| 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 | 56.5 | Low | 83.7 | Confident | 220 Ų | 220 | 124.8 Ų | 124.8 | 100% | 1.084 | 61% | 0.612 | S | S | * | * | 0 | 122 | 0 | -66 | -147.6 | -145.5 | 0 | 0 | 107 | V3 | M1-V3 PolarHBondContact O-N 3.03Å; M1-V3 VanDerWaalsContact O-N 3.17Å | |||
| 2 | D | 78.2 | Confident | 83.9 | Confident | 124 Ų | 124 | 125.3 Ų | 125.3 | 66% | 0.663 | 61% | 0.612 | S | S | * | * | trans | -66.7 | 113.3 | -173.4 | -57.4 | -40.1 | 0 | 0 | 0 | 110.5 | D4 K5 V6 | D2-D4 PolarHBondContact O-N 3.36Å; D2-K5 HydrophobicContact CB-CB 4.19Å; D2-K5 PolarHBondContact O-N 3.05Å; D2-K5 VanDerWaalsContact O-N 3.13Å; D2-V6 PolarHBondContact O-N 3.36Å | ||
| 3 | V | 82.8 | Confident | 83.9 | Confident | 95 Ų | 95 | 126.6 Ų | 126.6 | 58% | 0.576 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -58.1 | -32.3 | -175.7 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | M1 V6 R7 | M1-V3 PolarHBondContact O-N 3.03Å; M1-V3 VanDerWaalsContact O-N 3.17Å; V3-V6 PolarHBondContact O-N 2.81Å; V3-R7 PolarHBondContact O-N 3.46Å; V3-R7 VanDerWaalsContact O-N 3.1Å |
| 4 | D | 84.9 | Confident | 83.7 | Confident | 111 Ų | 111 | 124.6 Ų | 124.6 | 59% | 0.594 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.6 | -36.6 | -179.9 | -63.4 | -32.5 | 0 | 0 | 0 | 112.7 | D2 V6 R7 M8 | D2-D4 PolarHBondContact O-N 3.36Å; D4-V6 VanDerWaalsContact C-N 3.34Å; D4-V6 PolarHBondContact O-N 3.23Å; D4-R7 PolarHBondContact O-N 3.37Å; D4-R7 IonicContact OD1-NH1 2.69Å; D4-M8 WeakPolarHBondContact O-CG 3.46Å; D4-M8 PolarHBondContact O-N 3.38Å |
| 5 | K | 87 | Confident | 83.4 | Confident | 133 Ų | 133 | 127.5 Ų | 127.5 | 58% | 0.578 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.4 | -44.1 | 174.2 | -173.2 | 176.4 | 178.2 | -179.6 | 0 | 110.9 | D2 R7 M8 E9 | D2-K5 HydrophobicContact CB-CB 4.19Å; D2-K5 PolarHBondContact O-N 3.05Å; D2-K5 VanDerWaalsContact O-N 3.13Å; K5-R7 VanDerWaalsContact C-N 3.33Å; K5-R7 PolarHBondContact O-N 2.99Å; K5-M8 PolarHBondContact O-N 3.34Å; K5-E9 WeakPolarHBondContact CE-OE1 3.42Å; K5-E9 WeakPolarHBondContact O-CG 3.49Å; K5-E9 PolarHBondContact O-N 3.35Å |
| 6 | V | 88.1 | Confident | 82.9 | Confident | 80 Ų | 80 | 123.6 Ų | 123.6 | 49% | 0.485 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.7 | -37.8 | 177.3 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | D2 V3 D4 K10 | D2-V6 PolarHBondContact O-N 3.36Å; V3-V6 PolarHBondContact O-N 2.81Å; D4-V6 VanDerWaalsContact C-N 3.34Å; D4-V6 PolarHBondContact O-N 3.23Å; V6-K10 WeakPolarHBondContact O-CB 3.36Å; V6-K10 PolarHBondContact O-N 2.94Å; V6-K10 VanDerWaalsContact O-N 3.1Å |
| 7 | R | 90.4 | Very high | 82.4 | Confident | 155 Ų | 155 | 122 Ų | 122 | 59% | 0.585 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.3 | -44.5 | 174.1 | -86.1 | -169.4 | -179 | 116.2 | -1.8 | 112.2 | V3 D4 K5 K10 L11 | V3-R7 PolarHBondContact O-N 3.46Å; V3-R7 VanDerWaalsContact O-N 3.1Å; D4-R7 PolarHBondContact O-N 3.37Å; D4-R7 IonicContact OD1-NH1 2.69Å; K5-R7 VanDerWaalsContact C-N 3.33Å; K5-R7 PolarHBondContact O-N 2.99Å; R7-K10 PolarHBondContact O-N 3.45Å; R7-L11 WeakPolarHBondContact O-CG 3.42Å; R7-L11 PolarHBondContact O-N 3.24Å |
| 8 | M | 89.6 | Confident | 81.7 | Confident | 109 Ų | 109 | 118.7 Ų | 118.7 | 54% | 0.537 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.6 | -47.3 | 179.5 | -75.5 | -65.9 | -73.7 | 0 | 0 | 111.5 | D4 K5 K10 L11 E12 | D4-M8 WeakPolarHBondContact O-CG 3.46Å; D4-M8 PolarHBondContact O-N 3.38Å; K5-M8 PolarHBondContact O-N 3.34Å; M8-K10 VanDerWaalsContact C-N 3.29Å; M8-K10 PolarHBondContact O-N 3.02Å; M8-L11 PolarHBondContact O-N 2.96Å; M8-L11 VanDerWaalsContact O-N 3.13Å; M8-E12 WeakPolarHBondContact O-CG 3.29Å; M8-E12 PolarHBondContact O-N 3.5Å |
