-Q1759 HydrophobicContact CG2-CG 4.47Å; I1755-Q1759 WeakPolarHBondContact O-CB 2.81Å; I1755-Q1759 WeakPolarHBondContact O-CG 3.31Å; I1755-Q1759 PolarHBondContact O-N 3.14Å; Q1759-Q1763 WeakPolarHBondContact O-CB 3.34Å; Q1759-Q1763 WeakPolarHBondContact O-CG 3.32Å; Q1759-Q1763 PolarHBondContact O-N 2.88Å |
| 1760 | E | 69.2 | Low | 66 | Low | 89 Ų | 89 | 96.3 Ų | 96.3 | 42% | 0.416 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -77.5 | -36 | 173.6 | -70.7 | -168.5 | -162.9 | 0 | 0 | 110.8 | R1756 Q1763 H1764 | R1756-E1760 HydrophobicContact CG-CG 4.13Å; R1756-E1760 IonicContact CZ-OE1 3.85Å; R1756-E1760 IonicContact NE-OE1 3.66Å; R1756-E1760 PolarHBondContact NE-OE1 2.89Å; R1756-E1760 IonicContact NH2-OE1 3.82Å; R1756-E1760 PolarHBondContact NH2-OE1 3.3Å; R1756-E1760 WeakPolarHBondContact O-CA 3.4Å; R1756-E1760 WeakPolarHBondContact O-CB 3.49Å; R1756-E1760 WeakPolarHBondContact O-CG 3.34Å; R1756-E1760 PolarHBondContact O-N 2.97Å; E1760-Q1763 CarbonylContact O-C 3.58Å; E1760-Q1763 PolarHBondContact O-N 2.84Å; E1760-H1764 VanDerWaalsContact O-CA 3.27Å; E1760-H1764 WeakPolarHBondContact O-CA 3.44Å; E1760-H1764 WeakPolarHBondContact O-CB 3.46Å; E1760-H1764 PolarHBondContact O-N 3.24Å |
| 1761 | H | 68.5 | Low | 66.1 | Low | 115 Ų | 115 | 96.1 Ų | 96.1 | 53% | 0.532 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.1 | -35.5 | 168.9 | -166.6 | 82 | 0 | 0 | 0 | 110.4 | Q1757 H1764 V1765 | Q1757-H1761 WeakPolarHBondContact O-CA 3.37Å; Q1757-H1761 WeakPolarHBondContact O-CB 3.27Å; Q1757-H1761 PolarHBondContact O-N 2.95Å; H1761-H1764 PolarHBondContact O-N 2.81Å; H1761-V1765 WeakPolarHBondContact NE2-CG2 3.49Å; H1761-V1765 WeakPolarHBondContact O-CA 3.2Å; H1761-V1765 WeakPolarHBondContact O-CB 3.21Å; H1761-V1765 WeakPolarHBondContact O-CG2 3.47Å; H1761-V1765 PolarHBondContact O-N 3.49Å |
| 1762 | T | 62.4 | Low | 66.3 | Low | 84 Ų | 84 | 97.3 Ų | 97.3 | 52% | 0.515 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 168.9 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | E1758 E1766 | E1758-T1762 WeakPolarHBondContact O-CA 3.35Å; E1758-T1762 WeakPolarHBondContact O-CB 3.38Å; E1758-T1762 PolarHBondContact O-N 2.58Å; E1758-T1762 PolarHBondContact O-OG1 2.91Å; T1762-E1766 WeakPolarHBondContact O-CA 3.15Å; T1762-E1766 WeakPolarHBondContact O-CB 3.23Å; T1762-E1766 WeakPolarHBondContact O-CG 3.35Å; T1762-E1766 PolarHBondContact O-N 2.94Å |
| 1763 | Q | 68.9 | Low | 66.1 | Low | 96 Ų | 96 | 93.6 Ų | 93.6 | 45% | 0.449 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -72.6 | -26.5 | 175.1 | -78.4 | -175.4 | 43.9 | 0 | 0 | 113.6 | Q1759 E1760 K1767 | Q1759-Q1763 WeakPolarHBondContact O-CB 3.34Å; Q1759-Q1763 WeakPolarHBondContact O-CG 3.32Å; Q1759-Q1763 PolarHBondContact O-N 2.88Å; E1760-Q1763 CarbonylContact O-C 3.58Å; E1760-Q1763 PolarHBondContact O-N 2.84Å; Q1763-K1767 WeakPolarHBondContact O-CB 3.46Å; Q1763-K1767 WeakPolarHBondContact O-CD 3.26Å; Q1763-K1767 WeakPolarHBondContact O-CG 3.44Å; Q1763-K1767 PolarHBondContact O-N 3.11Å |
| 1764 | H | 70.4 | Confident | 66.3 | Low | 122 Ų | 122 | 95.2 Ų | 95.2 | 57% | 0.565 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -99.3 | -18.9 | -175.4 | -157.8 | -33.6 | 0 | 0 | 0 | 111.2 | E1760 H1761 A1768 | E1760-H1764 VanDerWaalsContact O-CA 3.27Å; E1760-H1764 WeakPolarHBondContact O-CA 3.44Å; E1760-H1764 WeakPolarHBondContact O-CB 3.46Å; E1760-H1764 PolarHBondContact O-N 3.24Å; H1761-H1764 PolarHBondContact O-N 2.81Å; H1764-A1768 WeakPolarHBondContact O-CA 3.33Å; H1764-A1768 WeakPolarHBondContact O-CB 3.44Å; H1764-A1768 PolarHBondContact O-N 3.37Å |
| 1765 | V | 66.3 | Low | 66.5 | Low | 66 Ų | 66 | 95.1 Ų | 95.1 | 40% | 0.4 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -79.3 | -36.5 | 156.4 | 174.4 | 0 | 0 | 0 | 0 | 109.1 | H1761 R1769 | H1761-V1765 WeakPolarHBondContact NE2-CG2 3.49Å; H1761-V1765 WeakPolarHBondContact O-CA 3.2Å; H1761-V1765 WeakPolarHBondContact O-CB 3.21Å; H1761-V1765 WeakPolarHBondContact O-CG2 3.47Å; H1761-V1765 PolarHBondContact O-N 3.49Å; V1765-R1769 VanDerWaalsContact O-CA 3.32Å; V1765-R1769 WeakPolarHBondContact O-CA 3.12Å; V1765-R1769 WeakPolarHBondContact O-CB 3.32Å; V1765-R1769 PolarHBondContact O-N 3.43Å |
| 1766 | E | 63.1 | Low | 66.8 | Low | 88 Ų | 88 | 94.6 Ų | 94.6 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 167.5 | -91.9 | -138.1 | 121.4 | 0 | 0 | 111.3 | T1762 K1770 | T1762-E1766 WeakPolarHBondContact O-CA 3.15Å; T1762-E1766 WeakPolarHBondContact O-CB 3.23Å; T1762-E1766 WeakPolarHBondContact O-CG 3.35Å; T1762-E1766 PolarHBondContact O-N 2.94Å; E1766-K1770 VanDerWaalsContact O-CB 3.25Å; E1766-K1770 WeakPolarHBondContact O-CB 3.38Å; E1766-K1770 WeakPolarHBondContact O-CD 3.19Å; E1766-K1770 VanDerWaalsContact O-CG 3.24Å; E1766-K1770 WeakPolarHBondContact O-CG 3.4Å; E1766-K1770 PolarHBondContact O-N 3.32Å; E1766-K1770 IonicContact OE1-NZ 2.7Å; E1766-K1770 PolarHBondContact OE1-NZ 2.9Å; E1766-K1770 IonicContact OE2-NZ 3.17Å; E1766-K1770 PolarHBondContact OE2-NZ 3.44Å |
| 1767 | K | 71.5 | Confident | 66.6 | Low | 120 Ų | 120 | 96 Ų | 96 | 52% | 0.522 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.3 | -45.6 | 176.5 | -75.3 | 161.6 | -173.8 | 158.4 | 0 | 111.2 | Q1763 R1769 K1770 Q1771 | Q1763-K1767 WeakPolarHBondContact O-CB 3.46Å; Q1763-K1767 WeakPolarHBondContact O-CD 3.26Å; Q1763-K1767 WeakPolarHBondContact O-CG 3.44Å; Q1763-K1767 PolarHBondContact O-N 3.11Å; K1767-R1769 VanDerWaalsContact C-N 3.32Å; K1767-R1769 PolarHBondContact O-N 2.93Å; K1767-K1770 PolarHBondContact O-N 2.92Å; K1767-Q1771 WeakPolarHBondContact O-CA 3.43Å; K1767-Q1771 WeakPolarHBondContact O-CB 3.47Å; K1767-Q1771 PolarHBondContact O-N 3.45Å |
| 1768 | A | 67.7 | Low | 66.6 | Low | 32 Ų | 32 | 95.1 Ų | 95.1 | 26% | 0.264 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.5 | -32.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H1764 Q1771 L1772 | H1764-A1768 WeakPolarHBondContact O-CA 3.33Å; H1764-A1768 WeakPolarHBondContact O-CB 3.44Å; H1764-A1768 PolarHBondContact O-N 3.37Å; A1768-Q1771 CarbonylContact O-C 3.58Å; A1768-Q1771 PolarHBondContact O-N 2.86Å; A1768-L1772 WeakPolarHBondContact O-CA 3.25Å; A1768-L1772 WeakPolarHBondContact O-CB 3.14Å; A1768-L1772 WeakPolarHBondContact O-CD1 3.17Å; A1768-L1772 WeakPolarHBondContact O-CG 3.38Å; A1768-L1772 PolarHBondContact O-N 2.89Å |
| 1769 | R | 65.7 | Low | 66.7 | Low | 63 Ų | 63 | 94.3 Ų | 94.3 | 24% | 0.238 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -71.4 | -44.2 | 172.2 | -178.3 | -176.4 | 154.5 | 164.7 | 0.8 | 111.3 | Q1192 V1765 K1767 Q1771 L1772 E1773 | Q1192-R1769 PolarHBondContact O-NH2 3.09Å; V1765-R1769 VanDerWaalsContact O-CA 3.32Å; V1765-R1769 WeakPolarHBondContact O-CA 3.12Å; V1765-R1769 WeakPolarHBondContact O-CB 3.32Å; V1765-R1769 PolarHBondContact O-N 3.43Å; K1767-R1769 VanDerWaalsContact C-N 3.32Å; K1767-R1769 PolarHBondContact O-N 2.93Å; R1769-Q1771 VanDerWaalsContact C-N 3.26Å; R1769-Q1771 PolarHBondContact O-N 3.41Å; R1769-L1772 CarbonylContact O-C 3.55Å; R1769-L1772 PolarHBondContact O-N 3.01Å; R1769-E1773 HydrophobicContact CG-CG 4.35Å; R1769-E1773 IonicContact CZ-OE1 3.48Å; R1769-E1773 IonicContact NE-OE1 3.51Å; R1769-E1773 PolarHBondContact NE-OE1 3.46Å; R1769-E1773 IonicContact NH2-OE1 2.87Å; R1769-E1773 PolarHBondContact NH2-OE1 3.32Å; R1769-E1773 VanDerWaalsContact NH2-OE1 3.11Å; R1769-E1773 VanDerWaalsContact O-CB 3.29Å; R1769-E1773 WeakPolarHBondContact O-CB 3.37Å; R1769-E1773 VanDerWaalsContact O-CG 3.28Å; R1769-E1773 WeakPolarHBondContact O-CG 3.36Å; R1769-E1773 PolarHBondContact O-N 2.9Å |
| 1770 | K | 69.4 | Low | 66.6 | Low | 102 Ų | 102 | 94.8 Ų | 94.8 | 44% | 0.443 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.4 | -37 | 171.8 | -75.3 | 163.4 | -172.6 | 155.7 | 0 | 110.9 | E1766 K1767 I1774 | E1766-K1770 VanDerWaalsContact O-CB 3.25Å; E1766-K1770 WeakPolarHBondContact O-CB 3.38Å; E1766-K1770 WeakPolarHBondContact O-CD 3.19Å; E1766-K1770 VanDerWaalsContact O-CG 3.24Å; E1766-K1770 WeakPolarHBondContact O-CG 3.4Å; E1766-K1770 PolarHBondContact O-N 3.32Å; E1766-K1770 IonicContact OE1-NZ 2.7Å; E1766-K1770 PolarHBondContact OE1-NZ 2.9Å; E1766-K1770 IonicContact OE2-NZ 3.17Å; E1766-K1770 PolarHBondContact OE2-NZ 3.44Å; K1767-K1770 PolarHBondContact O-N 2.92Å; K1770-I1774 WeakPolarHBondContact O-CB 3.27Å; K1770-I1774 WeakPolarHBondContact O-CD1 3.46Å; K1770-I1774 WeakPolarHBondContact O-CG1 3.32Å; K1770-I1774 PolarHBondContact O-N 3.24Å |
| 1771 | Q | 67.7 | Low | 66.4 | Low | 111 Ų | 111 | 93.2 Ų | 93.2 | 52% | 0.519 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -76.7 | -25.7 | 177.1 | -167.4 | 166.5 | 8.1 | 0 | 0 | 112.7 | K1767 A1768 R1769 Q1775 | K1767-Q1771 WeakPolarHBondContact O-CA 3.43Å; K1767-Q1771 WeakPolarHBondContact O-CB 3.47Å; K1767-Q1771 PolarHBondContact O-N 3.45Å; A1768-Q1771 CarbonylContact O-C 3.58Å; A1768-Q1771 PolarHBondContact O-N 2.86Å; R1769-Q1771 VanDerWaalsContact C-N 3.26Å; R1769-Q1771 PolarHBondContact O-N 3.41Å; Q1771-Q1775 WeakPolarHBondContact O-CA 3.39Å; Q1771-Q1775 WeakPolarHBondContact O-CB 3.45Å; Q1771-Q1775 WeakPolarHBondContact O-CG 3.2Å; Q1771-Q1775 PolarHBondContact O-N 2.78Å |
| 1772 | L | 63.2 | Low | 66.1 | Low | 96 Ų | 96 | 94.2 Ų | 94.2 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -83.7 | -32.2 | 170.8 | -77.4 | 165.9 | 0 | 0 | 0 | 111.7 | A1768 R1769 I1774 Q1775 V1776 | A1768-L1772 WeakPolarHBondContact O-CA 3.25Å; A1768-L1772 WeakPolarHBondContact O-CB 3.14Å; A1768-L1772 WeakPolarHBondContact O-CD1 3.17Å; A1768-L1772 WeakPolarHBondContact O-CG 3.38Å; A1768-L1772 PolarHBondContact O-N 2.89Å; R1769-L1772 CarbonylContact O-C 3.55Å; R1769-L1772 PolarHBondContact O-N 3.01Å; L1772-I1774 VanDerWaalsContact C-N 3.3Å; L1772-Q1775 PolarHBondContact O-N 2.83Å; L1772-V1776 WeakPolarHBondContact O-CA 3.35Å; L1772-V1776 WeakPolarHBondContact O-CB 3.44Å; L1772-V1776 WeakPolarHBondContact O-CG2 3.5Å; L1772-V1776 PolarHBondContact O-N 3.44Å |
| 1773 | E | 63.5 | Low | 65.8 | Low | 68 Ų | 68 | 94.8 Ų | 94.8 | 32% | 0.318 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.3 | -35.4 | 168.7 | -75.7 | 175.6 | -164.9 | 0 | 0 | 110.1 | R1769 K1777 | R1769-E1773 HydrophobicContact CG-CG 4.35Å; R1769-E1773 IonicContact CZ-OE1 3.48Å; R1769-E1773 IonicContact NE-OE1 3.51Å; R1769-E1773 PolarHBondContact NE-OE1 3.46Å; R1769-E1773 IonicContact NH2-OE1 2.87Å; R1769-E1773 PolarHBondContact NH2-OE1 3.32Å; R1769-E1773 VanDerWaalsContact NH2-OE1 3.11Å; R1769-E1773 VanDerWaalsContact O-CB 3.29Å; R1769-E1773 WeakPolarHBondContact O-CB 3.37Å; R1769-E1773 VanDerWaalsContact O-CG 3.28Å; R1769-E1773 WeakPolarHBondContact O-CG 3.36Å; R1769-E1773 PolarHBondContact O-N 2.9Å; E1773-K1777 WeakPolarHBondContact O-CB 3.47Å; E1773-K1777 WeakPolarHBondContact O-CG 3.36Å; E1773-K1777 PolarHBondContact O-N 3.27Å |
| 1774 | I | 71.2 | Confident | 65.4 | Low | 108 Ų | 108 | 98 Ų | 98 | 55% | 0.554 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72.7 | -46.5 | 169.9 | -70.7 | 165.5 | 0 | 0 | 0 | 111.1 | K1770 L1772 V1776 K1777 E1778 | K1770-I1774 WeakPolarHBondContact O-CB 3.27Å; K1770-I1774 WeakPolarHBondContact O-CD1 3.46Å; K1770-I1774 WeakPolarHBondContact O-CG1 3.32Å; K1770-I1774 PolarHBondContact O-N 3.24Å; L1772-I1774 VanDerWaalsContact C-N 3.3Å; I1774-V1776 VanDerWaalsContact C-N 3.35Å; I1774-V1776 PolarHBondContact O-N 2.95Å; I1774-K1777 PolarHBondContact O-N 3.47Å; I1774-E1778 PolarHBondContact O-N 2.94Å |
| 1775 | Q | 66.1 | Low | 64.9 | Low | 82 Ų | 82 | 97.9 Ų | 97.9 | 38% | 0.383 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.5 | -29.7 | 178.3 | -80.8 | 175.4 | -2.8 | 0 | 0 | 112.6 | Q1771 L1772 L1779 | Q1771-Q1775 WeakPolarHBondContact O-CA 3.39Å; Q1771-Q1775 WeakPolarHBondContact O-CB 3.45Å; Q1771-Q1775 WeakPolarHBondContact O-CG 3.2Å; Q1771-Q1775 PolarHBondContact O-N 2.78Å; L1772-Q1775 PolarHBondContact O-N 2.83Å; Q1775-L1779 WeakPolarHBondContact O-CA 3.46Å; Q1775-L1779 WeakPolarHBondContact O-CB 3.17Å; Q1775-L1779 WeakPolarHBondContact O-CD1 3.4Å; Q1775-L1779 WeakPolarHBondContact O-CG 3.43Å; Q1775-L1779 PolarHBondContact O-N 3.26Å |
| 1776 | V | 64.8 | Low | 64.4 | Low | 73 Ų | 73 | 97.9 Ų | 97.9 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.1 | -33.9 | 172.5 | 167.8 | 0 | 0 | 0 | 0 | 110.1 | L1772 I1774 L1779 M1780 | L1772-V1776 WeakPolarHBondContact O-CA 3.35Å; L1772-V1776 WeakPolarHBondContact O-CB 3.44Å; L1772-V1776 WeakPolarHBondContact O-CG2 3.5Å; L1772-V1776 PolarHBondContact O-N 3.44Å; I1774-V1776 VanDerWaalsContact C-N 3.35Å; I1774-V1776 PolarHBondContact O-N 2.95Å; V1776-L1779 PolarHBondContact O-N 2.58Å; V1776-M1780 HydrophobicContact CG1-CG 4.47Å; V1776-M1780 HydrophobicContact CG1-SD 4.3Å; V1776-M1780 VanDerWaalsContact O-CB 3.31Å; V1776-M1780 WeakPolarHBondContact O-CB 3.26Å; V1776-M1780 VanDerWaalsContact O-CG 3.27Å; V1776-M1780 WeakPolarHBondContact O-CG 3.17Å; V1776-M1780 PolarHBondContact O-N 3.29Å |
| 1777 | K | 68.2 | Low | 64 | Low | 154 Ų | 154 | 101.1 Ų | 101.1 | 67% | 0.67 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68 | -42.6 | 169.2 | -77.5 | 172 | 179.1 | 167.6 | 0 | 112.5 | E1773 I1774 A1781 | E1773-K1777 WeakPolarHBondContact O-CB 3.47Å; E1773-K1777 WeakPolarHBondContact O-CG 3.36Å; E1773-K1777 PolarHBondContact O-N 3.27Å; I1774-K1777 PolarHBondContact O-N 3.47Å; K1777-A1781 PolarHBondContact O-N 3.42Å; K1777-A1781 VanDerWaalsContact O-N 3.13Å |
