| 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 | 55.9 | Low | 61.2 | Low | 246 Ų | 246 | 143.9 Ų | 143.9 | 100% | 1.212 | 85% | 0.848 | S | S | * | * | 0 | 148.4 | 0 | -102.9 | -173.9 | 167.2 | 0 | 0 | 110.3 | |||||
| 2 | S | 57.7 | Low | 62.5 | Low | 111 Ų | 111 | 151.9 Ų | 151.9 | 78% | 0.776 | 85% | 0.853 | S | S | * | * | trans | 78.6 | 86.3 | 165.7 | -161.3 | 0 | 0 | 0 | 0 | 117.2 | R4 | S2-R4 PolarHBondContact O-N 2.86Š| ||
| 3 | G | 58.8 | Low | 64 | Low | 81 Ų | 81 | 147.2 Ų | 147.2 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | trans | -64.4 | 106.1 | 156 | 0 | 0 | 0 | 0 | 0 | 109 | G5 | G3-G5 PolarHBondContact O-N 3.27Å; G3-G5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | R | 62.4 | Low | 65.5 | Low | 244 Ų | 244 | 150.9 Ų | 150.9 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | trans | -73.8 | 108.3 | 179.8 | -160.5 | 148.1 | 179.4 | 153.3 | -3.2 | 108.5 | S2 | S2-R4 PolarHBondContact O-N 2.86Š| ||
| 5 | G | 59.1 | Low | 67.1 | Low | 58 Ų | 58 | 147 Ų | 147 | 60% | 0.598 | 84% | 0.841 | S | S | * | * | trans | -49.2 | 134.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G3 Q7 | G3-G5 PolarHBondContact O-N 3.27Å; G3-G5 VanDerWaalsContact O-N 3.14Å; G5-Q7 PolarHBondContact O-N 2.89Å | ||
| 6 | K | 59 | Low | 68.7 | Low | 213 Ų | 213 | 147.6 Ų | 147.6 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | trans | -61.9 | 84.2 | 168.1 | -165.1 | 176.9 | -173.6 | 178.9 | 0 | 107.4 | G8 | K6-G8 PolarHBondContact O-N 2.88Å; K6-G8 VanDerWaalsContact O-N 3.11Å | ||
| 7 | Q | 57.4 | Low | 70.3 | Confident | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | -48.8 | 122.1 | 174.4 | -83.2 | 179.7 | -14.8 | 0 | 0 | 107.6 | G5 G9 | G5-Q7 PolarHBondContact O-N 2.89Å; Q7-G9 PolarHBondContact O-N 2.89Å | ||
| 8 | G | 56.2 | Low | 71.8 | Confident | 70 Ų | 70 | 141.2 Ų | 141.2 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | -41.5 | 113 | -176.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | K6 K10 | K6-G8 PolarHBondContact O-N 2.88Å; K6-G8 VanDerWaalsContact O-N 3.11Å; G8-K10 PolarHBondContact O-N 2.96Å | ||
| 9 | G | 63 | Low | 73.2 | Confident | 74 Ų | 74 | 134.5 Ų | 134.5 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | -61.3 | 101.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q7 A11 | Q7-G9 PolarHBondContact O-N 2.89Å; G9-A11 PolarHBondContact O-N 2.73Å; G9-A11 VanDerWaalsContact O-N 3.07Å | ||
| 10 | K | 68.7 | Low | 74.4 | Confident | 201 Ų | 201 | 131.1 Ų | 131.1 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | trans | -45.8 | 122.7 | 166.9 | -73.2 | -179.2 | 177.5 | 178.3 | 0 | 106.2 | G8 R12 | G8-K10 PolarHBondContact O-N 2.96Å; K10-R12 PolarHBondContact O-N 3.01Å | ||
| 11 | A | 74.6 | Confident | 75.4 | Confident | 102 Ų | 102 | 133.7 Ų | 133.7 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | -47.3 | 110.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | G9 A13 | G9-A11 PolarHBondContact O-N 2.73Å; G9-A11 VanDerWaalsContact O-N 3.07Å; A11-A13 PolarHBondContact O-N 3.11Å | ||
| 12 | R | 77.2 | Confident | 77.4 | Confident | 240 Ų | 240 | 124 Ų | 124 | 91% | 0.906 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 119.7 | -173.3 | -173 | 177.2 | -178.8 | 179.8 | 1.6 | 106.9 | K10 K14 | K10-R12 PolarHBondContact O-N 3.01Å; R12-K14 PolarHBondContact O-N 3.34Å |
| 13 | A | 82.2 | Confident | 79.3 | Confident | 90 Ų | 90 | 121.6 Ų | 121.6 | 74% | 0.744 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 132.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | A11 A15 | A11-A13 PolarHBondContact O-N 3.11Å; A13-A15 PolarHBondContact O-N 3.29Å |
| 14 | K | 85 | Confident | 81.2 | Confident | 199 Ų | 199 | 118.9 Ų | 118.9 | 87% | 0.865 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 131.1 | -179.5 | -73.6 | -177.5 | 179.8 | 176.8 | 0 | 109 | R12 K16 | R12-K14 PolarHBondContact O-N 3.34Å; K14-K16 PolarHBondContact O-N 3.42Å; K14-K16 VanDerWaalsContact O-N 3.13Å |
| 15 | A | 89.3 | Confident | 82.9 | Confident | 93 Ų | 93 | 115.2 Ų | 115.2 | 77% | 0.769 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 119 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | A13 T17 | A13-A15 PolarHBondContact O-N 3.29Å; A15-T17 PolarHBondContact O-N 3.14Å |
| 16 | K | 93 | Very high | 84.8 | Confident | 156 Ų | 156 | 115.3 Ų | 115.3 | 68% | 0.678 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 130.5 | 173.2 | -67.7 | -172.1 | -180 | -176.1 | 0 | 109.8 | K14 R21 | K14-K16 PolarHBondContact O-N 3.42Å; K14-K16 VanDerWaalsContact O-N 3.13Å; K16-R21 HydrophobicContact CB-CG 4.13Å; K16-R21 PolarHBondContact O-NE 2.87Å |
| 17 | T | 95.9 | Very high | 86.7 | Confident | 84 Ų | 84 | 107.3 Ų | 107.3 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -69 | 155.5 | 178 | 69.7 | 0 | 0 | 0 | 0 | 110.6 | A15 S19 S20 R21 | A15-T17 PolarHBondContact O-N 3.14Å; T17-S19 PolarHBondContact O-N 2.86Å; T17-S20 PolarHBondContact N-OG 3.17Å; T17-S20 PolarHBondContact O-N 3.34Å; T17-S20 PolarHBondContact O-OG 3.48Å; T17-S20 WeakPolarHBondContact OG1-CB 3.4Å; T17-S20 PolarHBondContact OG1-N 3.36Å; T17-S20 PolarHBondContact OG1-OG 3.28Å; T17-S20 VanDerWaalsContact OG1-OG 3.13Å; T17-R21 WeakPolarHBondContact O-CG 3.35Å; T17-R21 PolarHBondContact O-N 3.22Å |
| 18 | R | 96.7 | Very high | 88.6 | Confident | 96 Ų | 96 | 98.6 Ų | 98.6 | 36% | 0.362 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.3 | -37 | 173.8 | -73.4 | -168.7 | -75.3 | 162.5 | -2 | 112.6 | R21 A22 V28 H32 | R18-R21 PolarHBondContact O-N 3.26Å; R18-A22 WeakPolarHBondContact O-CB 3.38Å; R18-A22 PolarHBondContact O-N 3.26Å; R18-V28 HydrophobicContact CB-CB 4.1Å; R18-V28 HydrophobicContact CB-CG1 3.83Å; R18-H32 PolarHBondContact NH1-ND1 3.23Å; R18-H32 VanDerWaalsContact NH2-CB 3.33Å; R18-H32 PolarHBondContact NH2-ND1 3.28Å; R18-H32 VanDerWaalsContact NH2-ND1 3.11Å |
| 19 | S | 98.1 | Very high | 90.6 | Very high | 15 Ų | 15 | 97 Ų | 97 | 11% | 0.105 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -60 | -51.3 | 173.7 | -63 | 0 | 0 | 0 | 0 | 111.9 | T17 R21 A22 G23 L24 F26 P27 V28 | T17-S19 PolarHBondContact O-N 2.86Å; S19-R21 PolarHBondContact O-N 3.34Å; S19-A22 CarbonylContact O-C 3.53Å; S19-A22 PolarHBondContact O-N 3.25Å; S19-G23 PolarHBondContact O-N 3.27Å; S19-L24 CarbonylContact C-O 3.51Å; S19-L24 WeakPolarHBondContact CB-O 3.5Å; S19-L24 PolarHBondContact O-N 2.94Å; S19-F26 WeakPolarHBondContact CB-O 3.49Å; S19-F26 PolarHBondContact OG-O 3.06Å; S19-P27 WeakPolarHBondContact OG-CA 3.46Å; S19-V28 PolarHBondContact OG-N 3.11Å |
| 20 | S | 97 | Very high | 92.3 | Very high | 66 Ų | 66 | 100.6 Ų | 100.6 | 46% | 0.462 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -30.6 | 178.4 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | T17 | T17-S20 PolarHBondContact N-OG 3.17Å; T17-S20 PolarHBondContact O-N 3.34Å; T17-S20 PolarHBondContact O-OG 3.48Å; T17-S20 WeakPolarHBondContact OG1-CB 3.4Å; T17-S20 PolarHBondContact OG1-N 3.36Å; T17-S20 PolarHBondContact OG1-OG 3.28Å; T17-S20 VanDerWaalsContact OG1-OG 3.13Å |
| 21 | R | 96.8 | Very high | 93.7 | Very high | 186 Ų | 186 | 91.9 Ų | 91.9 | 70% | 0.702 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -74.1 | -31.5 | 174 | -68.6 | 176.8 | -174.6 | -172.1 | -0.9 | 112.9 | K16 T17 R18 S19 | K16-R21 HydrophobicContact CB-CG 4.13Å; K16-R21 PolarHBondContact O-NE 2.87Å; T17-R21 WeakPolarHBondContact O-CG 3.35Å; T17-R21 PolarHBondContact O-N 3.22Å; R18-R21 PolarHBondContact O-N 3.26Å; S19-R21 PolarHBondContact O-N 3.34Å |
| 22 | A | 97.5 | Very high | 94.9 | Very high | 41 Ų | 41 | 88.7 Ų | 88.7 | 34% | 0.339 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -86.6 | -6.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R18 S19 L24 V50 | R18-A22 WeakPolarHBondContact O-CB 3.38Å; R18-A22 PolarHBondContact O-N 3.26Å; S19-A22 CarbonylContact O-C 3.53Å; S19-A22 PolarHBondContact O-N 3.25Å; A22-L24 VanDerWaalsContact C-N 3.31Å; A22-L24 HydrophobicContact CB-CD1 3.96Å; A22-L24 HydrophobicContact CB-CG 4.01Å; A22-V50 HydrophobicContact CB-CG1 3.85Å |