| 9 | E | 88.4 | Confident | 80.9 | Confident | 101 Ų | 101 | 120.5 Ų | 120.5 | 47% | 0.472 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -59.7 | -39.2 | 175.6 | -71 | 173.4 | -174.5 | 0 | 0 | 111.9 | K5 K13 | K5-E9 WeakPolarHBondContact CE-OE1 3.42Å; K5-E9 WeakPolarHBondContact O-CG 3.49Å; K5-E9 PolarHBondContact O-N 3.35Å; E9-K13 WeakPolarHBondContact O-CB 3.29Å; E9-K13 PolarHBondContact O-N 3.47Å |
| 10 | K | 88.6 | Confident | 80.2 | Confident | 140 Ų | 140 | 120.5 Ų | 120.5 | 61% | 0.609 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.2 | -41 | 175.7 | -173 | 174.6 | -177.6 | 178 | 0 | 112.1 | V6 R7 M8 K13 L14 | V6-K10 WeakPolarHBondContact O-CB 3.36Å; V6-K10 PolarHBondContact O-N 2.94Å; V6-K10 VanDerWaalsContact O-N 3.1Å; R7-K10 PolarHBondContact O-N 3.45Å; M8-K10 VanDerWaalsContact C-N 3.29Å; M8-K10 PolarHBondContact O-N 3.02Å; K10-K13 PolarHBondContact O-N 3.06Å; K10-L14 HydrophobicContact CG-CD1 4.21Å; K10-L14 WeakPolarHBondContact O-CB 3.3Å; K10-L14 VanDerWaalsContact O-CG 3.26Å; K10-L14 WeakPolarHBondContact O-CG 3.49Å; K10-L14 PolarHBondContact O-N 3.09Å |
| 11 | L | 86.4 | Confident | 79.8 | Confident | 105 Ų | 105 | 118.5 Ų | 118.5 | 55% | 0.55 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.6 | -42.6 | 177 | -76.9 | 171.8 | 0 | 0 | 0 | 111.6 | R7 M8 L14 K15 | R7-L11 WeakPolarHBondContact O-CG 3.42Å; R7-L11 PolarHBondContact O-N 3.24Å; M8-L11 PolarHBondContact O-N 2.96Å; M8-L11 VanDerWaalsContact O-N 3.13Å; L11-L14 PolarHBondContact O-N 3.27Å; L11-K15 WeakPolarHBondContact O-CB 3.41Å; L11-K15 PolarHBondContact O-N 3.38Å |
| 12 | E | 85.8 | Confident | 80.6 | Confident | 130 Ų | 130 | 112.4 Ų | 112.4 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62 | -44 | 175.1 | -72.6 | 178.9 | 171.8 | 0 | 0 | 111.6 | M8 L14 K15 G16 | M8-E12 WeakPolarHBondContact O-CG 3.29Å; M8-E12 PolarHBondContact O-N 3.5Å; E12-L14 PolarHBondContact O-N 3.3Å; E12-K15 WeakPolarHBondContact O-CB 3.45Å; E12-K15 PolarHBondContact O-N 3.06Å; E12-G16 PolarHBondContact O-N 3.45Å |
| 13 | K | 83.7 | Confident | 80.6 | Confident | 143 Ų | 143 | 112.8 Ų | 112.8 | 62% | 0.622 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.2 | -41.7 | 174.9 | -173 | 174.5 | -177.4 | 176.1 | 0 | 112.4 | E9 K10 G16 M17 | E9-K13 WeakPolarHBondContact O-CB 3.29Å; E9-K13 PolarHBondContact O-N 3.47Å; K10-K13 PolarHBondContact O-N 3.06Å; K13-G16 PolarHBondContact O-N 3.05Å; K13-M17 HydrophobicContact CD-CE 4.26Å; K13-M17 HydrophobicContact CG-CE 3.8Å; K13-M17 WeakPolarHBondContact O-CG 3.39Å; K13-M17 PolarHBondContact O-N 3.27Å |
| 14 | L | 81.6 | Confident | 80.2 | Confident | 99 Ų | 99 | 111 Ų | 111 | 52% | 0.518 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.1 | -38.1 | 176.1 | -74.4 | 167.6 | 0 | 0 | 0 | 111.9 | K10 L11 E12 M17 S18 | K10-L14 HydrophobicContact CG-CD1 4.21Å; K10-L14 WeakPolarHBondContact O-CB 3.3Å; K10-L14 VanDerWaalsContact O-CG 3.26Å; K10-L14 WeakPolarHBondContact O-CG 3.49Å; K10-L14 PolarHBondContact O-N 3.09Å; L11-L14 PolarHBondContact O-N 3.27Å; E12-L14 PolarHBondContact O-N 3.3Å; L14-M17 PolarHBondContact O-N 3.23Å; L14-S18 PolarHBondContact O-N 3.18Å; L14-S18 VanDerWaalsContact O-N 3.15Å |
| 15 | K | 79 | Confident | 80 | Confident | 168 Ų | 168 | 107.5 Ų | 107.5 | 73% | 0.73 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.9 | -39.5 | 175.8 | -167.3 | 178 | -180 | -175.9 | 0 | 111.6 | L11 E12 M17 S18 | L11-K15 WeakPolarHBondContact O-CB 3.41Å; L11-K15 PolarHBondContact O-N 3.38Å; E12-K15 WeakPolarHBondContact O-CB 3.45Å; E12-K15 PolarHBondContact O-N 3.06Å; K15-M17 VanDerWaalsContact C-N 3.28Å; K15-M17 PolarHBondContact O-N 3.49Å; K15-S18 PolarHBondContact O-N 3.36Å; K15-S18 PolarHBondContact O-OG 3.03Å |
| 16 | G | 76 | Confident | 79.6 | Confident | 64 Ų | 64 | 110.8 Ų | 110.8 | 66% | 0.66 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66 | -27.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E12 K13 | E12-G16 PolarHBondContact O-N 3.45Å; K13-G16 PolarHBondContact O-N 3.05Å |
