| 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 | 37.5 | Very low | 43.3 | Very low | 245 Ų | 245 | 129.2 Ų | 129.2 | 100% | 1.207 | 80% | 0.797 | S | S | * | * | 0 | 99.1 | 0 | -71.3 | 163.5 | 127.6 | 0 | 0 | 106.8 | |||||
| 2 | S | 40.6 | Very low | 44.8 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -113.4 | 88.4 | 178 | -55.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 3 | G | 41.4 | Very low | 46.9 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | trans | -76.3 | 118.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 4 | V | 52.5 | Low | 49.3 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | trans | -100.4 | 103.8 | 170.9 | -179.8 | 0 | 0 | 0 | 0 | 106 | L6 | V4-L6 PolarHBondContact O-N 3.21Å; V4-L6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | D | 43 | Very low | 51.6 | Low | 158 Ų | 158 | 119.6 Ų | 119.6 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | trans | -70.8 | 103.1 | 173.8 | -72.9 | -49.5 | 0 | 0 | 0 | 109.7 | N7 | D5-N7 PolarHBondContact O-N 2.94Š| ||
| 6 | L | 44.6 | Very low | 53.7 | Low | 156 Ų | 156 | 112.6 Ų | 112.6 | 82% | 0.817 | 67% | 0.669 | S | S | * | * | trans | -83.4 | 77.5 | 168.7 | -77.4 | 145.9 | 0 | 0 | 0 | 108.9 | V4 | V4-L6 PolarHBondContact O-N 3.21Å; V4-L6 VanDerWaalsContact O-N 3.13Å | ||
| 7 | N | 39.6 | Very low | 55.5 | Low | 159 Ų | 159 | 112.1 Ų | 112.1 | 85% | 0.85 | 67% | 0.67 | S | S | * | * | trans | -173.7 | 106.3 | 162.2 | -102.7 | -19.2 | 0 | 0 | 0 | 111.3 | D5 | D5-N7 PolarHBondContact O-N 2.94Š| ||
| 8 | A | 41.3 | Very low | 57 | Low | 51 Ų | 51 | 108.9 Ų | 108.9 | 42% | 0.421 | 65% | 0.649 | S | S | . | * | trans | 161.4 | 117.1 | 134.3 | 0 | 0 | 0 | 0 | 0 | 112 | S10 | A8-S10 PolarHBondContact O-N 3.47Š| ||
| 9 | P | 41.8 | Very low | 58.4 | Low | 142 Ų | 142 | 106.1 Ų | 106.1 | 92% | 0.922 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -83.1 | 73.3 | 155.2 | 34.8 | -26.6 | 0 | 0 | 0 | 108.2 | ||
| 10 | S | 42.9 | Very low | 59.6 | Low | 82 Ų | 82 | 109.3 Ų | 109.3 | 57% | 0.573 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -162.5 | 96.8 | 172.3 | 57 | 0 | 0 | 0 | 0 | 109.2 | A8 S12 | A8-S10 PolarHBondContact O-N 3.47Å; S10-S12 VanDerWaalsContact C-N 3.32Å; S10-S12 PolarHBondContact O-N 3.31Å |
| 11 | S | 50.7 | Low | 60.8 | Low | 115 Ų | 115 | 107.5 Ų | 107.5 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 43.7 | 53.8 | -179.9 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | W13 | S11-W13 PolarHBondContact O-N 3.43Š|
| 12 | S | 62 | Low | 63.1 | Low | 52 Ų | 52 | 95.9 Ų | 95.9 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | trans | -75.7 | 96.1 | -176.9 | 55.8 | 0 | 0 | 0 | 0 | 109.5 | S10 S32 | S10-S12 VanDerWaalsContact C-N 3.32Å; S10-S12 PolarHBondContact O-N 3.31Å; S12-S32 WeakPolarHBondContact O-CB 3.41Å | ||
| 13 | W | 72.2 | Confident | 65.4 | Low | 188 Ų | 188 | 92.6 Ų | 92.6 | 71% | 0.712 | 56% | 0.555 | S | S | * | * | trans | -66.3 | 133 | 165.1 | 54.8 | -83.4 | 0 | 0 | 0 | 108.2 | S11 C22 | S11-W13 PolarHBondContact O-N 3.43Å; W13-C22 CarbonylContact C-O 3.53Å; W13-C22 WeakPolarHBondContact CA-O 3.49Å | ||
| 14 | T | 79.7 | Confident | 67.3 | Low | 56 Ų | 56 | 90.2 Ų | 90.2 | 34% | 0.344 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.4 | 177.3 | -58.3 | 0 | 0 | 0 | 0 | 109 | P21 C22 S32 | T14-P21 CarbonylContact O-C 3.59Å; T14-C22 PolarHBondContact N-O 3.32Å; T14-C22 PolarHBondContact O-N 2.78Å; T14-S32 VanDerWaalsContact CB-O 3.24Å; T14-S32 WeakPolarHBondContact CB-O 3.35Å; T14-S32 PolarHBondContact OG1-O 3.28Å |
| 15 | T | 84.6 | Confident | 68.2 | Low | 77 Ų | 77 | 95.4 Ų | 95.4 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 122 | 175.5 | -53.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 16 | C | 85 | Confident | 70.1 | Confident | 7 Ų | 7 | 97 Ų | 97 | 5% | 0.047 | 54% | 0.538 | C | S | . | . | trans | -75.7 | 164.6 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | N18 G19 R20 C22 C34 F44 | C16-N18 WeakPolarHBondContact CB-OD1 3.4Å; C16-N18 PolarHBondContact O-N 3.43Å; C16-N18 VanDerWaalsContact O-N 3.08Å; C16-G19 WeakPolarHBondContact O-CA 3.14Å; C16-G19 PolarHBondContact O-N 3.36Å; C16-R20 WeakPolarHBondContact CB-O 3.48Å; C16-R20 PolarHBondContact N-O 3.28Å; C16-C22 PolarHBondContact SG-SG 3.02Å; C16-C34 WeakPolarHBondContact CA-SG 3.31Å; C16-C34 HydrophobicContact CB-CB 3.84Å; C16-C34 WeakPolarHBondContact CB-SG 3.3Å; C16-C34 PolarHBondContact N-SG 3.32Å; C16-C34 WeakPolarHBondContact SG-CB 3.22Å; C16-C34 CovalentContact SG-SG 2.03Å; C16-C34 PolarHBondContact SG-SG 2.98Å; C16-F44 HydrophobicContact CB-CB 4.12Å; C16-F44 HydrophobicContact CB-CG 4.48Å | ||
| 17 | P | 84.5 | Confident | 71.8 | Confident | 104 Ų | 104 | 92.6 Ų | 92.6 | 68% | 0.675 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21 | -179.2 | -24.8 | 35.5 | 0 | 0 | 0 | 114.8 | G19 F44 | P17-G19 PolarHBondContact O-N 3.4Å; P17-F44 HydrophobicContact CB-CD2 4.36Å; P17-F44 HydrophobicContact CB-CE2 3.74Å; P17-F44 HydrophobicContact CB-CZ 3.84Å; P17-F44 HydrophobicContact CG-CD1 4.37Å; P17-F44 HydrophobicContact CG-CD2 4.43Å; P17-F44 HydrophobicContact CG-CE1 3.82Å; P17-F44 HydrophobicContact CG-CE2 3.9Å; P17-F44 HydrophobicContact CG-CZ 3.56Å |
| 18 | N | 82.3 | Confident | 73.9 | Confident | 56 Ų | 56 | 93.5 Ų | 93.5 | 30% | 0.299 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 5.5 | 172.8 | 64.6 | -7.5 | 0 | 0 | 0 | 113.6 | C16 R20 F44 | C16-N18 WeakPolarHBondContact CB-OD1 3.4Å; C16-N18 PolarHBondContact O-N 3.43Å; C16-N18 VanDerWaalsContact O-N 3.08Å; N18-R20 VanDerWaalsContact C-N 3.3Å; N18-R20 PolarHBondContact O-N 3.28Å; N18-R20 WeakPolarHBondContact OD1-CB 3.43Å; N18-R20 PolarHBondContact OD1-N 3.07Å; N18-F44 HydrophobicContact CB-CD2 4.19Å |
| 19 | G | 82.5 | Confident | 75.7 | Confident | 54 Ų | 54 | 102.2 Ų | 102.2 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 79.4 | 2.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | C16 P17 | C16-G19 WeakPolarHBondContact O-CA 3.14Å; C16-G19 PolarHBondContact O-N 3.36Å; P17-G19 PolarHBondContact O-N 3.4Å |
| 20 | R | 82.4 | Confident | 77.7 | Confident | 170 Ų | 170 | 102.2 Ų | 102.2 | 64% | 0.642 | 52% | 0.516 | S | S | * | . | trans | -84.7 | 133.6 | 178.7 | -63.9 | -170.5 | -179.3 | -158.1 | 1.6 | 111.2 | C16 N18 | C16-R20 WeakPolarHBondContact CB-O 3.48Å; C16-R20 PolarHBondContact N-O 3.28Å; N18-R20 VanDerWaalsContact C-N 3.3Å; N18-R20 PolarHBondContact O-N 3.28Å; N18-R20 WeakPolarHBondContact OD1-CB 3.43Å; N18-R20 PolarHBondContact OD1-N 3.07Å | ||
| 21 | P | 85.9 | Confident | 79.7 | Confident | 73 Ų | 73 | 100.6 Ų | 100.6 | 47% | 0.474 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 141.5 | 173.5 | 32 | -33.2 | 0 | 0 | 0 | 111.3 | T14 | T14-P21 CarbonylContact O-C 3.59Å |
| 22 | C | 86.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 95.8 Ų | 95.8 | 0% | 0 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134.8 | 168.4 | -71.2 | 0 | 0 | 0 | 0 | 110.1 | W13 T14 C16 C46 | W13-C22 CarbonylContact C-O 3.53Å; W13-C22 WeakPolarHBondContact CA-O 3.49Å; T14-C22 PolarHBondContact N-O 3.32Å; T14-C22 PolarHBondContact O-N 2.78Å; C16-C22 PolarHBondContact SG-SG 3.02Å; C22-C46 WeakPolarHBondContact CA-SG 3.34Å; C22-C46 HydrophobicContact CB-CB 3.81Å; C22-C46 WeakPolarHBondContact CB-SG 3.27Å; C22-C46 WeakPolarHBondContact SG-CA 2.94Å; C22-C46 WeakPolarHBondContact SG-CB 3.4Å; C22-C46 CovalentContact SG-SG 2.04Å; C22-C46 PolarHBondContact SG-SG 3.12Å |
| 23 | P | 87.3 | Confident | 82.4 | Confident | 52 Ų | 52 | 96 Ų | 96 | 34% | 0.338 | 46% | 0.461 | S | S | . | . | S | Bend | cis | -75.5 | 142.5 | 0.5 | 30.2 | -34.3 | 0 | 0 | 0 | 112.5 | D27 R28 | P23-D27 HydrophobicContact CB-CB 3.82Å; P23-R28 WeakPolarHBondContact CB-O 3.45Å |
| 24 | G | 81.5 | Confident | 83.1 | Confident | 25 Ų | 25 | 88.5 Ų | 88.5 | 26% | 0.258 | 44% | 0.436 | S | S | . | . | trans | -77.6 | 175.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K26 D27 | G24-K26 PolarHBondContact O-N 2.86Å; G24-D27 VanDerWaalsContact CA-OD2 3.27Å; G24-D27 WeakPolarHBondContact CA-OD2 3.22Å; G24-D27 PolarHBondContact N-OD2 3.47Å; G24-D27 PolarHBondContact O-N 3.39Å; G24-D27 VanDerWaalsContact O-N 3.07Å | ||
| 25 | Y | 72.8 | Confident | 83.5 | Confident | 226 Ų | 226 | 86 Ų | 86 | 89% | 0.886 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 96.4 | 174.7 | -174.6 | -103.4 | 0 | 0 | 0 | 109.8 | ||
| 26 | K | 81.8 | Confident | 83.6 | Confident | 193 Ų | 193 | 90.1 Ų | 90.1 | 84% | 0.839 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121.4 | -6.3 | -180 | -74.8 | -178.6 | 173.6 | -173.5 | 0 | 114.5 | G24 | G24-K26 PolarHBondContact O-N 2.86Š|
| 27 | D | 81.2 | Confident | 83.4 | Confident | 63 Ų | 63 | 91.3 Ų | 91.3 | 34% | 0.337 | 44% | 0.441 | S | S | . | . | trans | -82 | 153.3 | 179.4 | -61.5 | -22 | 0 | 0 | 0 | 110.7 | P23 G24 E31 C46 | P23-D27 HydrophobicContact CB-CB 3.82Å; G24-D27 VanDerWaalsContact CA-OD2 3.27Å; G24-D27 WeakPolarHBondContact CA-OD2 3.22Å; G24-D27 PolarHBondContact N-OD2 3.47Å; G24-D27 PolarHBondContact O-N 3.39Å; G24-D27 VanDerWaalsContact O-N 3.07Å; D27-E31 VanDerWaalsContact CA-OE2 3.27Å; D27-E31 WeakPolarHBondContact CA-OE2 3.42Å; D27-E31 HydrophobicContact CB-CB 4.27Å; D27-E31 VanDerWaalsContact CB-OE2 3.27Å; D27-E31 WeakPolarHBondContact CB-OE2 3.12Å; D27-C46 HydrophobicContact CB-CB 4.47Å; D27-C46 VanDerWaalsContact OD2-CB 3.3Å; D27-C46 WeakPolarHBondContact OD2-CB 3.4Å; D27-C46 PolarHBondContact OD2-SG 3.4Å; D27-C46 VanDerWaalsContact OD2-SG 3.36Å | ||