| 23 | G | 97.8 | Very high | 95.9 | Very high | 62 Ų | 62 | 85.2 Ų | 85.2 | 64% | 0.639 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 22 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S19 | S19-G23 PolarHBondContact O-N 3.27Š|
| 24 | L | 98.5 | Very high | 96.6 | Very high | 24 Ų | 24 | 85.4 Ų | 85.4 | 13% | 0.126 | 44% | 0.439 | C | S | . | . | trans | -104.8 | 138.9 | -176 | -62.5 | 175.2 | 0 | 0 | 0 | 111.3 | S19 A22 V28 V50 A53 A54 E57 | S19-L24 CarbonylContact C-O 3.51Å; S19-L24 WeakPolarHBondContact CB-O 3.5Å; S19-L24 PolarHBondContact O-N 2.94Å; A22-L24 VanDerWaalsContact C-N 3.31Å; A22-L24 HydrophobicContact CB-CD1 3.96Å; A22-L24 HydrophobicContact CB-CG 4.01Å; L24-V28 HydrophobicContact CD1-CG2 3.81Å; L24-V50 HydrophobicContact CD1-CG1 4.3Å; L24-A53 HydrophobicContact CD1-CB 3.95Å; L24-A54 HydrophobicContact CD1-CB 4.04Å; L24-A54 HydrophobicContact CD2-CB 3.85Å; L24-E57 WeakPolarHBondContact CA-OE2 3.32Å; L24-E57 WeakPolarHBondContact CB-OE2 3.11Å | ||
| 25 | Q | 98.4 | Very high | 97.2 | Very high | 167 Ų | 167 | 77.5 Ų | 77.5 | 78% | 0.78 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -73.7 | -32.1 | 164.7 | -62.3 | -56.4 | -39.9 | 0 | 0 | 111.3 | E57 | Q25-E57 PolarHBondContact N-OE1 3.01Å; Q25-E57 PolarHBondContact N-OE2 3.23Å |
| 26 | F | 98.5 | Very high | 97.6 | Very high | 60 Ų | 60 | 79.4 Ų | 79.4 | 26% | 0.263 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -72.1 | 144.3 | -176.4 | -84.4 | 37.4 | 0 | 0 | 0 | 111.5 | S19 V28 A53 L56 E57 T60 | S19-F26 WeakPolarHBondContact CB-O 3.49Å; S19-F26 PolarHBondContact OG-O 3.06Å; F26-V28 PolarHBondContact O-N 3.15Å; F26-A53 HydrophobicContact CB-CB 4.29Å; F26-L56 HydrophobicContact CD2-CB 3.76Å; F26-L56 VanDerWaalsContact CE2-C 3.5Å; F26-L56 HydrophobicContact CE2-CB 3.83Å; F26-L56 WeakPolarHBondContact CE2-O 3.46Å; F26-E57 HydrophobicContact CB-CB 4.09Å; F26-E57 WeakPolarHBondContact CB-OE2 3.3Å; F26-E57 HydrophobicContact CD1-CB 3.78Å; F26-E57 HydrophobicContact CD1-CG 3.78Å; F26-E57 HydrophobicContact CD2-CB 4.01Å; F26-E57 HydrophobicContact CE1-CB 4.22Å; F26-E57 HydrophobicContact CE1-CG 4.17Å; F26-E57 HydrophobicContact CE2-CB 4.42Å; F26-E57 HydrophobicContact CG-CB 3.69Å; F26-E57 HydrophobicContact CG-CG 4.19Å; F26-E57 PolarHBondContact N-OE2 2.83Å; F26-T60 HydrophobicContact CZ-CG2 3.86Å; F26-T60 WeakPolarHBondContact CZ-OG1 3.39Å |
| 27 | P | 98.4 | Very high | 97.8 | Very high | 45 Ų | 45 | 80.1 Ų | 80.1 | 29% | 0.292 | 40% | 0.397 | S | S | . | . | trans | -82.3 | 86.3 | -167.8 | 32.7 | -37.3 | 0 | 0 | 0 | 112.9 | S19 G29 R30 V31 | S19-P27 WeakPolarHBondContact OG-CA 3.46Å; P27-G29 PolarHBondContact O-N 3.04Å; P27-G29 VanDerWaalsContact O-N 3.1Å; P27-R30 HydrophobicContact CB-CB 3.82Å; P27-R30 HydrophobicContact CG-CB 3.91Å; P27-R30 WeakPolarHBondContact O-CB 3.28Å; P27-R30 PolarHBondContact O-N 3.19Å; P27-V31 PolarHBondContact O-N 2.73Å | ||
| 28 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -48.7 | -40.3 | 175.2 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | R18 S19 L24 F26 R30 V31 H32 P49 V50 A53 | R18-V28 HydrophobicContact CB-CB 4.1Å; R18-V28 HydrophobicContact CB-CG1 3.83Å; S19-V28 PolarHBondContact OG-N 3.11Å; L24-V28 HydrophobicContact CD1-CG2 3.81Å; F26-V28 PolarHBondContact O-N 3.15Å; V28-R30 PolarHBondContact O-N 3.02Å; V28-V31 PolarHBondContact O-N 3.28Å; V28-H32 PolarHBondContact O-N 3.26Å; V28-P49 HydrophobicContact CG1-CB 4.25Å; V28-P49 HydrophobicContact CG1-CG 4.45Å; V28-V50 HydrophobicContact CG1-CG2 3.73Å; V28-A53 HydrophobicContact CG2-CB 3.9Å |
| 29 | G | 98 | Very high | 97.8 | Very high | 37 Ų | 37 | 79.9 Ų | 79.9 | 38% | 0.381 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P27 R33 | P27-G29 PolarHBondContact O-N 3.04Å; P27-G29 VanDerWaalsContact O-N 3.1Å; G29-R33 PolarHBondContact O-N 2.94Å |
| 30 | R | 98.4 | Very high | 97.7 | Very high | 148 Ų | 148 | 87.7 Ų | 87.7 | 56% | 0.558 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -70.1 | -43.8 | 179.1 | -173.3 | -176.2 | -63.4 | 156.3 | 0.8 | 110.7 | P27 V28 H32 R33 L34 | P27-R30 HydrophobicContact CB-CB 3.82Å; P27-R30 HydrophobicContact CG-CB 3.91Å; P27-R30 WeakPolarHBondContact O-CB 3.28Å; P27-R30 PolarHBondContact O-N 3.19Å; V28-R30 PolarHBondContact O-N 3.02Å; R30-H32 VanDerWaalsContact C-N 3.34Å; R30-H32 PolarHBondContact O-N 3.41Å; R30-R33 PolarHBondContact O-N 2.87Å; R30-L34 HydrophobicContact CG-CD1 4.19Å; R30-L34 WeakPolarHBondContact O-CG 3.17Å; R30-L34 PolarHBondContact O-N 3.05Å |
| 31 | V | 98.4 | Very high | 97.7 | Very high | 18 Ų | 18 | 87.4 Ų | 87.4 | 11% | 0.109 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 176.3 | 177 | 0 | 0 | 0 | 0 | 110.5 | P27 V28 R33 L34 L35 P49 L52 A53 | P27-V31 PolarHBondContact O-N 2.73Å; V28-V31 PolarHBondContact O-N 3.28Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 3.36Å; V31-L34 PolarHBondContact O-N 3.1Å; V31-L35 HydrophobicContact CG1-CD1 4.06Å; V31-L35 HydrophobicContact CG1-CG 4.29Å; V31-L35 WeakPolarHBondContact O-CG 3.41Å; V31-L35 PolarHBondContact O-N 2.98Å; V31-P49 HydrophobicContact CB-CB 4.27Å; V31-P49 HydrophobicContact CG1-CB 4.03Å; V31-L52 HydrophobicContact CG1-CB 4.12Å; V31-L52 HydrophobicContact CG1-CD2 3.8Å; V31-L52 HydrophobicContact CG1-CG 4.07Å; V31-A53 HydrophobicContact CG2-CB 4.17Å |
| 32 | H | 98.4 | Very high | 97.6 | Very high | 35 Ų | 35 | 87.9 Ų | 87.9 | 16% | 0.162 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 176.7 | -172.9 | -149.1 | 0 | 0 | 0 | 112.9 | R18 V28 R30 L34 L35 R36 P49 | R18-H32 PolarHBondContact NH1-ND1 3.23Å; R18-H32 VanDerWaalsContact NH2-CB 3.33Å; R18-H32 PolarHBondContact NH2-ND1 3.28Å; R18-H32 VanDerWaalsContact NH2-ND1 3.11Å; V28-H32 PolarHBondContact O-N 3.26Å; R30-H32 VanDerWaalsContact C-N 3.34Å; R30-H32 PolarHBondContact O-N 3.41Å; H32-L34 VanDerWaalsContact C-N 3.34Å; H32-L35 PolarHBondContact O-N 2.85Å; H32-R36 PolarHBondContact CE1-NE 2.93Å; H32-R36 PolarHBondContact NE2-NE 2.97Å; H32-R36 PolarHBondContact O-N 3.33Å; H32-R36 VanDerWaalsContact O-N 3.14Å; H32-P49 HydrophobicContact CB-CB 3.61Å; H32-P49 HydrophobicContact CB-CG 3.72Å |
| 33 | R | 98.1 | Very high | 97.6 | Very high | 168 Ų | 168 | 96.5 Ų | 96.5 | 63% | 0.634 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 178.4 | -175.4 | -177.7 | 66.6 | 178.3 | 2.8 | 111.3 | G29 R30 V31 R36 K37 | G29-R33 PolarHBondContact O-N 2.94Å; R30-R33 PolarHBondContact O-N 2.87Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 3.36Å; R33-R36 PolarHBondContact O-N 2.96Å; R33-K37 PolarHBondContact O-N 2.92Å |
| 34 | L | 98.3 | Very high | 97.6 | Very high | 93 Ų | 93 | 94.5 Ų | 94.5 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 179 | -69 | 175 | 0 | 0 | 0 | 112.2 | R30 V31 H32 R36 K37 G38 | R30-L34 HydrophobicContact CG-CD1 4.19Å; R30-L34 WeakPolarHBondContact O-CG 3.17Å; R30-L34 PolarHBondContact O-N 3.05Å; V31-L34 PolarHBondContact O-N 3.1Å; H32-L34 VanDerWaalsContact C-N 3.34Å; L34-R36 VanDerWaalsContact C-N 3.29Å; L34-R36 PolarHBondContact O-N 3.28Å; L34-K37 PolarHBondContact O-N 3.4Å; L34-G38 PolarHBondContact O-N 3.33Å |
| 35 | L | 97.9 | Very high | 97.5 | Very high | 33 Ų | 33 | 95.5 Ų | 95.5 | 17% | 0.173 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -57.4 | -41.9 | 174.3 | -74.8 | 175.8 | 0 | 0 | 0 | 112.1 | V31 H32 Y40 V44 A48 P49 L52 | V31-L35 HydrophobicContact CG1-CD1 4.06Å; V31-L35 HydrophobicContact CG1-CG 4.29Å; V31-L35 WeakPolarHBondContact O-CG 3.41Å; V31-L35 PolarHBondContact O-N 2.98Å; H32-L35 PolarHBondContact O-N 2.85Å; L35-Y40 HydrophobicContact CD2-CD2 4.06Å; L35-Y40 HydrophobicContact CD2-CE2 4.28Å; L35-Y40 WeakPolarHBondContact O-CD2 3.34Å; L35-V44 HydrophobicContact CB-CG1 4.11Å; L35-V44 HydrophobicContact CB-CG2 4.29Å; L35-V44 HydrophobicContact CD1-CG1 4.05Å; L35-A48 HydrophobicContact CD1-CB 4.5Å; L35-P49 HydrophobicContact CD1-CB 4.16Å; L35-L52 HydrophobicContact CD1-CD2 4.26Å; L35-L52 HydrophobicContact CD2-CD2 3.85Å; L35-L52 HydrophobicContact CG-CD2 4.29Å |