| 17 | M | 74.1 | Confident | 79.2 | Confident | 97 Ų | 97 | 110.7 Ų | 110.7 | 48% | 0.478 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -86.7 | -10 | 178.7 | -69.2 | -179.4 | -173.4 | 0 | 0 | 114.1 | K13 L14 K15 D19 Q20 V21 | K13-M17 HydrophobicContact CD-CE 4.26Å; K13-M17 HydrophobicContact CG-CE 3.8Å; K13-M17 WeakPolarHBondContact O-CG 3.39Å; K13-M17 PolarHBondContact O-N 3.27Å; L14-M17 PolarHBondContact O-N 3.23Å; K15-M17 VanDerWaalsContact C-N 3.28Å; K15-M17 PolarHBondContact O-N 3.49Å; M17-D19 PolarHBondContact O-N 3.35Å; M17-Q20 PolarHBondContact O-N 3.43Å; M17-V21 PolarHBondContact O-N 3.48Å |
| 18 | S | 69.7 | Low | 78.8 | Confident | 63 Ų | 63 | 105.8 Ų | 105.8 | 44% | 0.441 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -59.4 | -33.2 | -173.7 | 64.4 | 0 | 0 | 0 | 0 | 113.1 | L14 K15 Q20 V21 | L14-S18 PolarHBondContact O-N 3.18Å; L14-S18 VanDerWaalsContact O-N 3.15Å; K15-S18 PolarHBondContact O-N 3.36Å; K15-S18 PolarHBondContact O-OG 3.03Å; S18-Q20 VanDerWaalsContact C-N 3.25Å; S18-Q20 PolarHBondContact O-N 3.02Å; S18-V21 WeakPolarHBondContact O-CB 3.45Å; S18-V21 WeakPolarHBondContact O-CG2 3.39Å; S18-V21 PolarHBondContact O-N 3.15Å |
| 19 | D | 66.9 | Low | 78.3 | Confident | 153 Ų | 153 | 104.1 Ų | 104.1 | 82% | 0.818 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -72.6 | -20.5 | -179.9 | -69.4 | -14.7 | 0 | 0 | 0 | 113 | M17 | M17-D19 PolarHBondContact O-N 3.35Š|
| 20 | Q | 66.9 | Low | 77.8 | Confident | 119 Ų | 119 | 106.1 Ų | 106.1 | 56% | 0.556 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -97.9 | 3.8 | 179.8 | -142.4 | 165.3 | 40.9 | 0 | 0 | 113 | M17 S18 R22 | M17-Q20 PolarHBondContact O-N 3.43Å; S18-Q20 VanDerWaalsContact C-N 3.25Å; S18-Q20 PolarHBondContact O-N 3.02Å; Q20-R22 PolarHBondContact O-N 3.23Å; Q20-R22 VanDerWaalsContact O-N 3.13Å |
| 21 | V | 70.4 | Confident | 77.3 | Confident | 79 Ų | 79 | 108.4 Ų | 108.4 | 48% | 0.479 | 59% | 0.587 | S | S | . | * | trans | -59.9 | 117.5 | -177.1 | 177 | 0 | 0 | 0 | 0 | 110.4 | M17 S18 R31 | M17-V21 PolarHBondContact O-N 3.48Å; S18-V21 WeakPolarHBondContact O-CB 3.45Å; S18-V21 WeakPolarHBondContact O-CG2 3.39Å; S18-V21 PolarHBondContact O-N 3.15Å; V21-R31 PolarHBondContact O-N 3.41Å | ||
| 22 | R | 74.8 | Confident | 76.8 | Confident | 92 Ų | 92 | 112.8 Ų | 112.8 | 35% | 0.347 | 60% | 0.602 | S | S | . | * | B | Isolated β-bridge | trans | -94.4 | 156.6 | 170.4 | -58.6 | -178.7 | -179.7 | 117.2 | -1.9 | 108.9 | Q20 G24 G25 T28 R30 | Q20-R22 PolarHBondContact O-N 3.23Å; Q20-R22 VanDerWaalsContact O-N 3.13Å; R22-G24 VanDerWaalsContact C-N 3.31Å; R22-G24 PolarHBondContact O-N 3.1Å; R22-G25 WeakPolarHBondContact CD-O 3.44Å; R22-T28 WeakPolarHBondContact CB-OG1 3.22Å; R22-R30 HydrophobicContact CG-CG 4.28Å |
| 23 | I | 77.9 | Confident | 76.4 | Confident | 132 Ų | 132 | 115.2 Ų | 115.2 | 68% | 0.677 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -68.6 | -30.5 | -176.7 | -60.8 | 176.6 | 0 | 0 | 0 | 111.8 | A29 R31 | I23-A29 PolarHBondContact N-O 3.02Å; I23-R31 HydrophobicContact CG1-CB 4.15Å |
| 24 | G | 73.7 | Confident | 76.3 | Confident | 57 Ų | 57 | 117.2 Ų | 117.2 | 59% | 0.588 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -149.6 | 31.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R22 T28 | R22-G24 VanDerWaalsContact C-N 3.31Å; R22-G24 PolarHBondContact O-N 3.1Å; G24-T28 VanDerWaalsContact C-OG1 3.23Å; G24-T28 WeakPolarHBondContact CA-OG1 3.42Å; G24-T28 PolarHBondContact N-OG1 3.39Å; G24-T28 WeakPolarHBondContact O-CG2 3.4Å |
| 25 | G | 80.7 | Confident | 76.2 | Confident | 38 Ų | 38 | 116.5 Ų | 116.5 | 39% | 0.392 | 62% | 0.619 | S | S | . | * | S | Bend | trans | 95.9 | -169.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | R22 G27 T28 | R22-G25 WeakPolarHBondContact CD-O 3.44Å; G25-G27 PolarHBondContact O-N 2.98Å; G25-T28 PolarHBondContact N-OG1 3.19Å; G25-T28 VanDerWaalsContact N-OG1 3.11Å; G25-T28 WeakPolarHBondContact O-CB 3.48Å; G25-T28 PolarHBondContact O-N 3.44Å; G25-T28 VanDerWaalsContact O-N 3.1Å; G25-T28 PolarHBondContact O-OG1 3.35Å |