| 28 | R | 82.7 | Confident | 83.2 | Confident | 177 Ų | 177 | 95.3 Ų | 95.3 | 67% | 0.668 | 45% | 0.448 | S | S | * | . | trans | -71.3 | 152.8 | 175.7 | -64.1 | -177.3 | 177.2 | -162.9 | 0.8 | 109.5 | P23 E30 E31 | P23-R28 WeakPolarHBondContact CB-O 3.45Å; R28-E30 PolarHBondContact O-N 3.02Å; R28-E31 HydrophobicContact CB-CG 4.16Å; R28-E31 PolarHBondContact N-OE2 3.37Å; R28-E31 WeakPolarHBondContact O-CB 3.46Å; R28-E31 PolarHBondContact O-N 3.36Å | ||
| 29 | R | 79.2 | Confident | 83 | Confident | 234 Ų | 234 | 99.2 Ų | 99.2 | 88% | 0.883 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.1 | 176.3 | -71 | -170.8 | -179.6 | -149.3 | 0.7 | 113.6 | E31 | R29-E31 VanDerWaalsContact C-N 3.32Š|
| 30 | E | 84.1 | Confident | 82.8 | Confident | 143 Ų | 143 | 102.3 Ų | 102.3 | 67% | 0.668 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -14.3 | 178.4 | -63 | 167.7 | -160.4 | 0 | 0 | 112.7 | R28 S32 | R28-E30 PolarHBondContact O-N 3.02Å; E30-S32 VanDerWaalsContact C-N 3.25Å; E30-S32 PolarHBondContact O-N 3.02Å; E30-S32 VanDerWaalsContact O-N 3.13Å |
| 31 | E | 84.1 | Confident | 82.6 | Confident | 47 Ų | 47 | 100.3 Ų | 100.3 | 22% | 0.22 | 48% | 0.482 | C | S | . | . | trans | -90.2 | 55.7 | -178.9 | -65.3 | 169.1 | 165.3 | 0 | 0 | 110.7 | D27 R28 R29 F33 C46 C47 | D27-E31 VanDerWaalsContact CA-OE2 3.27Å; D27-E31 WeakPolarHBondContact CA-OE2 3.42Å; D27-E31 HydrophobicContact CB-CB 4.27Å; D27-E31 VanDerWaalsContact CB-OE2 3.27Å; D27-E31 WeakPolarHBondContact CB-OE2 3.12Å; R28-E31 HydrophobicContact CB-CG 4.16Å; R28-E31 PolarHBondContact N-OE2 3.37Å; R28-E31 WeakPolarHBondContact O-CB 3.46Å; R28-E31 PolarHBondContact O-N 3.36Å; R29-E31 VanDerWaalsContact C-N 3.32Å; E31-F33 VanDerWaalsContact C-N 3.34Å; E31-C46 HydrophobicContact CB-CB 4.24Å; E31-C46 WeakPolarHBondContact O-CB 3.28Å; E31-C47 CarbonylContact C-O 3.5Å; E31-C47 WeakPolarHBondContact CA-O 3.29Å | ||
| 32 | S | 84.6 | Confident | 82.2 | Confident | 15 Ų | 15 | 99.8 Ų | 99.8 | 11% | 0.105 | 49% | 0.49 | C | S | . | . | trans | -88.9 | 2.1 | -178.9 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | S12 T14 E30 | S12-S32 WeakPolarHBondContact O-CB 3.41Å; T14-S32 VanDerWaalsContact CB-O 3.24Å; T14-S32 WeakPolarHBondContact CB-O 3.35Å; T14-S32 PolarHBondContact OG1-O 3.28Å; E30-S32 VanDerWaalsContact C-N 3.25Å; E30-S32 PolarHBondContact O-N 3.02Å; E30-S32 VanDerWaalsContact O-N 3.13Å | ||
| 33 | F | 86.1 | Confident | 82.1 | Confident | 57 Ų | 57 | 102.7 Ų | 102.7 | 25% | 0.25 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 144.1 | -174.4 | -59.6 | -85.5 | 0 | 0 | 0 | 112.8 | E31 C46 C47 Y49 K52 | E31-F33 VanDerWaalsContact C-N 3.34Å; F33-C46 CarbonylContact O-C 3.5Å; F33-C46 VanDerWaalsContact O-CA 3.32Å; F33-C46 WeakPolarHBondContact O-CA 3.35Å; F33-C47 WeakPolarHBondContact CB-O 3.38Å; F33-C47 PolarHBondContact N-O 3.19Å; F33-C47 PolarHBondContact O-N 3.29Å; F33-C47 PolarHBondContact O-SG 3.01Å; F33-C47 VanDerWaalsContact O-SG 3.36Å; F33-Y49 HydrophobicContact CE1-CD2 4.17Å; F33-Y49 HydrophobicContact CE2-CD2 4.13Å; F33-Y49 HydrophobicContact CE2-CG 4.4Å; F33-Y49 AromaticContact CZ-CD2 3.76Å; F33-Y49 HydrophobicContact CZ-CD2 3.76Å; F33-Y49 HydrophobicContact CZ-CG 4.44Å; F33-K52 HydrophobicContact CB-CB 4.47Å; F33-K52 HydrophobicContact CB-CD 4Å; F33-K52 HydrophobicContact CD1-CD 3.85Å; F33-K52 HydrophobicContact CG-CD 4.1Å |
| 34 | C | 87 | Confident | 82 | Confident | 29 Ų | 29 | 102.6 Ų | 102.6 | 20% | 0.196 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 112.4 | 176.4 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | C16 | C16-C34 WeakPolarHBondContact CA-SG 3.31Å; C16-C34 HydrophobicContact CB-CB 3.84Å; C16-C34 WeakPolarHBondContact CB-SG 3.3Å; C16-C34 PolarHBondContact N-SG 3.32Å; C16-C34 WeakPolarHBondContact SG-CB 3.22Å; C16-C34 CovalentContact SG-SG 2.03Å; C16-C34 PolarHBondContact SG-SG 2.98Å |
| 35 | C | 87.3 | Confident | 82.3 | Confident | 3 Ų | 3 | 106.2 Ų | 106.2 | 2% | 0.02 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 144.7 | 172.8 | -79.9 | 0 | 0 | 0 | 0 | 111.4 | F44 Y45 C47 | C35-F44 CarbonylContact O-C 3.59Å; C35-F44 VanDerWaalsContact O-CA 3.27Å; C35-F44 WeakPolarHBondContact O-CA 3.46Å; C35-Y45 HydrophobicContact CB-CD1 4.04Å; C35-Y45 HydrophobicContact CB-CD2 4.37Å; C35-Y45 HydrophobicContact CB-CE1 3.52Å; C35-Y45 HydrophobicContact CB-CE2 3.89Å; C35-Y45 HydrophobicContact CB-CG 4.44Å; C35-Y45 VanDerWaalsContact CB-CZ 3.43Å; C35-Y45 PolarHBondContact N-O 3.11Å; C35-Y45 WeakPolarHBondContact O-CD1 3.5Å; C35-Y45 PolarHBondContact O-N 3.25Å; C35-C47 HydrophobicContact CB-CB 3.71Å; C35-C47 WeakPolarHBondContact CB-SG 3.42Å; C35-C47 WeakPolarHBondContact SG-CB 3.34Å; C35-C47 CovalentContact SG-SG 2.02Å; C35-C47 PolarHBondContact SG-SG 3.42Å |
| 36 | K | 86.1 | Confident | 83.1 | Confident | 165 Ų | 165 | 96.4 Ų | 96.4 | 72% | 0.717 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 129 | 173.2 | -72.5 | 178.8 | -179.3 | 175.8 | 0 | 110.4 | F44 Y45 | K36-F44 HydrophobicContact CG-CD1 4.09Å; K36-F44 HydrophobicContact CG-CE1 3.58Å; K36-F44 HydrophobicContact CG-CZ 4.29Å; K36-Y45 WeakPolarHBondContact O-CE1 3.27Å |
| 37 | S | 82.3 | Confident | 83.4 | Confident | 32 Ų | 32 | 87.3 Ų | 87.3 | 22% | 0.224 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 136.8 | 175.2 | -176.4 | 0 | 0 | 0 | 0 | 111 | V39 Q40 D43 | S37-V39 PolarHBondContact OG-N 3Å; S37-Q40 PolarHBondContact OG-N 3.05Å; S37-D43 WeakPolarHBondContact CB-O 3.35Å; S37-D43 PolarHBondContact N-O 3.25Å |
| 38 | K | 79.2 | Confident | 83.8 | Confident | 188 Ų | 188 | 86.5 Ų | 86.5 | 82% | 0.817 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -82.8 | -23.8 | 170.6 | -66.6 | -171 | 177.6 | -171 | 0 | 112.8 | ||
| 39 | V | 78.8 | Confident | 83.8 | Confident | 137 Ų | 137 | 85.7 Ų | 85.7 | 83% | 0.83 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -79.2 | -36.9 | -174.3 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | S37 | S37-V39 PolarHBondContact OG-N 3Š|
| 40 | Q | 78.2 | Confident | 84.1 | Confident | 119 Ų | 119 | 77 Ų | 77 | 56% | 0.556 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -133 | 109.7 | -176.1 | -160.4 | 155.1 | 20.1 | 0 | 0 | 109.7 | S37 G42 D43 | S37-Q40 PolarHBondContact OG-N 3.05Å; Q40-G42 PolarHBondContact O-N 3.22Å; Q40-D43 HydrophobicContact CB-CB 4.21Å; Q40-D43 VanDerWaalsContact CG-OD2 3.23Å; Q40-D43 WeakPolarHBondContact CG-OD2 3.06Å; Q40-D43 PolarHBondContact O-N 3.43Å; Q40-D43 PolarHBondContact OE1-OD2 3.38Å; Q40-D43 VanDerWaalsContact OE1-OD2 3.12Å |
| 41 | P | 79.2 | Confident | 84.1 | Confident | 128 Ų | 128 | 72.6 Ų | 72.6 | 83% | 0.831 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 124.4 | -178 | 25.4 | -32.2 | 0 | 0 | 0 | 109.9 | ||
| 42 | G | 76.6 | Confident | 84 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 64% | 0.639 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.4 | -13.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q40 F44 | Q40-G42 PolarHBondContact O-N 3.22Å; G42-F44 WeakPolarHBondContact O-CE2 3.44Å |
| 43 | D | 84.9 | Confident | 83.8 | Confident | 62 Ų | 62 | 73.7 Ų | 73.7 | 33% | 0.332 | 39% | 0.392 | S | S | . | . | trans | -86.9 | 151.6 | 173.6 | -83.8 | -47.5 | 0 | 0 | 0 | 112.8 | S37 Q40 | S37-D43 WeakPolarHBondContact CB-O 3.35Å; S37-D43 PolarHBondContact N-O 3.25Å; Q40-D43 HydrophobicContact CB-CB 4.21Å; Q40-D43 VanDerWaalsContact CG-OD2 3.23Å; Q40-D43 WeakPolarHBondContact CG-OD2 3.06Å; Q40-D43 PolarHBondContact O-N 3.43Å; Q40-D43 PolarHBondContact OE1-OD2 3.38Å; Q40-D43 VanDerWaalsContact OE1-OD2 3.12Å | ||
| 44 | F | 85.3 | Confident | 83.4 | Confident | 49 Ų | 49 | 75.3 Ų | 75.3 | 22% | 0.215 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 142.6 | 178.7 | -62.8 | -92.6 | 0 | 0 | 0 | 110.3 | C16 P17 N18 C35 K36 G42 | C16-F44 HydrophobicContact CB-CB 4.12Å; C16-F44 HydrophobicContact CB-CG 4.48Å; P17-F44 HydrophobicContact CB-CD2 4.36Å; P17-F44 HydrophobicContact CB-CE2 3.74Å; P17-F44 HydrophobicContact CB-CZ 3.84Å; P17-F44 HydrophobicContact CG-CD1 4.37Å; P17-F44 HydrophobicContact CG-CD2 4.43Å; P17-F44 HydrophobicContact CG-CE1 3.82Å; P17-F44 HydrophobicContact CG-CE2 3.9Å; P17-F44 HydrophobicContact CG-CZ 3.56Å; N18-F44 HydrophobicContact CB-CD2 4.19Å; C35-F44 CarbonylContact O-C 3.59Å; C35-F44 VanDerWaalsContact O-CA 3.27Å; C35-F44 WeakPolarHBondContact O-CA 3.46Å; K36-F44 HydrophobicContact CG-CD1 4.09Å; K36-F44 HydrophobicContact CG-CE1 3.58Å; K36-F44 HydrophobicContact CG-CZ 4.29Å; G42-F44 WeakPolarHBondContact O-CE2 3.44Å |