| 36 | R | 96.8 | Very high | 97.4 | Very high | 133 Ų | 133 | 91.3 Ų | 91.3 | 50% | 0.502 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 174.9 | -73.7 | -175.4 | 175.9 | -95.7 | -5.4 | 112.6 | H32 R33 L34 G38 N39 V44 | H32-R36 PolarHBondContact CE1-NE 2.93Å; H32-R36 PolarHBondContact NE2-NE 2.97Å; H32-R36 PolarHBondContact O-N 3.33Å; H32-R36 VanDerWaalsContact O-N 3.14Å; R33-R36 PolarHBondContact O-N 2.96Å; L34-R36 VanDerWaalsContact C-N 3.29Å; L34-R36 PolarHBondContact O-N 3.28Å; R36-G38 VanDerWaalsContact C-N 3.25Å; R36-G38 PolarHBondContact O-N 3.03Å; R36-N39 PolarHBondContact O-N 3.41Å; R36-N39 PolarHBondContact O-OD1 3.31Å; R36-V44 HydrophobicContact CG-CB 4.3Å; R36-V44 HydrophobicContact CG-CG2 4.08Å |
| 37 | K | 97.5 | Very high | 97.4 | Very high | 172 Ų | 172 | 90.8 Ų | 90.8 | 75% | 0.748 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.7 | -32.3 | 178.2 | -174.3 | 179.5 | 177.4 | -175.7 | 0 | 112.2 | R33 L34 N39 | R33-K37 PolarHBondContact O-N 2.92Å; L34-K37 PolarHBondContact O-N 3.4Å; K37-N39 PolarHBondContact O-N 2.98Å |
| 38 | G | 97.2 | Very high | 97.4 | Very high | 35 Ų | 35 | 90.9 Ų | 90.9 | 36% | 0.361 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | L34 R36 Y40 | L34-G38 PolarHBondContact O-N 3.33Å; R36-G38 VanDerWaalsContact C-N 3.25Å; R36-G38 PolarHBondContact O-N 3.03Å; G38-Y40 PolarHBondContact O-N 3.37Å; G38-Y40 VanDerWaalsContact O-N 3.1Å |
| 39 | N | 95.6 | Very high | 97.4 | Very high | 139 Ų | 139 | 90.9 Ų | 90.9 | 74% | 0.743 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 33.4 | -179.8 | -63.3 | -27.7 | 0 | 0 | 0 | 114.1 | R36 K37 A41 | R36-N39 PolarHBondContact O-N 3.41Å; R36-N39 PolarHBondContact O-OD1 3.31Å; K37-N39 PolarHBondContact O-N 2.98Å; N39-A41 PolarHBondContact O-N 3.03Å |
| 40 | Y | 95.3 | Very high | 97.4 | Very high | 179 Ų | 179 | 91.5 Ų | 91.5 | 70% | 0.702 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -68.3 | -19.8 | -177.4 | -59 | -69.2 | 0 | 0 | 0 | 113.9 | L35 G38 | L35-Y40 HydrophobicContact CD2-CD2 4.06Å; L35-Y40 HydrophobicContact CD2-CE2 4.28Å; L35-Y40 WeakPolarHBondContact O-CD2 3.34Å; G38-Y40 PolarHBondContact O-N 3.37Å; G38-Y40 VanDerWaalsContact O-N 3.1Å |
| 41 | A | 96.3 | Very high | 97.4 | Very high | 61 Ų | 61 | 92.8 Ų | 92.8 | 50% | 0.504 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -160.2 | 156.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | N39 R43 | N39-A41 PolarHBondContact O-N 3.03Å; A41-R43 PolarHBondContact O-N 3.29Å |
| 42 | E | 96.3 | Very high | 97.4 | Very high | 196 Ų | 196 | 95 Ų | 95 | 92% | 0.916 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -58.9 | -36.7 | 174.9 | -63.4 | -178.4 | 174.2 | 0 | 0 | 112.4 | ||
| 43 | R | 97.4 | Very high | 97.4 | Very high | 221 Ų | 221 | 93.3 Ų | 93.3 | 83% | 0.834 | 48% | 0.479 | S | S | * | . | trans | -130.3 | 126.6 | -179.3 | -62 | -179.9 | 72.1 | 164.2 | 1.7 | 110.5 | A41 | A41-R43 PolarHBondContact O-N 3.29Š| ||
| 44 | V | 97.1 | Very high | 97.5 | Very high | 20 Ų | 20 | 87 Ų | 87 | 12% | 0.121 | 46% | 0.463 | C | S | . | . | trans | -100.9 | 112.8 | 171.1 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | L35 R36 A48 | L35-V44 HydrophobicContact CB-CG1 4.11Å; L35-V44 HydrophobicContact CB-CG2 4.29Å; L35-V44 HydrophobicContact CD1-CG1 4.05Å; R36-V44 HydrophobicContact CG-CB 4.3Å; R36-V44 HydrophobicContact CG-CG2 4.08Å; V44-A48 HydrophobicContact CG1-CB 4.16Å | ||
| 45 | G | 97.5 | Very high | 97.5 | Very high | 46 Ų | 46 | 85.1 Ų | 85.1 | 47% | 0.474 | 46% | 0.455 | S | S | . | . | trans | -64.1 | 152.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G47 A48 P49 | G45-G47 VanDerWaalsContact C-N 3.27Å; G45-G47 PolarHBondContact O-N 3.39Å; G45-A48 WeakPolarHBondContact O-CB 3.38Å; G45-A48 PolarHBondContact O-N 3.12Å; G45-P49 WeakPolarHBondContact O-CD 3.23Å | ||
| 46 | A | 95.6 | Very high | 97.5 | Very high | 79 Ų | 79 | 87 Ų | 87 | 65% | 0.653 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -64.5 | -29.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P49 | A46-P49 WeakPolarHBondContact O-CD 3.46Å; A46-P49 WeakPolarHBondContact O-CG 3.46Å |
| 47 | G | 97.8 | Very high | 97.6 | Very high | 49 Ų | 49 | 82.4 Ų | 82.4 | 51% | 0.505 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -77.5 | -27.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G45 V50 Y51 | G45-G47 VanDerWaalsContact C-N 3.27Å; G45-G47 PolarHBondContact O-N 3.39Å; G47-V50 WeakPolarHBondContact O-CB 3.49Å; G47-V50 PolarHBondContact O-N 2.8Å; G47-Y51 PolarHBondContact O-N 3.25Å |
| 48 | A | 98.4 | Very high | 97.7 | Very high | 46 Ų | 46 | 81 Ų | 81 | 38% | 0.38 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -53.4 | -49.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L35 V44 G45 V50 Y51 L52 | L35-A48 HydrophobicContact CD1-CB 4.5Å; V44-A48 HydrophobicContact CG1-CB 4.16Å; G45-A48 WeakPolarHBondContact O-CB 3.38Å; G45-A48 PolarHBondContact O-N 3.12Å; A48-V50 VanDerWaalsContact C-N 3.29Å; A48-V50 PolarHBondContact O-N 2.86Å; A48-Y51 PolarHBondContact O-N 2.95Å; A48-L52 WeakPolarHBondContact O-CB 3.32Å; A48-L52 PolarHBondContact O-N 3.39Å |
| 49 | P | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -70.2 | -21.7 | 176.8 | 28.6 | -37.5 | 0 | 0 | 0 | 114.3 | V28 V31 H32 L35 G45 A46 A53 | V28-P49 HydrophobicContact CG1-CB 4.25Å; V28-P49 HydrophobicContact CG1-CG 4.45Å; V31-P49 HydrophobicContact CB-CB 4.27Å; V31-P49 HydrophobicContact CG1-CB 4.03Å; H32-P49 HydrophobicContact CB-CB 3.61Å; H32-P49 HydrophobicContact CB-CG 3.72Å; L35-P49 HydrophobicContact CD1-CB 4.16Å; G45-P49 WeakPolarHBondContact O-CD 3.23Å; A46-P49 WeakPolarHBondContact O-CD 3.46Å; A46-P49 WeakPolarHBondContact O-CG 3.46Å; P49-A53 WeakPolarHBondContact O-CB 3.34Å; P49-A53 PolarHBondContact O-N 2.95Å |
| 50 | V | 98.6 | Very high | 97.9 | Very high | 50 Ų | 50 | 77.8 Ų | 77.8 | 30% | 0.303 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -73.3 | -51 | 174.6 | 179.7 | 0 | 0 | 0 | 0 | 109 | A22 L24 V28 G47 A48 A53 A54 | A22-V50 HydrophobicContact CB-CG1 3.85Å; L24-V50 HydrophobicContact CD1-CG1 4.3Å; V28-V50 HydrophobicContact CG1-CG2 3.73Å; G47-V50 WeakPolarHBondContact O-CB 3.49Å; G47-V50 PolarHBondContact O-N 2.8Å; A48-V50 VanDerWaalsContact C-N 3.29Å; A48-V50 PolarHBondContact O-N 2.86Å; V50-A53 PolarHBondContact O-N 3.18Å; V50-A54 WeakPolarHBondContact O-CB 3.46Å; V50-A54 PolarHBondContact O-N 3.39Å |
| 51 | Y | 98.7 | Very high | 98 | Very high | 175 Ų | 175 | 71.9 Ų | 71.9 | 69% | 0.686 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.3 | -50.6 | 178.2 | -176.6 | -96.2 | 0 | 0 | 0 | 111.7 | G47 A48 A53 A54 V55 | G47-Y51 PolarHBondContact O-N 3.25Å; A48-Y51 PolarHBondContact O-N 2.95Å; Y51-A53 VanDerWaalsContact C-N 3.34Å; Y51-A53 PolarHBondContact O-N 3.22Å; Y51-A54 WeakPolarHBondContact O-CB 3.3Å; Y51-A54 PolarHBondContact O-N 3.4Å; Y51-A54 VanDerWaalsContact O-N 3.17Å; Y51-V55 HydrophobicContact CD1-CG2 4.24Å; Y51-V55 HydrophobicContact CE1-CG2 3.83Å; Y51-V55 HydrophobicContact CE2-CG2 4.48Å; Y51-V55 WeakPolarHBondContact O-CG2 3.44Å; Y51-V55 PolarHBondContact O-N 3.28Å |
| 52 | L | 98.6 | Very high | 98.1 | Very high | 65 Ų | 65 | 72.3 Ų | 72.3 | 34% | 0.34 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 179.6 | -178.6 | 58.8 | 0 | 0 | 0 | 112.1 | V31 L35 A48 A54 V55 L56 | V31-L52 HydrophobicContact CG1-CB 4.12Å; V31-L52 HydrophobicContact CG1-CD2 3.8Å; V31-L52 HydrophobicContact CG1-CG 4.07Å; L35-L52 HydrophobicContact CD1-CD2 4.26Å; L35-L52 HydrophobicContact CD2-CD2 3.85Å; L35-L52 HydrophobicContact CG-CD2 4.29Å; A48-L52 WeakPolarHBondContact O-CB 3.32Å; A48-L52 PolarHBondContact O-N 3.39Å; L52-A54 VanDerWaalsContact C-N 3.33Å; L52-A54 PolarHBondContact O-N 3.42Å; L52-V55 PolarHBondContact O-N 2.78Å; L52-L56 HydrophobicContact CD1-CD1 4.26Å; L52-L56 HydrophobicContact CD1-CG 4.2Å; L52-L56 HydrophobicContact CG-CD1 4.09Å; L52-L56 HydrophobicContact CG-CG 4.48Å; L52-L56 WeakPolarHBondContact O-CB 3.36Å; L52-L56 WeakPolarHBondContact O-CG 3.43Å; L52-L56 PolarHBondContact O-N 2.89Å |