| 26 | K | 78.4 | Confident | 76.4 | Confident | 202 Ų | 202 | 113.2 Ų | 113.2 | 88% | 0.878 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 126.8 | -173.7 | -174.1 | 177.1 | 178.3 | -176.9 | 0 | 110.3 | T28 | K26-T28 VanDerWaalsContact C-N 3.35Š|
| 27 | G | 80.4 | Confident | 76.6 | Confident | 79 Ų | 79 | 117.9 Ų | 117.9 | 81% | 0.814 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92 | -16.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G25 | G25-G27 PolarHBondContact O-N 2.98Š|
| 28 | T | 82.8 | Confident | 76.9 | Confident | 51 Ų | 51 | 121.8 Ų | 121.8 | 31% | 0.313 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -78.3 | 155 | 175 | 68.3 | 0 | 0 | 0 | 0 | 112.2 | R22 G24 G25 K26 R30 | R22-T28 WeakPolarHBondContact CB-OG1 3.22Å; G24-T28 VanDerWaalsContact C-OG1 3.23Å; G24-T28 WeakPolarHBondContact CA-OG1 3.42Å; G24-T28 PolarHBondContact N-OG1 3.39Å; G24-T28 WeakPolarHBondContact O-CG2 3.4Å; G25-T28 PolarHBondContact N-OG1 3.19Å; G25-T28 VanDerWaalsContact N-OG1 3.11Å; G25-T28 WeakPolarHBondContact O-CB 3.48Å; G25-T28 PolarHBondContact O-N 3.44Å; G25-T28 VanDerWaalsContact O-N 3.1Å; G25-T28 PolarHBondContact O-OG1 3.35Å; K26-T28 VanDerWaalsContact C-N 3.35Å; T28-R30 PolarHBondContact O-N 3.42Å |
| 29 | A | 78.8 | Confident | 77.4 | Confident | 75 Ų | 75 | 123.7 Ų | 123.7 | 62% | 0.62 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -54 | 130.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I23 | I23-A29 PolarHBondContact N-O 3.02Š|
| 30 | R | 77.3 | Confident | 78.1 | Confident | 143 Ų | 143 | 120.1 Ų | 120.1 | 54% | 0.54 | 63% | 0.628 | S | S | . | * | B | Isolated β-bridge | trans | -58.9 | 139.7 | 170.6 | -71.4 | 178.8 | 179.7 | -109.9 | 7.9 | 108.5 | R22 T28 K32 | R22-R30 HydrophobicContact CG-CG 4.28Å; T28-R30 PolarHBondContact O-N 3.42Å; R30-K32 PolarHBondContact O-N 3.14Å |
| 31 | R | 77.8 | Confident | 78.8 | Confident | 188 Ų | 188 | 117.8 Ų | 117.8 | 71% | 0.709 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 118.5 | 173.8 | -175.2 | -179.5 | -178.1 | -171.8 | 2.1 | 107.8 | V21 I23 K33 | V21-R31 PolarHBondContact O-N 3.41Å; I23-R31 HydrophobicContact CG1-CB 4.15Å; R31-K33 PolarHBondContact O-N 3.25Å; R31-K33 VanDerWaalsContact O-N 3.16Å |
| 32 | K | 76.4 | Confident | 79.5 | Confident | 196 Ų | 196 | 116.1 Ų | 116.1 | 85% | 0.852 | 62% | 0.624 | S | S | * | * | trans | -66.8 | 115.1 | 176 | -65.2 | -175.5 | -179.3 | -179.3 | 0 | 108 | R30 K34 | R30-K32 PolarHBondContact O-N 3.14Å; K32-K34 PolarHBondContact O-N 3.44Å | ||
| 33 | K | 78.1 | Confident | 80.2 | Confident | 181 Ų | 181 | 115.5 Ų | 115.5 | 79% | 0.787 | 63% | 0.627 | S | S | * | * | trans | -66.9 | 116.1 | 168.7 | -178.8 | 176.7 | 179.6 | 176.2 | 0 | 107.4 | R31 V35 | R31-K33 PolarHBondContact O-N 3.25Å; R31-K33 VanDerWaalsContact O-N 3.16Å; K33-V35 VanDerWaalsContact C-N 3.35Å; K33-V35 HydrophobicContact CD-CG2 4.34Å; K33-V35 HydrophobicContact CG-CG2 4.19Å; K33-V35 PolarHBondContact O-N 2.92Å | ||
| 34 | K | 80.2 | Confident | 80.7 | Confident | 186 Ų | 186 | 113.2 Ų | 113.2 | 81% | 0.809 | 62% | 0.617 | S | S | * | * | trans | -70 | 96.5 | 169.2 | -173.6 | -179.3 | -177.6 | -178.7 | 0 | 107.5 | K32 V36 | K32-K34 PolarHBondContact O-N 3.44Å; K34-V36 HydrophobicContact CD-CG2 4.36Å; K34-V36 HydrophobicContact CG-CG2 4.22Å; K34-V36 PolarHBondContact O-N 3.12Å | ||
| 35 | V | 81.1 | Confident | 81.6 | Confident | 83 Ų | 83 | 118.3 Ų | 118.3 | 50% | 0.503 | 62% | 0.622 | S | S | . | * | trans | -78.3 | 106.3 | 169.2 | -177.3 | 0 | 0 | 0 | 0 | 106.7 | K33 H37 | K33-V35 VanDerWaalsContact C-N 3.35Å; K33-V35 HydrophobicContact CD-CG2 4.34Å; K33-V35 HydrophobicContact CG-CG2 4.19Å; K33-V35 PolarHBondContact O-N 2.92Å; V35-H37 PolarHBondContact O-N 2.99Å; V35-H37 PolarHBondContact O-ND1 2.93Å; V35-H37 VanDerWaalsContact O-ND1 3.15Å | ||