| 1778 | E | 68.3 | Low | 63.1 | Low | 91 Ų | 91 | 100.7 Ų | 100.7 | 43% | 0.425 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -36.2 | 171.4 | -75.1 | -150 | 128.9 | 0 | 0 | 112.4 | I1774 R1782 | I1774-E1778 PolarHBondContact O-N 2.94Å; E1778-R1782 VanDerWaalsContact CD-NH2 3.28Å; E1778-R1782 VanDerWaalsContact O-CB 3.24Å; E1778-R1782 WeakPolarHBondContact O-CB 3.41Å; E1778-R1782 VanDerWaalsContact O-CG 3.23Å; E1778-R1782 WeakPolarHBondContact O-CG 3.34Å; E1778-R1782 PolarHBondContact O-N 3Å; E1778-R1782 IonicContact OE1-NH2 2.7Å; E1778-R1782 PolarHBondContact OE1-NH2 3.03Å; E1778-R1782 VanDerWaalsContact OE1-NH2 3.16Å; E1778-R1782 IonicContact OE2-CZ 2.73Å; E1778-R1782 IonicContact OE2-NH1 2.76Å; E1778-R1782 IonicContact OE2-NH2 3.44Å; E1778-R1782 PolarHBondContact OE2-NH2 3.19Å |
| 1779 | L | 60 | Low | 62.4 | Low | 103 Ų | 103 | 101.8 Ų | 101.8 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -77.3 | -29.3 | 179.5 | -77.3 | 167.7 | 0 | 0 | 0 | 111.9 | Q1775 V1776 R1782 L1783 | Q1775-L1779 WeakPolarHBondContact O-CA 3.46Å; Q1775-L1779 WeakPolarHBondContact O-CB 3.17Å; Q1775-L1779 WeakPolarHBondContact O-CD1 3.4Å; Q1775-L1779 WeakPolarHBondContact O-CG 3.43Å; Q1775-L1779 PolarHBondContact O-N 3.26Å; V1776-L1779 PolarHBondContact O-N 2.58Å; L1779-R1782 CarbonylContact O-C 3.52Å; L1779-L1783 WeakPolarHBondContact O-CA 3.42Å; L1779-L1783 WeakPolarHBondContact O-CB 3.31Å; L1779-L1783 PolarHBondContact O-N 3.31Å |
| 1780 | M | 63.1 | Low | 61.4 | Low | 127 Ų | 127 | 102.7 Ų | 102.7 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66 | -48.6 | 168.5 | -79.9 | 178.2 | 150.2 | 0 | 0 | 110.3 | V1776 R1782 L1783 E1784 | V1776-M1780 HydrophobicContact CG1-CG 4.47Å; V1776-M1780 HydrophobicContact CG1-SD 4.3Å; V1776-M1780 VanDerWaalsContact O-CB 3.31Å; V1776-M1780 WeakPolarHBondContact O-CB 3.26Å; V1776-M1780 VanDerWaalsContact O-CG 3.27Å; V1776-M1780 WeakPolarHBondContact O-CG 3.17Å; V1776-M1780 PolarHBondContact O-N 3.29Å; M1780-R1782 VanDerWaalsContact C-N 3.33Å; M1780-R1782 PolarHBondContact O-N 2.86Å; M1780-L1783 PolarHBondContact O-N 3.43Å; M1780-L1783 VanDerWaalsContact O-N 3.08Å; M1780-E1784 PolarHBondContact O-N 3.11Å; M1780-E1784 VanDerWaalsContact O-N 3.15Å |
| 1781 | A | 63.8 | Low | 60.5 | Low | 56 Ų | 56 | 106.4 Ų | 106.4 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.6 | -40 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1777 L1783 D1785 | K1777-A1781 PolarHBondContact O-N 3.42Å; K1777-A1781 VanDerWaalsContact O-N 3.13Å; A1781-L1783 VanDerWaalsContact C-N 3.35Å; A1781-D1785 PolarHBondContact O-N 3.5Å |
| 1782 | R | 63.3 | Low | 59.8 | Low | 136 Ų | 136 | 110.1 Ų | 110.1 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -77.4 | -14.4 | 174.7 | -71.4 | 179.9 | -168 | 155.7 | 19 | 113.7 | E1778 L1779 M1780 S1786 | E1778-R1782 VanDerWaalsContact CD-NH2 3.28Å; E1778-R1782 VanDerWaalsContact O-CB 3.24Å; E1778-R1782 WeakPolarHBondContact O-CB 3.41Å; E1778-R1782 VanDerWaalsContact O-CG 3.23Å; E1778-R1782 WeakPolarHBondContact O-CG 3.34Å; E1778-R1782 PolarHBondContact O-N 3Å; E1778-R1782 IonicContact OE1-NH2 2.7Å; E1778-R1782 PolarHBondContact OE1-NH2 3.03Å; E1778-R1782 VanDerWaalsContact OE1-NH2 3.16Å; E1778-R1782 IonicContact OE2-CZ 2.73Å; E1778-R1782 IonicContact OE2-NH1 2.76Å; E1778-R1782 IonicContact OE2-NH2 3.44Å; E1778-R1782 PolarHBondContact OE2-NH2 3.19Å; L1779-R1782 CarbonylContact O-C 3.52Å; M1780-R1782 VanDerWaalsContact C-N 3.33Å; M1780-R1782 PolarHBondContact O-N 2.86Å; R1782-S1786 WeakPolarHBondContact O-CA 3.43Å; R1782-S1786 WeakPolarHBondContact O-CB 3.42Å; R1782-S1786 PolarHBondContact O-N 3.36Å |
| 1783 | L | 56.3 | Low | 59.1 | Low | 96 Ų | 96 | 113 Ų | 113 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -78 | -43 | 173.5 | -170.1 | 67 | 0 | 0 | 0 | 109.3 | L1779 M1780 A1781 D1785 S1786 E1787 | L1779-L1783 WeakPolarHBondContact O-CA 3.42Å; L1779-L1783 WeakPolarHBondContact O-CB 3.31Å; L1779-L1783 PolarHBondContact O-N 3.31Å; M1780-L1783 PolarHBondContact O-N 3.43Å; M1780-L1783 VanDerWaalsContact O-N 3.08Å; A1781-L1783 VanDerWaalsContact C-N 3.35Å; L1783-D1785 VanDerWaalsContact C-N 3.28Å; L1783-D1785 PolarHBondContact O-N 2.76Å; L1783-S1786 PolarHBondContact O-N 2.91Å; L1783-S1786 VanDerWaalsContact O-N 3.13Å; L1783-E1787 HydrophobicContact CD1-CG 4.46Å; L1783-E1787 HydrophobicContact CG-CG 4.37Å; L1783-E1787 WeakPolarHBondContact O-CB 3.48Å; L1783-E1787 WeakPolarHBondContact O-CG 3.24Å; L1783-E1787 PolarHBondContact O-N 3.23Å |
| 1784 | E | 60.4 | Low | 58.6 | Low | 163 Ų | 163 | 113.3 Ų | 113.3 | 76% | 0.762 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -56.7 | -40.3 | 170.5 | -68.1 | -173.4 | 121.5 | 0 | 0 | 111.8 | M1780 | M1780-E1784 PolarHBondContact O-N 3.11Å; M1780-E1784 VanDerWaalsContact O-N 3.15Å |
| 1785 | D | 58.9 | Low | 57.8 | Low | 120 Ų | 120 | 119.8 Ų | 119.8 | 64% | 0.642 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.4 | -42.8 | 171.4 | -87.2 | -23.5 | 0 | 0 | 0 | 113.1 | A1781 L1783 S1788 | A1781-D1785 PolarHBondContact O-N 3.5Å; L1783-D1785 VanDerWaalsContact C-N 3.28Å; L1783-D1785 PolarHBondContact O-N 2.76Å; D1785-S1788 WeakPolarHBondContact O-CB 3.22Å; D1785-S1788 PolarHBondContact O-N 3.45Å; D1785-S1788 PolarHBondContact O-OG 2.99Å |
| 1786 | S | 56.6 | Low | 57.2 | Low | 66 Ų | 66 | 125.6 Ų | 125.6 | 46% | 0.462 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -77.2 | -26.6 | -171.3 | -174.3 | 0 | 0 | 0 | 0 | 114.1 | R1782 L1783 S1788 G1789 | R1782-S1786 WeakPolarHBondContact O-CA 3.43Å; R1782-S1786 WeakPolarHBondContact O-CB 3.42Å; R1782-S1786 PolarHBondContact O-N 3.36Å; L1783-S1786 PolarHBondContact O-N 2.91Å; L1783-S1786 VanDerWaalsContact O-N 3.13Å; S1786-S1788 PolarHBondContact O-N 3.08Å; S1786-S1788 VanDerWaalsContact O-N 3.11Å; S1786-G1789 PolarHBondContact O-N 2.91Å |
| 1787 | E | 54.8 | Low | 56.9 | Low | 156 Ų | 156 | 124.9 Ų | 124.9 | 73% | 0.729 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -21.1 | 171.7 | -79 | -169.4 | 161.2 | 0 | 0 | 112.3 | L1783 | L1783-E1787 HydrophobicContact CD1-CG 4.46Å; L1783-E1787 HydrophobicContact CG-CG 4.37Å; L1783-E1787 WeakPolarHBondContact O-CB 3.48Å; L1783-E1787 WeakPolarHBondContact O-CG 3.24Å; L1783-E1787 PolarHBondContact O-N 3.23Å |
| 1788 | S | 52.5 | Low | 56.4 | Low | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -18.3 | 172.3 | 78.2 | 0 | 0 | 0 | 0 | 115 | D1785 S1786 | D1785-S1788 WeakPolarHBondContact O-CB 3.22Å; D1785-S1788 PolarHBondContact O-N 3.45Å; D1785-S1788 PolarHBondContact O-OG 2.99Å; S1786-S1788 PolarHBondContact O-N 3.08Å; S1786-S1788 VanDerWaalsContact O-N 3.11Å |
| 1789 | G | 52.6 | Low | 56.3 | Low | 56 Ų | 56 | 121.6 Ų | 121.6 | 58% | 0.577 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | -53.9 | -156.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | S1786 M1791 | S1786-G1789 PolarHBondContact O-N 2.91Å; G1789-M1791 PolarHBondContact O-N 3.15Å |
| 1790 | A | 44.2 | Very low | 56.4 | Low | 82 Ų | 82 | 125.1 Ų | 125.1 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | trans | -84.1 | -0.7 | -149.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | K1792 | A1790-K1792 VanDerWaalsContact C-N 3.26Å; A1790-K1792 PolarHBondContact O-N 3.28Å | ||
| 1791 | M | 51 | Low | 56.4 | Low | 180 Ų | 180 | 124.1 Ų | 124.1 | 89% | 0.887 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 26.2 | -162.7 | -101.4 | -77.3 | -82.2 | 0 | 0 | 118.7 | G1789 | G1789-M1791 PolarHBondContact O-N 3.15Š|
| 1792 | K | 53.5 | Low | 56.7 | Low | 189 Ų | 189 | 127.4 Ų | 127.4 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | -17.4 | -165.2 | -78 | 179.9 | 178 | 167.9 | 0 | 121.1 | A1790 | A1790-K1792 VanDerWaalsContact C-N 3.26Å; A1790-K1792 PolarHBondContact O-N 3.28Å |
| 1793 | N | 48.7 | Very low | 57.1 | Low | 156 Ų | 156 | 126.9 Ų | 126.9 | 83% | 0.834 | 68% | 0.683 | S | S | * | * | trans | -104.7 | 4.3 | -162.2 | -79.9 | -13.8 | 0 | 0 | 0 | 118.5 | R1795 | N1793-R1795 VanDerWaalsContact C-N 3.32Å; N1793-R1795 PolarHBondContact O-N 3.4Å | ||
| 1794 | G | 51.8 | Low | 57.9 | Low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -2.8 | -162.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||
| 1795 | R | 55.9 | Low | 58.5 | Low | 244 Ų | 244 | 125 Ų | 125 | 92% | 0.921 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -17.7 | -168.4 | -93.4 | -173.9 | 176.1 | 178.5 | -0.4 | 117.9 | N1793 | N1793-R1795 VanDerWaalsContact C-N 3.32Å; N1793-R1795 PolarHBondContact O-N 3.4Å |
| 1796 | K | 53 | Low | 59.3 | Low | 204 Ų | 204 | 128 Ų | 128 | 89% | 0.887 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -91.9 | -9.5 | -177.2 | -88.7 | -171.2 | 175.2 | -177.5 | 0 | 115.5 | ||
| 1797 | A | 57.1 | Low | 60.3 | Low | 58 Ų | 58 | 128.3 Ų | 128.3 | 48% | 0.479 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -72.2 | -32.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1799 K1800 L1801 | A1797-G1799 PolarHBondContact O-N 3.26Å; A1797-K1800 PolarHBondContact O-N 3.37Å; A1797-K1800 VanDerWaalsContact O-N 3.13Å; A1797-L1801 HydrophobicContact CB-CD1 4.42Å; A1797-L1801 PolarHBondContact O-N 3.28Å |
| 1798 | M | 57.7 | Low | 61.1 | Low | 130 Ų | 130 | 125.3 Ų | 125.3 | 64% | 0.64 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -60.6 | -47.8 | -165.9 | -152.3 | 164.2 | 74.1 | 0 | 0 | 113.9 | K1800 L1801 E1802 | M1798-K1800 VanDerWaalsContact C-N 3.29Å; M1798-K1800 PolarHBondContact O-N 3.42Å; M1798-L1801 WeakPolarHBondContact O-CA 3.34Å; M1798-L1801 WeakPolarHBondContact O-CB 3.21Å; M1798-L1801 PolarHBondContact O-N 3.01Å; M1798-E1802 PolarHBondContact O-N 2.63Å |
| 1799 | G | 67.8 | Low | 62.1 | Low | 47 Ų | 47 | 125 Ų | 125 | 49% | 0.485 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -69.1 | -22.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1797 Q1803 | A1797-G1799 PolarHBondContact O-N 3.26Å; G1799-Q1803 PolarHBondContact O-N 3.19Å |
| 1800 | K | 61.7 | Low | 63.3 | Low | 177 Ų | 177 | 127 Ų | 127 | 77% | 0.77 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -77 | -33.6 | 168.5 | -87 | -164 | 170.5 | -166.8 | 0 | 111.6 | A1797 M1798 R1804 | A1797-K1800 PolarHBondContact O-N 3.37Å; A1797-K1800 VanDerWaalsContact O-N 3.13Å; M1798-K1800 VanDerWaalsContact C-N 3.29Å; M1798-K1800 PolarHBondContact O-N 3.42Å; K1800-R1804 VanDerWaalsContact O-CB 3.25Å; K1800-R1804 WeakPolarHBondContact O-CB 3.22Å; K1800-R1804 PolarHBondContact O-N 3.42Å |
| 1801 | L | 62.1 | Low | 64.8 | Low | 106 Ų | 106 | 129.1 Ų | 129.1 | 56% | 0.555 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65 | -40.3 | 172 | -72.7 | 162 | 0 | 0 | 0 | 111.2 | A1797 M1798 Q1803 R1804 V1805 | A1797-L1801 HydrophobicContact CB-CD1 4.42Å; A1797-L1801 PolarHBondContact O-N 3.28Å; M1798-L1801 WeakPolarHBondContact O-CA 3.34Å; M1798-L1801 WeakPolarHBondContact O-CB 3.21Å; M1798-L1801 PolarHBondContact O-N 3.01Å; L1801-Q1803 PolarHBondContact O-N 2.97Å; L1801-R1804 CarbonylContact O-C 3.3Å; L1801-R1804 PolarHBondContact O-N 3.46Å; L1801-V1805 WeakPolarHBondContact O-CB 3.32Å; L1801-V1805 VanDerWaalsContact O-CG2 3.27Å; L1801-V1805 WeakPolarHBondContact O-CG2 3.14Å; L1801-V1805 PolarHBondContact O-N 3.02Å |
| 1802 | E | 70.6 | Confident | 65.9 | Low | 124 Ų | 124 | 125.2 Ų | 125.2 | 58% | 0.579 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60.9 | -45.3 | 177.7 | -72 | 169.1 | 171.4 | 0 | 0 | 113.4 | M1798 V1805 R1806 | M1798-E1802 PolarHBondContact O-N 2.63Å; E1802-V1805 PolarHBondContact O-N 3.15Å; E1802-R1806 PolarHBondContact O-N 3.47Å |
| 1803 | Q | 72.7 | Confident | 67 | Low | 126 Ų | 126 | 121.9 Ų | 121.9 | 59% | 0.589 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.7 | -39.7 | 173.7 | -176.8 | 176 | -20.5 | 0 | 0 | 111.4 | G1799 L1801 V1805 R1806 E1807 | G1799-Q1803 PolarHBondContact O-N 3.19Å; L1801-Q1803 PolarHBondContact O-N 2.97Å; Q1803-V1805 VanDerWaalsContact C-N 3.26Å; Q1803-V1805 PolarHBondContact O-N 3.5Å; Q1803-R1806 PolarHBondContact O-N 3.05Å; Q1803-E1807 WeakPolarHBondContact CG-OE1 3.37Å; Q1803-E1807 PolarHBondContact NE2-OE1 3.13Å; Q1803-E1807 PolarHBondContact O-N 2.63Å |
| 1804 | R | 73.2 | Confident | 68.2 | Low | 149 Ų | 149 | 117.1 Ų | 117.1 | 56% | 0.562 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.3 | -33.2 | 176.6 | -157.3 | 63.4 | 161.1 | 180 | 1.6 | 112.1 | K1800 L1801 E1807 L1808 | K1800-R1804 VanDerWaalsContact O-CB 3.25Å; K1800-R1804 WeakPolarHBondContact O-CB 3.22Å; K1800-R1804 PolarHBondContact O-N 3.42Å; L1801-R1804 CarbonylContact O-C 3.3Å; L1801-R1804 PolarHBondContact O-N 3.46Å; R1804-E1807 IonicContact NH1-OE2 2.98Å; R1804-E1807 PolarHBondContact NH1-OE2 3.3Å; R1804-L1808 HydrophobicContact CG-CD1 4.09Å; R1804-L1808 HydrophobicContact CG-CG 4.48Å; R1804-L1808 WeakPolarHBondContact O-CB 3.32Å; R1804-L1808 WeakPolarHBondContact O-CD1 3.08Å; R1804-L1808 WeakPolarHBondContact O-CG 3.46Å; R1804-L1808 PolarHBondContact O-N 3.4Å |
| 1805 | V | 72.2 | Confident | 69.1 | Low | 69 Ų | 69 | 118.6 Ų | 118.6 | 42% | 0.418 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65 | -43.2 | 173.9 | 163.4 | 0 | 0 | 0 | 0 | 110.4 | L1801 E1802 Q1803 L1808 E1809 | L1801-V1805 WeakPolarHBondContact O-CB 3.32Å; L1801-V1805 VanDerWaalsContact O-CG2 3.27Å; L1801-V1805 WeakPolarHBondContact O-CG2 3.14Å; L1801-V1805 PolarHBondContact O-N 3.02Å; E1802-V1805 PolarHBondContact O-N 3.15Å; Q1803-V1805 VanDerWaalsContact C-N 3.26Å; Q1803-V1805 PolarHBondContact O-N 3.5Å; V1805-L1808 CarbonylContact O-C 3.6Å; V1805-L1808 PolarHBondContact O-N 3.41Å; V1805-E1809 HydrophobicContact CG1-CG 4.19Å; V1805-E1809 WeakPolarHBondContact CG1-OE1 3.09Å; V1805-E1809 WeakPolarHBondContact O-CB 3.24Å; V1805-E1809 WeakPolarHBondContact O-CG 3.18Å; V1805-E1809 PolarHBondContact O-N 3.27Å |