| 45 | Y | 87.2 | Confident | 82.6 | Confident | 102 Ų | 102 | 76.1 Ų | 76.1 | 40% | 0.4 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 155.7 | 172.8 | 71 | -81.6 | 0 | 0 | 0 | 110.2 | C35 K36 C47 | C35-Y45 HydrophobicContact CB-CD1 4.04Å; C35-Y45 HydrophobicContact CB-CD2 4.37Å; C35-Y45 HydrophobicContact CB-CE1 3.52Å; C35-Y45 HydrophobicContact CB-CE2 3.89Å; C35-Y45 HydrophobicContact CB-CG 4.44Å; C35-Y45 VanDerWaalsContact CB-CZ 3.43Å; C35-Y45 PolarHBondContact N-O 3.11Å; C35-Y45 WeakPolarHBondContact O-CD1 3.5Å; C35-Y45 PolarHBondContact O-N 3.25Å; K36-Y45 WeakPolarHBondContact O-CE1 3.27Å; Y45-C47 HydrophobicContact CD2-CB 4.27Å; Y45-C47 HydrophobicContact CE2-CB 3.77Å |
| 46 | C | 88.7 | Confident | 81.7 | Confident | 19 Ų | 19 | 81.4 Ų | 81.4 | 13% | 0.128 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 131.7 | 177.3 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | C22 D27 E31 F33 | C22-C46 WeakPolarHBondContact CA-SG 3.34Å; C22-C46 HydrophobicContact CB-CB 3.81Å; C22-C46 WeakPolarHBondContact CB-SG 3.27Å; C22-C46 WeakPolarHBondContact SG-CA 2.94Å; C22-C46 WeakPolarHBondContact SG-CB 3.4Å; C22-C46 CovalentContact SG-SG 2.04Å; C22-C46 PolarHBondContact SG-SG 3.12Å; D27-C46 HydrophobicContact CB-CB 4.47Å; D27-C46 VanDerWaalsContact OD2-CB 3.3Å; D27-C46 WeakPolarHBondContact OD2-CB 3.4Å; D27-C46 PolarHBondContact OD2-SG 3.4Å; D27-C46 VanDerWaalsContact OD2-SG 3.36Å; E31-C46 HydrophobicContact CB-CB 4.24Å; E31-C46 WeakPolarHBondContact O-CB 3.28Å; F33-C46 CarbonylContact O-C 3.5Å; F33-C46 VanDerWaalsContact O-CA 3.32Å; F33-C46 WeakPolarHBondContact O-CA 3.35Å |
| 47 | C | 88.3 | Confident | 80.6 | Confident | 2 Ų | 2 | 80.8 Ų | 80.8 | 1% | 0.014 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 159.7 | -175.8 | 63.1 | 0 | 0 | 0 | 0 | 110.5 | E31 F33 C35 Y45 T51 | E31-C47 CarbonylContact C-O 3.5Å; E31-C47 WeakPolarHBondContact CA-O 3.29Å; F33-C47 WeakPolarHBondContact CB-O 3.38Å; F33-C47 PolarHBondContact N-O 3.19Å; F33-C47 PolarHBondContact O-N 3.29Å; F33-C47 PolarHBondContact O-SG 3.01Å; F33-C47 VanDerWaalsContact O-SG 3.36Å; C35-C47 HydrophobicContact CB-CB 3.71Å; C35-C47 WeakPolarHBondContact CB-SG 3.42Å; C35-C47 WeakPolarHBondContact SG-CB 3.34Å; C35-C47 CovalentContact SG-SG 2.02Å; C35-C47 PolarHBondContact SG-SG 3.42Å; Y45-C47 HydrophobicContact CD2-CB 4.27Å; Y45-C47 HydrophobicContact CE2-CB 3.77Å; C47-T51 HydrophobicContact CB-CG2 4Å |
| 48 | D | 89.5 | Confident | 79.6 | Confident | 46 Ų | 46 | 85.6 Ų | 85.6 | 25% | 0.246 | 45% | 0.445 | C | S | . | . | trans | -76.5 | 164.6 | 171.7 | 69.1 | -66.3 | 0 | 0 | 0 | 111.4 | A50 T51 K52 | D48-A50 VanDerWaalsContact C-N 3.27Å; D48-A50 PolarHBondContact O-N 2.98Å; D48-A50 WeakPolarHBondContact OD2-CA 3.3Å; D48-A50 WeakPolarHBondContact OD2-CB 3.14Å; D48-A50 PolarHBondContact OD2-N 3.47Å; D48-T51 PolarHBondContact O-N 3Å; D48-T51 WeakPolarHBondContact OD1-CB 3.28Å; D48-T51 PolarHBondContact OD1-OG1 3.16Å; D48-T51 PolarHBondContact OD2-N 3.49Å; D48-T51 VanDerWaalsContact OD2-N 3.08Å; D48-K52 PolarHBondContact O-N 3.49Å | ||
| 49 | Y | 84 | Confident | 78.6 | Confident | 160 Ų | 160 | 78.1 Ų | 78.1 | 63% | 0.627 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58.7 | -37.5 | 180 | -177 | -99.6 | 0 | 0 | 0 | 112.8 | F33 K52 A53 | F33-Y49 HydrophobicContact CE1-CD2 4.17Å; F33-Y49 HydrophobicContact CE2-CD2 4.13Å; F33-Y49 HydrophobicContact CE2-CG 4.4Å; F33-Y49 AromaticContact CZ-CD2 3.76Å; F33-Y49 HydrophobicContact CZ-CD2 3.76Å; F33-Y49 HydrophobicContact CZ-CG 4.44Å; Y49-K52 PolarHBondContact O-N 2.96Å; Y49-A53 WeakPolarHBondContact O-CB 3.21Å; Y49-A53 PolarHBondContact O-N 3.26Å |
| 50 | A | 84.2 | Confident | 77.6 | Confident | 51 Ų | 51 | 76.9 Ų | 76.9 | 42% | 0.421 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.3 | -39.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D48 N54 | D48-A50 VanDerWaalsContact C-N 3.27Å; D48-A50 PolarHBondContact O-N 2.98Å; D48-A50 WeakPolarHBondContact OD2-CA 3.3Å; D48-A50 WeakPolarHBondContact OD2-CB 3.14Å; D48-A50 PolarHBondContact OD2-N 3.47Å; A50-N54 WeakPolarHBondContact O-CB 3.37Å; A50-N54 VanDerWaalsContact O-CG 3.3Å; A50-N54 PolarHBondContact O-N 3.29Å; A50-N54 PolarHBondContact O-ND2 3.09Å |
| 51 | T | 83.8 | Confident | 76.6 | Confident | 51 Ų | 51 | 75.2 Ų | 75.2 | 31% | 0.313 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 173.1 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | C47 D48 A53 N54 S55 | C47-T51 HydrophobicContact CB-CG2 4Å; D48-T51 PolarHBondContact O-N 3Å; D48-T51 WeakPolarHBondContact OD1-CB 3.28Å; D48-T51 PolarHBondContact OD1-OG1 3.16Å; D48-T51 PolarHBondContact OD2-N 3.49Å; D48-T51 VanDerWaalsContact OD2-N 3.08Å; T51-A53 PolarHBondContact O-N 3.41Å; T51-N54 PolarHBondContact O-N 3.02Å; T51-S55 WeakPolarHBondContact O-CB 3.2Å; T51-S55 PolarHBondContact O-N 3.5Å; T51-S55 PolarHBondContact O-OG 3.26Å |
| 52 | K | 82 | Confident | 75.7 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 28% | 0.278 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.7 | -53.2 | 176 | -174 | -177.8 | -177.5 | 177.4 | 0 | 111.1 | F33 D48 Y49 N54 S55 E56 | F33-K52 HydrophobicContact CB-CB 4.47Å; F33-K52 HydrophobicContact CB-CD 4Å; F33-K52 HydrophobicContact CD1-CD 3.85Å; F33-K52 HydrophobicContact CG-CD 4.1Å; D48-K52 PolarHBondContact O-N 3.49Å; Y49-K52 PolarHBondContact O-N 2.96Å; K52-N54 PolarHBondContact O-N 2.85Å; K52-S55 PolarHBondContact O-N 2.99Å; K52-S55 VanDerWaalsContact O-N 3.14Å; K52-S55 PolarHBondContact O-OG 2.71Å; K52-E56 PolarHBondContact O-N 3.37Å; K52-E56 VanDerWaalsContact O-N 3.13Å |
| 53 | A | 80.5 | Confident | 75 | Confident | 22 Ų | 22 | 76.7 Ų | 76.7 | 18% | 0.182 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -55.2 | -52 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y49 T51 S55 E56 Y57 | Y49-A53 WeakPolarHBondContact O-CB 3.21Å; Y49-A53 PolarHBondContact O-N 3.26Å; T51-A53 PolarHBondContact O-N 3.41Å; A53-S55 VanDerWaalsContact C-N 3.26Å; A53-S55 PolarHBondContact O-N 3.16Å; A53-E56 PolarHBondContact O-N 3.03Å; A53-Y57 HydrophobicContact CB-CD2 4.33Å; A53-Y57 HydrophobicContact CB-CE2 4.1Å; A53-Y57 WeakPolarHBondContact O-CD2 2.97Å; A53-Y57 PolarHBondContact O-N 3.09Å |
| 54 | N | 78 | Confident | 74.1 | Confident | 90 Ų | 90 | 78.9 Ų | 78.9 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60 | -33.9 | 180 | -78.5 | -53.7 | 0 | 0 | 0 | 113.5 | A50 T51 K52 K58 | A50-N54 WeakPolarHBondContact O-CB 3.37Å; A50-N54 VanDerWaalsContact O-CG 3.3Å; A50-N54 PolarHBondContact O-N 3.29Å; A50-N54 PolarHBondContact O-ND2 3.09Å; T51-N54 PolarHBondContact O-N 3.02Å; K52-N54 PolarHBondContact O-N 2.85Å; N54-K58 VanDerWaalsContact O-CB 3.28Å; N54-K58 WeakPolarHBondContact O-CB 2.97Å; N54-K58 VanDerWaalsContact O-CG 3.25Å; N54-K58 WeakPolarHBondContact O-CG 3.38Å; N54-K58 PolarHBondContact O-N 3.27Å |
| 55 | S | 70.3 | Confident | 73.3 | Confident | 46 Ų | 46 | 80.3 Ų | 80.3 | 32% | 0.322 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.7 | -39.8 | 179.6 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | T51 K52 A53 G59 | T51-S55 WeakPolarHBondContact O-CB 3.2Å; T51-S55 PolarHBondContact O-N 3.5Å; T51-S55 PolarHBondContact O-OG 3.26Å; K52-S55 PolarHBondContact O-N 2.99Å; K52-S55 VanDerWaalsContact O-N 3.14Å; K52-S55 PolarHBondContact O-OG 2.71Å; A53-S55 VanDerWaalsContact C-N 3.26Å; A53-S55 PolarHBondContact O-N 3.16Å; S55-G59 PolarHBondContact O-N 3.27Å |
| 56 | E | 68.1 | Low | 72.6 | Confident | 115 Ų | 115 | 79 Ų | 79 | 54% | 0.537 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.7 | -44.3 | 176.9 | -70.5 | -177.4 | 158.7 | 0 | 0 | 111 | K52 A53 K58 G59 L60 | K52-E56 PolarHBondContact O-N 3.37Å; K52-E56 VanDerWaalsContact O-N 3.13Å; A53-E56 PolarHBondContact O-N 3.03Å; E56-K58 PolarHBondContact O-N 3.47Å; E56-G59 PolarHBondContact O-N 3.48Å; E56-L60 PolarHBondContact O-N 3.31Å; E56-L60 VanDerWaalsContact O-N 3.17Å |
| 57 | Y | 63 | Low | 72.2 | Confident | 152 Ų | 152 | 85 Ų | 85 | 60% | 0.596 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.5 | -46 | 175.3 | -72.3 | -64.5 | 0 | 0 | 0 | 111.4 | A53 G59 L61 | A53-Y57 HydrophobicContact CB-CD2 4.33Å; A53-Y57 HydrophobicContact CB-CE2 4.1Å; A53-Y57 WeakPolarHBondContact O-CD2 2.97Å; A53-Y57 PolarHBondContact O-N 3.09Å; Y57-G59 PolarHBondContact O-N 3.48Å; Y57-L61 WeakPolarHBondContact O-CB 3.28Å; Y57-L61 VanDerWaalsContact O-CD1 3.28Å; Y57-L61 WeakPolarHBondContact O-CD1 3.09Å; Y57-L61 WeakPolarHBondContact O-CG 3.21Å; Y57-L61 PolarHBondContact O-N 3.12Å |
| 58 | K | 61.3 | Low | 71.9 | Confident | 132 Ų | 132 | 89.9 Ų | 89.9 | 57% | 0.574 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.9 | -36.4 | -179.8 | -77.4 | 179 | 178.7 | 178.8 | 0 | 112.9 | N54 E56 S62 | N54-K58 VanDerWaalsContact O-CB 3.28Å; N54-K58 WeakPolarHBondContact O-CB 2.97Å; N54-K58 VanDerWaalsContact O-CG 3.25Å; N54-K58 WeakPolarHBondContact O-CG 3.38Å; N54-K58 PolarHBondContact O-N 3.27Å; E56-K58 PolarHBondContact O-N 3.47Å; K58-S62 WeakPolarHBondContact O-CB 2.92Å; K58-S62 PolarHBondContact O-N 3.41Å; K58-S62 PolarHBondContact O-OG 3.45Å |