| 36 | V | 82.1 | Confident | 82.2 | Confident | 99 Ų | 99 | 122.9 Ų | 122.9 | 60% | 0.6 | 63% | 0.632 | S | S | * | * | trans | -78.2 | 102.3 | 173.6 | -178.8 | 0 | 0 | 0 | 0 | 107.2 | K34 K38 | K34-V36 HydrophobicContact CD-CG2 4.36Å; K34-V36 HydrophobicContact CG-CG2 4.22Å; K34-V36 PolarHBondContact O-N 3.12Å; V36-K38 HydrophobicContact CG1-CG 4.34Å; V36-K38 PolarHBondContact O-N 3.12Å | ||
| 37 | H | 80.9 | Confident | 82.9 | Confident | 162 Ų | 162 | 117.3 Ų | 117.3 | 75% | 0.75 | 61% | 0.611 | S | S | * | * | trans | -77.9 | 102.9 | 170.8 | -60 | 85.9 | 0 | 0 | 0 | 107.4 | V35 N39 | V35-H37 PolarHBondContact O-N 2.99Å; V35-H37 PolarHBondContact O-ND1 2.93Å; V35-H37 VanDerWaalsContact O-ND1 3.15Å; H37-N39 PolarHBondContact O-N 2.93Å | ||
| 38 | K | 79.3 | Confident | 83.4 | Confident | 180 Ų | 180 | 115.7 Ų | 115.7 | 78% | 0.783 | 58% | 0.582 | S | S | * | * | trans | -76.4 | 111.6 | 168.4 | -64.3 | -175 | -179.5 | -176.5 | 0 | 107.1 | V36 A40 | V36-K38 HydrophobicContact CG1-CG 4.34Å; V36-K38 PolarHBondContact O-N 3.12Å; K38-A40 PolarHBondContact O-N 3.46Å | ||
| 39 | N | 81.1 | Confident | 83.9 | Confident | 102 Ų | 102 | 116 Ų | 116 | 55% | 0.545 | 59% | 0.587 | S | S | . | * | trans | -87.2 | 102.5 | 172.9 | -176.9 | 0.7 | 0 | 0 | 0 | 108.6 | H37 A41 A42 D43 | H37-N39 PolarHBondContact O-N 2.93Å; N39-A41 PolarHBondContact O-N 3.37Å; N39-A41 VanDerWaalsContact O-N 3.12Å; N39-A41 PolarHBondContact OD1-N 3.02Å; N39-A42 HydrophobicContact CB-CB 4.17Å; N39-A42 PolarHBondContact O-N 3.42Å; N39-D43 PolarHBondContact O-N 2.87Å | ||
| 40 | A | 80.4 | Confident | 84.6 | Confident | 79 Ų | 79 | 115.3 Ų | 115.3 | 65% | 0.653 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -53.8 | -33.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | K38 D43 D44 | K38-A40 PolarHBondContact O-N 3.46Å; A40-D43 PolarHBondContact O-N 3.31Å; A40-D44 PolarHBondContact O-N 3.25Å |
| 41 | A | 82.9 | Confident | 85.3 | Confident | 70 Ų | 70 | 109.9 Ų | 109.9 | 58% | 0.579 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.2 | -34.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N39 D43 K45 | N39-A41 PolarHBondContact O-N 3.37Å; N39-A41 VanDerWaalsContact O-N 3.12Å; N39-A41 PolarHBondContact OD1-N 3.02Å; A41-D43 VanDerWaalsContact C-N 3.34Å; A41-K45 PolarHBondContact O-N 2.91Å |
| 42 | A | 85.3 | Confident | 85.9 | Confident | 43 Ų | 43 | 109 Ų | 109 | 36% | 0.355 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.9 | -35.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N39 K46 | N39-A42 HydrophobicContact CB-CB 4.17Å; N39-A42 PolarHBondContact O-N 3.42Å; A42-K46 WeakPolarHBondContact O-CG 3.43Å; A42-K46 PolarHBondContact O-N 3.15Å |
| 43 | D | 88.2 | Confident | 86.7 | Confident | 80 Ų | 80 | 107.7 Ų | 107.7 | 43% | 0.428 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.2 | -39.7 | 178.8 | -68.5 | -21.2 | 0 | 0 | 0 | 111.6 | N39 A40 A41 K45 K46 L47 | N39-D43 PolarHBondContact O-N 2.87Å; A40-D43 PolarHBondContact O-N 3.31Å; A41-D43 VanDerWaalsContact C-N 3.34Å; D43-K45 PolarHBondContact O-N 3.46Å; D43-K46 PolarHBondContact O-N 3.35Å; D43-L47 WeakPolarHBondContact O-CB 3.45Å; D43-L47 PolarHBondContact O-N 3.46Å |
| 44 | D | 89.7 | Confident | 87.3 | Confident | 84 Ų | 84 | 104.4 Ų | 104.4 | 45% | 0.449 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 173.8 | -179.9 | 63.6 | 0 | 0 | 0 | 111.6 | A40 K46 L47 Q48 | A40-D44 PolarHBondContact O-N 3.25Å; D44-K46 VanDerWaalsContact C-N 3.29Å; D44-K46 PolarHBondContact O-N 2.89Å; D44-L47 CarbonylContact O-C 3.59Å; D44-L47 WeakPolarHBondContact O-CB 3.39Å; D44-L47 PolarHBondContact O-N 3.31Å; D44-L47 VanDerWaalsContact O-N 3.08Å; D44-Q48 WeakPolarHBondContact O-CG 3.39Å; D44-Q48 PolarHBondContact O-N 2.89Å; D44-Q48 PolarHBondContact OD1-NE2 2.76Å |