| 1806 | R | 75.6 | Confident | 69.9 | Low | 183 Ų | 183 | 112.3 Ų | 112.3 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.7 | -37.9 | 175.2 | -77.3 | -176.6 | 176 | 166.4 | 1.3 | 114.3 | E1802 Q1803 E1809 T1810 | E1802-R1806 PolarHBondContact O-N 3.47Å; Q1803-R1806 PolarHBondContact O-N 3.05Å; R1806-E1809 WeakPolarHBondContact CA-OE2 3.44Å; R1806-E1809 WeakPolarHBondContact CG-OE2 3.44Å; R1806-E1809 PolarHBondContact O-N 2.83Å; R1806-T1810 PolarHBondContact O-N 2.89Å; R1806-T1810 VanDerWaalsContact O-N 3.08Å; R1806-T1810 PolarHBondContact O-OG1 3.02Å |
| 1807 | E | 76.4 | Confident | 70.9 | Confident | 73 Ų | 73 | 111.5 Ų | 111.5 | 34% | 0.341 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 171.5 | -72.4 | 166.7 | -169.5 | 0 | 0 | 109.7 | Q1803 R1804 E1809 T1810 E1811 | Q1803-E1807 WeakPolarHBondContact CG-OE1 3.37Å; Q1803-E1807 PolarHBondContact NE2-OE1 3.13Å; Q1803-E1807 PolarHBondContact O-N 2.63Å; R1804-E1807 IonicContact NH1-OE2 2.98Å; R1804-E1807 PolarHBondContact NH1-OE2 3.3Å; E1807-E1809 PolarHBondContact O-N 2.9Å; E1807-T1810 PolarHBondContact O-N 2.93Å; E1807-E1811 WeakPolarHBondContact O-CB 3.39Å; E1807-E1811 WeakPolarHBondContact O-CG 3.46Å; E1807-E1811 PolarHBondContact O-N 3.23Å |
| 1808 | L | 72 | Confident | 71.6 | Confident | 94 Ų | 94 | 116.4 Ų | 116.4 | 49% | 0.492 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.1 | -27.7 | 175.8 | -72.4 | 168.6 | 0 | 0 | 0 | 114.1 | R1804 V1805 L1812 | R1804-L1808 HydrophobicContact CG-CD1 4.09Å; R1804-L1808 HydrophobicContact CG-CG 4.48Å; R1804-L1808 WeakPolarHBondContact O-CB 3.32Å; R1804-L1808 WeakPolarHBondContact O-CD1 3.08Å; R1804-L1808 WeakPolarHBondContact O-CG 3.46Å; R1804-L1808 PolarHBondContact O-N 3.4Å; V1805-L1808 CarbonylContact O-C 3.6Å; V1805-L1808 PolarHBondContact O-N 3.41Å; L1808-L1812 WeakPolarHBondContact O-CA 3.44Å; L1808-L1812 WeakPolarHBondContact O-CB 3.06Å; L1808-L1812 PolarHBondContact O-N 3.1Å |
| 1809 | E | 75.1 | Confident | 72.3 | Confident | 105 Ų | 105 | 115.2 Ų | 115.2 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.7 | -39.6 | 173.2 | -80.1 | 165.6 | 165.7 | 0 | 0 | 110.3 | V1805 R1806 E1807 L1812 E1813 | V1805-E1809 HydrophobicContact CG1-CG 4.19Å; V1805-E1809 WeakPolarHBondContact CG1-OE1 3.09Å; V1805-E1809 WeakPolarHBondContact O-CB 3.24Å; V1805-E1809 WeakPolarHBondContact O-CG 3.18Å; V1805-E1809 PolarHBondContact O-N 3.27Å; R1806-E1809 WeakPolarHBondContact CA-OE2 3.44Å; R1806-E1809 WeakPolarHBondContact CG-OE2 3.44Å; R1806-E1809 PolarHBondContact O-N 2.83Å; E1807-E1809 PolarHBondContact O-N 2.9Å; E1809-L1812 PolarHBondContact O-N 2.84Å; E1809-E1813 PolarHBondContact O-N 3.14Å |
| 1810 | T | 77.7 | Confident | 72.7 | Confident | 97 Ų | 97 | 114.5 Ų | 114.5 | 60% | 0.595 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -74.8 | -40.3 | 178.1 | -44 | 0 | 0 | 0 | 0 | 111.1 | R1806 E1807 L1812 E1813 A1814 | R1806-T1810 PolarHBondContact O-N 2.89Å; R1806-T1810 VanDerWaalsContact O-N 3.08Å; R1806-T1810 PolarHBondContact O-OG1 3.02Å; E1807-T1810 PolarHBondContact O-N 2.93Å; T1810-L1812 VanDerWaalsContact C-N 3.31Å; T1810-E1813 PolarHBondContact O-N 3.04Å; T1810-A1814 PolarHBondContact O-N 2.83Å; T1810-A1814 VanDerWaalsContact O-N 3.09Å |
| 1811 | E | 75 | Confident | 73.3 | Confident | 127 Ų | 127 | 112.6 Ų | 112.6 | 59% | 0.593 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.9 | -37.6 | 167.9 | -72.5 | -177.2 | 154 | 0 | 0 | 110.8 | E1807 A1814 E1815 | E1807-E1811 WeakPolarHBondContact O-CB 3.39Å; E1807-E1811 WeakPolarHBondContact O-CG 3.46Å; E1807-E1811 PolarHBondContact O-N 3.23Å; E1811-A1814 PolarHBondContact O-N 3.26Å; E1811-E1815 WeakPolarHBondContact O-CA 3.2Å; E1811-E1815 WeakPolarHBondContact O-CB 3.31Å; E1811-E1815 PolarHBondContact O-N 3.37Å |
| 1812 | L | 73 | Confident | 73.7 | Confident | 97 Ų | 97 | 111.2 Ų | 111.2 | 51% | 0.508 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.4 | -35.3 | 176 | -179.5 | 65.2 | 0 | 0 | 0 | 112.5 | L1808 E1809 T1810 Q1816 | L1808-L1812 WeakPolarHBondContact O-CA 3.44Å; L1808-L1812 WeakPolarHBondContact O-CB 3.06Å; L1808-L1812 PolarHBondContact O-N 3.1Å; E1809-L1812 PolarHBondContact O-N 2.84Å; T1810-L1812 VanDerWaalsContact C-N 3.31Å; L1812-Q1816 HydrophobicContact CD1-CG 4.15Å; L1812-Q1816 HydrophobicContact CG-CG 4.31Å; L1812-Q1816 WeakPolarHBondContact O-CA 3.48Å; L1812-Q1816 WeakPolarHBondContact O-CB 3.49Å; L1812-Q1816 WeakPolarHBondContact O-CG 3.33Å; L1812-Q1816 PolarHBondContact O-N 3.49Å |
| 1813 | E | 76.7 | Confident | 73.8 | Confident | 119 Ų | 119 | 108.5 Ų | 108.5 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.3 | -43.2 | 171.2 | -95.3 | -152.2 | 140.9 | 0 | 0 | 112 | E1809 T1810 Q1816 R1817 | E1809-E1813 PolarHBondContact O-N 3.14Å; T1810-E1813 PolarHBondContact O-N 3.04Å; E1813-Q1816 PolarHBondContact O-N 2.96Å; E1813-R1817 PolarHBondContact O-N 2.91Å |
| 1814 | A | 75.8 | Confident | 73.8 | Confident | 57 Ų | 57 | 110 Ų | 110 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1810 E1811 R1817 R1818 | T1810-A1814 PolarHBondContact O-N 2.83Å; T1810-A1814 VanDerWaalsContact O-N 3.09Å; E1811-A1814 PolarHBondContact O-N 3.26Å; A1814-R1817 PolarHBondContact O-N 2.92Å; A1814-R1818 PolarHBondContact O-N 3.34Å |
| 1815 | E | 69.5 | Low | 73.7 | Confident | 104 Ų | 104 | 107.8 Ų | 107.8 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -76.1 | -22 | 177.6 | -153.2 | 69.9 | 175.8 | 0 | 0 | 111.5 | E1811 R1818 H1819 | E1811-E1815 WeakPolarHBondContact O-CA 3.2Å; E1811-E1815 WeakPolarHBondContact O-CB 3.31Å; E1811-E1815 PolarHBondContact O-N 3.37Å; E1815-R1818 CarbonylContact O-C 3.54Å; E1815-R1818 WeakPolarHBondContact OE2-CD 3.43Å; E1815-R1818 IonicContact OE2-NH1 3.64Å; E1815-R1818 PolarHBondContact OE2-NH1 2.84Å; E1815-H1819 WeakPolarHBondContact O-CA 3.36Å; E1815-H1819 WeakPolarHBondContact O-CB 3.22Å; E1815-H1819 PolarHBondContact O-N 2.86Å |
| 1816 | Q | 72.3 | Confident | 73.6 | Confident | 113 Ų | 113 | 109.2 Ų | 109.2 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.3 | -34.8 | 166.5 | -85.1 | 178.3 | 15.9 | 0 | 0 | 112 | L1812 E1813 H1819 G1820 | L1812-Q1816 HydrophobicContact CD1-CG 4.15Å; L1812-Q1816 HydrophobicContact CG-CG 4.31Å; L1812-Q1816 WeakPolarHBondContact O-CA 3.48Å; L1812-Q1816 WeakPolarHBondContact O-CB 3.49Å; L1812-Q1816 WeakPolarHBondContact O-CG 3.33Å; L1812-Q1816 PolarHBondContact O-N 3.49Å; E1813-Q1816 PolarHBondContact O-N 2.96Å; Q1816-H1819 CarbonylContact O-C 3.59Å; Q1816-H1819 PolarHBondContact O-N 3.16Å; Q1816-G1820 PolarHBondContact O-N 2.77Å |
| 1817 | R | 74.5 | Confident | 73.5 | Confident | 187 Ų | 187 | 108.1 Ų | 108.1 | 71% | 0.706 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68 | -44.3 | 170.5 | -72 | -175.3 | -173.6 | -174.7 | 5.3 | 110.9 | E1813 A1814 H1819 G1820 E1821 | E1813-R1817 PolarHBondContact O-N 2.91Å; A1814-R1817 PolarHBondContact O-N 2.92Å; R1817-H1819 VanDerWaalsContact C-N 3.29Å; R1817-H1819 PolarHBondContact O-N 3.24Å; R1817-G1820 WeakPolarHBondContact O-CA 3.21Å; R1817-G1820 PolarHBondContact O-N 2.71Å; R1817-G1820 VanDerWaalsContact O-N 3.09Å; R1817-E1821 PolarHBondContact O-N 2.74Å |
| 1818 | R | 72.5 | Confident | 73.1 | Confident | 161 Ų | 161 | 112 Ų | 112 | 61% | 0.608 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.7 | -32.7 | 168.8 | -79.1 | 174.2 | 160.5 | -174.9 | -1.9 | 112.7 | A1814 E1815 G1820 T1822 | A1814-R1818 PolarHBondContact O-N 3.34Å; E1815-R1818 CarbonylContact O-C 3.54Å; E1815-R1818 WeakPolarHBondContact OE2-CD 3.43Å; E1815-R1818 IonicContact OE2-NH1 3.64Å; E1815-R1818 PolarHBondContact OE2-NH1 2.84Å; R1818-G1820 VanDerWaalsContact C-N 3.33Å; R1818-T1822 WeakPolarHBondContact O-CA 3.34Å; R1818-T1822 VanDerWaalsContact O-CB 3.25Å; R1818-T1822 WeakPolarHBondContact O-CB 3.5Å; R1818-T1822 WeakPolarHBondContact O-CG2 3.39Å; R1818-T1822 PolarHBondContact O-N 3.41Å; R1818-T1822 PolarHBondContact O-OG1 3.04Å |
| 1819 | H | 72.5 | Confident | 73.1 | Confident | 104 Ų | 104 | 111 Ų | 111 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -76.5 | -21.9 | 173.6 | -166 | 63.1 | 0 | 0 | 0 | 111.8 | E1815 Q1816 R1817 T1822 Q1823 | E1815-H1819 WeakPolarHBondContact O-CA 3.36Å; E1815-H1819 WeakPolarHBondContact O-CB 3.22Å; E1815-H1819 PolarHBondContact O-N 2.86Å; Q1816-H1819 CarbonylContact O-C 3.59Å; Q1816-H1819 PolarHBondContact O-N 3.16Å; R1817-H1819 VanDerWaalsContact C-N 3.29Å; R1817-H1819 PolarHBondContact O-N 3.24Å; H1819-T1822 WeakPolarHBondContact CA-OG1 3.39Å; H1819-Q1823 PolarHBondContact CD2-NE2 3.44Å; H1819-Q1823 PolarHBondContact NE2-NE2 3.14Å; H1819-Q1823 WeakPolarHBondContact O-CA 3.35Å; H1819-Q1823 WeakPolarHBondContact O-CB 3.21Å; H1819-Q1823 WeakPolarHBondContact O-CG 3.49Å; H1819-Q1823 PolarHBondContact O-N 3.38Å |
| 1820 | G | 76.4 | Confident | 72.9 | Confident | 33 Ų | 33 | 108.4 Ų | 108.4 | 34% | 0.34 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76.1 | -40.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1816 R1817 R1818 Q1823 K1824 | Q1816-G1820 PolarHBondContact O-N 2.77Å; R1817-G1820 WeakPolarHBondContact O-CA 3.21Å; R1817-G1820 PolarHBondContact O-N 2.71Å; R1817-G1820 VanDerWaalsContact O-N 3.09Å; R1818-G1820 VanDerWaalsContact C-N 3.33Å; G1820-Q1823 PolarHBondContact O-N 2.81Å; G1820-K1824 WeakPolarHBondContact O-CG 3.3Å; G1820-K1824 PolarHBondContact O-N 3.41Å |
| 1821 | E | 72.6 | Confident | 72.6 | Confident | 136 Ų | 136 | 112.8 Ų | 112.8 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -76 | -41 | 174.1 | -69 | -160.6 | 134.2 | 0 | 0 | 112.4 | R1817 Q1823 K1824 N1825 | R1817-E1821 PolarHBondContact O-N 2.74Å; E1821-Q1823 VanDerWaalsContact C-N 3.34Å; E1821-K1824 PolarHBondContact O-N 2.98Å; E1821-K1824 VanDerWaalsContact O-N 3.17Å; E1821-N1825 WeakPolarHBondContact O-CB 3.09Å; E1821-N1825 PolarHBondContact O-N 3.32Å |
| 1822 | T | 71.4 | Confident | 72.4 | Confident | 77 Ų | 77 | 115.1 Ų | 115.1 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.5 | -26.2 | 167.5 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | R1818 H1819 L1826 | R1818-T1822 WeakPolarHBondContact O-CA 3.34Å; R1818-T1822 VanDerWaalsContact O-CB 3.25Å; R1818-T1822 WeakPolarHBondContact O-CB 3.5Å; R1818-T1822 WeakPolarHBondContact O-CG2 3.39Å; R1818-T1822 PolarHBondContact O-N 3.41Å; R1818-T1822 PolarHBondContact O-OG1 3.04Å; H1819-T1822 WeakPolarHBondContact CA-OG1 3.39Å; T1822-L1826 VanDerWaalsContact O-CA 3.24Å; T1822-L1826 WeakPolarHBondContact O-CA 3.49Å; T1822-L1826 WeakPolarHBondContact O-CB 3.32Å; T1822-L1826 PolarHBondContact O-N 2.67Å |
| 1823 | Q | 72.2 | Confident | 72.1 | Confident | 68 Ų | 68 | 115.2 Ų | 115.2 | 32% | 0.318 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.2 | -31 | 165 | -87.2 | -163.5 | 32.6 | 0 | 0 | 112.4 | H1819 G1820 E1821 L1826 R1827 | H1819-Q1823 PolarHBondContact CD2-NE2 3.44Å; H1819-Q1823 PolarHBondContact NE2-NE2 3.14Å; H1819-Q1823 WeakPolarHBondContact O-CA 3.35Å; H1819-Q1823 WeakPolarHBondContact O-CB 3.21Å; H1819-Q1823 WeakPolarHBondContact O-CG 3.49Å; H1819-Q1823 PolarHBondContact O-N 3.38Å; G1820-Q1823 PolarHBondContact O-N 2.81Å; E1821-Q1823 VanDerWaalsContact C-N 3.34Å; Q1823-L1826 CarbonylContact O-C 3.58Å; Q1823-R1827 WeakPolarHBondContact O-CA 3.38Å; Q1823-R1827 WeakPolarHBondContact O-CB 3.29Å; Q1823-R1827 WeakPolarHBondContact O-CD 3.3Å; Q1823-R1827 WeakPolarHBondContact O-CG 3.38Å; Q1823-R1827 PolarHBondContact O-N 2.75Å |
| 1824 | K | 73.5 | Confident | 71.9 | Confident | 156 Ų | 156 | 115.6 Ų | 115.6 | 68% | 0.678 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.3 | -44.7 | 172.8 | -80.2 | 175.6 | 179.6 | 174.4 | 0 | 111.1 | G1820 E1821 R1827 K1828 | G1820-K1824 WeakPolarHBondContact O-CG 3.3Å; G1820-K1824 PolarHBondContact O-N 3.41Å; E1821-K1824 PolarHBondContact O-N 2.98Å; E1821-K1824 VanDerWaalsContact O-N 3.17Å; K1824-R1827 PolarHBondContact O-N 2.81Å; K1824-K1828 PolarHBondContact O-N 3.34Å |
| 1825 | N | 71.7 | Confident | 71.4 | Confident | 103 Ų | 103 | 118.3 Ų | 118.3 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71 | -36.9 | 175.6 | -75.6 | -22.5 | 0 | 0 | 0 | 112 | E1821 K1828 V1829 | E1821-N1825 WeakPolarHBondContact O-CB 3.09Å; E1821-N1825 PolarHBondContact O-N 3.32Å; N1825-K1828 CarbonylContact O-C 3.58Å; N1825-K1828 WeakPolarHBondContact O-CB 3.32Å; N1825-K1828 PolarHBondContact O-N 3.23Å; N1825-V1829 VanDerWaalsContact O-CB 3.28Å; N1825-V1829 WeakPolarHBondContact O-CB 3.44Å; N1825-V1829 VanDerWaalsContact O-CG2 3.28Å; N1825-V1829 WeakPolarHBondContact O-CG2 3.43Å; N1825-V1829 PolarHBondContact O-N 2.96Å |
| 1826 | L | 68.8 | Low | 71.4 | Confident | 99 Ų | 99 | 118.6 Ų | 118.6 | 52% | 0.518 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -77.4 | -15.6 | 173 | -168.8 | 139.4 | 0 | 0 | 0 | 111.9 | T1822 Q1823 V1829 D1830 | T1822-L1826 VanDerWaalsContact O-CA 3.24Å; T1822-L1826 WeakPolarHBondContact O-CA 3.49Å; T1822-L1826 WeakPolarHBondContact O-CB 3.32Å; T1822-L1826 PolarHBondContact O-N 2.67Å; Q1823-L1826 CarbonylContact O-C 3.58Å; L1826-V1829 CarbonylContact O-C 3.41Å; L1826-D1830 WeakPolarHBondContact O-CA 3.45Å; L1826-D1830 WeakPolarHBondContact O-CB 3.28Å; L1826-D1830 PolarHBondContact O-N 2.84Å |
| 1827 | R | 73.2 | Confident | 71.4 | Confident | 160 Ų | 160 | 116 Ų | 116 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -84.5 | -27.7 | 163.1 | -75.3 | 171.5 | -162.6 | -152.2 | 8 | 112.3 | Q1823 K1824 R1831 | Q1823-R1827 WeakPolarHBondContact O-CA 3.38Å; Q1823-R1827 WeakPolarHBondContact O-CB 3.29Å; Q1823-R1827 WeakPolarHBondContact O-CD 3.3Å; Q1823-R1827 WeakPolarHBondContact O-CG 3.38Å; Q1823-R1827 PolarHBondContact O-N 2.75Å; K1824-R1827 PolarHBondContact O-N 2.81Å; R1827-R1831 WeakPolarHBondContact O-CB 3.32Å; R1827-R1831 WeakPolarHBondContact O-CG 3.19Å; R1827-R1831 PolarHBondContact O-N 2.83Å |