| 59 | G | 58.3 | Low | 71.7 | Confident | 32 Ų | 32 | 92 Ų | 92 | 33% | 0.33 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -51.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | S55 E56 Y57 S62 | S55-G59 PolarHBondContact O-N 3.27Å; E56-G59 PolarHBondContact O-N 3.48Å; Y57-G59 PolarHBondContact O-N 3.48Å; G59-S62 PolarHBondContact O-OG 3.02Å |
| 60 | L | 57.9 | Low | 71.9 | Confident | 111 Ų | 111 | 86.5 Ų | 86.5 | 58% | 0.581 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69.6 | -38.7 | 178 | -91.1 | 79.5 | 0 | 0 | 0 | 112.6 | E56 H64 | E56-L60 PolarHBondContact O-N 3.31Å; E56-L60 VanDerWaalsContact O-N 3.17Å; L60-H64 PolarHBondContact O-CD2 3.05Å; L60-H64 VanDerWaalsContact O-CD2 3.28Å; L60-H64 PolarHBondContact O-N 2.8Å |
| 61 | L | 56.6 | Low | 72.1 | Confident | 83 Ų | 83 | 86.2 Ų | 86.2 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.2 | -40.2 | -179.5 | -79.2 | 160 | 0 | 0 | 0 | 111 | Y57 E63 H64 L65 | Y57-L61 WeakPolarHBondContact O-CB 3.28Å; Y57-L61 VanDerWaalsContact O-CD1 3.28Å; Y57-L61 WeakPolarHBondContact O-CD1 3.09Å; Y57-L61 WeakPolarHBondContact O-CG 3.21Å; Y57-L61 PolarHBondContact O-N 3.12Å; L61-E63 VanDerWaalsContact C-N 3.27Å; L61-E63 PolarHBondContact O-N 2.86Å; L61-H64 PolarHBondContact O-N 3.48Å; L61-L65 HydrophobicContact CB-CD1 3.71Å; L61-L65 HydrophobicContact CB-CG 4.03Å; L61-L65 HydrophobicContact CD2-CD1 4.1Å; L61-L65 HydrophobicContact CD2-CD2 4.03Å; L61-L65 HydrophobicContact CD2-CG 3.9Å; L61-L65 HydrophobicContact CG-CD1 4.49Å; L61-L65 WeakPolarHBondContact O-CA 3.25Å; L61-L65 WeakPolarHBondContact O-CB 3.45Å; L61-L65 WeakPolarHBondContact O-CD1 3.4Å; L61-L65 WeakPolarHBondContact O-CG 3.08Å; L61-L65 PolarHBondContact O-N 3.39Å |
| 62 | S | 60.5 | Low | 72.5 | Confident | 80 Ų | 80 | 89.6 Ų | 89.6 | 56% | 0.559 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.2 | -32.9 | -178.9 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | K58 G59 | K58-S62 WeakPolarHBondContact O-CB 2.92Å; K58-S62 PolarHBondContact O-N 3.41Å; K58-S62 PolarHBondContact O-OG 3.45Å; G59-S62 PolarHBondContact O-OG 3.02Å |
| 63 | E | 63.7 | Low | 73.1 | Confident | 142 Ų | 142 | 92.1 Ų | 92.1 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -75.3 | -40.4 | 179.8 | -68 | 178.7 | 159.9 | 0 | 0 | 111.2 | L61 | L61-E63 VanDerWaalsContact C-N 3.27Å; L61-E63 PolarHBondContact O-N 2.86Å |
| 64 | H | 64.6 | Low | 73.7 | Confident | 108 Ų | 108 | 93.1 Ų | 93.1 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -93.6 | -20.2 | -177.9 | -63.4 | -53.7 | 0 | 0 | 0 | 114.9 | L60 L61 E67 L68 | L60-H64 PolarHBondContact O-CD2 3.05Å; L60-H64 VanDerWaalsContact O-CD2 3.28Å; L60-H64 PolarHBondContact O-N 2.8Å; L61-H64 PolarHBondContact O-N 3.48Å; H64-E67 PolarHBondContact O-N 2.96Å; H64-L68 WeakPolarHBondContact O-CB 3.28Å; H64-L68 PolarHBondContact O-N 2.87Å |
| 65 | L | 68.5 | Low | 74.5 | Confident | 78 Ų | 78 | 91.6 Ų | 91.6 | 41% | 0.408 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.8 | -39 | -179.7 | -80.1 | 170.9 | 0 | 0 | 0 | 111.4 | L61 E67 L68 V69 | L61-L65 HydrophobicContact CB-CD1 3.71Å; L61-L65 HydrophobicContact CB-CG 4.03Å; L61-L65 HydrophobicContact CD2-CD1 4.1Å; L61-L65 HydrophobicContact CD2-CD2 4.03Å; L61-L65 HydrophobicContact CD2-CG 3.9Å; L61-L65 HydrophobicContact CG-CD1 4.49Å; L61-L65 WeakPolarHBondContact O-CA 3.25Å; L61-L65 WeakPolarHBondContact O-CB 3.45Å; L61-L65 WeakPolarHBondContact O-CD1 3.4Å; L61-L65 WeakPolarHBondContact O-CG 3.08Å; L61-L65 PolarHBondContact O-N 3.39Å; L65-E67 VanDerWaalsContact C-N 3.3Å; L65-E67 PolarHBondContact O-N 3.27Å; L65-L68 PolarHBondContact O-N 3.41Å; L65-V69 WeakPolarHBondContact O-CB 3.34Å; L65-V69 WeakPolarHBondContact O-CG2 3.18Å; L65-V69 PolarHBondContact O-N 3.11Å |
| 66 | A | 73.2 | Confident | 75.6 | Confident | 76 Ų | 76 | 92.2 Ų | 92.2 | 63% | 0.628 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G70 | A66-G70 PolarHBondContact O-N 3.46Å |
| 67 | E | 79.5 | Confident | 77 | Confident | 143 Ų | 143 | 90.5 Ų | 90.5 | 67% | 0.668 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.2 | -43 | 176.9 | -169 | 172.3 | -171.5 | 0 | 0 | 111.9 | H64 L65 G70 G71 | H64-E67 PolarHBondContact O-N 2.96Å; L65-E67 VanDerWaalsContact C-N 3.3Å; L65-E67 PolarHBondContact O-N 3.27Å; E67-G70 PolarHBondContact O-N 3.27Å; E67-G71 PolarHBondContact O-N 2.91Å |
| 68 | L | 82.7 | Confident | 78.5 | Confident | 106 Ų | 106 | 88.7 Ų | 88.7 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.6 | -45.8 | 178.7 | -171.5 | 71.3 | 0 | 0 | 0 | 111.7 | H64 L65 G71 L72 | H64-L68 WeakPolarHBondContact O-CB 3.28Å; H64-L68 PolarHBondContact O-N 2.87Å; L65-L68 PolarHBondContact O-N 3.41Å; L68-G71 PolarHBondContact O-N 3.42Å; L68-L72 HydrophobicContact CD1-CD1 4.22Å; L68-L72 HydrophobicContact CG-CD1 4.22Å; L68-L72 WeakPolarHBondContact O-CB 3.39Å; L68-L72 PolarHBondContact O-N 2.87Å |
| 69 | V | 85.5 | Confident | 80.1 | Confident | 91 Ų | 91 | 87.9 Ų | 87.9 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.1 | -41.4 | 179.2 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | L65 L73 | L65-V69 WeakPolarHBondContact O-CB 3.34Å; L65-V69 WeakPolarHBondContact O-CG2 3.18Å; L65-V69 PolarHBondContact O-N 3.11Å; V69-L73 VanDerWaalsContact O-CB 3.3Å; V69-L73 WeakPolarHBondContact O-CB 3.4Å; V69-L73 PolarHBondContact O-N 2.92Å |
| 70 | G | 87 | Confident | 81.8 | Confident | 44 Ų | 44 | 91.3 Ų | 91.3 | 45% | 0.454 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A66 E67 L73 G74 | A66-G70 PolarHBondContact O-N 3.46Å; E67-G70 PolarHBondContact O-N 3.27Å; G70-L73 PolarHBondContact O-N 3.29Å; G70-G74 PolarHBondContact O-N 3.43Å |
| 71 | G | 89.8 | Confident | 83.5 | Confident | 44 Ų | 44 | 90.5 Ų | 90.5 | 45% | 0.454 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E67 L68 L73 G74 A75 | E67-G71 PolarHBondContact O-N 2.91Å; L68-G71 PolarHBondContact O-N 3.42Å; G71-L73 PolarHBondContact O-N 2.82Å; G71-G74 PolarHBondContact O-N 3.31Å; G71-A75 VanDerWaalsContact O-CB 3.28Å; G71-A75 WeakPolarHBondContact O-CB 3.42Å; G71-A75 PolarHBondContact O-N 3.48Å |
| 72 | L | 92.4 | Very high | 85.3 | Confident | 122 Ų | 122 | 90 Ų | 90 | 64% | 0.639 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.7 | -45.2 | 177 | -112.9 | 103.6 | 0 | 0 | 0 | 111.8 | L68 A75 A76 | L68-L72 HydrophobicContact CD1-CD1 4.22Å; L68-L72 HydrophobicContact CG-CD1 4.22Å; L68-L72 WeakPolarHBondContact O-CB 3.39Å; L68-L72 PolarHBondContact O-N 2.87Å; L72-A75 PolarHBondContact O-N 3.41Å; L72-A76 WeakPolarHBondContact O-CB 3.05Å; L72-A76 PolarHBondContact O-N 2.9Å |
| 73 | L | 92.8 | Very high | 86.7 | Confident | 118 Ų | 118 | 89.7 Ų | 89.7 | 62% | 0.618 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.2 | -42.2 | -179.9 | -170.3 | 65.7 | 0 | 0 | 0 | 111 | V69 G70 G71 A76 V77 | V69-L73 VanDerWaalsContact O-CB 3.3Å; V69-L73 WeakPolarHBondContact O-CB 3.4Å; V69-L73 PolarHBondContact O-N 2.92Å; G70-L73 PolarHBondContact O-N 3.29Å; G71-L73 PolarHBondContact O-N 2.82Å; L73-A76 PolarHBondContact O-N 3.02Å; L73-V77 VanDerWaalsContact O-CG2 3.29Å; L73-V77 WeakPolarHBondContact O-CG2 3.33Å; L73-V77 PolarHBondContact O-N 3.29Å |
| 74 | G | 93.6 | Very high | 87.8 | Confident | 42 Ų | 42 | 86.9 Ų | 86.9 | 43% | 0.433 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G70 G71 A76 V77 L78 | G70-G74 PolarHBondContact O-N 3.43Å; G71-G74 PolarHBondContact O-N 3.31Å; G74-A76 PolarHBondContact O-N 2.95Å; G74-V77 PolarHBondContact O-N 3.23Å; G74-L78 WeakPolarHBondContact O-CB 3.39Å; G74-L78 PolarHBondContact O-N 2.9Å |
| 75 | A | 94.8 | Very high | 89 | Confident | 58 Ų | 58 | 83.5 Ų | 83.5 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | G71 L72 L78 L79 | G71-A75 VanDerWaalsContact O-CB 3.28Å; G71-A75 WeakPolarHBondContact O-CB 3.42Å; G71-A75 PolarHBondContact O-N 3.48Å; L72-A75 PolarHBondContact O-N 3.41Å; A75-L78 PolarHBondContact O-N 3.43Å; A75-L79 VanDerWaalsContact O-CB 3.27Å; A75-L79 WeakPolarHBondContact O-CB 3.46Å; A75-L79 PolarHBondContact O-N 3.05Å |
| 76 | A | 94.4 | Very high | 89.9 | Confident | 59 Ų | 59 | 84.6 Ų | 84.6 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L72 L73 G74 L80 | L72-A76 WeakPolarHBondContact O-CB 3.05Å; L72-A76 PolarHBondContact O-N 2.9Å; L73-A76 PolarHBondContact O-N 3.02Å; G74-A76 PolarHBondContact O-N 2.95Å; A76-L80 WeakPolarHBondContact O-CB 3.42Å; A76-L80 PolarHBondContact O-N 2.92Å |
| 77 | V | 96.1 | Very high | 90.5 | Very high | 80 Ų | 80 | 82.8 Ų | 82.8 | 49% | 0.485 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | L73 G74 L79 L80 I81 | L73-V77 VanDerWaalsContact O-CG2 3.29Å; L73-V77 WeakPolarHBondContact O-CG2 3.33Å; L73-V77 PolarHBondContact O-N 3.29Å; G74-V77 PolarHBondContact O-N 3.23Å; V77-L79 PolarHBondContact O-N 3Å; V77-L80 PolarHBondContact O-N 3.43Å; V77-I81 HydrophobicContact CG1-CD1 4.01Å; V77-I81 WeakPolarHBondContact O-CG1 3.27Å; V77-I81 PolarHBondContact O-N 3.37Å |
| 78 | L | 95.3 | Very high | 90.5 | Very high | 113 Ų | 113 | 84.1 Ų | 84.1 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -45.3 | 177.6 | -171.8 | 71.9 | 0 | 0 | 0 | 111.4 | G74 A75 L80 I81 V82 | G74-L78 WeakPolarHBondContact O-CB 3.39Å; G74-L78 PolarHBondContact O-N 2.9Å; A75-L78 PolarHBondContact O-N 3.43Å; L78-L80 VanDerWaalsContact C-N 3.31Å; L78-L80 PolarHBondContact O-N 3.5Å; L78-I81 PolarHBondContact O-N 3.5Å; L78-V82 WeakPolarHBondContact O-CG2 3.04Å; L78-V82 PolarHBondContact O-N 3.47Å |