| 53 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.9 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L24 F26 V28 V31 P49 V50 Y51 L56 E57 | L24-A53 HydrophobicContact CD1-CB 3.95Å; F26-A53 HydrophobicContact CB-CB 4.29Å; V28-A53 HydrophobicContact CG2-CB 3.9Å; V31-A53 HydrophobicContact CG2-CB 4.17Å; P49-A53 WeakPolarHBondContact O-CB 3.34Å; P49-A53 PolarHBondContact O-N 2.95Å; V50-A53 PolarHBondContact O-N 3.18Å; Y51-A53 VanDerWaalsContact C-N 3.34Å; Y51-A53 PolarHBondContact O-N 3.22Å; A53-L56 PolarHBondContact O-N 2.76Å; A53-E57 WeakPolarHBondContact O-CB 3.21Å; A53-E57 PolarHBondContact O-N 3.28Å |
| 54 | A | 98.8 | Very high | 98.3 | Very high | 36 Ų | 36 | 58.1 Ų | 58.1 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L24 V50 Y51 L52 L56 E57 Y58 | L24-A54 HydrophobicContact CD1-CB 4.04Å; L24-A54 HydrophobicContact CD2-CB 3.85Å; V50-A54 WeakPolarHBondContact O-CB 3.46Å; V50-A54 PolarHBondContact O-N 3.39Å; Y51-A54 WeakPolarHBondContact O-CB 3.3Å; Y51-A54 PolarHBondContact O-N 3.4Å; Y51-A54 VanDerWaalsContact O-N 3.17Å; L52-A54 VanDerWaalsContact C-N 3.33Å; L52-A54 PolarHBondContact O-N 3.42Å; A54-L56 PolarHBondContact O-N 2.89Å; A54-E57 PolarHBondContact O-N 3.49Å; A54-Y58 WeakPolarHBondContact O-CB 3.48Å; A54-Y58 PolarHBondContact O-N 2.77Å |
| 55 | V | 98.7 | Very high | 98.3 | Very high | 52 Ų | 52 | 62.6 Ų | 62.6 | 32% | 0.315 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 177.3 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | Y51 L52 E57 Y58 L59 | Y51-V55 HydrophobicContact CD1-CG2 4.24Å; Y51-V55 HydrophobicContact CE1-CG2 3.83Å; Y51-V55 HydrophobicContact CE2-CG2 4.48Å; Y51-V55 WeakPolarHBondContact O-CG2 3.44Å; Y51-V55 PolarHBondContact O-N 3.28Å; L52-V55 PolarHBondContact O-N 2.78Å; V55-E57 VanDerWaalsContact C-N 3.34Å; V55-E57 PolarHBondContact O-N 3.48Å; V55-Y58 PolarHBondContact O-N 3.18Å; V55-L59 HydrophobicContact CG1-CD1 4.01Å; V55-L59 WeakPolarHBondContact O-CG 3.3Å; V55-L59 PolarHBondContact O-N 3.03Å |
| 56 | L | 98.7 | Very high | 98.4 | Very high | 72 Ų | 72 | 62.7 Ų | 62.7 | 38% | 0.377 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 177.1 | -69.4 | 172.8 | 0 | 0 | 0 | 111.9 | F26 L52 A53 A54 T60 | F26-L56 HydrophobicContact CD2-CB 3.76Å; F26-L56 VanDerWaalsContact CE2-C 3.5Å; F26-L56 HydrophobicContact CE2-CB 3.83Å; F26-L56 WeakPolarHBondContact CE2-O 3.46Å; L52-L56 HydrophobicContact CD1-CD1 4.26Å; L52-L56 HydrophobicContact CD1-CG 4.2Å; L52-L56 HydrophobicContact CG-CD1 4.09Å; L52-L56 HydrophobicContact CG-CG 4.48Å; L52-L56 WeakPolarHBondContact O-CB 3.36Å; L52-L56 WeakPolarHBondContact O-CG 3.43Å; L52-L56 PolarHBondContact O-N 2.89Å; A53-L56 PolarHBondContact O-N 2.76Å; A54-L56 PolarHBondContact O-N 2.89Å; L56-T60 VanDerWaalsContact O-CB 3.3Å; L56-T60 WeakPolarHBondContact O-CB 3.06Å; L56-T60 PolarHBondContact O-N 2.94Å; L56-T60 PolarHBondContact O-OG1 3.11Å |
| 57 | E | 98.7 | Very high | 98.6 | Very high | 38 Ų | 38 | 58.9 Ų | 58.9 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.5 | -48 | 176.7 | -175.5 | 165.8 | 147.1 | 0 | 0 | 111.3 | L24 Q25 F26 A53 A54 V55 T60 A61 | L24-E57 WeakPolarHBondContact CA-OE2 3.32Å; L24-E57 WeakPolarHBondContact CB-OE2 3.11Å; Q25-E57 PolarHBondContact N-OE1 3.01Å; Q25-E57 PolarHBondContact N-OE2 3.23Å; F26-E57 HydrophobicContact CB-CB 4.09Å; F26-E57 WeakPolarHBondContact CB-OE2 3.3Å; F26-E57 HydrophobicContact CD1-CB 3.78Å; F26-E57 HydrophobicContact CD1-CG 3.78Å; F26-E57 HydrophobicContact CD2-CB 4.01Å; F26-E57 HydrophobicContact CE1-CB 4.22Å; F26-E57 HydrophobicContact CE1-CG 4.17Å; F26-E57 HydrophobicContact CE2-CB 4.42Å; F26-E57 HydrophobicContact CG-CB 3.69Å; F26-E57 HydrophobicContact CG-CG 4.19Å; F26-E57 PolarHBondContact N-OE2 2.83Å; A53-E57 WeakPolarHBondContact O-CB 3.21Å; A53-E57 PolarHBondContact O-N 3.28Å; A54-E57 PolarHBondContact O-N 3.49Å; V55-E57 VanDerWaalsContact C-N 3.34Å; V55-E57 PolarHBondContact O-N 3.48Å; E57-T60 PolarHBondContact O-N 3.17Å; E57-A61 WeakPolarHBondContact O-CB 3.32Å; E57-A61 PolarHBondContact O-N 3.35Å |
| 58 | Y | 98.3 | Very high | 98.6 | Very high | 142 Ų | 142 | 57.9 Ų | 57.9 | 56% | 0.557 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -56 | -54.2 | 176.8 | 171.4 | -100.1 | 0 | 0 | 0 | 111.9 | A54 V55 T60 A61 E62 | A54-Y58 WeakPolarHBondContact O-CB 3.48Å; A54-Y58 PolarHBondContact O-N 2.77Å; V55-Y58 PolarHBondContact O-N 3.18Å; Y58-T60 VanDerWaalsContact C-N 3.29Å; Y58-T60 PolarHBondContact O-N 2.7Å; Y58-A61 PolarHBondContact O-N 2.83Å; Y58-E62 PolarHBondContact O-N 3.46Å |
| 59 | L | 98.4 | Very high | 98.6 | Very high | 54 Ų | 54 | 58.8 Ų | 58.8 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 179.8 | -69.4 | 172.7 | 0 | 0 | 0 | 112.2 | V55 I63 L97 | V55-L59 HydrophobicContact CG1-CD1 4.01Å; V55-L59 WeakPolarHBondContact O-CG 3.3Å; V55-L59 PolarHBondContact O-N 3.03Å; L59-I63 WeakPolarHBondContact O-CD1 3.25Å; L59-I63 VanDerWaalsContact O-CG1 3.29Å; L59-I63 WeakPolarHBondContact O-CG1 3.31Å; L59-I63 PolarHBondContact O-N 2.89Å; L59-L97 HydrophobicContact CD1-CD2 4.4Å; L59-L97 HydrophobicContact CD2-CD2 3.8Å |
| 60 | T | 98.6 | Very high | 98.6 | Very high | 52 Ų | 52 | 59.3 Ų | 59.3 | 32% | 0.319 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.8 | -42.5 | 178.4 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | F26 L56 E57 Y58 I63 L64 | F26-T60 HydrophobicContact CZ-CG2 3.86Å; F26-T60 WeakPolarHBondContact CZ-OG1 3.39Å; L56-T60 VanDerWaalsContact O-CB 3.3Å; L56-T60 WeakPolarHBondContact O-CB 3.06Å; L56-T60 PolarHBondContact O-N 2.94Å; L56-T60 PolarHBondContact O-OG1 3.11Å; E57-T60 PolarHBondContact O-N 3.17Å; Y58-T60 VanDerWaalsContact C-N 3.29Å; Y58-T60 PolarHBondContact O-N 2.7Å; T60-I63 PolarHBondContact O-N 3.17Å; T60-L64 HydrophobicContact CG2-CD1 3.69Å; T60-L64 HydrophobicContact CG2-CG 4.1Å; T60-L64 VanDerWaalsContact O-CB 3.32Å; T60-L64 WeakPolarHBondContact O-CB 3.28Å; T60-L64 WeakPolarHBondContact O-CG 3.37Å; T60-L64 PolarHBondContact O-N 3.13Å |
| 61 | A | 98.4 | Very high | 98.6 | Very high | 56 Ų | 56 | 57.1 Ų | 57.1 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | E57 Y58 I63 L64 E65 | E57-A61 WeakPolarHBondContact O-CB 3.32Å; E57-A61 PolarHBondContact O-N 3.35Å; Y58-A61 PolarHBondContact O-N 2.83Å; A61-I63 PolarHBondContact O-N 3.06Å; A61-L64 PolarHBondContact O-N 3.05Å; A61-E65 WeakPolarHBondContact O-CB 3.3Å; A61-E65 PolarHBondContact O-N 2.79Å |
| 62 | E | 98.4 | Very high | 98.6 | Very high | 70 Ų | 70 | 58 Ų | 58 | 33% | 0.327 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60 | -49 | 179 | -167.8 | 59.4 | -146.5 | 0 | 0 | 112 | Y58 L64 E65 L66 L94 | Y58-E62 PolarHBondContact O-N 3.46Å; E62-L64 VanDerWaalsContact C-N 3.32Å; E62-L64 PolarHBondContact O-N 2.76Å; E62-E65 PolarHBondContact O-N 3.18Å; E62-L66 WeakPolarHBondContact O-CG 3.45Å; E62-L66 PolarHBondContact O-N 3.33Å; E62-L94 HydrophobicContact CG-CD1 4.36Å |
| 63 | I | 98.7 | Very high | 98.6 | Very high | 32 Ų | 32 | 61 Ų | 61 | 16% | 0.164 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 178 | -68 | 167.1 | 0 | 0 | 0 | 111 | L59 T60 A61 A67 L84 I88 L94 L98 | L59-I63 WeakPolarHBondContact O-CD1 3.25Å; L59-I63 VanDerWaalsContact O-CG1 3.29Å; L59-I63 WeakPolarHBondContact O-CG1 3.31Å; L59-I63 PolarHBondContact O-N 2.89Å; T60-I63 PolarHBondContact O-N 3.17Å; A61-I63 PolarHBondContact O-N 3.06Å; I63-A67 WeakPolarHBondContact O-CB 3.49Å; I63-A67 PolarHBondContact O-N 3.43Å; I63-L84 HydrophobicContact CG2-CD2 3.77Å; I63-I88 HydrophobicContact CG1-CG1 4.49Å; I63-I88 HydrophobicContact CG2-CD1 4.21Å; I63-I88 HydrophobicContact CG2-CG1 4.33Å; I63-L94 HydrophobicContact CD1-CD2 4.23Å; I63-L94 HydrophobicContact CG1-CD1 3.85Å; I63-L94 HydrophobicContact CG1-CD2 3.79Å; I63-L94 HydrophobicContact CG1-CG 4.47Å; I63-L98 HydrophobicContact CD1-CD1 4.16Å |