| 1828 | K | 69.1 | Low | 71.2 | Confident | 156 Ų | 156 | 112.2 Ų | 112.2 | 68% | 0.678 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.3 | -37.4 | 165.5 | -109.7 | -175.3 | 176.1 | -177.1 | 0 | 111.3 | K1824 N1825 R1832 | K1824-K1828 PolarHBondContact O-N 3.34Å; N1825-K1828 CarbonylContact O-C 3.58Å; N1825-K1828 WeakPolarHBondContact O-CB 3.32Å; N1825-K1828 PolarHBondContact O-N 3.23Å; K1828-R1832 WeakPolarHBondContact O-CB 3.39Å; K1828-R1832 PolarHBondContact O-N 3.25Å |
| 1829 | V | 71 | Confident | 71.1 | Confident | 72 Ų | 72 | 109.1 Ų | 109.1 | 44% | 0.436 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -83.7 | -18.6 | 173.4 | 174 | 0 | 0 | 0 | 0 | 111.1 | N1825 L1826 R1832 M1833 | N1825-V1829 VanDerWaalsContact O-CB 3.28Å; N1825-V1829 WeakPolarHBondContact O-CB 3.44Å; N1825-V1829 VanDerWaalsContact O-CG2 3.28Å; N1825-V1829 WeakPolarHBondContact O-CG2 3.43Å; N1825-V1829 PolarHBondContact O-N 2.96Å; L1826-V1829 CarbonylContact O-C 3.41Å; V1829-R1832 CarbonylContact O-C 3.46Å; V1829-M1833 HydrophobicContact CG1-CG 4.06Å; V1829-M1833 WeakPolarHBondContact O-CA 3.27Å; V1829-M1833 WeakPolarHBondContact O-CB 3.44Å; V1829-M1833 WeakPolarHBondContact O-CG 3.35Å; V1829-M1833 PolarHBondContact O-N 3.25Å |
| 1830 | D | 71.9 | Confident | 70.9 | Confident | 51 Ų | 51 | 106.6 Ų | 106.6 | 27% | 0.273 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -79.9 | -31.1 | 165.4 | -133.4 | 39.8 | 0 | 0 | 0 | 110.3 | L1826 K1834 | L1826-D1830 WeakPolarHBondContact O-CA 3.45Å; L1826-D1830 WeakPolarHBondContact O-CB 3.28Å; L1826-D1830 PolarHBondContact O-N 2.84Å; D1830-K1834 WeakPolarHBondContact O-CA 3.47Å; D1830-K1834 WeakPolarHBondContact O-CB 3.48Å; D1830-K1834 WeakPolarHBondContact O-CG 3.38Å; D1830-K1834 PolarHBondContact O-N 3.04Å; D1830-K1834 WeakPolarHBondContact OD2-CE 3.46Å; D1830-K1834 IonicContact OD2-NZ 3.13Å; D1830-K1834 PolarHBondContact OD2-NZ 3.11Å |
| 1831 | R | 71.5 | Confident | 70.7 | Confident | 189 Ų | 189 | 109.4 Ų | 109.4 | 71% | 0.713 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.5 | -49.2 | 166.4 | -82.2 | -171.5 | 173.8 | -172.2 | -3.2 | 109.8 | R1827 M1833 K1834 E1835 | R1827-R1831 WeakPolarHBondContact O-CB 3.32Å; R1827-R1831 WeakPolarHBondContact O-CG 3.19Å; R1827-R1831 PolarHBondContact O-N 2.83Å; R1831-M1833 VanDerWaalsContact C-N 3.32Å; R1831-M1833 PolarHBondContact O-N 2.86Å; R1831-K1834 CarbonylContact O-C 3.57Å; R1831-K1834 PolarHBondContact O-N 3.33Å; R1831-E1835 WeakPolarHBondContact O-CB 3.39Å; R1831-E1835 WeakPolarHBondContact O-CG 3.23Å; R1831-E1835 PolarHBondContact O-N 3.46Å |
| 1832 | R | 70.3 | Confident | 70.4 | Confident | 175 Ų | 175 | 108.1 Ų | 108.1 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.2 | -24.2 | 172.7 | -87.4 | -174.9 | 170.2 | -176.3 | -4.2 | 114.8 | K1828 V1829 I1836 | K1828-R1832 WeakPolarHBondContact O-CB 3.39Å; K1828-R1832 PolarHBondContact O-N 3.25Å; V1829-R1832 CarbonylContact O-C 3.46Å; R1832-I1836 WeakPolarHBondContact O-CA 3.49Å; R1832-I1836 WeakPolarHBondContact O-CB 3.34Å; R1832-I1836 WeakPolarHBondContact O-CD1 3.43Å; R1832-I1836 WeakPolarHBondContact O-CG1 3.39Å; R1832-I1836 PolarHBondContact O-N 3.43Å |
| 1833 | M | 65.9 | Low | 70.4 | Confident | 100 Ų | 100 | 108.7 Ų | 108.7 | 49% | 0.493 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -92.2 | -16.3 | 173.1 | -76.8 | -155.5 | -54.2 | 0 | 0 | 112.3 | V1829 R1831 S1837 | V1829-M1833 HydrophobicContact CG1-CG 4.06Å; V1829-M1833 WeakPolarHBondContact O-CA 3.27Å; V1829-M1833 WeakPolarHBondContact O-CB 3.44Å; V1829-M1833 WeakPolarHBondContact O-CG 3.35Å; V1829-M1833 PolarHBondContact O-N 3.25Å; R1831-M1833 VanDerWaalsContact C-N 3.32Å; R1831-M1833 PolarHBondContact O-N 2.86Å; M1833-S1837 VanDerWaalsContact O-CA 3.25Å; M1833-S1837 WeakPolarHBondContact O-CA 3.4Å; M1833-S1837 WeakPolarHBondContact O-CB 3.49Å; M1833-S1837 PolarHBondContact O-N 2.92Å |
| 1834 | K | 73.6 | Confident | 70.4 | Confident | 127 Ų | 127 | 110.5 Ų | 110.5 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -86.4 | -24.1 | 164.1 | -74.6 | 166.7 | 172.5 | 154.4 | 0 | 111.3 | D1830 R1831 L1838 | D1830-K1834 WeakPolarHBondContact O-CA 3.47Å; D1830-K1834 WeakPolarHBondContact O-CB 3.48Å; D1830-K1834 WeakPolarHBondContact O-CG 3.38Å; D1830-K1834 PolarHBondContact O-N 3.04Å; D1830-K1834 WeakPolarHBondContact OD2-CE 3.46Å; D1830-K1834 IonicContact OD2-NZ 3.13Å; D1830-K1834 PolarHBondContact OD2-NZ 3.11Å; R1831-K1834 CarbonylContact O-C 3.57Å; R1831-K1834 PolarHBondContact O-N 3.33Å; K1834-L1838 WeakPolarHBondContact O-CA 3.48Å; K1834-L1838 WeakPolarHBondContact O-CB 3.26Å; K1834-L1838 WeakPolarHBondContact O-CD1 3.37Å; K1834-L1838 WeakPolarHBondContact O-CG 3.42Å; K1834-L1838 PolarHBondContact O-N 2.75Å |
| 1835 | E | 65.5 | Low | 70.4 | Confident | 113 Ų | 113 | 107.9 Ų | 107.9 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -75.6 | -44.6 | 164.7 | -71.8 | 156.3 | -170.7 | 0 | 0 | 109.9 | R1831 L1838 Q1839 | R1831-E1835 WeakPolarHBondContact O-CB 3.39Å; R1831-E1835 WeakPolarHBondContact O-CG 3.23Å; R1831-E1835 PolarHBondContact O-N 3.46Å; E1835-L1838 CarbonylContact O-C 3.54Å; E1835-L1838 PolarHBondContact O-N 2.81Å; E1835-Q1839 WeakPolarHBondContact O-CA 3.43Å; E1835-Q1839 WeakPolarHBondContact O-CB 3.47Å; E1835-Q1839 PolarHBondContact O-N 2.77Å |
| 1836 | I | 69.9 | Low | 70.2 | Confident | 110 Ų | 110 | 105.5 Ų | 105.5 | 56% | 0.564 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -77.1 | -21.8 | 175 | -67.8 | 164.7 | 0 | 0 | 0 | 111.9 | R1832 Q1839 A1840 | R1832-I1836 WeakPolarHBondContact O-CA 3.49Å; R1832-I1836 WeakPolarHBondContact O-CB 3.34Å; R1832-I1836 WeakPolarHBondContact O-CD1 3.43Å; R1832-I1836 WeakPolarHBondContact O-CG1 3.39Å; R1832-I1836 PolarHBondContact O-N 3.43Å; I1836-Q1839 CarbonylContact O-C 3.58Å; I1836-A1840 WeakPolarHBondContact O-CA 3.22Å; I1836-A1840 WeakPolarHBondContact O-CB 3.21Å; I1836-A1840 PolarHBondContact O-N 2.91Å |
| 1837 | S | 70.6 | Confident | 70.4 | Confident | 60 Ų | 60 | 105.8 Ų | 105.8 | 42% | 0.42 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -93.7 | -13.2 | 168.9 | -167.9 | 0 | 0 | 0 | 0 | 113 | M1833 E1841 | M1833-S1837 VanDerWaalsContact O-CA 3.25Å; M1833-S1837 WeakPolarHBondContact O-CA 3.4Å; M1833-S1837 WeakPolarHBondContact O-CB 3.49Å; M1833-S1837 PolarHBondContact O-N 2.92Å; S1837-E1841 WeakPolarHBondContact O-CA 3.36Å; S1837-E1841 WeakPolarHBondContact O-CB 3.38Å; S1837-E1841 VanDerWaalsContact O-CG 3.23Å; S1837-E1841 WeakPolarHBondContact O-CG 3.37Å; S1837-E1841 PolarHBondContact O-N 2.99Å |
| 1838 | L | 71.2 | Confident | 70.4 | Confident | 107 Ų | 107 | 101.4 Ų | 101.4 | 56% | 0.56 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -80.8 | -32.6 | 157.8 | -81.8 | 164.4 | 0 | 0 | 0 | 110.2 | K1834 E1835 E1841 E1842 | K1834-L1838 WeakPolarHBondContact O-CA 3.48Å; K1834-L1838 WeakPolarHBondContact O-CB 3.26Å; K1834-L1838 WeakPolarHBondContact O-CD1 3.37Å; K1834-L1838 WeakPolarHBondContact O-CG 3.42Å; K1834-L1838 PolarHBondContact O-N 2.75Å; E1835-L1838 CarbonylContact O-C 3.54Å; E1835-L1838 PolarHBondContact O-N 2.81Å; L1838-E1841 CarbonylContact O-C 3.46Å; L1838-E1842 WeakPolarHBondContact O-CA 3.38Å; L1838-E1842 WeakPolarHBondContact O-CB 3.3Å; L1838-E1842 VanDerWaalsContact O-CG 3.28Å; L1838-E1842 WeakPolarHBondContact O-CG 3.33Å; L1838-E1842 PolarHBondContact O-N 3.43Å |
| 1839 | Q | 69.9 | Low | 70.5 | Confident | 96 Ų | 96 | 102.5 Ų | 102.5 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72 | -35.1 | 170.4 | -168.9 | 65.5 | 62 | 0 | 0 | 110.2 | E1835 I1836 D1843 | E1835-Q1839 WeakPolarHBondContact O-CA 3.43Å; E1835-Q1839 WeakPolarHBondContact O-CB 3.47Å; E1835-Q1839 PolarHBondContact O-N 2.77Å; I1836-Q1839 CarbonylContact O-C 3.58Å; Q1839-D1843 PolarHBondContact NE2-OD1 2.74Å; Q1839-D1843 WeakPolarHBondContact O-CA 2.99Å; Q1839-D1843 WeakPolarHBondContact O-CB 3.39Å; Q1839-D1843 PolarHBondContact O-N 2.83Å |
| 1840 | A | 69.1 | Low | 70.4 | Confident | 50 Ų | 50 | 103.9 Ų | 103.9 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -88.4 | -15.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | I1836 K1844 | I1836-A1840 WeakPolarHBondContact O-CA 3.22Å; I1836-A1840 WeakPolarHBondContact O-CB 3.21Å; I1836-A1840 PolarHBondContact O-N 2.91Å; A1840-K1844 WeakPolarHBondContact O-CA 2.93Å; A1840-K1844 WeakPolarHBondContact O-CB 3.49Å; A1840-K1844 PolarHBondContact O-N 2.88Å |
| 1841 | E | 71.9 | Confident | 70.4 | Confident | 93 Ų | 93 | 105.6 Ų | 105.6 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -84.6 | -25 | 160 | -82.9 | -166.8 | -164.5 | 0 | 0 | 112 | S1837 L1838 K1845 | S1837-E1841 WeakPolarHBondContact O-CA 3.36Å; S1837-E1841 WeakPolarHBondContact O-CB 3.38Å; S1837-E1841 VanDerWaalsContact O-CG 3.23Å; S1837-E1841 WeakPolarHBondContact O-CG 3.37Å; S1837-E1841 PolarHBondContact O-N 2.99Å; L1838-E1841 CarbonylContact O-C 3.46Å; E1841-K1845 WeakPolarHBondContact O-CA 3.5Å; E1841-K1845 WeakPolarHBondContact O-CB 3.29Å; E1841-K1845 WeakPolarHBondContact O-CD 3.34Å; E1841-K1845 WeakPolarHBondContact O-CG 3.21Å; E1841-K1845 PolarHBondContact O-N 2.79Å; E1841-K1845 WeakPolarHBondContact OE2-CE 3.2Å; E1841-K1845 IonicContact OE2-NZ 3.9Å; E1841-K1845 PolarHBondContact OE2-NZ 2.99Å |
| 1842 | E | 67.2 | Low | 70.5 | Confident | 109 Ų | 109 | 101.3 Ų | 101.3 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -78.4 | -39.8 | 169 | -80.7 | -149.4 | 132 | 0 | 0 | 109.7 | L1838 K1845 S1846 | L1838-E1842 WeakPolarHBondContact O-CA 3.38Å; L1838-E1842 WeakPolarHBondContact O-CB 3.3Å; L1838-E1842 VanDerWaalsContact O-CG 3.28Å; L1838-E1842 WeakPolarHBondContact O-CG 3.33Å; L1838-E1842 PolarHBondContact O-N 3.43Å; E1842-K1845 CarbonylContact O-C 3.54Å; E1842-K1845 PolarHBondContact O-N 2.89Å; E1842-S1846 WeakPolarHBondContact O-CA 3.44Å; E1842-S1846 WeakPolarHBondContact O-CB 3.15Å; E1842-S1846 PolarHBondContact O-N 2.82Å |
| 1843 | D | 70 | Confident | 70.3 | Confident | 88 Ų | 88 | 97.6 Ų | 97.6 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -75.5 | -30.5 | 174.2 | -66.2 | -17 | 0 | 0 | 0 | 110.4 | Q1839 S1846 H1847 | Q1839-D1843 PolarHBondContact NE2-OD1 2.74Å; Q1839-D1843 WeakPolarHBondContact O-CA 2.99Å; Q1839-D1843 WeakPolarHBondContact O-CB 3.39Å; Q1839-D1843 PolarHBondContact O-N 2.83Å; D1843-S1846 CarbonylContact O-C 3.53Å; D1843-H1847 WeakPolarHBondContact O-CA 3.45Å; D1843-H1847 WeakPolarHBondContact O-CB 3.17Å; D1843-H1847 PolarHBondContact O-N 3Å |
| 1844 | K | 72.8 | Confident | 70.6 | Confident | 107 Ų | 107 | 96.1 Ų | 96.1 | 47% | 0.465 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -75.3 | -40.6 | 164.8 | -176.4 | 168.4 | 179.7 | 166.4 | 0 | 111.9 | A1840 S1846 H1847 D1848 | A1840-K1844 WeakPolarHBondContact O-CA 2.93Å; A1840-K1844 WeakPolarHBondContact O-CB 3.49Å; A1840-K1844 PolarHBondContact O-N 2.88Å; K1844-S1846 PolarHBondContact O-N 2.91Å; K1844-H1847 CarbonylContact O-C 3.58Å; K1844-H1847 PolarHBondContact O-N 2.85Å; K1844-H1847 VanDerWaalsContact O-N 3.14Å; K1844-D1848 WeakPolarHBondContact CE-OD1 3.44Å; K1844-D1848 VanDerWaalsContact CE-OD2 3.24Å; K1844-D1848 WeakPolarHBondContact CE-OD2 3.41Å; K1844-D1848 VanDerWaalsContact CG-OD1 3.27Å; K1844-D1848 WeakPolarHBondContact CG-OD1 3.39Å; K1844-D1848 WeakPolarHBondContact CG-OD2 3.49Å; K1844-D1848 WeakPolarHBondContact O-CA 3.32Å; K1844-D1848 WeakPolarHBondContact O-CB 3.26Å; K1844-D1848 PolarHBondContact O-N 3.01Å |
| 1845 | K | 72.8 | Confident | 70.6 | Confident | 101 Ų | 101 | 96.4 Ų | 96.4 | 44% | 0.439 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.2 | -19.8 | 170.5 | -71.6 | 159.4 | -162.5 | 156.1 | 0 | 111.5 | E1841 E1842 R1849 | E1841-K1845 WeakPolarHBondContact O-CA 3.5Å; E1841-K1845 WeakPolarHBondContact O-CB 3.29Å; E1841-K1845 WeakPolarHBondContact O-CD 3.34Å; E1841-K1845 WeakPolarHBondContact O-CG 3.21Å; E1841-K1845 PolarHBondContact O-N 2.79Å; E1841-K1845 WeakPolarHBondContact OE2-CE 3.2Å; E1841-K1845 IonicContact OE2-NZ 3.9Å; E1841-K1845 PolarHBondContact OE2-NZ 2.99Å; E1842-K1845 CarbonylContact O-C 3.54Å; E1842-K1845 PolarHBondContact O-N 2.89Å; K1845-R1849 WeakPolarHBondContact O-CB 3.39Å; K1845-R1849 WeakPolarHBondContact O-CD 3.26Å; K1845-R1849 WeakPolarHBondContact O-CG 3.47Å; K1845-R1849 PolarHBondContact O-N 2.65Å |
| 1846 | S | 68.4 | Low | 70.8 | Confident | 52 Ų | 52 | 96.2 Ų | 96.2 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -84.8 | -32.7 | 171.9 | -172 | 0 | 0 | 0 | 0 | 111 | E1842 D1843 K1844 R1849 M1850 | E1842-S1846 WeakPolarHBondContact O-CA 3.44Å; E1842-S1846 WeakPolarHBondContact O-CB 3.15Å; E1842-S1846 PolarHBondContact O-N 2.82Å; D1843-S1846 CarbonylContact O-C 3.53Å; K1844-S1846 PolarHBondContact O-N 2.91Å; S1846-R1849 CarbonylContact O-C 3.59Å; S1846-M1850 WeakPolarHBondContact O-CA 3.32Å; S1846-M1850 VanDerWaalsContact O-CB 3.23Å; S1846-M1850 WeakPolarHBondContact O-CB 3.44Å; S1846-M1850 PolarHBondContact O-N 3.25Å |