| 45 | K | 91.7 | Very high | 87.8 | Confident | 164 Ų | 164 | 101.5 Ų | 101.5 | 71% | 0.713 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.3 | -39.2 | 176.6 | -173 | 175.9 | -179.2 | 179.4 | 0 | 112.5 | A41 D43 S49 | A41-K45 PolarHBondContact O-N 2.91Å; D43-K45 PolarHBondContact O-N 3.46Å; K45-S49 PolarHBondContact O-N 3.19Å |
| 46 | K | 93.3 | Very high | 88.4 | Confident | 134 Ų | 134 | 98.1 Ų | 98.1 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.1 | -40.4 | 175.5 | -70 | 176.9 | -176.6 | 174.1 | 0 | 111.5 | A42 D43 D44 S49 S50 | A42-K46 WeakPolarHBondContact O-CG 3.43Å; A42-K46 PolarHBondContact O-N 3.15Å; D43-K46 PolarHBondContact O-N 3.35Å; D44-K46 VanDerWaalsContact C-N 3.29Å; D44-K46 PolarHBondContact O-N 2.89Å; K46-S49 PolarHBondContact O-N 2.98Å; K46-S49 PolarHBondContact O-OG 3.37Å; K46-S50 PolarHBondContact O-N 3.23Å; K46-S50 PolarHBondContact O-OG 2.99Å |
| 47 | L | 92.3 | Very high | 89 | Confident | 85 Ų | 85 | 99 Ų | 99 | 45% | 0.445 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 175.5 | -178.8 | 135.9 | 0 | 0 | 0 | 111 | D43 D44 S49 S50 L51 | D43-L47 WeakPolarHBondContact O-CB 3.45Å; D43-L47 PolarHBondContact O-N 3.46Å; D44-L47 CarbonylContact O-C 3.59Å; D44-L47 WeakPolarHBondContact O-CB 3.39Å; D44-L47 PolarHBondContact O-N 3.31Å; D44-L47 VanDerWaalsContact O-N 3.08Å; L47-S49 VanDerWaalsContact C-N 3.29Å; L47-S49 PolarHBondContact O-N 3.2Å; L47-S50 WeakPolarHBondContact O-CB 3.37Å; L47-S50 PolarHBondContact O-N 3.43Å; L47-L51 HydrophobicContact CD2-CD1 3.52Å; L47-L51 HydrophobicContact CD2-CG 4.4Å; L47-L51 HydrophobicContact CG-CD1 4.15Å; L47-L51 WeakPolarHBondContact O-CG 3.19Å; L47-L51 PolarHBondContact O-N 2.8Å |
| 48 | Q | 92.2 | Very high | 89.5 | Confident | 45 Ų | 45 | 95.1 Ų | 95.1 | 21% | 0.21 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -57.2 | -41.2 | 174.4 | -64.6 | -56.8 | -34.9 | 0 | 0 | 112.1 | D44 S50 L51 K52 | D44-Q48 WeakPolarHBondContact O-CG 3.39Å; D44-Q48 PolarHBondContact O-N 2.89Å; D44-Q48 PolarHBondContact OD1-NE2 2.76Å; Q48-S50 VanDerWaalsContact C-N 3.3Å; Q48-S50 PolarHBondContact O-N 3.46Å; Q48-L51 PolarHBondContact O-N 3.45Å; Q48-K52 WeakPolarHBondContact O-CB 3.45Å; Q48-K52 PolarHBondContact O-N 3Å |
| 49 | S | 93.2 | Very high | 90.1 | Very high | 58 Ų | 58 | 90 Ų | 90 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.5 | -33.2 | 176.3 | 77 | 0 | 0 | 0 | 0 | 113 | K45 K46 L47 K53 | K45-S49 PolarHBondContact O-N 3.19Å; K46-S49 PolarHBondContact O-N 2.98Å; K46-S49 PolarHBondContact O-OG 3.37Å; L47-S49 VanDerWaalsContact C-N 3.29Å; L47-S49 PolarHBondContact O-N 3.2Å; S49-K53 WeakPolarHBondContact O-CG 3.31Å; S49-K53 PolarHBondContact O-N 3.35Å |
| 50 | S | 92.9 | Very high | 90.7 | Very high | 60 Ų | 60 | 89.8 Ų | 89.8 | 42% | 0.42 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -74.2 | -41.6 | 178.4 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | K46 L47 Q48 K52 K53 L54 | K46-S50 PolarHBondContact O-N 3.23Å; K46-S50 PolarHBondContact O-OG 2.99Å; L47-S50 WeakPolarHBondContact O-CB 3.37Å; L47-S50 PolarHBondContact O-N 3.43Å; Q48-S50 VanDerWaalsContact C-N 3.3Å; Q48-S50 PolarHBondContact O-N 3.46Å; S50-K52 VanDerWaalsContact C-N 3.32Å; S50-K52 PolarHBondContact O-N 3.2Å; S50-K53 WeakPolarHBondContact O-CB 3.33Å; S50-K53 PolarHBondContact O-N 3.4Å; S50-L54 PolarHBondContact O-N 3.16Å |
| 51 | L | 92.4 | Very high | 91.2 | Very high | 28 Ų | 28 | 92.6 Ų | 92.6 | 15% | 0.147 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 175.9 | -62.8 | 172.4 | 0 | 0 | 0 | 111.4 | L47 Q48 K53 L54 L56 A92 | L47-L51 HydrophobicContact CD2-CD1 3.52Å; L47-L51 HydrophobicContact CD2-CG 4.4Å; L47-L51 HydrophobicContact CG-CD1 4.15Å; L47-L51 WeakPolarHBondContact O-CG 3.19Å; L47-L51 PolarHBondContact O-N 2.8Å; Q48-L51 PolarHBondContact O-N 3.45Å; L51-K53 VanDerWaalsContact C-N 3.33Å; L51-K53 PolarHBondContact O-N 3.25Å; L51-L54 PolarHBondContact O-N 2.88Å; L51-L56 HydrophobicContact CB-CB 4.39Å; L51-L56 HydrophobicContact CB-CD1 3.83Å; L51-L56 HydrophobicContact CD2-CD1 3.35Å; L51-L56 HydrophobicContact CG-CD1 4.15Å; L51-L56 WeakPolarHBondContact O-CB 3.02Å; L51-L56 PolarHBondContact O-N 3.16Å; L51-A92 HydrophobicContact CD1-CB 4.32Å; L51-A92 HydrophobicContact CD2-CB 4.09Å |