| 64 | L | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 64.6 Ų | 64.6 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.3 | -34.5 | -178.2 | -72.5 | 179.2 | 0 | 0 | 0 | 112.8 | T60 A61 E62 G68 I79 | T60-L64 HydrophobicContact CG2-CD1 3.69Å; T60-L64 HydrophobicContact CG2-CG 4.1Å; T60-L64 VanDerWaalsContact O-CB 3.32Å; T60-L64 WeakPolarHBondContact O-CB 3.28Å; T60-L64 WeakPolarHBondContact O-CG 3.37Å; T60-L64 PolarHBondContact O-N 3.13Å; A61-L64 PolarHBondContact O-N 3.05Å; E62-L64 VanDerWaalsContact C-N 3.32Å; E62-L64 PolarHBondContact O-N 2.76Å; L64-G68 WeakPolarHBondContact O-CA 3.46Å; L64-G68 PolarHBondContact O-N 3Å; L64-I79 HydrophobicContact CD2-CD1 4.06Å |
| 65 | E | 98.5 | Very high | 98.4 | Very high | 114 Ų | 114 | 72.1 Ų | 72.1 | 53% | 0.533 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -56 | 174.7 | 177.2 | 56.3 | -146.1 | 0 | 0 | 110.1 | A61 E62 A67 G68 N69 | A61-E65 WeakPolarHBondContact O-CB 3.3Å; A61-E65 PolarHBondContact O-N 2.79Å; E62-E65 PolarHBondContact O-N 3.18Å; E65-A67 PolarHBondContact O-N 2.88Å; E65-G68 WeakPolarHBondContact O-CA 3.29Å; E65-G68 PolarHBondContact O-N 3.45Å; E65-G68 VanDerWaalsContact O-N 3.12Å; E65-N69 PolarHBondContact O-N 2.99Å; E65-N69 PolarHBondContact O-ND2 3.02Å; E65-N69 PolarHBondContact OE1-ND2 3.28Å |
| 66 | L | 98.7 | Very high | 98.4 | Very high | 47 Ų | 47 | 75.8 Ų | 75.8 | 25% | 0.246 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 179.5 | -64.3 | 176.4 | 0 | 0 | 0 | 112.3 | E62 G68 N69 A70 A87 D91 L94 | E62-L66 WeakPolarHBondContact O-CG 3.45Å; E62-L66 PolarHBondContact O-N 3.33Å; L66-G68 VanDerWaalsContact C-N 3.33Å; L66-N69 PolarHBondContact O-N 3.1Å; L66-A70 PolarHBondContact O-N 2.92Å; L66-A87 HydrophobicContact CB-CB 3.65Å; L66-D91 HydrophobicContact CD1-CB 3.94Å; L66-L94 HydrophobicContact CD1-CD1 3.78Å |
| 67 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -70.1 | -30.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I63 E65 A71 I79 H83 L84 A87 | I63-A67 WeakPolarHBondContact O-CB 3.49Å; I63-A67 PolarHBondContact O-N 3.43Å; E65-A67 PolarHBondContact O-N 2.88Å; A67-A71 WeakPolarHBondContact O-CB 3.29Å; A67-A71 PolarHBondContact O-N 2.91Å; A67-I79 HydrophobicContact CB-CD1 4.17Å; A67-I79 HydrophobicContact CB-CG2 3.97Å; A67-H83 HydrophobicContact CB-CB 4.45Å; A67-L84 HydrophobicContact CB-CD2 3.81Å; A67-A87 HydrophobicContact CB-CB 3.99Å |
| 68 | G | 98.8 | Very high | 98.4 | Very high | 27 Ų | 27 | 87.2 Ų | 87.2 | 28% | 0.278 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L64 E65 L66 A71 R72 | L64-G68 WeakPolarHBondContact O-CA 3.46Å; L64-G68 PolarHBondContact O-N 3Å; E65-G68 WeakPolarHBondContact O-CA 3.29Å; E65-G68 PolarHBondContact O-N 3.45Å; E65-G68 VanDerWaalsContact O-N 3.12Å; L66-G68 VanDerWaalsContact C-N 3.33Å; G68-A71 WeakPolarHBondContact O-CB 3.31Å; G68-A71 PolarHBondContact O-N 3.29Å; G68-R72 PolarHBondContact O-N 3.44Å |
| 69 | N | 98.6 | Very high | 98.4 | Very high | 66 Ų | 66 | 83.5 Ų | 83.5 | 35% | 0.353 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 173.9 | -68.4 | -32.3 | 0 | 0 | 0 | 111.2 | E65 L66 A71 R72 D73 | E65-N69 PolarHBondContact O-N 2.99Å; E65-N69 PolarHBondContact O-ND2 3.02Å; E65-N69 PolarHBondContact OE1-ND2 3.28Å; L66-N69 PolarHBondContact O-N 3.1Å; N69-A71 VanDerWaalsContact C-N 3.28Å; N69-A71 PolarHBondContact O-N 3.49Å; N69-R72 WeakPolarHBondContact O-CB 3.38Å; N69-R72 PolarHBondContact O-N 3.49Å; N69-R72 VanDerWaalsContact O-N 3.1Å; N69-D73 PolarHBondContact O-N 3.04Å |
| 70 | A | 98.4 | Very high | 98.4 | Very high | 11 Ų | 11 | 84.7 Ų | 84.7 | 9% | 0.091 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.6 | -34.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | L66 N74 H83 L86 | L66-A70 PolarHBondContact O-N 2.92Å; A70-N74 PolarHBondContact O-N 3.02Å; A70-N74 PolarHBondContact O-ND2 2.7Å; A70-H83 HydrophobicContact CB-CB 4.23Å; A70-L86 HydrophobicContact CB-CB 4.24Å |
| 71 | A | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 84.6 Ų | 84.6 | 3% | 0.033 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A67 G68 N69 N74 K75 K76 I79 H83 | A67-A71 WeakPolarHBondContact O-CB 3.29Å; A67-A71 PolarHBondContact O-N 2.91Å; G68-A71 WeakPolarHBondContact O-CB 3.31Å; G68-A71 PolarHBondContact O-N 3.29Å; N69-A71 VanDerWaalsContact C-N 3.28Å; N69-A71 PolarHBondContact O-N 3.49Å; A71-N74 CarbonylContact O-C 3.6Å; A71-N74 PolarHBondContact O-N 2.84Å; A71-K75 PolarHBondContact O-N 3.45Å; A71-K76 CarbonylContact C-O 3.35Å; A71-K76 WeakPolarHBondContact O-CA 3.37Å; A71-K76 PolarHBondContact O-N 2.96Å; A71-K76 VanDerWaalsContact O-O 3.08Å; A71-I79 HydrophobicContact CB-CG1 4.24Å; A71-H83 VanDerWaalsContact CA-CE1 3.46Å; A71-H83 WeakPolarHBondContact CA-CE1 3.3Å; A71-H83 WeakPolarHBondContact CA-ND1 3.03Å; A71-H83 HydrophobicContact CB-CB 4.46Å; A71-H83 WeakPolarHBondContact CB-ND1 3.07Å |
| 72 | R | 98.5 | Very high | 98.4 | Very high | 193 Ų | 193 | 85.1 Ų | 85.1 | 73% | 0.728 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63 | -42.8 | 178.2 | -175.5 | -179.2 | 177.8 | -176.2 | -1.5 | 111.7 | G68 N69 N74 K75 | G68-R72 PolarHBondContact O-N 3.44Å; N69-R72 WeakPolarHBondContact O-CB 3.38Å; N69-R72 PolarHBondContact O-N 3.49Å; N69-R72 VanDerWaalsContact O-N 3.1Å; R72-N74 VanDerWaalsContact C-N 3.26Å; R72-N74 PolarHBondContact O-N 3.3Å; R72-K75 WeakPolarHBondContact O-CA 3.39Å; R72-K75 PolarHBondContact O-N 3.21Å |
| 73 | D | 97.5 | Very high | 98.4 | Very high | 127 Ų | 127 | 81.9 Ų | 81.9 | 68% | 0.679 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.2 | -36.8 | 177.1 | -67.2 | -18.2 | 0 | 0 | 0 | 111.8 | N69 K75 | N69-D73 PolarHBondContact O-N 3.04Å; D73-K75 PolarHBondContact O-N 3.45Å |
| 74 | N | 97 | Very high | 98.4 | Very high | 76 Ų | 76 | 82.8 Ų | 82.8 | 41% | 0.406 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 10.8 | 172.9 | -68.3 | -31.9 | 0 | 0 | 0 | 113.8 | A70 A71 R72 K76 H83 | A70-N74 PolarHBondContact O-N 3.02Å; A70-N74 PolarHBondContact O-ND2 2.7Å; A71-N74 CarbonylContact O-C 3.6Å; A71-N74 PolarHBondContact O-N 2.84Å; R72-N74 VanDerWaalsContact C-N 3.26Å; R72-N74 PolarHBondContact O-N 3.3Å; N74-K76 HydrophobicContact CB-CG 4.33Å; N74-K76 WeakPolarHBondContact O-CG 3.46Å; N74-K76 PolarHBondContact O-N 2.99Å; N74-H83 PolarHBondContact ND2-CD2 3.06Å; N74-H83 VanDerWaalsContact ND2-CD2 3.27Å; N74-H83 PolarHBondContact ND2-NE2 3.22Å |
| 75 | K | 98.2 | Very high | 98.4 | Very high | 194 Ų | 194 | 79.4 Ų | 79.4 | 84% | 0.843 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 37.6 | -178.9 | -51.3 | 179.3 | -177.2 | 178.3 | 0 | 112.4 | A71 R72 D73 | A71-K75 PolarHBondContact O-N 3.45Å; R72-K75 WeakPolarHBondContact O-CA 3.39Å; R72-K75 PolarHBondContact O-N 3.21Å; D73-K75 PolarHBondContact O-N 3.45Å |
| 76 | K | 98.4 | Very high | 98.4 | Very high | 130 Ų | 130 | 75.4 Ų | 75.4 | 57% | 0.565 | 37% | 0.368 | S | S | * | . | trans | -116.1 | 147 | 176.6 | -57.6 | -57.3 | 178.9 | -177.5 | 0 | 110.5 | A71 N74 | A71-K76 CarbonylContact C-O 3.35Å; A71-K76 WeakPolarHBondContact O-CA 3.37Å; A71-K76 PolarHBondContact O-N 2.96Å; A71-K76 VanDerWaalsContact O-O 3.08Å; N74-K76 HydrophobicContact CB-CG 4.33Å; N74-K76 WeakPolarHBondContact O-CG 3.46Å; N74-K76 PolarHBondContact O-N 2.99Å | ||
| 77 | T | 97.3 | Very high | 98.3 | Very high | 158 Ų | 158 | 73.5 Ų | 73.5 | 97% | 0.969 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -95.9 | -6 | 174 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 78 | R | 98.7 | Very high | 98.3 | Very high | 191 Ų | 191 | 74 Ų | 74 | 72% | 0.721 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -117 | 128.6 | -178.2 | -177.8 | 176 | -65.6 | 143.5 | 1.8 | 110.4 | I80 H83 | R78-I80 HydrophobicContact CG-CG2 4.38Å; R78-I80 PolarHBondContact O-N 3.07Å; R78-H83 PolarHBondContact O-CE1 2.82Å; R78-H83 PolarHBondContact O-ND1 3.47Å |
| 79 | I | 98.7 | Very high | 98.3 | Very high | 65 Ų | 65 | 74.5 Ų | 74.5 | 33% | 0.333 | 36% | 0.356 | S | S | . | . | trans | -69 | 127.2 | 168.2 | -62.9 | 174 | 0 | 0 | 0 | 108.5 | L64 A67 A71 H83 L84 | L64-I79 HydrophobicContact CD2-CD1 4.06Å; A67-I79 HydrophobicContact CB-CD1 4.17Å; A67-I79 HydrophobicContact CB-CG2 3.97Å; A71-I79 HydrophobicContact CB-CG1 4.24Å; I79-H83 HydrophobicContact CG2-CB 4.25Å; I79-L84 HydrophobicContact CG2-CD2 4.12Å; I79-L84 HydrophobicContact CG2-CG 4.12Å | ||