| 1847 | H | 72.8 | Confident | 70.5 | Confident | 106 Ų | 106 | 94.6 Ų | 94.6 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -77.2 | -51.2 | 173.5 | -162.6 | 87 | 0 | 0 | 0 | 110.7 | D1843 K1844 R1849 M1850 Q1851 | D1843-H1847 WeakPolarHBondContact O-CA 3.45Å; D1843-H1847 WeakPolarHBondContact O-CB 3.17Å; D1843-H1847 PolarHBondContact O-N 3Å; K1844-H1847 CarbonylContact O-C 3.58Å; K1844-H1847 PolarHBondContact O-N 2.85Å; K1844-H1847 VanDerWaalsContact O-N 3.14Å; H1847-R1849 PolarHBondContact O-N 2.84Å; H1847-M1850 CarbonylContact O-C 3.52Å; H1847-M1850 VanDerWaalsContact O-C 3.26Å; H1847-M1850 VanDerWaalsContact O-CA 3.29Å; H1847-M1850 WeakPolarHBondContact O-CA 3.41Å; H1847-M1850 WeakPolarHBondContact O-CB 3.46Å; H1847-M1850 PolarHBondContact O-N 2.93Å; H1847-Q1851 PolarHBondContact CD2-OE1 2.96Å; H1847-Q1851 WeakPolarHBondContact O-CA 3.29Å; H1847-Q1851 WeakPolarHBondContact O-CB 3.03Å; H1847-Q1851 PolarHBondContact O-N 3.33Å |
| 1848 | D | 73.2 | Confident | 70.4 | Confident | 67 Ų | 67 | 97.1 Ų | 97.1 | 36% | 0.358 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -55.2 | -33.1 | 165.6 | -62.3 | -2.6 | 0 | 0 | 0 | 111.4 | K1844 E1852 | K1844-D1848 WeakPolarHBondContact CE-OD1 3.44Å; K1844-D1848 VanDerWaalsContact CE-OD2 3.24Å; K1844-D1848 WeakPolarHBondContact CE-OD2 3.41Å; K1844-D1848 VanDerWaalsContact CG-OD1 3.27Å; K1844-D1848 WeakPolarHBondContact CG-OD1 3.39Å; K1844-D1848 WeakPolarHBondContact CG-OD2 3.49Å; K1844-D1848 WeakPolarHBondContact O-CA 3.32Å; K1844-D1848 WeakPolarHBondContact O-CB 3.26Å; K1844-D1848 PolarHBondContact O-N 3.01Å; D1848-E1852 WeakPolarHBondContact O-CA 3.45Å; D1848-E1852 WeakPolarHBondContact O-CB 3.29Å; D1848-E1852 WeakPolarHBondContact O-CG 3.41Å; D1848-E1852 PolarHBondContact O-N 2.87Å |
| 1849 | R | 71.6 | Confident | 70.4 | Confident | 180 Ų | 180 | 93.4 Ų | 93.4 | 68% | 0.679 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -75.9 | -33.4 | 167.3 | -81.8 | 168.9 | -176.5 | 165.2 | -0.1 | 112.9 | K1845 S1846 H1847 Q1851 L1853 | K1845-R1849 WeakPolarHBondContact O-CB 3.39Å; K1845-R1849 WeakPolarHBondContact O-CD 3.26Å; K1845-R1849 WeakPolarHBondContact O-CG 3.47Å; K1845-R1849 PolarHBondContact O-N 2.65Å; S1846-R1849 CarbonylContact O-C 3.59Å; H1847-R1849 PolarHBondContact O-N 2.84Å; R1849-Q1851 VanDerWaalsContact C-N 3.25Å; R1849-L1853 WeakPolarHBondContact O-CA 3.41Å; R1849-L1853 WeakPolarHBondContact O-CB 3.22Å; R1849-L1853 PolarHBondContact O-N 2.76Å |
| 1850 | M | 67.7 | Low | 70.3 | Confident | 101 Ų | 101 | 93.7 Ų | 93.7 | 50% | 0.498 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72.1 | -21.7 | 171.9 | -106.9 | -176.5 | -71.3 | 0 | 0 | 111.8 | S1846 H1847 L1853 V1854 | S1846-M1850 WeakPolarHBondContact O-CA 3.32Å; S1846-M1850 VanDerWaalsContact O-CB 3.23Å; S1846-M1850 WeakPolarHBondContact O-CB 3.44Å; S1846-M1850 PolarHBondContact O-N 3.25Å; H1847-M1850 CarbonylContact O-C 3.52Å; H1847-M1850 VanDerWaalsContact O-C 3.26Å; H1847-M1850 VanDerWaalsContact O-CA 3.29Å; H1847-M1850 WeakPolarHBondContact O-CA 3.41Å; H1847-M1850 WeakPolarHBondContact O-CB 3.46Å; H1847-M1850 PolarHBondContact O-N 2.93Å; M1850-L1853 CarbonylContact O-C 3.58Å; M1850-V1854 WeakPolarHBondContact O-CA 3.37Å; M1850-V1854 WeakPolarHBondContact O-CB 3.18Å; M1850-V1854 WeakPolarHBondContact O-CG2 3.46Å; M1850-V1854 PolarHBondContact O-N 3.35Å |
| 1851 | Q | 72.7 | Confident | 70.3 | Confident | 86 Ų | 86 | 96 Ų | 96 | 40% | 0.402 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -99.8 | -34.8 | -175.1 | -169.4 | 172.7 | -2 | 0 | 0 | 109.2 | H1847 R1849 L1853 V1854 E1855 | H1847-Q1851 PolarHBondContact CD2-OE1 2.96Å; H1847-Q1851 WeakPolarHBondContact O-CA 3.29Å; H1847-Q1851 WeakPolarHBondContact O-CB 3.03Å; H1847-Q1851 PolarHBondContact O-N 3.33Å; R1849-Q1851 VanDerWaalsContact C-N 3.25Å; Q1851-L1853 VanDerWaalsContact C-N 3.31Å; Q1851-V1854 CarbonylContact O-C 3.6Å; Q1851-V1854 PolarHBondContact O-N 3.43Å; Q1851-E1855 WeakPolarHBondContact O-CA 3.35Å; Q1851-E1855 WeakPolarHBondContact O-CB 3.25Å; Q1851-E1855 VanDerWaalsContact O-CG 3.25Å; Q1851-E1855 WeakPolarHBondContact O-CG 3.38Å; Q1851-E1855 PolarHBondContact O-N 3Å |
| 1852 | E | 73.5 | Confident | 70.3 | Confident | 100 Ų | 100 | 99 Ų | 99 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 153.4 | -87.6 | -148.1 | 126.4 | 0 | 0 | 110.7 | D1848 E1855 K1856 | D1848-E1852 WeakPolarHBondContact O-CA 3.45Å; D1848-E1852 WeakPolarHBondContact O-CB 3.29Å; D1848-E1852 WeakPolarHBondContact O-CG 3.41Å; D1848-E1852 PolarHBondContact O-N 2.87Å; E1852-E1855 PolarHBondContact O-N 3.29Å; E1852-K1856 HydrophobicContact CB-CD 4.42Å; E1852-K1856 WeakPolarHBondContact O-CA 3.41Å; E1852-K1856 WeakPolarHBondContact O-CB 3.36Å; E1852-K1856 VanDerWaalsContact O-CD 3.32Å; E1852-K1856 WeakPolarHBondContact O-CD 3.45Å; E1852-K1856 WeakPolarHBondContact O-CG 3.46Å; E1852-K1856 PolarHBondContact O-N 3.27Å; E1852-K1856 WeakPolarHBondContact OE1-CE 3.5Å; E1852-K1856 IonicContact OE1-NZ 3.74Å; E1852-K1856 PolarHBondContact OE1-NZ 2.86Å; E1852-K1856 IonicContact OE2-NZ 2.75Å; E1852-K1856 PolarHBondContact OE2-NZ 3.23Å |
| 1853 | L | 66.6 | Low | 70.5 | Confident | 97 Ų | 97 | 97.4 Ų | 97.4 | 51% | 0.508 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.8 | -35.9 | 177.8 | -172.3 | 71.4 | 0 | 0 | 0 | 110.2 | R1849 M1850 Q1851 K1856 L1857 | R1849-L1853 WeakPolarHBondContact O-CA 3.41Å; R1849-L1853 WeakPolarHBondContact O-CB 3.22Å; R1849-L1853 PolarHBondContact O-N 2.76Å; M1850-L1853 CarbonylContact O-C 3.58Å; Q1851-L1853 VanDerWaalsContact C-N 3.31Å; L1853-K1856 CarbonylContact O-C 3.59Å; L1853-L1857 HydrophobicContact CD2-CD1 4.42Å; L1853-L1857 HydrophobicContact CG-CD1 3.92Å; L1853-L1857 HydrophobicContact CG-CG 4.34Å; L1853-L1857 WeakPolarHBondContact O-CA 3.27Å; L1853-L1857 WeakPolarHBondContact O-CB 3.46Å; L1853-L1857 WeakPolarHBondContact O-CD1 3.44Å; L1853-L1857 WeakPolarHBondContact O-CG 3.42Å; L1853-L1857 PolarHBondContact O-N 3.01Å |
| 1854 | V | 70.6 | Confident | 70.5 | Confident | 69 Ų | 69 | 99 Ų | 99 | 42% | 0.418 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -77 | -22.9 | 173.8 | 163.7 | 0 | 0 | 0 | 0 | 111.7 | M1850 Q1851 Q1858 | M1850-V1854 WeakPolarHBondContact O-CA 3.37Å; M1850-V1854 WeakPolarHBondContact O-CB 3.18Å; M1850-V1854 WeakPolarHBondContact O-CG2 3.46Å; M1850-V1854 PolarHBondContact O-N 3.35Å; Q1851-V1854 CarbonylContact O-C 3.6Å; Q1851-V1854 PolarHBondContact O-N 3.43Å; V1854-Q1858 HydrophobicContact CG1-CG 4.19Å; V1854-Q1858 WeakPolarHBondContact O-CA 3.4Å; V1854-Q1858 WeakPolarHBondContact O-CB 3.34Å; V1854-Q1858 WeakPolarHBondContact O-CG 3.46Å; V1854-Q1858 PolarHBondContact O-N 2.89Å |
| 1855 | E | 73.8 | Confident | 70.3 | Confident | 132 Ų | 132 | 100.2 Ų | 100.2 | 62% | 0.617 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -85.8 | -28.3 | 169.1 | -78 | -169 | 160.4 | 0 | 0 | 112.1 | Q1851 E1852 G1859 | Q1851-E1855 WeakPolarHBondContact O-CA 3.35Å; Q1851-E1855 WeakPolarHBondContact O-CB 3.25Å; Q1851-E1855 VanDerWaalsContact O-CG 3.25Å; Q1851-E1855 WeakPolarHBondContact O-CG 3.38Å; Q1851-E1855 PolarHBondContact O-N 3Å; E1852-E1855 PolarHBondContact O-N 3.29Å; E1855-G1859 WeakPolarHBondContact O-CA 3.28Å; E1855-G1859 PolarHBondContact O-N 3.38Å |
| 1856 | K | 70.6 | Confident | 70.4 | Confident | 109 Ų | 109 | 102.8 Ų | 102.8 | 47% | 0.474 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -79.1 | -23.4 | 168.3 | -69.2 | 162.4 | -169.8 | 174.4 | 0 | 110.6 | E1852 L1853 K1860 | E1852-K1856 HydrophobicContact CB-CD 4.42Å; E1852-K1856 WeakPolarHBondContact O-CA 3.41Å; E1852-K1856 WeakPolarHBondContact O-CB 3.36Å; E1852-K1856 VanDerWaalsContact O-CD 3.32Å; E1852-K1856 WeakPolarHBondContact O-CD 3.45Å; E1852-K1856 WeakPolarHBondContact O-CG 3.46Å; E1852-K1856 PolarHBondContact O-N 3.27Å; E1852-K1856 WeakPolarHBondContact OE1-CE 3.5Å; E1852-K1856 IonicContact OE1-NZ 3.74Å; E1852-K1856 PolarHBondContact OE1-NZ 2.86Å; E1852-K1856 IonicContact OE2-NZ 2.75Å; E1852-K1856 PolarHBondContact OE2-NZ 3.23Å; L1853-K1856 CarbonylContact O-C 3.59Å; K1856-K1860 WeakPolarHBondContact O-CB 3.15Å; K1856-K1860 WeakPolarHBondContact O-CD 3.12Å; K1856-K1860 WeakPolarHBondContact O-CG 3.33Å; K1856-K1860 PolarHBondContact O-N 2.98Å |
| 1857 | L | 64 | Low | 70.4 | Confident | 77 Ų | 77 | 105 Ų | 105 | 40% | 0.403 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -87.1 | -37.6 | 169.8 | -74.6 | 169.4 | 0 | 0 | 0 | 111.8 | L1853 G1859 K1860 I1861 | L1853-L1857 HydrophobicContact CD2-CD1 4.42Å; L1853-L1857 HydrophobicContact CG-CD1 3.92Å; L1853-L1857 HydrophobicContact CG-CG 4.34Å; L1853-L1857 WeakPolarHBondContact O-CA 3.27Å; L1853-L1857 WeakPolarHBondContact O-CB 3.46Å; L1853-L1857 WeakPolarHBondContact O-CD1 3.44Å; L1853-L1857 WeakPolarHBondContact O-CG 3.42Å; L1853-L1857 PolarHBondContact O-N 3.01Å; L1857-G1859 VanDerWaalsContact C-N 3.34Å; L1857-K1860 CarbonylContact O-C 3.51Å; L1857-K1860 PolarHBondContact O-N 2.86Å; L1857-I1861 WeakPolarHBondContact O-CA 3.38Å; L1857-I1861 WeakPolarHBondContact O-CB 3.39Å; L1857-I1861 VanDerWaalsContact O-CD1 3.32Å; L1857-I1861 WeakPolarHBondContact O-CD1 3.33Å; L1857-I1861 WeakPolarHBondContact O-CG1 3.11Å; L1857-I1861 PolarHBondContact O-N 2.89Å |
| 1858 | Q | 67.4 | Low | 70.2 | Confident | 113 Ų | 113 | 103.5 Ų | 103.5 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.6 | -31.3 | 169.1 | -77.9 | -177 | 16.8 | 0 | 0 | 111 | V1854 I1861 K1862 | V1854-Q1858 HydrophobicContact CG1-CG 4.19Å; V1854-Q1858 WeakPolarHBondContact O-CA 3.4Å; V1854-Q1858 WeakPolarHBondContact O-CB 3.34Å; V1854-Q1858 WeakPolarHBondContact O-CG 3.46Å; V1854-Q1858 PolarHBondContact O-N 2.89Å; Q1858-I1861 CarbonylContact O-C 3.47Å; Q1858-I1861 PolarHBondContact O-N 3.46Å; Q1858-K1862 VanDerWaalsContact O-CB 3.29Å; Q1858-K1862 WeakPolarHBondContact O-CB 3.45Å; Q1858-K1862 WeakPolarHBondContact O-CG 3.46Å; Q1858-K1862 PolarHBondContact O-N 2.96Å |
| 1859 | G | 72.5 | Confident | 70.2 | Confident | 29 Ų | 29 | 105.2 Ų | 105.2 | 30% | 0.299 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -50.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110 | E1855 L1857 I1861 K1862 T1863 | E1855-G1859 WeakPolarHBondContact O-CA 3.28Å; E1855-G1859 PolarHBondContact O-N 3.38Å; L1857-G1859 VanDerWaalsContact C-N 3.34Å; G1859-I1861 VanDerWaalsContact C-N 3.29Å; G1859-I1861 PolarHBondContact O-N 2.83Å; G1859-K1862 CarbonylContact O-C 3.57Å; G1859-K1862 PolarHBondContact O-N 3.18Å; G1859-T1863 WeakPolarHBondContact O-CB 3.32Å; G1859-T1863 PolarHBondContact O-N 3.39Å; G1859-T1863 PolarHBondContact O-OG1 3.32Å |
| 1860 | K | 67.8 | Low | 70.3 | Confident | 102 Ų | 102 | 100.1 Ų | 100.1 | 44% | 0.443 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -29.2 | 169.8 | -79.5 | 170.4 | -178.2 | 177.9 | 0 | 113.2 | K1856 L1857 T1863 Y1864 | K1856-K1860 WeakPolarHBondContact O-CB 3.15Å; K1856-K1860 WeakPolarHBondContact O-CD 3.12Å; K1856-K1860 WeakPolarHBondContact O-CG 3.33Å; K1856-K1860 PolarHBondContact O-N 2.98Å; L1857-K1860 CarbonylContact O-C 3.51Å; L1857-K1860 PolarHBondContact O-N 2.86Å; K1860-T1863 CarbonylContact O-C 3.6Å; K1860-T1863 PolarHBondContact O-N 3.46Å; K1860-Y1864 HydrophobicContact CB-CD2 4.19Å; K1860-Y1864 HydrophobicContact CB-CE2 4.08Å; K1860-Y1864 WeakPolarHBondContact O-CA 3.33Å; K1860-Y1864 WeakPolarHBondContact O-CB 3.49Å; K1860-Y1864 WeakPolarHBondContact O-CD2 3.29Å; K1860-Y1864 PolarHBondContact O-N 2.84Å |
| 1861 | I | 67.8 | Low | 70.4 | Confident | 98 Ų | 98 | 97.9 Ų | 97.9 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -82.2 | -22.9 | 176.6 | -73.6 | 160.1 | 0 | 0 | 0 | 110.5 | L1857 Q1858 G1859 K1865 | L1857-I1861 WeakPolarHBondContact O-CA 3.38Å; L1857-I1861 WeakPolarHBondContact O-CB 3.39Å; L1857-I1861 VanDerWaalsContact O-CD1 3.32Å; L1857-I1861 WeakPolarHBondContact O-CD1 3.33Å; L1857-I1861 WeakPolarHBondContact O-CG1 3.11Å; L1857-I1861 PolarHBondContact O-N 2.89Å; Q1858-I1861 CarbonylContact O-C 3.47Å; Q1858-I1861 PolarHBondContact O-N 3.46Å; G1859-I1861 VanDerWaalsContact C-N 3.29Å; G1859-I1861 PolarHBondContact O-N 2.83Å; I1861-K1865 WeakPolarHBondContact O-CA 3.08Å; I1861-K1865 WeakPolarHBondContact O-CB 3.39Å; I1861-K1865 WeakPolarHBondContact O-CG 3.37Å; I1861-K1865 PolarHBondContact O-N 2.7Å |
| 1862 | K | 72.3 | Confident | 70.2 | Confident | 157 Ų | 157 | 99.7 Ų | 99.7 | 68% | 0.683 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -78.2 | -34.5 | 164.8 | -82.8 | 179.4 | 175.7 | 173.1 | 0 | 111.6 | Q1858 G1859 R1866 | Q1858-K1862 VanDerWaalsContact O-CB 3.29Å; Q1858-K1862 WeakPolarHBondContact O-CB 3.45Å; Q1858-K1862 WeakPolarHBondContact O-CG 3.46Å; Q1858-K1862 PolarHBondContact O-N 2.96Å; G1859-K1862 CarbonylContact O-C 3.57Å; G1859-K1862 PolarHBondContact O-N 3.18Å; K1862-R1866 WeakPolarHBondContact O-CA 3.47Å; K1862-R1866 WeakPolarHBondContact O-CB 3.4Å; K1862-R1866 PolarHBondContact O-N 3.46Å |
| 1863 | T | 71.2 | Confident | 70.2 | Confident | 75 Ų | 75 | 100.8 Ų | 100.8 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.5 | -31.1 | 172.1 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | G1859 K1860 Q1867 | G1859-T1863 WeakPolarHBondContact O-CB 3.32Å; G1859-T1863 PolarHBondContact O-N 3.39Å; G1859-T1863 PolarHBondContact O-OG1 3.32Å; K1860-T1863 CarbonylContact O-C 3.6Å; K1860-T1863 PolarHBondContact O-N 3.46Å; T1863-Q1867 WeakPolarHBondContact O-CB 3.48Å; T1863-Q1867 WeakPolarHBondContact O-CG 3.25Å; T1863-Q1867 PolarHBondContact O-N 2.73Å |
| 1864 | Y | 70.4 | Confident | 70.5 | Confident | 122 Ų | 122 | 101 Ų | 101 | 48% | 0.478 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -82.5 | -36 | 173.2 | -69.2 | -38 | 0 | 0 | 0 | 111.3 | K1860 Q1867 V1868 | K1860-Y1864 HydrophobicContact CB-CD2 4.19Å; K1860-Y1864 HydrophobicContact CB-CE2 4.08Å; K1860-Y1864 WeakPolarHBondContact O-CA 3.33Å; K1860-Y1864 WeakPolarHBondContact O-CB 3.49Å; K1860-Y1864 WeakPolarHBondContact O-CD2 3.29Å; K1860-Y1864 PolarHBondContact O-N 2.84Å; Y1864-Q1867 CarbonylContact O-C 3.55Å; Y1864-Q1867 PolarHBondContact O-N 2.72Å; Y1864-V1868 WeakPolarHBondContact O-CA 3.38Å; Y1864-V1868 WeakPolarHBondContact O-CB 3.23Å; Y1864-V1868 WeakPolarHBondContact O-CG2 3.47Å; Y1864-V1868 PolarHBondContact O-N 3.47Å |