| 79 | L | 95 | Very high | 90.3 | Very high | 116 Ų | 116 | 88.5 Ų | 88.5 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.5 | -42.7 | 177.1 | -170.5 | 152.8 | 0 | 0 | 0 | 111 | A75 V77 I81 V82 V83 | A75-L79 VanDerWaalsContact O-CB 3.27Å; A75-L79 WeakPolarHBondContact O-CB 3.46Å; A75-L79 PolarHBondContact O-N 3.05Å; V77-L79 PolarHBondContact O-N 3Å; L79-I81 PolarHBondContact O-N 2.95Å; L79-V82 PolarHBondContact O-N 2.87Å; L79-V83 HydrophobicContact CD2-CG2 3.89Å; L79-V83 WeakPolarHBondContact O-CB 3.37Å; L79-V83 VanDerWaalsContact O-CG2 3.28Å; L79-V83 WeakPolarHBondContact O-CG2 3.4Å; L79-V83 PolarHBondContact O-N 2.82Å |
| 80 | L | 93.5 | Very high | 89.8 | Confident | 103 Ų | 103 | 87 Ų | 87 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 176.4 | -173.3 | 146.3 | 0 | 0 | 0 | 111.8 | A76 V77 L78 V83 L84 | A76-L80 WeakPolarHBondContact O-CB 3.42Å; A76-L80 PolarHBondContact O-N 2.92Å; V77-L80 PolarHBondContact O-N 3.43Å; L78-L80 VanDerWaalsContact C-N 3.31Å; L78-L80 PolarHBondContact O-N 3.5Å; L80-V83 PolarHBondContact O-N 2.89Å; L80-L84 HydrophobicContact CD2-CD1 3.59Å; L80-L84 HydrophobicContact CD2-CG 4.19Å; L80-L84 WeakPolarHBondContact O-CB 3.02Å; L80-L84 VanDerWaalsContact O-CG 3.3Å; L80-L84 WeakPolarHBondContact O-CG 3.3Å; L80-L84 PolarHBondContact O-N 3.47Å |
| 81 | I | 94.5 | Very high | 88.8 | Confident | 94 Ų | 94 | 95.3 Ų | 95.3 | 48% | 0.482 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 176.2 | -67.1 | 165.9 | 0 | 0 | 0 | 111 | V77 L78 L79 L84 A85 | V77-I81 HydrophobicContact CG1-CD1 4.01Å; V77-I81 WeakPolarHBondContact O-CG1 3.27Å; V77-I81 PolarHBondContact O-N 3.37Å; L78-I81 PolarHBondContact O-N 3.5Å; L79-I81 PolarHBondContact O-N 2.95Å; I81-L84 PolarHBondContact O-N 3.49Å; I81-A85 WeakPolarHBondContact O-CB 3.27Å; I81-A85 PolarHBondContact O-N 2.82Å |
| 82 | V | 93.4 | Very high | 87.5 | Confident | 74 Ų | 74 | 97.5 Ų | 97.5 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 178.4 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | L78 L79 L84 A85 I86 | L78-V82 WeakPolarHBondContact O-CG2 3.04Å; L78-V82 PolarHBondContact O-N 3.47Å; L79-V82 PolarHBondContact O-N 2.87Å; V82-L84 VanDerWaalsContact C-N 3.33Å; V82-L84 PolarHBondContact O-N 3.49Å; V82-A85 PolarHBondContact O-N 3.41Å; V82-I86 HydrophobicContact CG1-CD1 3.71Å; V82-I86 HydrophobicContact CG1-CG1 4.41Å; V82-I86 VanDerWaalsContact O-CG1 3.27Å; V82-I86 WeakPolarHBondContact O-CG1 3.5Å; V82-I86 PolarHBondContact O-N 2.9Å |
| 83 | V | 90 | Very high | 86.2 | Confident | 72 Ų | 72 | 94 Ų | 94 | 44% | 0.436 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 175.7 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | L79 L80 C87 | L79-V83 HydrophobicContact CD2-CG2 3.89Å; L79-V83 WeakPolarHBondContact O-CB 3.37Å; L79-V83 VanDerWaalsContact O-CG2 3.28Å; L79-V83 WeakPolarHBondContact O-CG2 3.4Å; L79-V83 PolarHBondContact O-N 2.82Å; L80-V83 PolarHBondContact O-N 2.89Å; V83-C87 WeakPolarHBondContact O-CB 3.32Å; V83-C87 PolarHBondContact O-N 3.49Å; V83-C87 PolarHBondContact O-SG 2.82Å |
| 84 | L | 87.7 | Confident | 84.4 | Confident | 84 Ų | 84 | 91.4 Ų | 91.4 | 44% | 0.44 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 176.4 | -73.3 | 179.5 | 0 | 0 | 0 | 111.8 | L80 I81 V82 C87 F88 | L80-L84 HydrophobicContact CD2-CD1 3.59Å; L80-L84 HydrophobicContact CD2-CG 4.19Å; L80-L84 WeakPolarHBondContact O-CB 3.02Å; L80-L84 VanDerWaalsContact O-CG 3.3Å; L80-L84 WeakPolarHBondContact O-CG 3.3Å; L80-L84 PolarHBondContact O-N 3.47Å; I81-L84 PolarHBondContact O-N 3.49Å; V82-L84 VanDerWaalsContact C-N 3.33Å; V82-L84 PolarHBondContact O-N 3.49Å; L84-C87 CarbonylContact O-C 3.5Å; L84-C87 WeakPolarHBondContact O-CA 3.44Å; L84-C87 WeakPolarHBondContact O-CB 3.07Å; L84-C87 PolarHBondContact O-N 2.99Å; L84-C87 VanDerWaalsContact O-N 3.11Å; L84-F88 HydrophobicContact CB-CD2 4.38Å; L84-F88 HydrophobicContact CB-CE2 4.32Å; L84-F88 WeakPolarHBondContact O-CD2 3.27Å; L84-F88 PolarHBondContact O-N 3.46Å |
| 85 | A | 88.4 | Confident | 82.7 | Confident | 37 Ų | 37 | 96.1 Ų | 96.1 | 31% | 0.306 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.5 | -51.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | I81 V82 C87 F88 Y89 | I81-A85 WeakPolarHBondContact O-CB 3.27Å; I81-A85 PolarHBondContact O-N 2.82Å; V82-A85 PolarHBondContact O-N 3.41Å; A85-C87 PolarHBondContact O-N 2.94Å; A85-F88 PolarHBondContact O-N 3.41Å; A85-Y89 HydrophobicContact CB-CD2 4.43Å; A85-Y89 HydrophobicContact CB-CE2 4.24Å; A85-Y89 WeakPolarHBondContact O-CD2 3.47Å; A85-Y89 PolarHBondContact O-N 2.8Å |
| 86 | I | 87.7 | Confident | 80.8 | Confident | 100 Ų | 100 | 101.9 Ų | 101.9 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.5 | -40.4 | 175.7 | -64.4 | 166.5 | 0 | 0 | 0 | 110.1 | V82 F88 Y89 C90 | V82-I86 HydrophobicContact CG1-CD1 3.71Å; V82-I86 HydrophobicContact CG1-CG1 4.41Å; V82-I86 VanDerWaalsContact O-CG1 3.27Å; V82-I86 WeakPolarHBondContact O-CG1 3.5Å; V82-I86 PolarHBondContact O-N 2.9Å; I86-F88 PolarHBondContact O-N 2.72Å; I86-Y89 PolarHBondContact O-N 3.41Å; I86-C90 VanDerWaalsContact O-CB 3.31Å; I86-C90 WeakPolarHBondContact O-CB 3.24Å; I86-C90 PolarHBondContact O-N 3.31Å |
| 87 | C | 85.5 | Confident | 79 | Confident | 39 Ų | 39 | 105.7 Ų | 105.7 | 26% | 0.264 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.7 | -34.9 | 176.8 | -72.6 | 0 | 0 | 0 | 0 | 113.8 | V83 L84 A85 C93 | V83-C87 WeakPolarHBondContact O-CB 3.32Å; V83-C87 PolarHBondContact O-N 3.49Å; V83-C87 PolarHBondContact O-SG 2.82Å; L84-C87 CarbonylContact O-C 3.5Å; L84-C87 WeakPolarHBondContact O-CA 3.44Å; L84-C87 WeakPolarHBondContact O-CB 3.07Å; L84-C87 PolarHBondContact O-N 2.99Å; L84-C87 VanDerWaalsContact O-N 3.11Å; A85-C87 PolarHBondContact O-N 2.94Å; C87-C93 WeakPolarHBondContact CA-SG 3.05Å; C87-C93 HydrophobicContact CB-CB 4.25Å; C87-C93 WeakPolarHBondContact CB-SG 3.21Å; C87-C93 VanDerWaalsContact O-CB 3.22Å; C87-C93 WeakPolarHBondContact O-CB 3.16Å; C87-C93 PolarHBondContact O-SG 3.4Å; C87-C93 VanDerWaalsContact O-SG 3.41Å; C87-C93 PolarHBondContact SG-SG 2.55Å |
| 88 | F | 79.6 | Confident | 77.1 | Confident | 170 Ų | 170 | 110.1 Ų | 110.1 | 75% | 0.746 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.9 | -35.5 | 176 | -81.9 | -70.4 | 0 | 0 | 0 | 112.2 | L84 A85 I86 | L84-F88 HydrophobicContact CB-CD2 4.38Å; L84-F88 HydrophobicContact CB-CE2 4.32Å; L84-F88 WeakPolarHBondContact O-CD2 3.27Å; L84-F88 PolarHBondContact O-N 3.46Å; A85-F88 PolarHBondContact O-N 3.41Å; I86-F88 PolarHBondContact O-N 2.72Å |
| 89 | Y | 78.7 | Confident | 75.3 | Confident | 198 Ų | 198 | 114.2 Ų | 114.2 | 78% | 0.776 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -80.8 | -25.4 | 178 | -65.9 | -63.9 | 0 | 0 | 0 | 113 | A85 I86 K91 | A85-Y89 HydrophobicContact CB-CD2 4.43Å; A85-Y89 HydrophobicContact CB-CE2 4.24Å; A85-Y89 WeakPolarHBondContact O-CD2 3.47Å; A85-Y89 PolarHBondContact O-N 2.8Å; I86-Y89 PolarHBondContact O-N 3.41Å; Y89-K91 PolarHBondContact O-N 3.19Å |
| 90 | C | 76.4 | Confident | 73.4 | Confident | 60 Ų | 60 | 116.5 Ų | 116.5 | 41% | 0.405 | 57% | 0.573 | S | S | . | * | trans | -76.3 | 106.8 | 167.7 | -82.4 | 0 | 0 | 0 | 0 | 110.3 | I86 C92 C93 | I86-C90 VanDerWaalsContact O-CB 3.31Å; I86-C90 WeakPolarHBondContact O-CB 3.24Å; I86-C90 PolarHBondContact O-N 3.31Å; C90-C92 PolarHBondContact O-N 3.03Å; C90-C93 PolarHBondContact O-N 2.95Å; C90-C93 VanDerWaalsContact O-N 3.09Å | ||
| 91 | K | 64.4 | Low | 71.5 | Confident | 218 Ų | 218 | 119.1 Ų | 119.1 | 95% | 0.948 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | -13.5 | 166 | -68.2 | -176.8 | 177.6 | 165.6 | 0 | 113.6 | Y89 | Y89-K91 PolarHBondContact O-N 3.19Š|
| 92 | C | 63.6 | Low | 69.6 | Low | 90 Ų | 90 | 123.2 Ų | 123.2 | 61% | 0.608 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -0.6 | -178.8 | -52.6 | 0 | 0 | 0 | 0 | 115 | C90 A94 | C90-C92 PolarHBondContact O-N 3.03Å; C92-A94 PolarHBondContact O-N 3.43Å |
| 93 | C | 64.5 | Low | 67.7 | Low | 49 Ų | 49 | 131.1 Ų | 131.1 | 33% | 0.331 | 62% | 0.621 | S | S | . | * | trans | -70.1 | 84.4 | -179.4 | -90.6 | 0 | 0 | 0 | 0 | 112.8 | C87 C90 L95 Y96 | C87-C93 WeakPolarHBondContact CA-SG 3.05Å; C87-C93 HydrophobicContact CB-CB 4.25Å; C87-C93 WeakPolarHBondContact CB-SG 3.21Å; C87-C93 VanDerWaalsContact O-CB 3.22Å; C87-C93 WeakPolarHBondContact O-CB 3.16Å; C87-C93 PolarHBondContact O-SG 3.4Å; C87-C93 VanDerWaalsContact O-SG 3.41Å; C87-C93 PolarHBondContact SG-SG 2.55Å; C90-C93 PolarHBondContact O-N 2.95Å; C90-C93 VanDerWaalsContact O-N 3.09Å; C93-L95 PolarHBondContact O-N 3.34Å; C93-Y96 PolarHBondContact O-N 3.49Å | ||
| 94 | A | 56.4 | Low | 66 | Low | 64 Ų | 64 | 132.7 Ų | 132.7 | 53% | 0.529 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.7 | -0.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | C92 Y96 K97 K98 | C92-A94 PolarHBondContact O-N 3.43Å; A94-Y96 PolarHBondContact O-N 2.91Å; A94-K97 PolarHBondContact O-N 3.23Å; A94-K97 VanDerWaalsContact O-N 3.11Å; A94-K98 PolarHBondContact O-N 3.14Å |