| 80 | I | 98.4 | Very high | 98.2 | Very high | 78 Ų | 78 | 76.8 Ų | 76.8 | 40% | 0.4 | 37% | 0.368 | S | S | . | . | trans | -122.5 | 167.4 | 174.7 | 64.5 | 166 | 0 | 0 | 0 | 108.9 | R78 R82 H83 L84 | R78-I80 HydrophobicContact CG-CG2 4.38Å; R78-I80 PolarHBondContact O-N 3.07Å; I80-R82 HydrophobicContact CD1-CB 4Å; I80-R82 HydrophobicContact CG1-CB 4.1Å; I80-R82 PolarHBondContact O-N 3.26Å; I80-H83 PolarHBondContact N-ND1 2.98Å; I80-H83 WeakPolarHBondContact O-CB 3.32Å; I80-H83 PolarHBondContact O-N 2.85Å; I80-L84 PolarHBondContact O-N 3.05Å | ||
| 81 | P | 98.7 | Very high | 98.2 | Very high | 51 Ų | 51 | 78.4 Ų | 78.4 | 33% | 0.331 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -53.7 | -32.5 | -178.4 | -30.2 | 37.7 | 0 | 0 | 0 | 114.7 | H83 L84 Q85 I103 A104 Q105 | P81-H83 VanDerWaalsContact C-N 3.32Å; P81-H83 PolarHBondContact O-N 3.43Å; P81-L84 PolarHBondContact O-N 3.33Å; P81-Q85 PolarHBondContact O-N 3.01Å; P81-I103 HydrophobicContact CB-CG2 4.39Å; P81-A104 VanDerWaalsContact CB-O 3.28Å; P81-A104 WeakPolarHBondContact CB-O 3.41Å; P81-Q105 HydrophobicContact CB-CB 4.01Å; P81-Q105 HydrophobicContact CG-CB 4.16Å |
| 82 | R | 98.4 | Very high | 98.1 | Very high | 66 Ų | 66 | 86.2 Ų | 86.2 | 25% | 0.249 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.1 | -41.6 | 172.4 | 179.6 | 55.7 | 178.4 | 177.3 | -2.3 | 112.9 | I80 Q85 L86 G106 V108 | I80-R82 HydrophobicContact CD1-CB 4Å; I80-R82 HydrophobicContact CG1-CB 4.1Å; I80-R82 PolarHBondContact O-N 3.26Å; R82-Q85 PolarHBondContact O-N 3.01Å; R82-L86 HydrophobicContact CG-CD1 4.29Å; R82-L86 WeakPolarHBondContact O-CG 3.32Å; R82-L86 PolarHBondContact O-N 3.27Å; R82-G106 WeakPolarHBondContact CD-O 3.41Å; R82-G106 PolarHBondContact NH1-O 3.38Å; R82-V108 PolarHBondContact NH1-O 3.13Å; R82-V108 PolarHBondContact NH2-O 2.98Å |
| 83 | H | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 84 Ų | 84 | 1% | 0.014 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.7 | -37.6 | 179.9 | -55.1 | 151.7 | 0 | 0 | 0 | 111.3 | A67 A70 A71 N74 R78 I79 I80 P81 L86 A87 | A67-H83 HydrophobicContact CB-CB 4.45Å; A70-H83 HydrophobicContact CB-CB 4.23Å; A71-H83 VanDerWaalsContact CA-CE1 3.46Å; A71-H83 WeakPolarHBondContact CA-CE1 3.3Å; A71-H83 WeakPolarHBondContact CA-ND1 3.03Å; A71-H83 HydrophobicContact CB-CB 4.46Å; A71-H83 WeakPolarHBondContact CB-ND1 3.07Å; N74-H83 PolarHBondContact ND2-CD2 3.06Å; N74-H83 VanDerWaalsContact ND2-CD2 3.27Å; N74-H83 PolarHBondContact ND2-NE2 3.22Å; R78-H83 PolarHBondContact O-CE1 2.82Å; R78-H83 PolarHBondContact O-ND1 3.47Å; I79-H83 HydrophobicContact CG2-CB 4.25Å; I80-H83 PolarHBondContact N-ND1 2.98Å; I80-H83 WeakPolarHBondContact O-CB 3.32Å; I80-H83 PolarHBondContact O-N 2.85Å; P81-H83 VanDerWaalsContact C-N 3.32Å; P81-H83 PolarHBondContact O-N 3.43Å; H83-L86 PolarHBondContact O-N 2.77Å; H83-A87 VanDerWaalsContact O-CB 3.32Å; H83-A87 WeakPolarHBondContact O-CB 3.38Å; H83-A87 PolarHBondContact O-N 3.04Å |
| 84 | L | 98.5 | Very high | 98.2 | Very high | 51 Ų | 51 | 78.2 Ų | 78.2 | 27% | 0.267 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 172.4 | -64.9 | 173.4 | 0 | 0 | 0 | 111.5 | I63 A67 I79 I80 P81 A87 I88 I103 | I63-L84 HydrophobicContact CG2-CD2 3.77Å; A67-L84 HydrophobicContact CB-CD2 3.81Å; I79-L84 HydrophobicContact CG2-CD2 4.12Å; I79-L84 HydrophobicContact CG2-CG 4.12Å; I80-L84 PolarHBondContact O-N 3.05Å; P81-L84 PolarHBondContact O-N 3.33Å; L84-A87 PolarHBondContact O-N 3.3Å; L84-I88 HydrophobicContact CB-CD1 4.41Å; L84-I88 VanDerWaalsContact O-CB 3.3Å; L84-I88 WeakPolarHBondContact O-CB 3.36Å; L84-I88 WeakPolarHBondContact O-CD1 3.41Å; L84-I88 VanDerWaalsContact O-CG1 3.31Å; L84-I88 WeakPolarHBondContact O-CG1 3.4Å; L84-I88 PolarHBondContact O-N 3.45Å; L84-I103 HydrophobicContact CB-CG2 4.47Å |
| 85 | Q | 98.5 | Very high | 98.2 | Very high | 15 Ų | 15 | 77.6 Ų | 77.6 | 7% | 0.07 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 176.5 | -178.9 | 76 | 20.6 | 0 | 0 | 111.7 | P81 R82 R89 I103 G106 G107 | P81-Q85 PolarHBondContact O-N 3.01Å; R82-Q85 PolarHBondContact O-N 3.01Å; Q85-R89 HydrophobicContact CG-CG 4.29Å; Q85-R89 WeakPolarHBondContact O-CB 3.43Å; Q85-R89 VanDerWaalsContact O-CG 3.3Å; Q85-R89 WeakPolarHBondContact O-CG 3.46Å; Q85-R89 PolarHBondContact O-N 3.24Å; Q85-I103 HydrophobicContact CB-CD1 4.49Å; Q85-G106 WeakPolarHBondContact CB-O 3.4Å; Q85-G106 WeakPolarHBondContact CG-O 3.42Å; Q85-G107 WeakPolarHBondContact CG-O 3.46Å; Q85-G107 PolarHBondContact NE2-O 3.37Å |
| 86 | L | 98.1 | Very high | 98.2 | Very high | 30 Ų | 30 | 77 Ų | 77 | 16% | 0.157 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 178.7 | -69.9 | 176.9 | 0 | 0 | 0 | 111.4 | A70 R82 H83 N90 L109 | A70-L86 HydrophobicContact CB-CB 4.24Å; R82-L86 HydrophobicContact CG-CD1 4.29Å; R82-L86 WeakPolarHBondContact O-CG 3.32Å; R82-L86 PolarHBondContact O-N 3.27Å; H83-L86 PolarHBondContact O-N 2.77Å; L86-N90 VanDerWaalsContact O-CB 3.3Å; L86-N90 WeakPolarHBondContact O-CB 3.35Å; L86-N90 PolarHBondContact O-N 3.36Å; L86-N90 PolarHBondContact O-ND2 3.05Å; L86-L109 HydrophobicContact CD2-CD2 3.88Å |
| 87 | A | 98.3 | Very high | 98.2 | Very high | 8 Ų | 8 | 75.8 Ų | 75.8 | 7% | 0.066 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.4 | -55.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L66 A67 H83 L84 R89 D91 | L66-A87 HydrophobicContact CB-CB 3.65Å; A67-A87 HydrophobicContact CB-CB 3.99Å; H83-A87 VanDerWaalsContact O-CB 3.32Å; H83-A87 WeakPolarHBondContact O-CB 3.38Å; H83-A87 PolarHBondContact O-N 3.04Å; L84-A87 PolarHBondContact O-N 3.3Å; A87-R89 PolarHBondContact O-N 3.2Å; A87-D91 PolarHBondContact O-N 3.4Å |
| 88 | I | 98.4 | Very high | 98.2 | Very high | 9 Ų | 9 | 70 Ų | 70 | 5% | 0.046 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.3 | -36.1 | -172.8 | -70.1 | 163.2 | 0 | 0 | 0 | 112.3 | I63 L84 L94 N95 L98 I103 | I63-I88 HydrophobicContact CG1-CG1 4.49Å; I63-I88 HydrophobicContact CG2-CD1 4.21Å; I63-I88 HydrophobicContact CG2-CG1 4.33Å; L84-I88 HydrophobicContact CB-CD1 4.41Å; L84-I88 VanDerWaalsContact O-CB 3.3Å; L84-I88 WeakPolarHBondContact O-CB 3.36Å; L84-I88 WeakPolarHBondContact O-CD1 3.41Å; L84-I88 VanDerWaalsContact O-CG1 3.31Å; L84-I88 WeakPolarHBondContact O-CG1 3.4Å; L84-I88 PolarHBondContact O-N 3.45Å; I88-L94 HydrophobicContact CG2-CB 4.42Å; I88-N95 VanDerWaalsContact O-CA 3.29Å; I88-N95 WeakPolarHBondContact O-CA 3.46Å; I88-N95 VanDerWaalsContact O-CB 3.3Å; I88-N95 WeakPolarHBondContact O-CB 3.36Å; I88-N95 PolarHBondContact O-N 2.88Å; I88-N95 VanDerWaalsContact O-N 3.11Å; I88-L98 HydrophobicContact CD1-CD1 3.7Å; I88-L98 HydrophobicContact CG1-CD1 3.97Å; I88-L98 HydrophobicContact CG2-CB 3.92Å; I88-L98 HydrophobicContact CG2-CD1 3.75Å; I88-L98 HydrophobicContact CG2-CG 4.4Å; I88-I103 HydrophobicContact CB-CD1 4.28Å; I88-I103 HydrophobicContact CD1-CD1 3.6Å; I88-I103 HydrophobicContact CG2-CD1 4.43Å |
| 89 | R | 98.1 | Very high | 98.1 | Very high | 39 Ų | 39 | 63.2 Ų | 63.2 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -85.3 | -23.2 | -176.7 | -59.8 | -51.4 | 172.4 | -152.1 | -3.6 | 114.5 | Q85 A87 N95 L98 V101 L109 | Q85-R89 HydrophobicContact CG-CG 4.29Å; Q85-R89 WeakPolarHBondContact O-CB 3.43Å; Q85-R89 VanDerWaalsContact O-CG 3.3Å; Q85-R89 WeakPolarHBondContact O-CG 3.46Å; Q85-R89 PolarHBondContact O-N 3.24Å; A87-R89 PolarHBondContact O-N 3.2Å; R89-N95 WeakPolarHBondContact CD-OD1 3.45Å; R89-N95 PolarHBondContact NH1-OD1 2.94Å; R89-L98 PolarHBondContact NH1-O 3.47Å; R89-V101 PolarHBondContact NH2-O 2.89Å; R89-L109 HydrophobicContact CB-CD1 3.6Å; R89-L109 HydrophobicContact CB-CD2 4.02Å; R89-L109 HydrophobicContact CB-CG 3.65Å; R89-L109 HydrophobicContact CG-CG 4.43Å |
| 90 | N | 97 | Very high | 98 | Very high | 114 Ų | 114 | 70.4 Ų | 70.4 | 61% | 0.61 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -85 | -20.6 | 175.4 | -72.7 | -52.3 | 0 | 0 | 0 | 112.4 | L86 | L86-N90 VanDerWaalsContact O-CB 3.3Å; L86-N90 WeakPolarHBondContact O-CB 3.35Å; L86-N90 PolarHBondContact O-N 3.36Å; L86-N90 PolarHBondContact O-ND2 3.05Å |