| 1865 | K | 69.3 | Low | 70.5 | Confident | 132 Ų | 132 | 100.1 Ų | 100.1 | 57% | 0.574 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.3 | -47 | 164.5 | -90.7 | -154.4 | 163.8 | -151.3 | 0 | 109.6 | I1861 Q1867 V1868 E1869 | I1861-K1865 WeakPolarHBondContact O-CA 3.08Å; I1861-K1865 WeakPolarHBondContact O-CB 3.39Å; I1861-K1865 WeakPolarHBondContact O-CG 3.37Å; I1861-K1865 PolarHBondContact O-N 2.7Å; K1865-Q1867 VanDerWaalsContact C-N 3.33Å; K1865-Q1867 PolarHBondContact O-N 2.75Å; K1865-V1868 CarbonylContact O-C 3.35Å; K1865-V1868 PolarHBondContact O-N 2.79Å; K1865-V1868 VanDerWaalsContact O-N 3.12Å; K1865-E1869 WeakPolarHBondContact O-CA 3.25Å; K1865-E1869 WeakPolarHBondContact O-CB 3.41Å; K1865-E1869 WeakPolarHBondContact O-CG 3.34Å; K1865-E1869 PolarHBondContact O-N 2.64Å |
| 1866 | R | 73.6 | Confident | 70.4 | Confident | 154 Ų | 154 | 96.5 Ų | 96.5 | 58% | 0.581 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.9 | -32.4 | 175 | -176.6 | 174.3 | 166.1 | 146.1 | 11.5 | 113 | K1862 E1870 | K1862-R1866 WeakPolarHBondContact O-CA 3.47Å; K1862-R1866 WeakPolarHBondContact O-CB 3.4Å; K1862-R1866 PolarHBondContact O-N 3.46Å; R1866-E1870 HydrophobicContact CG-CG 4.24Å; R1866-E1870 IonicContact CZ-OE1 2.69Å; R1866-E1870 IonicContact NE-OE1 3.82Å; R1866-E1870 PolarHBondContact NE-OE1 2.99Å; R1866-E1870 IonicContact NH2-OE1 3.21Å; R1866-E1870 PolarHBondContact NH2-OE1 2.88Å; R1866-E1870 WeakPolarHBondContact O-CA 3.39Å; R1866-E1870 WeakPolarHBondContact O-CB 3.27Å; R1866-E1870 WeakPolarHBondContact O-CG 3.41Å; R1866-E1870 PolarHBondContact O-N 2.85Å |
| 1867 | Q | 69.3 | Low | 70.6 | Confident | 100 Ų | 100 | 94.7 Ų | 94.7 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -79.2 | -21.8 | 173 | -78.6 | 170 | -0.5 | 0 | 0 | 112.8 | T1863 Y1864 K1865 A1871 | T1863-Q1867 WeakPolarHBondContact O-CB 3.48Å; T1863-Q1867 WeakPolarHBondContact O-CG 3.25Å; T1863-Q1867 PolarHBondContact O-N 2.73Å; Y1864-Q1867 CarbonylContact O-C 3.55Å; Y1864-Q1867 PolarHBondContact O-N 2.72Å; K1865-Q1867 VanDerWaalsContact C-N 3.33Å; K1865-Q1867 PolarHBondContact O-N 2.75Å; Q1867-A1871 WeakPolarHBondContact O-CA 3.24Å; Q1867-A1871 WeakPolarHBondContact O-CB 3.16Å; Q1867-A1871 PolarHBondContact O-N 3.23Å |
| 1868 | V | 69.4 | Low | 71 | Confident | 74 Ų | 74 | 95 Ų | 95 | 45% | 0.448 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -82.8 | -35.7 | 171 | 166 | 0 | 0 | 0 | 0 | 109.9 | Y1864 K1865 A1871 E1872 | Y1864-V1868 WeakPolarHBondContact O-CA 3.38Å; Y1864-V1868 WeakPolarHBondContact O-CB 3.23Å; Y1864-V1868 WeakPolarHBondContact O-CG2 3.47Å; Y1864-V1868 PolarHBondContact O-N 3.47Å; K1865-V1868 CarbonylContact O-C 3.35Å; K1865-V1868 PolarHBondContact O-N 2.79Å; K1865-V1868 VanDerWaalsContact O-N 3.12Å; V1868-A1871 CarbonylContact O-C 3.48Å; V1868-A1871 PolarHBondContact O-N 2.99Å; V1868-E1872 HydrophobicContact CG1-CG 4.21Å; V1868-E1872 WeakPolarHBondContact O-CA 3.3Å; V1868-E1872 WeakPolarHBondContact O-CB 3.27Å; V1868-E1872 WeakPolarHBondContact O-CG 3.47Å; V1868-E1872 PolarHBondContact O-N 3.42Å |
| 1869 | E | 72.6 | Confident | 71.2 | Confident | 102 Ų | 102 | 93.7 Ų | 93.7 | 48% | 0.477 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.1 | -41.9 | 172.2 | -71.8 | 157.3 | -169.6 | 0 | 0 | 109.7 | K1865 E1872 E1873 | K1865-E1869 WeakPolarHBondContact O-CA 3.25Å; K1865-E1869 WeakPolarHBondContact O-CB 3.41Å; K1865-E1869 WeakPolarHBondContact O-CG 3.34Å; K1865-E1869 PolarHBondContact O-N 2.64Å; E1869-E1872 PolarHBondContact O-N 2.65Å; E1869-E1873 WeakPolarHBondContact O-CA 3.12Å; E1869-E1873 WeakPolarHBondContact O-CB 3.32Å; E1869-E1873 PolarHBondContact O-N 2.87Å |
| 1870 | E | 72.9 | Confident | 71.2 | Confident | 74 Ų | 74 | 95 Ų | 95 | 35% | 0.346 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.7 | -31 | 169.2 | -73.9 | 171.7 | 179.3 | 0 | 0 | 110.9 | R1866 I1874 | R1866-E1870 HydrophobicContact CG-CG 4.24Å; R1866-E1870 IonicContact CZ-OE1 2.69Å; R1866-E1870 IonicContact NE-OE1 3.82Å; R1866-E1870 PolarHBondContact NE-OE1 2.99Å; R1866-E1870 IonicContact NH2-OE1 3.21Å; R1866-E1870 PolarHBondContact NH2-OE1 2.88Å; R1866-E1870 WeakPolarHBondContact O-CA 3.39Å; R1866-E1870 WeakPolarHBondContact O-CB 3.27Å; R1866-E1870 WeakPolarHBondContact O-CG 3.41Å; R1866-E1870 PolarHBondContact O-N 2.85Å; E1870-I1874 WeakPolarHBondContact O-CA 3.29Å; E1870-I1874 WeakPolarHBondContact O-CB 3.18Å; E1870-I1874 WeakPolarHBondContact O-CD1 3.38Å; E1870-I1874 WeakPolarHBondContact O-CG1 3.39Å; E1870-I1874 PolarHBondContact O-N 2.85Å |
| 1871 | A | 70.8 | Confident | 71.5 | Confident | 54 Ų | 54 | 95.4 Ų | 95.4 | 45% | 0.446 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -80.1 | -24.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1867 V1868 A1875 | Q1867-A1871 WeakPolarHBondContact O-CA 3.24Å; Q1867-A1871 WeakPolarHBondContact O-CB 3.16Å; Q1867-A1871 PolarHBondContact O-N 3.23Å; V1868-A1871 CarbonylContact O-C 3.48Å; V1868-A1871 PolarHBondContact O-N 2.99Å; A1871-A1875 WeakPolarHBondContact O-CA 3.26Å; A1871-A1875 WeakPolarHBondContact O-CB 3.05Å; A1871-A1875 PolarHBondContact O-N 3.2Å |
| 1872 | E | 68.1 | Low | 71.7 | Confident | 123 Ų | 123 | 97.6 Ų | 97.6 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -84.5 | -30.7 | 173.7 | -82.4 | 177.3 | 179.7 | 0 | 0 | 110.2 | V1868 E1869 A1875 A1876 | V1868-E1872 HydrophobicContact CG1-CG 4.21Å; V1868-E1872 WeakPolarHBondContact O-CA 3.3Å; V1868-E1872 WeakPolarHBondContact O-CB 3.27Å; V1868-E1872 WeakPolarHBondContact O-CG 3.47Å; V1868-E1872 PolarHBondContact O-N 3.42Å; E1869-E1872 PolarHBondContact O-N 2.65Å; E1872-A1875 CarbonylContact O-C 3.33Å; E1872-A1876 WeakPolarHBondContact O-CA 3.28Å; E1872-A1876 WeakPolarHBondContact O-CB 3.16Å; E1872-A1876 PolarHBondContact O-N 2.79Å |
| 1873 | E | 73.1 | Confident | 71.8 | Confident | 124 Ų | 124 | 98 Ų | 98 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -75.9 | -42.2 | 168.7 | -173.7 | 176 | -128.7 | 0 | 0 | 109.6 | E1869 A1875 A1876 I1877 | E1869-E1873 WeakPolarHBondContact O-CA 3.12Å; E1869-E1873 WeakPolarHBondContact O-CB 3.32Å; E1869-E1873 PolarHBondContact O-N 2.87Å; E1873-A1875 VanDerWaalsContact C-N 3.33Å; E1873-A1875 PolarHBondContact O-N 3.34Å; E1873-A1876 PolarHBondContact O-N 3.35Å; E1873-I1877 HydrophobicContact CG-CD1 3.86Å; E1873-I1877 HydrophobicContact CG-CG1 4.4Å; E1873-I1877 WeakPolarHBondContact O-CA 3.07Å; E1873-I1877 WeakPolarHBondContact O-CB 3.21Å; E1873-I1877 WeakPolarHBondContact O-CD1 3.19Å; E1873-I1877 WeakPolarHBondContact O-CG1 3.36Å; E1873-I1877 PolarHBondContact O-N 2.8Å |
| 1874 | I | 73 | Confident | 72 | Confident | 100 Ų | 100 | 100.5 Ų | 100.5 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 167.8 | -72.4 | 165.6 | 0 | 0 | 0 | 110.4 | E1870 N1878 | E1870-I1874 WeakPolarHBondContact O-CA 3.29Å; E1870-I1874 WeakPolarHBondContact O-CB 3.18Å; E1870-I1874 WeakPolarHBondContact O-CD1 3.38Å; E1870-I1874 WeakPolarHBondContact O-CG1 3.39Å; E1870-I1874 PolarHBondContact O-N 2.85Å; I1874-N1878 WeakPolarHBondContact CG2-ND2 3.3Å; I1874-N1878 WeakPolarHBondContact O-CA 3.37Å; I1874-N1878 WeakPolarHBondContact O-CB 3.41Å; I1874-N1878 PolarHBondContact O-N 3.25Å; I1874-N1878 PolarHBondContact O-ND2 2.91Å; I1874-N1878 VanDerWaalsContact O-ND2 3.11Å |
| 1875 | A | 70.2 | Confident | 72.1 | Confident | 52 Ų | 52 | 98.6 Ų | 98.6 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73 | -31.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1871 E1872 E1873 N1878 L1879 | A1871-A1875 WeakPolarHBondContact O-CA 3.26Å; A1871-A1875 WeakPolarHBondContact O-CB 3.05Å; A1871-A1875 PolarHBondContact O-N 3.2Å; E1872-A1875 CarbonylContact O-C 3.33Å; E1873-A1875 VanDerWaalsContact C-N 3.33Å; E1873-A1875 PolarHBondContact O-N 3.34Å; A1875-N1878 CarbonylContact O-C 3.05Å; A1875-N1878 PolarHBondContact O-N 2.97Å; A1875-L1879 WeakPolarHBondContact O-CA 3.29Å; A1875-L1879 WeakPolarHBondContact O-CB 3.41Å; A1875-L1879 PolarHBondContact O-N 3.5Å |
| 1876 | A | 72.7 | Confident | 72.3 | Confident | 55 Ų | 55 | 95.8 Ų | 95.8 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -79.8 | -32.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | E1872 E1873 L1879 A1880 | E1872-A1876 WeakPolarHBondContact O-CA 3.28Å; E1872-A1876 WeakPolarHBondContact O-CB 3.16Å; E1872-A1876 PolarHBondContact O-N 2.79Å; E1873-A1876 PolarHBondContact O-N 3.35Å; A1876-L1879 CarbonylContact O-C 3.56Å; A1876-L1879 PolarHBondContact O-N 3.04Å; A1876-A1880 WeakPolarHBondContact O-CA 3.41Å; A1876-A1880 WeakPolarHBondContact O-CB 3.34Å; A1876-A1880 PolarHBondContact O-N 2.69Å |
| 1877 | I | 75.3 | Confident | 72.4 | Confident | 72 Ų | 72 | 93.8 Ų | 93.8 | 37% | 0.369 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 166.4 | -71.6 | 167.7 | 0 | 0 | 0 | 109.5 | E1873 K1881 | E1873-I1877 HydrophobicContact CG-CD1 3.86Å; E1873-I1877 HydrophobicContact CG-CG1 4.4Å; E1873-I1877 WeakPolarHBondContact O-CA 3.07Å; E1873-I1877 WeakPolarHBondContact O-CB 3.21Å; E1873-I1877 WeakPolarHBondContact O-CD1 3.19Å; E1873-I1877 WeakPolarHBondContact O-CG1 3.36Å; E1873-I1877 PolarHBondContact O-N 2.8Å; I1877-K1881 HydrophobicContact CG2-CD 3.92Å; I1877-K1881 WeakPolarHBondContact O-CB 3.49Å; I1877-K1881 WeakPolarHBondContact O-CD 3.46Å; I1877-K1881 WeakPolarHBondContact O-CG 3.48Å; I1877-K1881 PolarHBondContact O-N 3.46Å |
| 1878 | N | 71.9 | Confident | 72.7 | Confident | 83 Ų | 83 | 93.1 Ų | 93.1 | 44% | 0.444 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -76 | -26.4 | 173.8 | -73.2 | -26.6 | 0 | 0 | 0 | 112.5 | I1874 A1875 Y1882 | I1874-N1878 WeakPolarHBondContact CG2-ND2 3.3Å; I1874-N1878 WeakPolarHBondContact O-CA 3.37Å; I1874-N1878 WeakPolarHBondContact O-CB 3.41Å; I1874-N1878 PolarHBondContact O-N 3.25Å; I1874-N1878 PolarHBondContact O-ND2 2.91Å; I1874-N1878 VanDerWaalsContact O-ND2 3.11Å; A1875-N1878 CarbonylContact O-C 3.05Å; A1875-N1878 PolarHBondContact O-N 2.97Å; N1878-Y1882 WeakPolarHBondContact O-CA 3.36Å; N1878-Y1882 WeakPolarHBondContact O-CB 3.31Å; N1878-Y1882 PolarHBondContact O-N 3.07Å |
| 1879 | L | 71.1 | Confident | 72.9 | Confident | 86 Ų | 86 | 93.5 Ų | 93.5 | 45% | 0.45 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -83.3 | -28.7 | 173.9 | -163.9 | 80.7 | 0 | 0 | 0 | 110.5 | A1875 A1876 R1883 | A1875-L1879 WeakPolarHBondContact O-CA 3.29Å; A1875-L1879 WeakPolarHBondContact O-CB 3.41Å; A1875-L1879 PolarHBondContact O-N 3.5Å; A1876-L1879 CarbonylContact O-C 3.56Å; A1876-L1879 PolarHBondContact O-N 3.04Å; L1879-R1883 WeakPolarHBondContact O-CA 3.43Å; L1879-R1883 WeakPolarHBondContact O-CB 3.38Å; L1879-R1883 WeakPolarHBondContact O-CG 3.44Å; L1879-R1883 PolarHBondContact O-N 2.89Å |
| 1880 | A | 73.1 | Confident | 73 | Confident | 56 Ų | 56 | 92.9 Ų | 92.9 | 46% | 0.463 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -76.3 | -36.8 | 169 | 0 | 0 | 0 | 0 | 0 | 110.6 | A1876 K1884 | A1876-A1880 WeakPolarHBondContact O-CA 3.41Å; A1876-A1880 WeakPolarHBondContact O-CB 3.34Å; A1876-A1880 PolarHBondContact O-N 2.69Å; A1880-K1884 WeakPolarHBondContact O-CA 3.19Å; A1880-K1884 WeakPolarHBondContact O-CB 3.3Å; A1880-K1884 PolarHBondContact O-N 3.26Å |
| 1881 | K | 73.4 | Confident | 73.2 | Confident | 110 Ų | 110 | 92.7 Ų | 92.7 | 48% | 0.478 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69 | -36.3 | 167.1 | -74.9 | 166.9 | -176.5 | 170.1 | 0 | 111.4 | I1877 K1884 I1885 | I1877-K1881 HydrophobicContact CG2-CD 3.92Å; I1877-K1881 WeakPolarHBondContact O-CB 3.49Å; I1877-K1881 WeakPolarHBondContact O-CD 3.46Å; I1877-K1881 WeakPolarHBondContact O-CG 3.48Å; I1877-K1881 PolarHBondContact O-N 3.46Å; K1881-K1884 PolarHBondContact O-N 3.24Å; K1881-I1885 WeakPolarHBondContact O-CB 3.39Å; K1881-I1885 WeakPolarHBondContact O-CD1 3.29Å; K1881-I1885 WeakPolarHBondContact O-CG1 3.43Å; K1881-I1885 PolarHBondContact O-N 2.93Å |
| 1882 | Y | 72 | Confident | 73.4 | Confident | 145 Ų | 145 | 92.2 Ų | 92.2 | 57% | 0.569 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.6 | -42.6 | 174.5 | -176.5 | -88 | 0 | 0 | 0 | 110.6 | N1878 I1885 Q1886 | N1878-Y1882 WeakPolarHBondContact O-CA 3.36Å; N1878-Y1882 WeakPolarHBondContact O-CB 3.31Å; N1878-Y1882 PolarHBondContact O-N 3.07Å; Y1882-I1885 CarbonylContact O-C 3.45Å; Y1882-I1885 PolarHBondContact O-N 2.63Å; Y1882-Q1886 HydrophobicContact CE1-CB 4.45Å; Y1882-Q1886 WeakPolarHBondContact O-CA 3.48Å; Y1882-Q1886 WeakPolarHBondContact O-CB 3.34Å; Y1882-Q1886 PolarHBondContact O-N 2.88Å |
| 1883 | R | 73.9 | Confident | 73.6 | Confident | 164 Ų | 164 | 92.1 Ų | 92.1 | 62% | 0.619 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.9 | -33.7 | 171.8 | -76.2 | 176.1 | -170.3 | -169.4 | 5.5 | 112.1 | L1879 H1887 | L1879-R1883 WeakPolarHBondContact O-CA 3.43Å; L1879-R1883 WeakPolarHBondContact O-CB 3.38Å; L1879-R1883 WeakPolarHBondContact O-CG 3.44Å; L1879-R1883 PolarHBondContact O-N 2.89Å; R1883-H1887 WeakPolarHBondContact O-CB 3.5Å; R1883-H1887 PolarHBondContact O-N 2.95Å |