| 95 | L | 56.4 | Low | 64.4 | Low | 141 Ų | 141 | 133.9 Ų | 133.9 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -19.6 | 173.7 | -67.1 | 178.7 | 0 | 0 | 0 | 112.5 | C93 | C93-L95 PolarHBondContact O-N 3.34Š|
| 96 | Y | 54.8 | Low | 62.9 | Low | 179 Ų | 179 | 140.9 Ų | 140.9 | 70% | 0.702 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -32.6 | 168.9 | -160.4 | -98.5 | 0 | 0 | 0 | 113.2 | C93 A94 K98 | C93-Y96 PolarHBondContact O-N 3.49Å; A94-Y96 PolarHBondContact O-N 2.91Å; Y96-K98 VanDerWaalsContact C-N 3.31Å; Y96-K98 PolarHBondContact O-N 3.01Å |
| 97 | K | 56.5 | Low | 61 | Low | 138 Ų | 138 | 141.1 Ų | 141.1 | 60% | 0.6 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -70.9 | -24.6 | -178.4 | -162.1 | 171.7 | 178.7 | -177.1 | 0 | 112.4 | A94 D120 | A94-K97 PolarHBondContact O-N 3.23Å; A94-K97 VanDerWaalsContact O-N 3.11Å; K97-D120 IonicContact NZ-OD1 2.86Å; K97-D120 PolarHBondContact NZ-OD1 3.19Å |
| 98 | K | 56.8 | Low | 59.4 | Low | 174 Ų | 174 | 147.3 Ų | 147.3 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -82.1 | -12.3 | -178 | -133.5 | 178.9 | -175.8 | -177.8 | 0 | 115.8 | A94 Y96 K100 | A94-K98 PolarHBondContact O-N 3.14Å; Y96-K98 VanDerWaalsContact C-N 3.31Å; Y96-K98 PolarHBondContact O-N 3.01Å; K98-K100 VanDerWaalsContact C-N 3.3Å; K98-K100 PolarHBondContact O-N 3.45Å |
| 99 | R | 57.5 | Low | 58 | Low | 198 Ų | 198 | 143.4 Ų | 143.4 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -74.1 | -16.6 | 175.2 | -71.9 | -165.6 | -140.4 | 177.1 | 5.7 | 114.1 | ||
| 100 | K | 54.4 | Low | 56.3 | Low | 165 Ų | 165 | 138.7 Ų | 138.7 | 72% | 0.717 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -83.5 | -18.3 | 179.9 | -66.9 | -166.7 | 177.9 | -173.1 | 0 | 114.3 | K98 | K98-K100 VanDerWaalsContact C-N 3.3Å; K98-K100 PolarHBondContact O-N 3.45Å |
| 101 | H | 53.5 | Low | 54.9 | Low | 157 Ų | 157 | 145.8 Ų | 145.8 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -90.7 | -11.1 | -176.8 | -94.2 | -75.2 | 0 | 0 | 0 | 115.5 | ||
| 102 | H | 55.3 | Low | 53.9 | Low | 180 Ų | 180 | 138.8 Ų | 138.8 | 83% | 0.833 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -90.8 | 2.9 | -178.6 | -136.1 | -72 | 0 | 0 | 0 | 114.5 | ||
| 103 | R | 54.2 | Low | 53 | Low | 241 Ų | 241 | 146.3 Ų | 146.3 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -112.7 | 10 | -179.9 | -141.9 | -176.9 | -173.3 | 167 | 2.6 | 114.4 | ||
| 104 | S | 53.8 | Low | 52.2 | Low | 104 Ų | 104 | 147.1 Ų | 147.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -133.5 | 41.4 | -175.6 | -166.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 105 | S | 53.7 | Low | 51.9 | Low | 109 Ų | 109 | 150.4 Ų | 150.4 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -120.6 | 52.5 | 173.5 | -171.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 106 | E | 56.7 | Low | 51.8 | Low | 184 Ų | 184 | 150.8 Ų | 150.8 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -154.6 | 129.7 | 166.6 | -116.4 | 168.9 | 102.2 | 0 | 0 | 109.2 | ||
| 107 | S | 48.6 | Very low | 51.9 | Low | 105 Ų | 105 | 151.2 Ų | 151.2 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 75.2 | 99.9 | 178.6 | 81.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 108 | I | 52.6 | Low | 51.8 | Low | 169 Ų | 169 | 151.5 Ų | 151.5 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | 77.6 | 95.5 | 88.6 | -65.5 | 152.1 | 0 | 0 | 0 | 111.8 | |||||
| 109 | A | 48.3 | Very low | 51.6 | Low | 88 Ų | 88 | 145.7 Ų | 145.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | 151.6 | 126.6 | 125.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 110 | P | 43.2 | Very low | 51.6 | Low | 100 Ų | 100 | 140.9 Ų | 140.9 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | trans | -76.2 | 169.7 | 171.9 | 33.9 | -29.7 | 0 | 0 | 0 | 109.5 | ||||
| 111 | F | 47.2 | Very low | 51.8 | Low | 208 Ų | 208 | 140.7 Ų | 140.7 | 91% | 0.912 | 76% | 0.755 | S | S | * | * | trans | 88.1 | 89.9 | -179.1 | -48.3 | -70.7 | 0 | 0 | 0 | 115 | ||||
| 112 | G | 43.3 | Very low | 52.3 | Low | 71 Ų | 71 | 137.7 Ų | 137.7 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | trans | -175.3 | 97.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | G114 | G112-G114 PolarHBondContact O-N 3.04Š| ||
| 113 | Y | 45.3 | Very low | 52.9 | Low | 248 Ų | 248 | 137.8 Ų | 137.8 | 97% | 0.973 | 74% | 0.741 | S | S | * | * | trans | -50.6 | 118.5 | 174 | -74.1 | -101.9 | 0 | 0 | 0 | 110.3 | ||||
| 114 | G | 46.8 | Very low | 53.5 | Low | 66 Ų | 66 | 128.8 Ų | 128.8 | 68% | 0.68 | 72% | 0.715 | S | S | * | * | trans | -140.6 | 79.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G112 N116 | G112-G114 PolarHBondContact O-N 3.04Å; G114-N116 VanDerWaalsContact C-N 3.35Å; G114-N116 PolarHBondContact O-N 3.38Å | ||
| 115 | T | 51 | Low | 54.3 | Low | 133 Ų | 133 | 126.5 Ų | 126.5 | 82% | 0.816 | 70% | 0.702 | S | S | * | * | trans | -66.5 | 81.9 | 175.4 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 116 | N | 55.1 | Low | 55.3 | Low | 150 Ų | 150 | 123.7 Ų | 123.7 | 80% | 0.802 | 69% | 0.685 | S | S | * | * | trans | -154.5 | 17.4 | 171.9 | -91.1 | -42.3 | 0 | 0 | 0 | 115.4 | G114 | G114-N116 VanDerWaalsContact C-N 3.35Å; G114-N116 PolarHBondContact O-N 3.38Å | ||
| 117 | R | 56.2 | Low | 56.2 | Low | 187 Ų | 187 | 117.7 Ų | 117.7 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -96.2 | -10.8 | 178.8 | -73.2 | -167 | -177.9 | -174.4 | 3.2 | 115.6 | G119 Y121 | R117-G119 PolarHBondContact O-N 3.49Å; R117-Y121 HydrophobicContact CB-CE2 4.39Å; R117-Y121 WeakPolarHBondContact O-CD2 2.99Å |
| 118 | I | 54.8 | Low | 57.5 | Low | 144 Ų | 144 | 121.5 Ų | 121.5 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.5 | -34.6 | -174.8 | -66.5 | 165.5 | 0 | 0 | 0 | 111.7 | D120 Y121 V122 | I118-D120 PolarHBondContact O-N 2.85Å; I118-Y121 PolarHBondContact O-N 3.17Å; I118-V122 HydrophobicContact CG2-CG2 4.3Å; I118-V122 WeakPolarHBondContact O-CG2 3.41Å; I118-V122 PolarHBondContact O-N 2.98Å |
| 119 | G | 53 | Low | 58.8 | Low | 53 Ų | 53 | 119.5 Ų | 119.5 | 55% | 0.546 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -65.6 | -35.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R117 W123 | R117-G119 PolarHBondContact O-N 3.49Å; G119-W123 PolarHBondContact O-N 3.24Å |
| 120 | D | 56.2 | Low | 60.3 | Low | 96 Ų | 96 | 121.9 Ų | 121.9 | 51% | 0.513 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72.2 | -32.2 | -178.9 | -77.9 | -47.2 | 0 | 0 | 0 | 112 | K97 I118 S124 | K97-D120 IonicContact NZ-OD1 2.86Å; K97-D120 PolarHBondContact NZ-OD1 3.19Å; I118-D120 PolarHBondContact O-N 2.85Å; D120-S124 PolarHBondContact O-N 3.28Å |
| 121 | Y | 58.2 | Low | 62.1 | Low | 161 Ų | 161 | 123 Ų | 123 | 63% | 0.631 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73 | -40 | 175.9 | -68.4 | -73.8 | 0 | 0 | 0 | 112.1 | R117 I118 S124 A125 | R117-Y121 HydrophobicContact CB-CE2 4.39Å; R117-Y121 WeakPolarHBondContact O-CD2 2.99Å; I118-Y121 PolarHBondContact O-N 3.17Å; Y121-S124 PolarHBondContact O-N 3.08Å; Y121-S124 PolarHBondContact O-OG 3.25Å; Y121-A125 PolarHBondContact O-N 3.13Å; Y121-A125 VanDerWaalsContact O-N 3.07Å |
| 122 | V | 65.3 | Low | 63.8 | Low | 95 Ų | 95 | 119.8 Ų | 119.8 | 58% | 0.576 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.1 | -43 | -179.2 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | I118 S124 A125 A126 | I118-V122 HydrophobicContact CG2-CG2 4.3Å; I118-V122 WeakPolarHBondContact O-CG2 3.41Å; I118-V122 PolarHBondContact O-N 2.98Å; V122-S124 VanDerWaalsContact C-N 3.35Å; V122-S124 PolarHBondContact O-N 3.35Å; V122-A125 PolarHBondContact O-N 3.41Å; V122-A126 PolarHBondContact O-N 2.98Å |
| 123 | W | 67.4 | Low | 65.6 | Low | 182 Ų | 182 | 122.1 Ų | 122.1 | 69% | 0.689 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65 | -39.1 | 176.7 | -173.9 | -95.7 | 0 | 0 | 0 | 112.3 | G119 A125 A126 C127 | G119-W123 PolarHBondContact O-N 3.24Å; W123-A125 VanDerWaalsContact C-N 3.28Å; W123-A125 PolarHBondContact O-N 3Å; W123-A126 PolarHBondContact O-N 2.97Å; W123-C127 WeakPolarHBondContact O-CB 3.39Å; W123-C127 PolarHBondContact O-N 3.3Å |
| 124 | S | 67 | Low | 67.2 | Low | 52 Ų | 52 | 117 Ų | 117 | 36% | 0.364 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.6 | -31.5 | 177.4 | 77 | 0 | 0 | 0 | 0 | 112.9 | D120 Y121 V122 R128 | D120-S124 PolarHBondContact O-N 3.28Å; Y121-S124 PolarHBondContact O-N 3.08Å; Y121-S124 PolarHBondContact O-OG 3.25Å; V122-S124 VanDerWaalsContact C-N 3.35Å; V122-S124 PolarHBondContact O-N 3.35Å; S124-R128 WeakPolarHBondContact O-CG 3.27Å; S124-R128 PolarHBondContact O-N 2.93Å |
| 125 | A | 71.2 | Confident | 68.9 | Low | 56 Ų | 56 | 119.4 Ų | 119.4 | 46% | 0.463 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.7 | -45.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y121 V122 W123 C127 R128 Q129 | Y121-A125 PolarHBondContact O-N 3.13Å; Y121-A125 VanDerWaalsContact O-N 3.07Å; V122-A125 PolarHBondContact O-N 3.41Å; W123-A125 VanDerWaalsContact C-N 3.28Å; W123-A125 PolarHBondContact O-N 3Å; A125-C127 VanDerWaalsContact C-N 3.32Å; A125-C127 PolarHBondContact O-N 2.74Å; A125-R128 PolarHBondContact O-N 2.93Å; A125-Q129 PolarHBondContact O-N 3.36Å |