| 52 | K | 91.1 | Very high | 91.7 | Very high | 169 Ų | 169 | 91.1 Ų | 91.1 | 74% | 0.735 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.2 | -35.5 | 173.4 | -169.4 | 174.6 | -177.6 | 179.5 | 0 | 112.9 | Q48 S50 L54 N55 | Q48-K52 WeakPolarHBondContact O-CB 3.45Å; Q48-K52 PolarHBondContact O-N 3Å; S50-K52 VanDerWaalsContact C-N 3.32Å; S50-K52 PolarHBondContact O-N 3.2Å; K52-L54 VanDerWaalsContact C-N 3.29Å; K52-L54 PolarHBondContact O-N 3.13Å; K52-N55 PolarHBondContact O-N 3.47Å; K52-N55 VanDerWaalsContact O-N 3.12Å |
| 53 | K | 92.3 | Very high | 92 | Very high | 170 Ų | 170 | 96.4 Ų | 96.4 | 74% | 0.739 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.9 | -30.6 | 175.1 | -72.9 | 173.7 | -177.9 | -176 | 0 | 112.9 | S49 S50 L51 N55 | S49-K53 WeakPolarHBondContact O-CG 3.31Å; S49-K53 PolarHBondContact O-N 3.35Å; S50-K53 WeakPolarHBondContact O-CB 3.33Å; S50-K53 PolarHBondContact O-N 3.4Å; L51-K53 VanDerWaalsContact C-N 3.33Å; L51-K53 PolarHBondContact O-N 3.25Å; K53-N55 PolarHBondContact O-N 3.34Å |
| 54 | L | 90.8 | Very high | 92.2 | Very high | 112 Ų | 112 | 96 Ų | 96 | 59% | 0.586 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 10.1 | 174.1 | -63.6 | 175.7 | 0 | 0 | 0 | 112.8 | S50 L51 K52 L56 | S50-L54 PolarHBondContact O-N 3.16Å; L51-L54 PolarHBondContact O-N 2.88Å; K52-L54 VanDerWaalsContact C-N 3.29Å; K52-L54 PolarHBondContact O-N 3.13Å; L54-L56 HydrophobicContact CB-CD1 4.11Å; L54-L56 HydrophobicContact CB-CG 4.2Å; L54-L56 HydrophobicContact CD1-CD1 4.4Å; L54-L56 PolarHBondContact O-N 3.36Å |
| 55 | N | 91.4 | Very high | 92.3 | Very high | 124 Ų | 124 | 93.4 Ų | 93.4 | 66% | 0.663 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 31.7 | -178.3 | -56.8 | -40.9 | 0 | 0 | 0 | 113.6 | K52 K53 N57 | K52-N55 PolarHBondContact O-N 3.47Å; K52-N55 VanDerWaalsContact O-N 3.12Å; K53-N55 PolarHBondContact O-N 3.34Å; N55-N57 PolarHBondContact O-N 2.94Å |
| 56 | L | 93.9 | Very high | 92.3 | Very high | 12 Ų | 12 | 87.2 Ų | 87.2 | 6% | 0.063 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 119.3 | 174.6 | -67.9 | 162.3 | 0 | 0 | 0 | 109.8 | L51 L54 Q83 A85 V90 A92 | L51-L56 HydrophobicContact CB-CB 4.39Å; L51-L56 HydrophobicContact CB-CD1 3.83Å; L51-L56 HydrophobicContact CD2-CD1 3.35Å; L51-L56 HydrophobicContact CG-CD1 4.15Å; L51-L56 WeakPolarHBondContact O-CB 3.02Å; L51-L56 PolarHBondContact O-N 3.16Å; L54-L56 HydrophobicContact CB-CD1 4.11Å; L54-L56 HydrophobicContact CB-CG 4.2Å; L54-L56 HydrophobicContact CD1-CD1 4.4Å; L54-L56 PolarHBondContact O-N 3.36Å; L56-Q83 HydrophobicContact CB-CB 4.11Å; L56-A85 HydrophobicContact CD2-CB 3.74Å; L56-A85 HydrophobicContact CG-CB 4.43Å; L56-V90 HydrophobicContact CD1-CG1 4.45Å; L56-V90 HydrophobicContact CD2-CB 4.07Å; L56-V90 HydrophobicContact CD2-CG1 3.87Å; L56-V90 WeakPolarHBondContact CD2-O 3.49Å; L56-A92 HydrophobicContact CD1-CB 4.44Å |
| 57 | N | 92.9 | Very high | 92.2 | Very high | 118 Ų | 118 | 84.6 Ų | 84.6 | 63% | 0.631 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 140.2 | 178.4 | -71.2 | -29.6 | 0 | 0 | 0 | 110.3 | N55 I59 Q83 A84 | N55-N57 PolarHBondContact O-N 2.94Å; N57-I59 PolarHBondContact O-N 3.17Å; N57-Q83 CarbonylContact O-C 3.6Å; N57-Q83 VanDerWaalsContact O-CA 3.22Å; N57-Q83 WeakPolarHBondContact O-CA 3.49Å; N57-A84 PolarHBondContact N-O 3.12Å; N57-A84 PolarHBondContact O-N 2.81Å |
| 58 | T | 92.4 | Very high | 92.1 | Very high | 80 Ų | 80 | 83.7 Ų | 83.7 | 49% | 0.491 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 125.2 | 176.3 | -55.3 | 0 | 0 | 0 | 0 | 109.4 | Q83 | T58-Q83 PolarHBondContact OG1-NE2 3.42Å |