| 1884 | K | 75.8 | Confident | 73.6 | Confident | 129 Ų | 129 | 92 Ų | 92 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -74.9 | -37.3 | 174.9 | -170.2 | 174.3 | -168.2 | -75.6 | 0 | 111.4 | A1880 K1881 H1887 E1888 | A1880-K1884 WeakPolarHBondContact O-CA 3.19Å; A1880-K1884 WeakPolarHBondContact O-CB 3.3Å; A1880-K1884 PolarHBondContact O-N 3.26Å; K1881-K1884 PolarHBondContact O-N 3.24Å; K1884-H1887 PolarHBondContact O-N 3.28Å; K1884-E1888 HydrophobicContact CG-CG 4.46Å; K1884-E1888 IonicContact NZ-OE1 3.71Å; K1884-E1888 PolarHBondContact NZ-OE1 2.92Å; K1884-E1888 WeakPolarHBondContact O-CA 3.48Å; K1884-E1888 WeakPolarHBondContact O-CB 3.34Å; K1884-E1888 WeakPolarHBondContact O-CG 3.31Å; K1884-E1888 PolarHBondContact O-N 2.86Å |
| 1885 | I | 73.5 | Confident | 73.8 | Confident | 82 Ų | 82 | 94.4 Ų | 94.4 | 42% | 0.421 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.2 | -36.2 | 170.9 | -72.5 | 165.7 | 0 | 0 | 0 | 110.2 | K1881 Y1882 E1888 I1889 | K1881-I1885 WeakPolarHBondContact O-CB 3.39Å; K1881-I1885 WeakPolarHBondContact O-CD1 3.29Å; K1881-I1885 WeakPolarHBondContact O-CG1 3.43Å; K1881-I1885 PolarHBondContact O-N 2.93Å; Y1882-I1885 CarbonylContact O-C 3.45Å; Y1882-I1885 PolarHBondContact O-N 2.63Å; I1885-E1888 PolarHBondContact O-N 2.61Å; I1885-I1889 HydrophobicContact CG2-CD1 3.75Å; I1885-I1889 HydrophobicContact CG2-CG1 4.39Å; I1885-I1889 WeakPolarHBondContact O-CA 3.38Å; I1885-I1889 WeakPolarHBondContact O-CB 3.4Å; I1885-I1889 WeakPolarHBondContact O-CD1 3.45Å; I1885-I1889 WeakPolarHBondContact O-CG1 3.44Å; I1885-I1889 PolarHBondContact O-N 3.31Å |
| 1886 | Q | 71.8 | Confident | 73.9 | Confident | 73 Ų | 73 | 94.1 Ų | 94.1 | 34% | 0.341 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.7 | -38.3 | 174.5 | 179.5 | -178.6 | -11.1 | 0 | 0 | 110.4 | Y1882 I1889 E1890 | Y1882-Q1886 HydrophobicContact CE1-CB 4.45Å; Y1882-Q1886 WeakPolarHBondContact O-CA 3.48Å; Y1882-Q1886 WeakPolarHBondContact O-CB 3.34Å; Y1882-Q1886 PolarHBondContact O-N 2.88Å; Q1886-I1889 CarbonylContact O-C 2.88Å; Q1886-I1889 PolarHBondContact O-N 2.84Å; Q1886-E1890 HydrophobicContact CG-CG 4.35Å; Q1886-E1890 VanDerWaalsContact CG-OE1 3.29Å; Q1886-E1890 WeakPolarHBondContact CG-OE1 3.34Å; Q1886-E1890 PolarHBondContact NE2-OE1 2.81Å; Q1886-E1890 VanDerWaalsContact O-CB 3.23Å; Q1886-E1890 WeakPolarHBondContact O-CB 3.43Å; Q1886-E1890 WeakPolarHBondContact O-CG 3.31Å; Q1886-E1890 PolarHBondContact O-N 3.25Å |
| 1887 | H | 76.6 | Confident | 73.9 | Confident | 112 Ų | 112 | 96.2 Ų | 96.2 | 52% | 0.519 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -78.4 | -27.7 | 174.6 | -158 | -27.7 | 0 | 0 | 0 | 111.5 | R1883 K1884 D1891 | R1883-H1887 WeakPolarHBondContact O-CB 3.5Å; R1883-H1887 PolarHBondContact O-N 2.95Å; K1884-H1887 PolarHBondContact O-N 3.28Å; H1887-D1891 IonicContact CE1-OD1 3.53Å; H1887-D1891 PolarHBondContact CE1-OD1 3.41Å; H1887-D1891 IonicContact ND1-OD1 3.03Å; H1887-D1891 PolarHBondContact ND1-OD1 2.89Å; H1887-D1891 IonicContact ND1-OD2 3.67Å; H1887-D1891 WeakPolarHBondContact O-CA 3.27Å; H1887-D1891 WeakPolarHBondContact O-CB 3.34Å; H1887-D1891 PolarHBondContact O-N 2.7Å; H1887-D1891 VanDerWaalsContact O-OD1 3.09Å |
| 1888 | E | 75.9 | Confident | 73.8 | Confident | 86 Ų | 86 | 98.1 Ų | 98.1 | 40% | 0.402 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.3 | -30.4 | 168 | -78.7 | 165.5 | -174.4 | 0 | 0 | 111.4 | K1884 I1885 A1892 | K1884-E1888 HydrophobicContact CG-CG 4.46Å; K1884-E1888 IonicContact NZ-OE1 3.71Å; K1884-E1888 PolarHBondContact NZ-OE1 2.92Å; K1884-E1888 WeakPolarHBondContact O-CA 3.48Å; K1884-E1888 WeakPolarHBondContact O-CB 3.34Å; K1884-E1888 WeakPolarHBondContact O-CG 3.31Å; K1884-E1888 PolarHBondContact O-N 2.86Å; I1885-E1888 PolarHBondContact O-N 2.61Å; E1888-A1892 WeakPolarHBondContact O-CB 3.31Å; E1888-A1892 PolarHBondContact O-N 3.45Å |
| 1889 | I | 73.4 | Confident | 73.9 | Confident | 82 Ų | 82 | 96.7 Ų | 96.7 | 42% | 0.421 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -76 | -44.1 | 170.6 | -75.7 | 167.1 | 0 | 0 | 0 | 110.1 | I1885 Q1886 D1891 A1892 E1893 | I1885-I1889 HydrophobicContact CG2-CD1 3.75Å; I1885-I1889 HydrophobicContact CG2-CG1 4.39Å; I1885-I1889 WeakPolarHBondContact O-CA 3.38Å; I1885-I1889 WeakPolarHBondContact O-CB 3.4Å; I1885-I1889 WeakPolarHBondContact O-CD1 3.45Å; I1885-I1889 WeakPolarHBondContact O-CG1 3.44Å; I1885-I1889 PolarHBondContact O-N 3.31Å; Q1886-I1889 CarbonylContact O-C 2.88Å; Q1886-I1889 PolarHBondContact O-N 2.84Å; I1889-D1891 VanDerWaalsContact C-N 3.33Å; I1889-A1892 CarbonylContact O-C 3.34Å; I1889-A1892 WeakPolarHBondContact O-CA 3.18Å; I1889-A1892 PolarHBondContact O-N 3.16Å; I1889-A1892 VanDerWaalsContact O-N 3.07Å; I1889-E1893 HydrophobicContact CG2-CG 4.1Å; I1889-E1893 WeakPolarHBondContact O-CA 3.34Å; I1889-E1893 WeakPolarHBondContact O-CB 3.37Å; I1889-E1893 VanDerWaalsContact O-CG 3.28Å; I1889-E1893 WeakPolarHBondContact O-CG 3.42Å; I1889-E1893 PolarHBondContact O-N 2.99Å |
| 1890 | E | 75.3 | Confident | 73.9 | Confident | 88 Ų | 88 | 97.8 Ų | 97.8 | 41% | 0.411 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.6 | -32.2 | 176.3 | -74.9 | 165.5 | -174.6 | 0 | 0 | 110.3 | Q1886 E1894 | Q1886-E1890 HydrophobicContact CG-CG 4.35Å; Q1886-E1890 VanDerWaalsContact CG-OE1 3.29Å; Q1886-E1890 WeakPolarHBondContact CG-OE1 3.34Å; Q1886-E1890 PolarHBondContact NE2-OE1 2.81Å; Q1886-E1890 VanDerWaalsContact O-CB 3.23Å; Q1886-E1890 WeakPolarHBondContact O-CB 3.43Å; Q1886-E1890 WeakPolarHBondContact O-CG 3.31Å; Q1886-E1890 PolarHBondContact O-N 3.25Å; E1890-E1894 WeakPolarHBondContact O-CA 3.45Å; E1890-E1894 WeakPolarHBondContact O-CB 3.39Å; E1890-E1894 WeakPolarHBondContact O-CG 3.39Å; E1890-E1894 PolarHBondContact O-N 2.83Å |
| 1891 | D | 76.2 | Confident | 73.9 | Confident | 71 Ų | 71 | 99.4 Ų | 99.4 | 38% | 0.38 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -73.5 | -29.7 | 167.6 | -76.9 | 12.4 | 0 | 0 | 0 | 111.6 | H1887 I1889 R1895 | H1887-D1891 IonicContact CE1-OD1 3.53Å; H1887-D1891 PolarHBondContact CE1-OD1 3.41Å; H1887-D1891 IonicContact ND1-OD1 3.03Å; H1887-D1891 PolarHBondContact ND1-OD1 2.89Å; H1887-D1891 IonicContact ND1-OD2 3.67Å; H1887-D1891 WeakPolarHBondContact O-CA 3.27Å; H1887-D1891 WeakPolarHBondContact O-CB 3.34Å; H1887-D1891 PolarHBondContact O-N 2.7Å; H1887-D1891 VanDerWaalsContact O-OD1 3.09Å; I1889-D1891 VanDerWaalsContact C-N 3.33Å; D1891-R1895 WeakPolarHBondContact O-CB 3.4Å; D1891-R1895 WeakPolarHBondContact O-CG 3.49Å; D1891-R1895 PolarHBondContact O-N 2.84Å; D1891-R1895 PolarHBondContact O-NE 2.8Å |
| 1892 | A | 75.1 | Confident | 73.8 | Confident | 44 Ų | 44 | 96.4 Ų | 96.4 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -83.3 | -25.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1888 I1889 A1896 | E1888-A1892 WeakPolarHBondContact O-CB 3.31Å; E1888-A1892 PolarHBondContact O-N 3.45Å; I1889-A1892 CarbonylContact O-C 3.34Å; I1889-A1892 WeakPolarHBondContact O-CA 3.18Å; I1889-A1892 PolarHBondContact O-N 3.16Å; I1889-A1892 VanDerWaalsContact O-N 3.07Å; A1892-A1896 WeakPolarHBondContact O-CA 3.34Å; A1892-A1896 WeakPolarHBondContact O-CB 3.47Å; A1892-A1896 PolarHBondContact O-N 3.07Å |
| 1893 | E | 71.8 | Confident | 73.7 | Confident | 121 Ų | 121 | 93.3 Ų | 93.3 | 57% | 0.565 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -82.6 | -39.7 | 171.8 | -75.4 | -178.5 | 170.6 | 0 | 0 | 108.8 | I1889 A1896 D1897 | I1889-E1893 HydrophobicContact CG2-CG 4.1Å; I1889-E1893 WeakPolarHBondContact O-CA 3.34Å; I1889-E1893 WeakPolarHBondContact O-CB 3.37Å; I1889-E1893 VanDerWaalsContact O-CG 3.28Å; I1889-E1893 WeakPolarHBondContact O-CG 3.42Å; I1889-E1893 PolarHBondContact O-N 2.99Å; E1893-A1896 CarbonylContact O-C 3.55Å; E1893-A1896 PolarHBondContact O-N 3.26Å; E1893-D1897 WeakPolarHBondContact O-CA 3.48Å; E1893-D1897 WeakPolarHBondContact O-CB 3.34Å; E1893-D1897 PolarHBondContact O-N 2.81Å |
| 1894 | E | 74.6 | Confident | 73.4 | Confident | 122 Ų | 122 | 91 Ų | 91 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64 | -41.2 | 164.1 | -87.7 | -133.8 | 162.5 | 0 | 0 | 111 | E1890 A1896 D1897 Q1898 | E1890-E1894 WeakPolarHBondContact O-CA 3.45Å; E1890-E1894 WeakPolarHBondContact O-CB 3.39Å; E1890-E1894 WeakPolarHBondContact O-CG 3.39Å; E1890-E1894 PolarHBondContact O-N 2.83Å; E1894-A1896 VanDerWaalsContact C-N 3.33Å; E1894-D1897 PolarHBondContact O-N 2.94Å; E1894-Q1898 WeakPolarHBondContact O-CA 3.32Å; E1894-Q1898 WeakPolarHBondContact O-CB 3.31Å; E1894-Q1898 WeakPolarHBondContact O-CG 3.45Å; E1894-Q1898 PolarHBondContact O-N 3.44Å; E1894-Q1898 PolarHBondContact OE2-NE2 3.4Å |
| 1895 | R | 75.5 | Confident | 72.9 | Confident | 149 Ų | 149 | 90.7 Ų | 90.7 | 56% | 0.562 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -70.7 | -28.5 | 173.1 | -78 | 172.5 | -66.6 | 154.8 | 3.2 | 112.2 | D1891 A1899 | D1891-R1895 WeakPolarHBondContact O-CB 3.4Å; D1891-R1895 WeakPolarHBondContact O-CG 3.49Å; D1891-R1895 PolarHBondContact O-N 2.84Å; D1891-R1895 PolarHBondContact O-NE 2.8Å; R1895-A1899 WeakPolarHBondContact O-CA 3.49Å; R1895-A1899 WeakPolarHBondContact O-CB 3.47Å; R1895-A1899 PolarHBondContact O-N 3.45Å |
| 1896 | A | 73.2 | Confident | 72.3 | Confident | 46 Ų | 46 | 91.1 Ų | 91.1 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -77.1 | -33.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1892 E1893 E1894 A1899 E1900 | A1892-A1896 WeakPolarHBondContact O-CA 3.34Å; A1892-A1896 WeakPolarHBondContact O-CB 3.47Å; A1892-A1896 PolarHBondContact O-N 3.07Å; E1893-A1896 CarbonylContact O-C 3.55Å; E1893-A1896 PolarHBondContact O-N 3.26Å; E1894-A1896 VanDerWaalsContact C-N 3.33Å; A1896-A1899 CarbonylContact O-C 3.49Å; A1896-E1900 WeakPolarHBondContact O-CA 3.4Å; A1896-E1900 WeakPolarHBondContact O-CB 3.4Å; A1896-E1900 VanDerWaalsContact O-CG 3.26Å; A1896-E1900 WeakPolarHBondContact O-CG 3.48Å; A1896-E1900 PolarHBondContact O-N 2.85Å |
| 1897 | D | 72.2 | Confident | 71.9 | Confident | 99 Ų | 99 | 95.5 Ų | 95.5 | 53% | 0.529 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -80.4 | -32.9 | 174 | -94.6 | 11.9 | 0 | 0 | 0 | 111 | E1893 E1894 Q1901 | E1893-D1897 WeakPolarHBondContact O-CA 3.48Å; E1893-D1897 WeakPolarHBondContact O-CB 3.34Å; E1893-D1897 PolarHBondContact O-N 2.81Å; E1894-D1897 PolarHBondContact O-N 2.94Å; D1897-Q1901 WeakPolarHBondContact O-CA 3.44Å; D1897-Q1901 WeakPolarHBondContact O-CB 3.19Å; D1897-Q1901 WeakPolarHBondContact O-CG 3.29Å; D1897-Q1901 PolarHBondContact O-N 3.44Å |
| 1898 | Q | 74.6 | Confident | 70.9 | Confident | 113 Ų | 113 | 92.7 Ų | 92.7 | 53% | 0.528 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.5 | -35 | 168.3 | -71.1 | 177.2 | 38.5 | 0 | 0 | 109.9 | E1894 A1902 | E1894-Q1898 WeakPolarHBondContact O-CA 3.32Å; E1894-Q1898 WeakPolarHBondContact O-CB 3.31Å; E1894-Q1898 WeakPolarHBondContact O-CG 3.45Å; E1894-Q1898 PolarHBondContact O-N 3.44Å; E1894-Q1898 PolarHBondContact OE2-NE2 3.4Å; Q1898-A1902 WeakPolarHBondContact O-CA 3.22Å; Q1898-A1902 WeakPolarHBondContact O-CB 3.08Å; Q1898-A1902 PolarHBondContact O-N 2.8Å |
| 1899 | A | 73 | Confident | 69.8 | Low | 53 Ų | 53 | 95.1 Ų | 95.1 | 44% | 0.438 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.6 | -41.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1895 A1896 A1902 L1903 | R1895-A1899 WeakPolarHBondContact O-CA 3.49Å; R1895-A1899 WeakPolarHBondContact O-CB 3.47Å; R1895-A1899 PolarHBondContact O-N 3.45Å; A1896-A1899 CarbonylContact O-C 3.49Å; A1899-A1902 CarbonylContact O-C 3.58Å; A1899-A1902 PolarHBondContact O-N 3.31Å; A1899-L1903 WeakPolarHBondContact O-CA 3.49Å; A1899-L1903 WeakPolarHBondContact O-CB 3.45Å; A1899-L1903 PolarHBondContact O-N 2.81Å |
| 1900 | E | 70.6 | Confident | 68.7 | Low | 108 Ų | 108 | 97 Ų | 97 | 51% | 0.505 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.6 | -35.1 | 175.8 | -79 | -128.8 | 159.4 | 0 | 0 | 110.7 | A1896 L1903 Q1904 | A1896-E1900 WeakPolarHBondContact O-CA 3.4Å; A1896-E1900 WeakPolarHBondContact O-CB 3.4Å; A1896-E1900 VanDerWaalsContact O-CG 3.26Å; A1896-E1900 WeakPolarHBondContact O-CG 3.48Å; A1896-E1900 PolarHBondContact O-N 2.85Å; E1900-L1903 CarbonylContact O-C 3.47Å; E1900-L1903 PolarHBondContact O-N 2.67Å; E1900-Q1904 WeakPolarHBondContact O-CA 3.2Å; E1900-Q1904 WeakPolarHBondContact O-CB 3.3Å; E1900-Q1904 WeakPolarHBondContact O-CG 3.44Å; E1900-Q1904 PolarHBondContact O-N 2.83Å |
| 1901 | Q | 73 | Confident | 67.4 | Low | 91 Ų | 91 | 101.6 Ų | 101.6 | 43% | 0.425 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.1 | -34.5 | 167.9 | -75 | -177.2 | 43.5 | 0 | 0 | 111.5 | D1897 L1903 K1905 | D1897-Q1901 WeakPolarHBondContact O-CA 3.44Å; D1897-Q1901 WeakPolarHBondContact O-CB 3.19Å; D1897-Q1901 WeakPolarHBondContact O-CG 3.29Å; D1897-Q1901 PolarHBondContact O-N 3.44Å; Q1901-L1903 VanDerWaalsContact C-N 3.34Å; Q1901-K1905 WeakPolarHBondContact O-CA 3.24Å; Q1901-K1905 WeakPolarHBondContact O-CB 3.38Å; Q1901-K1905 WeakPolarHBondContact O-CD 3.39Å; Q1901-K1905 WeakPolarHBondContact O-CG 3.37Å; Q1901-K1905 PolarHBondContact O-N 3.08Å |
| 1902 | A | 71.7 | Confident | 66 | Low | 46 Ų | 46 | 101.8 Ų | 101.8 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.3 | -32.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1898 A1899 K1905 L1906 | Q1898-A1902 WeakPolarHBondContact O-CA 3.22Å; Q1898-A1902 WeakPolarHBondContact O-CB 3.08Å; Q1898-A1902 PolarHBondContact O-N 2.8Å; A1899-A1902 CarbonylContact O-C 3.58Å; A1899-A1902 PolarHBondContact O-N 3.31Å; A1902-K1905 CarbonylContact O-C 3.5Å; A1902-K1905 PolarHBondContact O-N 3.28Å; A1902-L1906 WeakPolarHBondContact O-CB 3.24Å; A1902-L1906 WeakPolarHBondContact O-CG 3.3Å; A1902-L1906 PolarHBondContact O-N 2.93Å |