| 126 | A | 74.4 | Confident | 70.4 | Confident | 50 Ų | 50 | 119.3 Ų | 119.3 | 41% | 0.413 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.8 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | V122 W123 Q129 Q130 | V122-A126 PolarHBondContact O-N 2.98Å; W123-A126 PolarHBondContact O-N 2.97Å; A126-Q129 PolarHBondContact O-N 3.13Å; A126-Q130 PolarHBondContact O-N 3.13Å |
| 127 | C | 75.4 | Confident | 71.6 | Confident | 58 Ų | 58 | 118.2 Ų | 118.2 | 39% | 0.392 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.1 | -36.6 | 179.9 | -148.6 | 0 | 0 | 0 | 0 | 112.4 | W123 A125 Q131 | W123-C127 WeakPolarHBondContact O-CB 3.39Å; W123-C127 PolarHBondContact O-N 3.3Å; A125-C127 VanDerWaalsContact C-N 3.32Å; A125-C127 PolarHBondContact O-N 2.74Å; C127-Q131 WeakPolarHBondContact O-CB 3.49Å; C127-Q131 PolarHBondContact O-N 3.26Å; C127-Q131 VanDerWaalsContact O-N 3.12Å |
| 128 | R | 76.4 | Confident | 72.7 | Confident | 185 Ų | 185 | 115.7 Ų | 115.7 | 70% | 0.698 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67 | -38.2 | 173.4 | -73.7 | -172.6 | -157.6 | -142.9 | 6.9 | 111.9 | S124 A125 Q131 Q132 | S124-R128 WeakPolarHBondContact O-CG 3.27Å; S124-R128 PolarHBondContact O-N 2.93Å; A125-R128 PolarHBondContact O-N 2.93Å; R128-Q131 PolarHBondContact O-N 3.18Å; R128-Q132 PolarHBondContact O-N 2.02Å |
| 129 | Q | 79.2 | Confident | 73.8 | Confident | 127 Ų | 127 | 115.2 Ų | 115.2 | 59% | 0.593 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.4 | -43.5 | 179.2 | -162.2 | 170.9 | -6.1 | 0 | 0 | 110.9 | A125 A126 Q131 Q132 E133 | A125-Q129 PolarHBondContact O-N 3.36Å; A126-Q129 PolarHBondContact O-N 3.13Å; Q129-Q131 VanDerWaalsContact C-N 3.32Å; Q129-Q131 PolarHBondContact O-N 2.87Å; Q129-Q132 PolarHBondContact O-N 3.2Å; Q129-E133 PolarHBondContact O-N 3.29Å |
| 130 | Q | 79 | Confident | 74.9 | Confident | 137 Ų | 137 | 121.1 Ų | 121.1 | 64% | 0.64 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.8 | -37.2 | 175.3 | -162.3 | 179 | 4.8 | 0 | 0 | 112.3 | A126 E133 Q134 | A126-Q130 PolarHBondContact O-N 3.13Å; Q130-E133 PolarHBondContact O-N 3.07Å; Q130-Q134 PolarHBondContact O-N 2.83Å; Q130-Q134 VanDerWaalsContact O-N 3.16Å |
| 131 | Q | 80.8 | Confident | 75.3 | Confident | 125 Ų | 125 | 125.4 Ų | 125.4 | 58% | 0.584 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.5 | -35.5 | 176.5 | -165.5 | 173.5 | 8.4 | 0 | 0 | 112.4 | C127 R128 Q129 Q135 | C127-Q131 WeakPolarHBondContact O-CB 3.49Å; C127-Q131 PolarHBondContact O-N 3.26Å; C127-Q131 VanDerWaalsContact O-N 3.12Å; R128-Q131 PolarHBondContact O-N 3.18Å; Q129-Q131 VanDerWaalsContact C-N 3.32Å; Q129-Q131 PolarHBondContact O-N 2.87Å; Q131-Q135 PolarHBondContact O-N 2.04Å |
| 132 | Q | 83.2 | Confident | 75.6 | Confident | 139 Ų | 139 | 124.6 Ų | 124.6 | 65% | 0.65 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.7 | -42.6 | 173.6 | -95.4 | -175.2 | -28.2 | 0 | 0 | 112.4 | R128 Q129 Q134 Q135 Q136 | R128-Q132 PolarHBondContact O-N 2.02Å; Q129-Q132 PolarHBondContact O-N 3.2Å; Q132-Q134 VanDerWaalsContact C-N 3.3Å; Q132-Q134 PolarHBondContact O-N 2.78Å; Q132-Q135 PolarHBondContact O-N 3.36Å; Q132-Q136 PolarHBondContact O-N 3.04Å |
| 133 | E | 81.1 | Confident | 75.3 | Confident | 120 Ų | 120 | 130.6 Ų | 130.6 | 56% | 0.561 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.6 | -39 | 176.1 | -80.9 | -174 | 92.9 | 0 | 0 | 112.1 | Q129 Q130 Q136 Q137 | Q129-E133 PolarHBondContact O-N 3.29Å; Q130-E133 PolarHBondContact O-N 3.07Å; E133-Q136 PolarHBondContact O-N 3.04Å; E133-Q137 PolarHBondContact O-N 3.2Å |
| 134 | Q | 80.4 | Confident | 74.4 | Confident | 142 Ų | 142 | 131.5 Ų | 131.5 | 66% | 0.664 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.5 | -41.4 | 177 | -126.3 | -174 | 10.2 | 0 | 0 | 112.3 | Q130 Q132 Q136 Q137 Q138 | Q130-Q134 PolarHBondContact O-N 2.83Å; Q130-Q134 VanDerWaalsContact O-N 3.16Å; Q132-Q134 VanDerWaalsContact C-N 3.3Å; Q132-Q134 PolarHBondContact O-N 2.78Å; Q134-Q136 VanDerWaalsContact C-N 3.33Å; Q134-Q136 PolarHBondContact O-N 2.91Å; Q134-Q137 PolarHBondContact O-N 3.04Å; Q134-Q138 PolarHBondContact O-N 3.46Å; Q134-Q138 VanDerWaalsContact O-N 3.09Å |
| 135 | Q | 82 | Confident | 73.8 | Confident | 116 Ų | 116 | 133.8 Ų | 133.8 | 54% | 0.542 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.7 | -37.9 | 174.4 | -80.6 | -171.3 | -5.1 | 0 | 0 | 112.2 | Q131 Q132 Q138 Q139 | Q131-Q135 PolarHBondContact O-N 2.04Å; Q132-Q135 PolarHBondContact O-N 3.36Å; Q135-Q138 PolarHBondContact O-N 3.33Å; Q135-Q139 PolarHBondContact O-N 2.85Å |
| 136 | Q | 82.6 | Confident | 72.7 | Confident | 131 Ų | 131 | 137.3 Ų | 137.3 | 61% | 0.612 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.8 | -38.7 | 178.3 | -126.4 | -177.4 | 28.6 | 0 | 0 | 112 | Q132 E133 Q134 Q139 R140 | Q132-Q136 PolarHBondContact O-N 3.04Å; E133-Q136 PolarHBondContact O-N 3.04Å; Q134-Q136 VanDerWaalsContact C-N 3.33Å; Q134-Q136 PolarHBondContact O-N 2.91Å; Q136-Q139 PolarHBondContact O-N 2.03Å; Q136-R140 PolarHBondContact O-N 3.48Å |
| 137 | Q | 79 | Confident | 71.6 | Confident | 126 Ų | 126 | 139.7 Ų | 139.7 | 59% | 0.589 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -63.3 | -41.4 | 172.9 | -77.3 | -172.6 | -7.9 | 0 | 0 | 111.9 | E133 Q134 R140 F141 | E133-Q137 PolarHBondContact O-N 3.2Å; Q134-Q137 PolarHBondContact O-N 3.04Å; Q137-R140 WeakPolarHBondContact O-CB 3.48Å; Q137-R140 PolarHBondContact O-N 3.2Å; Q137-R140 VanDerWaalsContact O-N 3.16Å; Q137-F141 PolarHBondContact O-N 3.27Å |
| 138 | Q | 79.2 | Confident | 70.4 | Confident | 135 Ų | 135 | 142.3 Ų | 142.3 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -66.5 | -39.3 | 179.6 | -156.2 | 172.8 | 39 | 0 | 0 | 112.1 | Q134 Q135 R140 F141 L142 | Q134-Q138 PolarHBondContact O-N 3.46Å; Q134-Q138 VanDerWaalsContact O-N 3.09Å; Q135-Q138 PolarHBondContact O-N 3.33Å; Q138-R140 VanDerWaalsContact C-N 3.32Å; Q138-R140 PolarHBondContact O-N 2.93Å; Q138-F141 PolarHBondContact O-N 2.92Å; Q138-L142 WeakPolarHBondContact O-CG 3.23Å; Q138-L142 PolarHBondContact O-N 3.08Å |
| 139 | Q | 79.2 | Confident | 69 | Low | 134 Ų | 134 | 142.6 Ų | 142.6 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -65 | -36.1 | 172.1 | -72.7 | -174.3 | 3.1 | 0 | 0 | 112.3 | Q135 Q136 F141 L142 R143 | Q135-Q139 PolarHBondContact O-N 2.85Å; Q136-Q139 PolarHBondContact O-N 2.03Å; Q139-F141 VanDerWaalsContact C-N 3.29Å; Q139-F141 PolarHBondContact O-N 2.83Å; Q139-L142 PolarHBondContact O-N 3.12Å; Q139-R143 WeakPolarHBondContact O-CB 3.49Å; Q139-R143 PolarHBondContact O-N 2.78Å; Q139-R143 VanDerWaalsContact O-N 3.12Å |
| 140 | R | 75 | Confident | 67.6 | Low | 177 Ų | 177 | 145.5 Ų | 145.5 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -64.7 | -36.6 | 175.9 | -140.4 | -164.1 | -67 | -179.3 | -1.2 | 111.5 | Q136 Q137 Q138 R143 | Q136-R140 PolarHBondContact O-N 3.48Å; Q137-R140 WeakPolarHBondContact O-CB 3.48Å; Q137-R140 PolarHBondContact O-N 3.2Å; Q137-R140 VanDerWaalsContact O-N 3.16Å; Q138-R140 VanDerWaalsContact C-N 3.32Å; Q138-R140 PolarHBondContact O-N 2.93Å; R140-R143 PolarHBondContact O-N 2.84Å |
| 141 | F | 66 | Low | 66.5 | Low | 186 Ų | 186 | 148.5 Ų | 148.5 | 82% | 0.816 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -69.9 | -38.7 | 176.4 | -133 | -90.1 | 0 | 0 | 0 | 112.5 | Q137 Q138 Q139 R143 | Q137-F141 PolarHBondContact O-N 3.27Å; Q138-F141 PolarHBondContact O-N 2.92Å; Q139-F141 VanDerWaalsContact C-N 3.29Å; Q139-F141 PolarHBondContact O-N 2.83Å; F141-R143 VanDerWaalsContact C-N 3.27Å; F141-R143 PolarHBondContact O-N 2.84Å |
| 142 | L | 63.9 | Low | 65.1 | Low | 144 Ų | 144 | 152.3 Ų | 152.3 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -74.3 | -15.2 | 177.7 | -69.3 | 170.1 | 0 | 0 | 0 | 113.7 | Q138 Q139 | Q138-L142 WeakPolarHBondContact O-CG 3.23Å; Q138-L142 PolarHBondContact O-N 3.08Å; Q139-L142 PolarHBondContact O-N 3.12Å |
| 143 | R | 59.5 | Low | 63.1 | Low | 221 Ų | 221 | 149 Ų | 149 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -0.6 | -179.2 | -141.4 | 179.7 | -150 | 166.6 | 6.4 | 114.4 | Q139 R140 F141 P145 | Q139-R143 WeakPolarHBondContact O-CB 3.49Å; Q139-R143 PolarHBondContact O-N 2.78Å; Q139-R143 VanDerWaalsContact O-N 3.12Å; R140-R143 PolarHBondContact O-N 2.84Å; F141-R143 VanDerWaalsContact C-N 3.27Å; F141-R143 PolarHBondContact O-N 2.84Å; R143-P145 WeakPolarHBondContact O-CD 3.19Å |
| 144 | Y | 48.2 | Very low | 61.6 | Low | 200 Ų | 200 | 150.7 Ų | 150.7 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -94 | 98.6 | 165.1 | -93.9 | -89.7 | 0 | 0 | 0 | 108.9 | S146 | Y144-S146 PolarHBondContact O-N 3.19Š|
| 145 | P | 54.2 | Low | 60.1 | Low | 101 Ų | 101 | 152 Ų | 152 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | trans | -63.7 | 133.5 | 166.9 | 27.6 | -31.5 | 0 | 0 | 0 | 108.3 | R143 S147 | R143-P145 WeakPolarHBondContact O-CD 3.19Å; P145-S147 PolarHBondContact O-N 3.43Å | ||
| 146 | S | 48.8 | Very low | 58.3 | Low | 129 Ų | 129 | 157.9 Ų | 157.9 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -51.8 | 94.7 | 172.6 | -164.9 | 0 | 0 | 0 | 0 | 110.5 | Y144 | Y144-S146 PolarHBondContact O-N 3.19Š| ||