| 91 | D | 98 | Very high | 97.9 | Very high | 45 Ų | 45 | 70.1 Ų | 70.1 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -86.8 | 128.3 | 172.3 | -178.8 | -96.1 | 0 | 0 | 0 | 111.5 | L66 A87 E93 L94 N95 | L66-D91 HydrophobicContact CD1-CB 3.94Å; A87-D91 PolarHBondContact O-N 3.4Å; D91-E93 PolarHBondContact OD1-N 2.98Å; D91-L94 HydrophobicContact CB-CB 4.1Å; D91-L94 HydrophobicContact CB-CD1 4.1Å; D91-L94 HydrophobicContact CB-CG 4.33Å; D91-L94 VanDerWaalsContact OD1-CB 3.28Å; D91-L94 WeakPolarHBondContact OD1-CB 3.4Å; D91-L94 VanDerWaalsContact OD1-CG 3.25Å; D91-L94 WeakPolarHBondContact OD1-CG 3.48Å; D91-L94 PolarHBondContact OD1-N 3.49Å; D91-N95 WeakPolarHBondContact O-CB 3.41Å; D91-N95 PolarHBondContact O-N 3.2Å |
| 92 | E | 97.9 | Very high | 97.8 | Very high | 168 Ų | 168 | 74 Ų | 74 | 79% | 0.785 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.4 | -45.7 | -173.9 | -174.7 | -178.5 | 166.8 | 0 | 0 | 112.3 | K96 | E92-K96 WeakPolarHBondContact O-CB 3.48Å; E92-K96 PolarHBondContact O-N 3.17Å |
| 93 | E | 98.1 | Very high | 97.8 | Very high | 145 Ų | 145 | 72.3 Ų | 72.3 | 68% | 0.678 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -71.3 | -46.4 | -174.5 | -61.7 | -167 | 152.6 | 0 | 0 | 111.2 | D91 K96 L97 | D91-E93 PolarHBondContact OD1-N 2.98Å; E93-K96 PolarHBondContact O-N 2.97Å; E93-L97 VanDerWaalsContact O-CB 3.32Å; E93-L97 WeakPolarHBondContact O-CB 3.16Å; E93-L97 PolarHBondContact O-N 3.11Å |
| 94 | L | 98.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 75.7 Ų | 75.7 | 3% | 0.031 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 175.9 | -67.6 | 177.1 | 0 | 0 | 0 | 111.3 | E62 I63 L66 I88 D91 K96 L97 L98 | E62-L94 HydrophobicContact CG-CD1 4.36Å; I63-L94 HydrophobicContact CD1-CD2 4.23Å; I63-L94 HydrophobicContact CG1-CD1 3.85Å; I63-L94 HydrophobicContact CG1-CD2 3.79Å; I63-L94 HydrophobicContact CG1-CG 4.47Å; L66-L94 HydrophobicContact CD1-CD1 3.78Å; I88-L94 HydrophobicContact CG2-CB 4.42Å; D91-L94 HydrophobicContact CB-CB 4.1Å; D91-L94 HydrophobicContact CB-CD1 4.1Å; D91-L94 HydrophobicContact CB-CG 4.33Å; D91-L94 VanDerWaalsContact OD1-CB 3.28Å; D91-L94 WeakPolarHBondContact OD1-CB 3.4Å; D91-L94 VanDerWaalsContact OD1-CG 3.25Å; D91-L94 WeakPolarHBondContact OD1-CG 3.48Å; D91-L94 PolarHBondContact OD1-N 3.49Å; L94-K96 VanDerWaalsContact C-N 3.31Å; L94-K96 PolarHBondContact O-N 3.36Å; L94-L97 PolarHBondContact O-N 3.23Å; L94-L98 VanDerWaalsContact O-CB 3.31Å; L94-L98 WeakPolarHBondContact O-CB 3.22Å; L94-L98 PolarHBondContact O-N 2.98Å |
| 95 | N | 97.9 | Very high | 97.7 | Very high | 64 Ų | 64 | 81.5 Ų | 81.5 | 34% | 0.342 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 176.5 | -173.5 | 44.5 | 0 | 0 | 0 | 111.1 | I88 R89 D91 L98 G99 | I88-N95 VanDerWaalsContact O-CA 3.29Å; I88-N95 WeakPolarHBondContact O-CA 3.46Å; I88-N95 VanDerWaalsContact O-CB 3.3Å; I88-N95 WeakPolarHBondContact O-CB 3.36Å; I88-N95 PolarHBondContact O-N 2.88Å; I88-N95 VanDerWaalsContact O-N 3.11Å; R89-N95 WeakPolarHBondContact CD-OD1 3.45Å; R89-N95 PolarHBondContact NH1-OD1 2.94Å; D91-N95 WeakPolarHBondContact O-CB 3.41Å; D91-N95 PolarHBondContact O-N 3.2Å; N95-L98 CarbonylContact O-C 3.52Å; N95-G99 WeakPolarHBondContact O-CA 3.44Å; N95-G99 PolarHBondContact O-N 3.48Å |
| 96 | K | 98.1 | Very high | 97.7 | Very high | 181 Ų | 181 | 80.9 Ų | 80.9 | 79% | 0.787 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.4 | -47.4 | 174.2 | -176.3 | 177.5 | -179.1 | 177.9 | 0 | 111.5 | E92 E93 L94 L98 | E92-K96 WeakPolarHBondContact O-CB 3.48Å; E92-K96 PolarHBondContact O-N 3.17Å; E93-K96 PolarHBondContact O-N 2.97Å; L94-K96 VanDerWaalsContact C-N 3.31Å; L94-K96 PolarHBondContact O-N 3.36Å; K96-L98 VanDerWaalsContact C-N 3.32Å; K96-L98 PolarHBondContact O-N 3.37Å |
| 97 | L | 98 | Very high | 97.6 | Very high | 104 Ų | 104 | 81.9 Ų | 81.9 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 179.1 | 179.9 | 62.5 | 0 | 0 | 0 | 112 | L59 E93 L94 | L59-L97 HydrophobicContact CD1-CD2 4.4Å; L59-L97 HydrophobicContact CD2-CD2 3.8Å; E93-L97 VanDerWaalsContact O-CB 3.32Å; E93-L97 WeakPolarHBondContact O-CB 3.16Å; E93-L97 PolarHBondContact O-N 3.11Å; L94-L97 PolarHBondContact O-N 3.23Å |
| 98 | L | 97.6 | Very high | 97.5 | Very high | 38 Ų | 38 | 86.8 Ų | 86.8 | 20% | 0.199 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 22.4 | -174.3 | -57.3 | 177.2 | 0 | 0 | 0 | 112.8 | I63 I88 R89 L94 N95 K96 K100 V101 | I63-L98 HydrophobicContact CD1-CD1 4.16Å; I88-L98 HydrophobicContact CD1-CD1 3.7Å; I88-L98 HydrophobicContact CG1-CD1 3.97Å; I88-L98 HydrophobicContact CG2-CB 3.92Å; I88-L98 HydrophobicContact CG2-CD1 3.75Å; I88-L98 HydrophobicContact CG2-CG 4.4Å; R89-L98 PolarHBondContact NH1-O 3.47Å; L94-L98 VanDerWaalsContact O-CB 3.31Å; L94-L98 WeakPolarHBondContact O-CB 3.22Å; L94-L98 PolarHBondContact O-N 2.98Å; N95-L98 CarbonylContact O-C 3.52Å; K96-L98 VanDerWaalsContact C-N 3.32Å; K96-L98 PolarHBondContact O-N 3.37Å; L98-K100 PolarHBondContact O-N 3.46Å; L98-V101 HydrophobicContact CB-CB 4.3Å; L98-V101 HydrophobicContact CB-CG2 4.34Å; L98-V101 HydrophobicContact CD2-CG2 4.05Å; L98-V101 PolarHBondContact O-N 3.14Å |
| 99 | G | 95.7 | Very high | 97.4 | Very high | 48 Ų | 48 | 89 Ų | 89 | 50% | 0.495 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N95 | N95-G99 WeakPolarHBondContact O-CA 3.44Å; N95-G99 PolarHBondContact O-N 3.48Å |
| 100 | K | 96.7 | Very high | 97.2 | Very high | 215 Ų | 215 | 92.5 Ų | 92.5 | 94% | 0.935 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 6.3 | 178.2 | -62.4 | -178.5 | -178.9 | 179 | 0 | 113.8 | L98 | L98-K100 PolarHBondContact O-N 3.46Š|
| 101 | V | 96.9 | Very high | 97 | Very high | 73 Ų | 73 | 93 Ų | 93 | 44% | 0.442 | 51% | 0.513 | S | S | . | . | trans | -94.3 | 127.4 | -178.4 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | R89 L98 | R89-V101 PolarHBondContact NH2-O 2.89Å; L98-V101 HydrophobicContact CB-CB 4.3Å; L98-V101 HydrophobicContact CB-CG2 4.34Å; L98-V101 HydrophobicContact CD2-CG2 4.05Å; L98-V101 PolarHBondContact O-N 3.14Å | ||
| 102 | T | 97.3 | Very high | 96.9 | Very high | 132 Ų | 132 | 96.4 Ų | 96.4 | 81% | 0.81 | 53% | 0.53 | S | S | * | . | trans | -86.1 | 125.3 | 172.4 | -63.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 103 | I | 97.6 | Very high | 96.8 | Very high | 30 Ų | 30 | 93.9 Ų | 93.9 | 15% | 0.154 | 52% | 0.519 | C | S | . | . | trans | -96.3 | 97.5 | 172.8 | -56.1 | 172.8 | 0 | 0 | 0 | 107.5 | P81 L84 Q85 I88 Q105 G106 | P81-I103 HydrophobicContact CB-CG2 4.39Å; L84-I103 HydrophobicContact CB-CG2 4.47Å; Q85-I103 HydrophobicContact CB-CD1 4.49Å; I88-I103 HydrophobicContact CB-CD1 4.28Å; I88-I103 HydrophobicContact CD1-CD1 3.6Å; I88-I103 HydrophobicContact CG2-CD1 4.43Å; I103-Q105 PolarHBondContact O-N 3.17Å; I103-G106 PolarHBondContact O-N 3.01Å | ||
| 104 | A | 98.1 | Very high | 96.5 | Very high | 75 Ų | 75 | 90.8 Ų | 90.8 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 136.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | P81 G106 | P81-A104 VanDerWaalsContact CB-O 3.28Å; P81-A104 WeakPolarHBondContact CB-O 3.41Å; A104-G106 PolarHBondContact O-N 3.25Å; A104-G106 VanDerWaalsContact O-N 3.15Å |
| 105 | Q | 98 | Very high | 96.4 | Very high | 172 Ų | 172 | 96.7 Ų | 96.7 | 80% | 0.804 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.4 | 10.5 | -176.3 | -54.1 | -63.4 | -28.1 | 0 | 0 | 115.3 | P81 I103 | P81-Q105 HydrophobicContact CB-CB 4.01Å; P81-Q105 HydrophobicContact CG-CB 4.16Å; I103-Q105 PolarHBondContact O-N 3.17Å |
| 106 | G | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 99.9 Ų | 99.9 | 2% | 0.021 | 57% | 0.57 | C | S | . | * | trans | -79.3 | -24.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R82 Q85 I103 A104 | R82-G106 WeakPolarHBondContact CD-O 3.41Å; R82-G106 PolarHBondContact NH1-O 3.38Å; Q85-G106 WeakPolarHBondContact CB-O 3.4Å; Q85-G106 WeakPolarHBondContact CG-O 3.42Å; I103-G106 PolarHBondContact O-N 3.01Å; A104-G106 PolarHBondContact O-N 3.25Å; A104-G106 VanDerWaalsContact O-N 3.15Å | ||