| 1903 | L | 69.4 | Low | 64.4 | Low | 80 Ų | 80 | 103.8 Ų | 103.8 | 42% | 0.419 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -87.6 | -23.2 | -179.7 | -164.1 | 145.9 | 0 | 0 | 0 | 111.6 | A1899 E1900 Q1901 R1907 | A1899-L1903 WeakPolarHBondContact O-CA 3.49Å; A1899-L1903 WeakPolarHBondContact O-CB 3.45Å; A1899-L1903 PolarHBondContact O-N 2.81Å; E1900-L1903 CarbonylContact O-C 3.47Å; E1900-L1903 PolarHBondContact O-N 2.67Å; Q1901-L1903 VanDerWaalsContact C-N 3.34Å; L1903-R1907 HydrophobicContact CD2-CG 4.34Å; L1903-R1907 WeakPolarHBondContact O-CB 3.35Å; L1903-R1907 WeakPolarHBondContact O-CG 3.44Å; L1903-R1907 PolarHBondContact O-N 2.92Å |
| 1904 | Q | 67.5 | Low | 62.9 | Low | 116 Ų | 116 | 104.2 Ų | 104.2 | 54% | 0.542 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -76.3 | -39.1 | 160 | -75.7 | -178.3 | 25 | 0 | 0 | 110.6 | E1900 L1906 R1907 A1908 | E1900-Q1904 WeakPolarHBondContact O-CA 3.2Å; E1900-Q1904 WeakPolarHBondContact O-CB 3.3Å; E1900-Q1904 WeakPolarHBondContact O-CG 3.44Å; E1900-Q1904 PolarHBondContact O-N 2.83Å; Q1904-L1906 VanDerWaalsContact C-N 3.28Å; Q1904-L1906 PolarHBondContact O-N 3.19Å; Q1904-R1907 PolarHBondContact O-N 3.4Å; Q1904-A1908 WeakPolarHBondContact O-CA 3.33Å; Q1904-A1908 WeakPolarHBondContact O-CB 3.21Å; Q1904-A1908 PolarHBondContact O-N 3.25Å |
| 1905 | K | 65.6 | Low | 61.3 | Low | 122 Ų | 122 | 103.8 Ų | 103.8 | 53% | 0.53 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.6 | -27.5 | 170.8 | -73.6 | 159.5 | -167.4 | 157.6 | 0 | 111.4 | Q1901 A1902 K1909 | Q1901-K1905 WeakPolarHBondContact O-CA 3.24Å; Q1901-K1905 WeakPolarHBondContact O-CB 3.38Å; Q1901-K1905 WeakPolarHBondContact O-CD 3.39Å; Q1901-K1905 WeakPolarHBondContact O-CG 3.37Å; Q1901-K1905 PolarHBondContact O-N 3.08Å; A1902-K1905 CarbonylContact O-C 3.5Å; A1902-K1905 PolarHBondContact O-N 3.28Å; K1905-K1909 WeakPolarHBondContact O-CA 3.46Å; K1905-K1909 WeakPolarHBondContact O-CB 3.39Å; K1905-K1909 WeakPolarHBondContact O-CG 3.45Å; K1905-K1909 PolarHBondContact O-N 3.45Å |
| 1906 | L | 61.5 | Low | 59.6 | Low | 92 Ų | 92 | 103.2 Ų | 103.2 | 48% | 0.482 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -82.3 | -38.7 | 170.6 | -86.4 | 159.5 | 0 | 0 | 0 | 112.3 | A1902 Q1904 A1908 K1909 N1910 | A1902-L1906 WeakPolarHBondContact O-CB 3.24Å; A1902-L1906 WeakPolarHBondContact O-CG 3.3Å; A1902-L1906 PolarHBondContact O-N 2.93Å; Q1904-L1906 VanDerWaalsContact C-N 3.28Å; Q1904-L1906 PolarHBondContact O-N 3.19Å; L1906-A1908 VanDerWaalsContact C-N 3.29Å; L1906-A1908 PolarHBondContact O-N 3.48Å; L1906-K1909 PolarHBondContact O-N 3.26Å; L1906-N1910 WeakPolarHBondContact O-CB 3.22Å; L1906-N1910 PolarHBondContact O-N 2.66Å; L1906-N1910 PolarHBondContact O-OD1 3.44Å |
| 1907 | R | 63.5 | Low | 57.7 | Low | 164 Ų | 164 | 105.4 Ų | 105.4 | 62% | 0.619 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.4 | -33.2 | 170.6 | -77.7 | 170.4 | 176.8 | 161.2 | 1.9 | 111.5 | L1903 Q1904 R1911 | L1903-R1907 HydrophobicContact CD2-CG 4.34Å; L1903-R1907 WeakPolarHBondContact O-CB 3.35Å; L1903-R1907 WeakPolarHBondContact O-CG 3.44Å; L1903-R1907 PolarHBondContact O-N 2.92Å; Q1904-R1907 PolarHBondContact O-N 3.4Å; R1907-R1911 VanDerWaalsContact O-CB 3.25Å; R1907-R1911 WeakPolarHBondContact O-CB 3.32Å; R1907-R1911 WeakPolarHBondContact O-CG 3.37Å; R1907-R1911 PolarHBondContact O-N 3.44Å; R1907-R1911 VanDerWaalsContact O-N 3.08Å |
| 1908 | A | 54.6 | Low | 56.1 | Low | 53 Ų | 53 | 113 Ų | 113 | 44% | 0.438 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -75.1 | -45.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q1904 L1906 R1911 S1912 | Q1904-A1908 WeakPolarHBondContact O-CA 3.33Å; Q1904-A1908 WeakPolarHBondContact O-CB 3.21Å; Q1904-A1908 PolarHBondContact O-N 3.25Å; L1906-A1908 VanDerWaalsContact C-N 3.29Å; L1906-A1908 PolarHBondContact O-N 3.48Å; A1908-R1911 CarbonylContact O-C 3.57Å; A1908-R1911 PolarHBondContact O-N 3.08Å; A1908-R1911 VanDerWaalsContact O-N 3.13Å; A1908-S1912 VanDerWaalsContact O-CB 3.31Å; A1908-S1912 WeakPolarHBondContact O-CB 3.4Å; A1908-S1912 PolarHBondContact O-N 3.27Å; A1908-S1912 PolarHBondContact O-OG 3.42Å |
| 1909 | K | 52.5 | Low | 54.2 | Low | 137 Ų | 137 | 110.9 Ų | 110.9 | 60% | 0.596 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -58.9 | -48.2 | 171.9 | -85.1 | 179.2 | 173 | -174.4 | 0 | 111.4 | K1905 L1906 R1911 S1912 S1913 | K1905-K1909 WeakPolarHBondContact O-CA 3.46Å; K1905-K1909 WeakPolarHBondContact O-CB 3.39Å; K1905-K1909 WeakPolarHBondContact O-CG 3.45Å; K1905-K1909 PolarHBondContact O-N 3.45Å; L1906-K1909 PolarHBondContact O-N 3.26Å; K1909-R1911 PolarHBondContact O-N 2.82Å; K1909-S1912 WeakPolarHBondContact CA-OG 3.25Å; K1909-S1912 CarbonylContact O-C 3.53Å; K1909-S1912 PolarHBondContact O-N 3.3Å; K1909-S1912 PolarHBondContact O-OG 2.98Å; K1909-S1913 VanDerWaalsContact O-CB 3.25Å; K1909-S1913 WeakPolarHBondContact O-CB 3.45Å; K1909-S1913 PolarHBondContact O-N 2.79Å; K1909-S1913 PolarHBondContact O-OG 2.74Å; K1909-S1913 VanDerWaalsContact O-OG 3.11Å |
| 1910 | N | 50.9 | Low | 52.4 | Low | 122 Ų | 122 | 115 Ų | 115 | 65% | 0.652 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -9.8 | 178.3 | -61.7 | 14 | 0 | 0 | 0 | 112.8 | L1906 | L1906-N1910 WeakPolarHBondContact O-CB 3.22Å; L1906-N1910 PolarHBondContact O-N 2.66Å; L1906-N1910 PolarHBondContact O-OD1 3.44Å |
| 1911 | R | 49.2 | Very low | 50.8 | Low | 184 Ų | 184 | 115.2 Ų | 115.2 | 69% | 0.694 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -1.6 | 164.8 | -78.8 | 179 | 158 | -112.6 | -10.6 | 114.1 | E1479 R1907 A1908 K1909 | E1479-R1911 IonicContact OE1-CZ 3.81Å; E1479-R1911 IonicContact OE1-NH1 3.21Å; E1479-R1911 PolarHBondContact OE1-NH1 2.84Å; E1479-R1911 IonicContact OE1-NH2 3.8Å; E1479-R1911 PolarHBondContact OE1-NH2 3.38Å; E1479-R1911 IonicContact OE2-NH2 2.81Å; R1907-R1911 VanDerWaalsContact O-CB 3.25Å; R1907-R1911 WeakPolarHBondContact O-CB 3.32Å; R1907-R1911 WeakPolarHBondContact O-CG 3.37Å; R1907-R1911 PolarHBondContact O-N 3.44Å; R1907-R1911 VanDerWaalsContact O-N 3.08Å; A1908-R1911 CarbonylContact O-C 3.57Å; A1908-R1911 PolarHBondContact O-N 3.08Å; A1908-R1911 VanDerWaalsContact O-N 3.13Å; K1909-R1911 PolarHBondContact O-N 2.82Å |
| 1912 | S | 46.7 | Very low | 49 | Very low | 75 Ų | 75 | 115.2 Ų | 115.2 | 52% | 0.524 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -134.6 | -4 | -177.5 | 59.6 | 0 | 0 | 0 | 0 | 116.1 | A1908 K1909 V1914 | A1908-S1912 VanDerWaalsContact O-CB 3.31Å; A1908-S1912 WeakPolarHBondContact O-CB 3.4Å; A1908-S1912 PolarHBondContact O-N 3.27Å; A1908-S1912 PolarHBondContact O-OG 3.42Å; K1909-S1912 WeakPolarHBondContact CA-OG 3.25Å; K1909-S1912 CarbonylContact O-C 3.53Å; K1909-S1912 PolarHBondContact O-N 3.3Å; K1909-S1912 PolarHBondContact O-OG 2.98Å; S1912-V1914 PolarHBondContact O-N 3Å |
| 1913 | S | 41.7 | Very low | 47.1 | Very low | 87 Ų | 87 | 118.2 Ų | 118.2 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | trans | -82.6 | 43.2 | 179.4 | 63.9 | 0 | 0 | 0 | 0 | 113 | K1909 | K1909-S1913 VanDerWaalsContact O-CB 3.25Å; K1909-S1913 WeakPolarHBondContact O-CB 3.45Å; K1909-S1913 PolarHBondContact O-N 2.79Å; K1909-S1913 PolarHBondContact O-OG 2.74Å; K1909-S1913 VanDerWaalsContact O-OG 3.11Å | ||
| 1914 | V | 39.6 | Very low | 45.4 | Very low | 129 Ų | 129 | 120.4 Ų | 120.4 | 78% | 0.782 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -130.3 | 66.4 | 161.2 | -175.5 | 0 | 0 | 0 | 0 | 108 | S1912 | S1912-V1914 PolarHBondContact O-N 3Š|
| 1915 | S | 40.9 | Very low | 43.7 | Very low | 114 Ų | 114 | 119.8 Ų | 119.8 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 179.7 | 125.4 | 154.1 | 34.8 | 0 | 0 | 0 | 0 | 112 | ||
| 1916 | T | 39.3 | Very low | 42 | Very low | 137 Ų | 137 | 117.9 Ų | 117.9 | 84% | 0.84 | 73% | 0.727 | S | S | * | * | trans | -75.2 | 130.4 | -169.8 | 46.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1917 | A | 34.7 | Very low | 40.6 | Very low | 91 Ų | 91 | 117.1 Ų | 117.1 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | 62.5 | 145.8 | 127.5 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1918 | R | 37 | Very low | 39.3 | Very low | 258 Ų | 258 | 115.6 Ų | 115.6 | 97% | 0.974 | 75% | 0.753 | S | S | * | * | trans | 74.1 | 134.5 | 178.1 | -53 | 178.5 | 178.1 | 178.7 | 0.3 | 115.4 | ||||
| 1919 | G | 34.9 | Very low | 38.2 | Very low | 70 Ų | 70 | 116.3 Ų | 116.3 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | cis | 164.1 | 138.2 | -13.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1920 | V | 36.3 | Very low | 37.3 | Very low | 138 Ų | 138 | 119.5 Ų | 119.5 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | 78.9 | 126.7 | 164.3 | -170.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1921 | S | 37 | Very low | 36.4 | Very low | 114 Ų | 114 | 118.3 Ų | 118.3 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 63 | 150.3 | 161.2 | 66.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1922 | A | 33.9 | Very low | 35.6 | Very low | 91 Ų | 91 | 116.4 Ų | 116.4 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | cis | -160.2 | 141.5 | -30.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | P1924 | A1922-P1924 WeakPolarHBondContact O-CD 3.29Š| ||
| 1923 | A | 32.7 | Very low | 34.9 | Very low | 108 Ų | 108 | 124 Ų | 124 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 125.7 | -159 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1924 | P | 33.5 | Very low | 34.4 | Very low | 126 Ų | 126 | 124 Ų | 124 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 173.1 | 162.2 | 36.6 | -34 | 0 | 0 | 0 | 112.8 | A1922 | A1922-P1924 WeakPolarHBondContact O-CD 3.29Š|
| 1925 | A | 31.1 | Very low | 34.1 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 167.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1926 | G | 30.9 | Very low | 33.8 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | 79.3 | 122.4 | 162 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1927 | G | 31.6 | Very low | 33.6 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | 98.3 | -176.2 | 58 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1928 | P | 35.7 | Very low | 33.5 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | cis | -131.6 | 178.3 | -18.4 | 42.2 | -27.6 | 0 | 0 | 0 | 113.5 | ||||
| 1929 | G | 32 | Very low | 33.3 | Very low | 68 Ų | 68 | 126.3 Ų | 126.3 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | 78.8 | 136.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1930 | H | 34.5 | Very low | 33.2 | Very low | 203 Ų | 203 | 127.9 Ų | 127.9 | 94% | 0.94 | 81% | 0.811 | S | S | * | * | cis | 99.9 | 84.7 | 40.8 | -83.4 | -30.6 | 0 | 0 | 0 | 114.7 | ||||
| 1931 | A | 31.3 | Very low | 33 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -162.9 | 141.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1932 | N | 31.5 | Very low | 33 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | cis | -165.7 | 147 | -16.8 | -158.6 | -25.5 | 0 | 0 | 0 | 108.2 | ||||
| 1933 | R | 32.1 | Very low | 32.9 | Very low | 236 Ų | 236 | 128.6 Ų | 128.6 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | 68.9 | 148.7 | 175.2 | -59.3 | 172.4 | 173.2 | -176.3 | -5.1 | 116.5 | ||||
| 1934 | A | 31.3 | Very low | 32.9 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | cis | -164.2 | 152.1 | -15 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1935 | R | 34.8 | Very low | 32.9 | Very low | 244 Ų | 244 | 134.9 Ų | 134.9 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | 63.8 | 161.9 | 170.1 | -65.4 | 179.8 | 174.7 | -175.7 | -3.1 | 116.2 | ||||
| 1936 | K | 33.1 | Very low | 32.7 | Very low | 201 Ų | 201 | 143 Ų | 143 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | cis | 171 | 155.9 | -42.8 | -108.3 | -149.9 | 170.6 | -168 | 0 | 105.9 | ||||
| 1937 | P | 36 | Very low | 32.8 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -128.4 | 167.9 | -146.5 | 42.5 | -30 | 0 | 0 | 0 | 116.8 | ||||
| 1938 | T | 32.4 | Very low | 32.9 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -162.2 | 144.6 | 155.5 | 24.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1939 | A | 32.2 | Very low | 32.7 | Very low | 81 Ų | 81 | 150.8 Ų | 150.8 | 67% | 0.669 | 82% | 0.824 | S | S | * | * | trans | 51.7 | 145.3 | 138.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1940 | S | 32.3 | Very low | 32.8 | Very low | 102 Ų | 102 | 155.6 Ų | 155.6 | 71% | 0.713 | 83% | 0.831 | S | S | * | * | cis | 73.3 | 146.9 | 24.4 | 84.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1941 | L | 32.7 | Very low | 32.7 | Very low | 171 Ų | 171 | 152.7 Ų | 152.7 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | 80.4 | 152.4 | -164.5 | -55.7 | 166.8 | 0 | 0 | 0 | 112.5 | ||||
| 1942 | A | 36.8 | Very low | 32.7 | Very low | 81 Ų | 81 | 156.3 Ų | 156.3 | 67% | 0.669 | 83% | 0.826 | S | S | * | * | cis | -166 | 171.2 | -16.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1943 | P | 32.8 | Very low | 32.8 | Very low | 106 Ų | 106 | 157.3 Ų | 157.3 | 69% | 0.688 | 83% | 0.83 | S | S | * | * | trans | -82.5 | 179.9 | 158.5 | 38.4 | -37.2 | 0 | 0 | 0 | 112 | ||||
| 1944 | E | 31.9 | Very low | 32.9 | Very low | 178 Ų | 178 | 151.2 Ų | 151.2 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | 74.6 | 136.4 | 160.4 | -69.6 | 166.8 | 166.7 | 0 | 0 | 120.7 | ||||
| 1945 | E | 33 | Very low | 33 | Very low | 189 Ų | 189 | 156.7 Ų | 156.7 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | 27.6 | 101 | 150.2 | -52.8 | -171.3 | 150.4 | 0 | 0 | 122.3 | ||||
| 1946 | E | 28.3 | Very low | 32.9 | Very low | 275 Ų | 275 | 148.7 Ų | 148.7 | 100% | 1.285 | 83% | 0.827 | S | S | * | * | -164.8 | 0 | 108 | -108 | -167.4 | 159.8 | 0 | 0 | 112.1 |
Retrieved 1,946 of 1,946 residues in 3257 ms
(Link to these results)