| 147 | S | 49.9 | Very low | 56.5 | Low | 101 Ų | 101 | 157.6 Ų | 157.6 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -122.7 | 64.3 | 174.8 | 65.5 | 0 | 0 | 0 | 0 | 109.3 | P145 | P145-S147 PolarHBondContact O-N 3.43Š| ||
| 148 | S | 50.6 | Low | 55 | Low | 112 Ų | 112 | 160 Ų | 160 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -160.2 | 62.7 | 173.1 | -61.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 149 | Q | 46.4 | Very low | 53.3 | Low | 191 Ų | 191 | 160.3 Ų | 160.3 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -160.2 | 54.8 | 161.6 | -118.8 | -176 | 11 | 0 | 0 | 111.4 | ||||
| 150 | E | 50.8 | Low | 51.6 | Low | 189 Ų | 189 | 162 Ų | 162 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -127.1 | 147.3 | 153.7 | -94.6 | 177.8 | 85.1 | 0 | 0 | 105.6 | ||||
| 151 | E | 55.6 | Low | 50.7 | Low | 200 Ų | 200 | 158.9 Ų | 158.9 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | trans | 93 | 50.1 | -172.5 | -54.9 | -170.5 | 89.4 | 0 | 0 | 117 | ||||
| 152 | E | 51.1 | Low | 50.4 | Low | 205 Ų | 205 | 155 Ų | 155 | 96% | 0.958 | 81% | 0.807 | S | S | * | * | trans | -106.1 | 86.2 | 146.9 | -110.8 | -172.2 | 102.4 | 0 | 0 | 108.5 | ||||
| 153 | G | 41.2 | Very low | 50.1 | Low | 68 Ų | 68 | 153.7 Ų | 153.7 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -177.7 | 113.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 154 | L | 49.5 | Very low | 50.5 | Low | 157 Ų | 157 | 148.6 Ų | 148.6 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | 90.6 | 125.7 | 164.7 | -123.4 | 73.6 | 0 | 0 | 0 | 118.1 | ||||
| 155 | Q | 48.7 | Very low | 50.7 | Low | 168 Ų | 168 | 144.4 Ų | 144.4 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 76.9 | 96.5 | 162.6 | -57.5 | 172.6 | 19.5 | 0 | 0 | 115.1 | ||||
| 156 | R | 44 | Very low | 49.9 | Very low | 240 Ų | 240 | 150.6 Ų | 150.6 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | 37.2 | 83.2 | 50.5 | -148 | -177 | -159 | 165 | 6 | 112.4 | |||||
| 157 | T | 46.6 | Very low | 49.4 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | 178.6 | 130.6 | 115.8 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 158 | Q | 45.8 | Very low | 49.1 | Very low | 177 Ų | 177 | 149.8 Ų | 149.8 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -20.9 | 136.8 | 169 | -67.9 | 161.5 | -6.9 | 0 | 0 | 117.9 | ||||
| 159 | T | 44.5 | Very low | 48.5 | Very low | 141 Ų | 141 | 150.5 Ų | 150.5 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | -176.1 | 122 | 116.7 | -61.8 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 160 | E | 43.3 | Very low | 48.2 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -83.6 | 149.3 | -178.2 | -171.3 | -174.2 | 112.9 | 0 | 0 | 112.7 | ||||
| 161 | P | 56.4 | Low | 47.5 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | trans | -138.8 | 171.4 | 132.3 | 33.6 | -14.7 | 0 | 0 | 0 | 113.8 | ||||
| 162 | P | 59.3 | Low | 46.6 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | trans | -91.8 | 175 | -136 | 38.5 | -39.1 | 0 | 0 | 0 | 116 | ||||
| 163 | P | 57.5 | Low | 46.3 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 147.4 | -170.9 | 31.4 | -35.8 | 0 | 0 | 0 | 113.3 | ||
| 164 | P | 67.7 | Low | 46.3 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76 | 156.8 | 174.1 | 30.4 | -32.7 | 0 | 0 | 0 | 112.6 | ||
| 165 | P | 52.9 | Low | 46 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 151.7 | -164.4 | 34.5 | -34.4 | 0 | 0 | 0 | 113.5 | S167 | P165-S167 PolarHBondContact O-N 3.47Š|
| 166 | Y | 37 | Very low | 45.7 | Very low | 231 Ų | 231 | 140.4 Ų | 140.4 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | -63.9 | 114.4 | 164.1 | -53.8 | -95.4 | 0 | 0 | 0 | 109.8 | ||||
| 167 | S | 38.3 | Very low | 45.5 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | 174.3 | 116.2 | 150.4 | 43.5 | 0 | 0 | 0 | 0 | 111.9 | P165 | P165-S167 PolarHBondContact O-N 3.47Š| ||
| 168 | A | 44.1 | Very low | 45.4 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -165.8 | 96.6 | 138.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 169 | V | 38.6 | Very low | 45.6 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -49.7 | 131.5 | 157.7 | 167.7 | 0 | 0 | 0 | 0 | 109.7 | Q171 | V169-Q171 HydrophobicContact CG1-CB 4.46Š| ||
| 170 | C | 38.4 | Very low | 45.4 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 86% | 0.858 | 77% | 0.774 | S | S | * | * | trans | -131.3 | 73.3 | 151.2 | -91 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 171 | Q | 36.7 | Very low | 45.4 | Very low | 178 Ų | 178 | 132.3 Ų | 132.3 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -94.3 | 111.9 | 145.1 | -81.4 | -172.5 | 7.7 | 0 | 0 | 107 | V169 | V169-Q171 HydrophobicContact CG1-CB 4.46Š| ||
| 172 | S | 37.9 | Very low | 45.2 | Very low | 85 Ų | 85 | 138.6 Ų | 138.6 | 59% | 0.594 | 79% | 0.786 | S | S | * | * | trans | 165.6 | 123.8 | 163 | 45.1 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 173 | F | 44 | Very low | 45.1 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | cis | -156.2 | 131.8 | 47.8 | -89.5 | -94.7 | 0 | 0 | 0 | 110.6 | ||||
| 174 | L | 41.2 | Very low | 45.6 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | trans | -56.9 | 124.3 | 149.3 | -73.5 | 151 | 0 | 0 | 0 | 109.2 | ||||
| 175 | S | 42.7 | Very low | 44.8 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 166.3 | 136.3 | 160.7 | -84.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 176 | S | 42.3 | Very low | 44.9 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | cis | -165.4 | 127.2 | 14.8 | -173.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 177 | T | 41.2 | Very low | 45.7 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | 26.6 | 124.3 | 136.7 | -30.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 178 | C | 43 | Very low | 46.7 | Very low | 109 Ų | 109 | 139 Ų | 139 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | -170.1 | 113 | 125.9 | -98.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 179 | Y | 50.1 | Low | 47.8 | Very low | 225 Ų | 225 | 139.5 Ų | 139.5 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | 49.4 | 134.3 | 143.6 | -63.1 | -91 | 0 | 0 | 0 | 120.7 | ||||
| 180 | G | 40.5 | Very low | 49.2 | Very low | 65 Ų | 65 | 138.7 Ų | 138.7 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | cis | 175.7 | 130.7 | 6.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 181 | I | 44.1 | Very low | 50.3 | Low | 165 Ų | 165 | 138.9 Ų | 138.9 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | 32.4 | 118.9 | 138.9 | -49 | -179 | 0 | 0 | 0 | 119.9 | ||||
| 182 | R | 52.4 | Low | 51.9 | Low | 243 Ų | 243 | 135 Ų | 135 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | -163.4 | 115 | 124.8 | -149.1 | 174.6 | -171.7 | 179.8 | 2 | 112.4 | |||||
| 183 | P | 57.1 | Low | 53.1 | Low | 98 Ų | 98 | 138.9 Ų | 138.9 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -91 | 153.1 | 161.8 | 33.6 | -27.6 | 0 | 0 | 0 | 110.6 | ||||
| 184 | P | 66.6 | Low | 54.2 | Low | 135 Ų | 135 | 140.3 Ų | 140.3 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -80 | 125.5 | 172.6 | 31.1 | -29.3 | 0 | 0 | 0 | 110.4 | ||||
| 185 | A | 52 | Low | 54.8 | Low | 82 Ų | 82 | 138.9 Ų | 138.9 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | trans | -104.2 | 158.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 186 | N | 55.3 | Low | 55.5 | Low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | 92.1 | 121.3 | 176 | -52.7 | -7.2 | 0 | 0 | 0 | 111.9 | ||||
| 187 | D | 53.9 | Low | 56.2 | Low | 153 Ų | 153 | 142.1 Ų | 142.1 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | cis | -156.6 | 145 | 26.1 | -75.5 | -59.7 | 0 | 0 | 0 | 111.8 | ||||
| 188 | H | 59 | Low | 57.1 | Low | 191 Ų | 191 | 143.5 Ų | 143.5 | 88% | 0.884 | 82% | 0.823 | S | S | * | * | trans | -109.8 | 170.8 | 158.8 | -120.5 | 4.3 | 0 | 0 | 0 | 106.7 | ||||
| 189 | P | 65.8 | Low | 58 | Low | 110 Ų | 110 | 145.7 Ų | 145.7 | 71% | 0.714 | 83% | 0.829 | S | S | * | * | cis | -136.8 | -150.1 | 6.4 | 40.9 | -17.5 | 0 | 0 | 0 | 110.2 | ||||
| 190 | P | 68.6 | Low | 58.5 | Low | 110 Ų | 110 | 140.4 Ų | 140.4 | 71% | 0.714 | 83% | 0.825 | S | S | * | * | cis | -130.2 | 174.8 | -8 | 40.5 | -22.7 | 0 | 0 | 0 | 114.8 | ||||
| 191 | P | 62.9 | Low | 59.8 | Low | 130 Ų | 130 | 145.8 Ų | 145.8 | 84% | 0.844 | 84% | 0.836 | S | S | * | * | trans | -85.9 | 138.8 | 162.5 | 34.4 | -27.4 | 0 | 0 | 0 | 110.1 | ||||
| 192 | A | 68.5 | Low | 61 | Low | 97 Ų | 97 | 144.3 Ų | 144.3 | 80% | 0.802 | 84% | 0.835 | S | S | * | * | trans | -113.3 | 134 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 193 | D | 64.1 | Low | 61.7 | Low | 166 Ų | 166 | 136.1 Ų | 136.1 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | trans | -52.2 | 137 | 176.4 | -67.4 | -63.4 | 0 | 0 | 0 | 113.9 | ||||
| 194 | V | 66.4 | Low | 62.1 | Low | 219 Ų | 219 | 139.5 Ų | 139.5 | 100% | 1.327 | 85% | 0.846 | S | S | * | * | trans | -147.2 | 0 | 141.2 | -175.9 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 194 of 194 residues in 129.6 ms
(Link to these results)