| 107 | G | 96.4 | Very high | 96.1 | Very high | 52 Ų | 52 | 95.9 Ų | 95.9 | 54% | 0.536 | 56% | 0.557 | S | S | . | * | trans | 66 | -154.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q85 | Q85-G107 WeakPolarHBondContact CG-O 3.46Å; Q85-G107 PolarHBondContact NE2-O 3.37Å | ||
| 108 | V | 96 | Very high | 95.8 | Very high | 111 Ų | 111 | 96.6 Ų | 96.6 | 67% | 0.673 | 57% | 0.568 | S | S | * | * | trans | -127.3 | 161.2 | 179 | -62.8 | 0 | 0 | 0 | 0 | 111 | R82 | R82-V108 PolarHBondContact NH1-O 3.13Å; R82-V108 PolarHBondContact NH2-O 2.98Å | ||
| 109 | L | 95.2 | Very high | 95.3 | Very high | 56 Ų | 56 | 104.2 Ų | 104.2 | 29% | 0.293 | 60% | 0.599 | S | S | . | * | trans | -59 | 132.9 | 167.8 | -71.4 | -176.1 | 0 | 0 | 0 | 108.4 | L86 R89 N111 | L86-L109 HydrophobicContact CD2-CD2 3.88Å; R89-L109 HydrophobicContact CB-CD1 3.6Å; R89-L109 HydrophobicContact CB-CD2 4.02Å; R89-L109 HydrophobicContact CB-CG 3.65Å; R89-L109 HydrophobicContact CG-CG 4.43Å; L109-N111 PolarHBondContact O-N 3.26Å; L109-N111 VanDerWaalsContact O-N 3.11Å | ||
| 110 | P | 93.9 | Very high | 94.6 | Very high | 111 Ų | 111 | 112 Ų | 112 | 72% | 0.721 | 62% | 0.619 | S | S | * | * | trans | -58.7 | 119.7 | 176.2 | -21.2 | 33.9 | 0 | 0 | 0 | 109.4 | ||||
| 111 | N | 94.7 | Very high | 93.6 | Very high | 124 Ų | 124 | 108.1 Ų | 108.1 | 66% | 0.663 | 61% | 0.614 | S | S | * | * | trans | -149.3 | 129.3 | 177.4 | -179.2 | 45.7 | 0 | 0 | 0 | 108.7 | L109 Q113 | L109-N111 PolarHBondContact O-N 3.26Å; L109-N111 VanDerWaalsContact O-N 3.11Å; N111-Q113 PolarHBondContact ND2-NE2 3.1Å | ||
| 112 | I | 95.6 | Very high | 92.5 | Very high | 118 Ų | 118 | 112.7 Ų | 112.7 | 61% | 0.605 | 63% | 0.63 | S | S | * | * | trans | -115.4 | 119.6 | 176.4 | -59.4 | 175.1 | 0 | 0 | 0 | 107.4 | L116 L117 | I112-L116 HydrophobicContact CG2-CB 4.23Å; I112-L117 HydrophobicContact CG2-CD2 3.82Å; I112-L117 HydrophobicContact CG2-CG 4.29Å | ||
| 113 | Q | 94.2 | Very high | 91 | Very high | 115 Ų | 115 | 111 Ų | 111 | 54% | 0.537 | 62% | 0.624 | S | S | . | * | trans | -65.7 | 135.3 | 174.6 | -63.5 | -64.1 | -17.7 | 0 | 0 | 109.7 | N111 V115 L116 | N111-Q113 PolarHBondContact ND2-NE2 3.1Å; Q113-V115 HydrophobicContact CB-CG1 4.08Å; Q113-V115 PolarHBondContact O-N 2.78Å; Q113-L116 HydrophobicContact CB-CD1 4.26Å; Q113-L116 HydrophobicContact CB-CG 4.29Å; Q113-L116 WeakPolarHBondContact O-CB 3.18Å; Q113-L116 PolarHBondContact O-N 3.11Å | ||
| 114 | A | 93.8 | Very high | 89.3 | Confident | 80 Ų | 80 | 118 Ų | 118 | 66% | 0.661 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -56.1 | -30.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | L116 L117 | A114-L116 PolarHBondContact O-N 2.91Å; A114-L117 WeakPolarHBondContact O-CB 3.46Å; A114-L117 PolarHBondContact O-N 3.46Å; A114-L117 VanDerWaalsContact O-N 3.14Å |
| 115 | V | 95.2 | Very high | 87.5 | Confident | 130 Ų | 130 | 122.6 Ų | 122.6 | 79% | 0.788 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -63 | -24.5 | 175.9 | 69.2 | 0 | 0 | 0 | 0 | 113.7 | Q113 L117 | Q113-V115 HydrophobicContact CB-CG1 4.08Å; Q113-V115 PolarHBondContact O-N 2.78Å; V115-L117 VanDerWaalsContact C-N 3.34Å |
| 116 | L | 94.9 | Very high | 85.5 | Confident | 130 Ų | 130 | 123.5 Ų | 123.5 | 68% | 0.681 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -85.8 | -8.9 | 178.8 | -58.7 | 177 | 0 | 0 | 0 | 112.5 | I112 Q113 A114 | I112-L116 HydrophobicContact CG2-CB 4.23Å; Q113-L116 HydrophobicContact CB-CD1 4.26Å; Q113-L116 HydrophobicContact CB-CG 4.29Å; Q113-L116 WeakPolarHBondContact O-CB 3.18Å; Q113-L116 PolarHBondContact O-N 3.11Å; A114-L116 PolarHBondContact O-N 2.91Å |
| 117 | L | 94 | Very high | 83.8 | Confident | 97 Ų | 97 | 128 Ų | 128 | 51% | 0.508 | 70% | 0.702 | S | S | . | * | S | Bend | trans | -75.9 | 143.4 | 175.6 | -62.3 | 175.4 | 0 | 0 | 0 | 109.9 | I112 A114 V115 K119 | I112-L117 HydrophobicContact CG2-CD2 3.82Å; I112-L117 HydrophobicContact CG2-CG 4.29Å; A114-L117 WeakPolarHBondContact O-CB 3.46Å; A114-L117 PolarHBondContact O-N 3.46Å; A114-L117 VanDerWaalsContact O-N 3.14Å; V115-L117 VanDerWaalsContact C-N 3.34Å; L117-K119 PolarHBondContact O-N 3Å |
| 118 | P | 92.5 | Very high | 82 | Confident | 119 Ų | 119 | 135.3 Ų | 135.3 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 137.1 | 176.6 | 23.8 | -31.9 | 0 | 0 | 0 | 110.4 | K120 | P118-K120 PolarHBondContact O-N 3.41Š|
| 119 | K | 86.1 | Confident | 80.1 | Confident | 199 Ų | 199 | 133.4 Ų | 133.4 | 87% | 0.865 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 130 | 171.1 | -67.3 | -175.6 | 179.9 | -179.3 | 0 | 108 | L117 T121 | L117-K119 PolarHBondContact O-N 3Å; K119-T121 PolarHBondContact O-N 3.38Å |
| 120 | K | 82 | Confident | 78 | Confident | 211 Ų | 211 | 144.1 Ų | 144.1 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | trans | -55.9 | 113.1 | 171.1 | -74.3 | -177.7 | 177.1 | -178.9 | 0 | 108 | P118 | P118-K120 PolarHBondContact O-N 3.41Š| ||
| 121 | T | 76.2 | Confident | 77.2 | Confident | 133 Ų | 133 | 145.8 Ų | 145.8 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | trans | -74.4 | 134 | 163.8 | 35.4 | 0 | 0 | 0 | 0 | 107.7 | K119 S123 | K119-T121 PolarHBondContact O-N 3.38Å; T121-S123 PolarHBondContact O-N 3.27Å; T121-S123 VanDerWaalsContact O-N 3.11Å | ||
| 122 | E | 72.5 | Confident | 76.2 | Confident | 170 Ų | 170 | 146.9 Ų | 146.9 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -57.9 | 119.1 | 170.1 | -67.3 | -172.5 | 168 | 0 | 0 | 108 | H124 | E122-H124 PolarHBondContact O-N 3.23Š| ||
| 123 | S | 67.1 | Low | 75.2 | Confident | 96 Ų | 96 | 148.5 Ų | 148.5 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | trans | -63 | 106.7 | 171.9 | 54.6 | 0 | 0 | 0 | 0 | 107.3 | T121 H125 | T121-S123 PolarHBondContact O-N 3.27Å; T121-S123 VanDerWaalsContact O-N 3.11Å; S123-H125 PolarHBondContact O-N 2.97Å | ||
| 124 | H | 61 | Low | 74 | Confident | 176 Ų | 176 | 150.5 Ų | 150.5 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | trans | -66.5 | 70.4 | 166.7 | -70.7 | -71.3 | 0 | 0 | 0 | 109.4 | E122 K126 | E122-H124 PolarHBondContact O-N 3.23Å; H124-K126 PolarHBondContact O-N 3.32Å | ||
| 125 | H | 60.3 | Low | 72.8 | Confident | 172 Ų | 172 | 154.9 Ų | 154.9 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -70.3 | 81.8 | 154.2 | -84.9 | -48.2 | 0 | 0 | 0 | 106.6 | S123 A127 | S123-H125 PolarHBondContact O-N 2.97Å; H125-A127 PolarHBondContact O-N 3.39Å | ||
| 126 | K | 56.8 | Low | 71.3 | Confident | 192 Ų | 192 | 156.5 Ų | 156.5 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -55.7 | 100.9 | 154 | -104.5 | -178.3 | 175.5 | 176.4 | 0 | 105.4 | H124 K128 | H124-K126 PolarHBondContact O-N 3.32Å; K126-K128 VanDerWaalsContact C-N 3.3Å; K126-K128 PolarHBondContact O-N 3.27Å | ||
| 127 | A | 60.7 | Low | 69.6 | Low | 97 Ų | 97 | 158.4 Ų | 158.4 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -51.8 | 105.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | H125 G129 | H125-A127 PolarHBondContact O-N 3.39Å; A127-G129 PolarHBondContact O-N 3.19Å | ||
| 128 | K | 58.5 | Low | 67.8 | Low | 205 Ų | 205 | 163.2 Ų | 163.2 | 89% | 0.891 | 84% | 0.84 | S | S | * | * | trans | -67.9 | 90.2 | 167.1 | -83.3 | -174 | 176.4 | 178.2 | 0 | 105.4 | K126 K130 | K126-K128 VanDerWaalsContact C-N 3.3Å; K126-K128 PolarHBondContact O-N 3.27Å; K128-K130 PolarHBondContact O-N 3.14Å | ||
| 129 | G | 56.1 | Low | 65.7 | Low | 70 Ų | 70 | 166.8 Ų | 166.8 | 72% | 0.722 | 85% | 0.846 | S | S | * | * | trans | -64.5 | 111.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | A127 | A127-G129 PolarHBondContact O-N 3.19Š| ||
| 130 | K | 51.1 | Low | 63.8 | Low | 281 Ų | 281 | 163.9 Ų | 163.9 | 100% | 1.222 | 84% | 0.844 | S | S | * | * | trans | -149.4 | 0 | 146.1 | -85.9 | -159.9 | 175.7 | -173.9 | 0 | 107.1 | K128 | K128-K130 PolarHBondContact O-N 3.14Š|
Retrieved 130 of 130 residues in 26.5 ms
(Link to these results)