| 59 | I | 92.2 | Very high | 92 | Very high | 72 Ų | 72 | 85.2 Ų | 85.2 | 37% | 0.369 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 121.9 | 172.9 | -59.1 | 173.3 | 0 | 0 | 0 | 107.7 | N57 I62 V82 A84 | N57-I59 PolarHBondContact O-N 3.17Å; I59-I62 HydrophobicContact CB-CD1 3.58Å; I59-I62 HydrophobicContact CB-CG1 4.38Å; I59-I62 HydrophobicContact CD1-CD1 4.3Å; I59-I62 HydrophobicContact CG2-CD1 3.55Å; I59-I62 HydrophobicContact CG2-CG1 3.86Å; I59-V82 PolarHBondContact N-O 3.04Å; I59-A84 HydrophobicContact CD1-CB 3.65Å; I59-A84 HydrophobicContact CG1-CB 4.28Å |
| 60 | P | 92.8 | Very high | 91.6 | Very high | 99 Ų | 99 | 88.7 Ų | 88.7 | 64% | 0.643 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -74.3 | 153.8 | 178.1 | 31.2 | -34.3 | 0 | 0 | 0 | 111.5 | I62 | P60-I62 PolarHBondContact O-N 3.01Š|
| 61 | T | 90.9 | Very high | 91.4 | Very high | 138 Ų | 138 | 92.1 Ų | 92.1 | 85% | 0.847 | 48% | 0.479 | S | S | * | . | trans | 57.4 | 48.2 | 164.1 | -36.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 62 | I | 92.9 | Very high | 91 | Very high | 39 Ų | 39 | 92.3 Ų | 92.3 | 20% | 0.2 | 49% | 0.488 | C | S | . | . | trans | -87.4 | 124.6 | 171.1 | -71.4 | 165.7 | 0 | 0 | 0 | 109.6 | I59 P60 E64 V65 P80 V82 | I59-I62 HydrophobicContact CB-CD1 3.58Å; I59-I62 HydrophobicContact CB-CG1 4.38Å; I59-I62 HydrophobicContact CD1-CD1 4.3Å; I59-I62 HydrophobicContact CG2-CD1 3.55Å; I59-I62 HydrophobicContact CG2-CG1 3.86Å; P60-I62 PolarHBondContact O-N 3.01Å; I62-E64 WeakPolarHBondContact CG2-O 3.47Å; I62-V65 HydrophobicContact CG2-CG2 4.1Å; I62-P80 HydrophobicContact CG2-CG 4.06Å; I62-V82 HydrophobicContact CB-CG2 4.43Å; I62-V82 HydrophobicContact CD1-CB 3.46Å; I62-V82 VanDerWaalsContact CD1-CB 3.46Å; I62-V82 HydrophobicContact CD1-CG1 4.18Å; I62-V82 HydrophobicContact CD1-CG2 3.54Å; I62-V82 HydrophobicContact CG2-CG2 4.19Å | ||
| 63 | E | 92.8 | Very high | 90.9 | Very high | 153 Ų | 153 | 86.4 Ų | 86.4 | 72% | 0.715 | 47% | 0.466 | S | S | * | . | trans | -77.7 | -40.7 | 179.6 | -63.4 | -177.8 | 174.7 | 0 | 0 | 111.8 | N79 | E63-N79 WeakPolarHBondContact O-CA 3.01Å; E63-N79 PolarHBondContact O-N 3.15Å; E63-N79 PolarHBondContact O-OD1 3.48Å | ||
| 64 | E | 91.5 | Very high | 90.8 | Very high | 72 Ų | 72 | 78.4 Ų | 78.4 | 34% | 0.336 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 153.3 | -176.9 | 57.1 | -179.6 | -154.3 | 0 | 0 | 113.7 | I62 N66 H76 F77 Q112 | I62-E64 WeakPolarHBondContact CG2-O 3.47Å; E64-N66 PolarHBondContact OE1-ND2 3.48Å; E64-H76 IonicContact OE2-CE1 3.91Å; E64-H76 PolarHBondContact OE2-CE1 3.46Å; E64-F77 CarbonylContact C-O 3.58Å; E64-F77 WeakPolarHBondContact CA-O 3.33Å; E64-Q112 PolarHBondContact OE1-NE2 3.03Å; E64-Q112 PolarHBondContact OE1-OE1 3.29Å |
| 65 | V | 92.9 | Very high | 90.9 | Very high | 30 Ų | 30 | 74.1 Ų | 74.1 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.2 | 164.9 | 173.7 | 0 | 0 | 0 | 0 | 109.1 | I62 M67 F77 P80 V82 V93 | I62-V65 HydrophobicContact CG2-CG2 4.1Å; V65-M67 HydrophobicContact CG1-CE 4.41Å; V65-M67 HydrophobicContact CG1-CG 4.49Å; V65-F77 HydrophobicContact CB-CB 4.24Å; V65-F77 HydrophobicContact CB-CD2 4.32Å; V65-F77 HydrophobicContact CG1-CD2 4.4Å; V65-F77 PolarHBondContact N-O 2.91Å; V65-F77 PolarHBondContact O-N 2.88Å; V65-P80 HydrophobicContact CB-CG 4.04Å; V65-P80 HydrophobicContact CG2-CG 3.59Å; V65-V82 HydrophobicContact CG2-CG2 3.67Å; V65-V93 HydrophobicContact CB-CG1 4.34Å; V65-V93 HydrophobicContact CG1-CG1 4.41Å; V65-V93 HydrophobicContact CG1-CG2 4.13Å; V65-V93 HydrophobicContact CG2-CG1 4.36Å; V65-V93 HydrophobicContact CG2-CG2 4.43Å |
| 66 | N | 91.3 | Very high | 90.9 | Very high | 33 Ų | 33 | 69.1 Ų | 69.1 | 18% | 0.176 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122 | -178.2 | -67.1 | -46.1 | 0 | 0 | 0 | 109.9 | E64 Y68 M74 H76 M109 Q112 | E64-N66 PolarHBondContact OE1-ND2 3.48Å; N66-Y68 HydrophobicContact CB-CE2 4.46Å; N66-M74 HydrophobicContact CB-CG 4.47Å; N66-M74 HydrophobicContact CB-SD 3.66Å; N66-H76 PolarHBondContact OD1-ND1 2.81Å; N66-M109 HydrophobicContact CB-CE 4.19Å; N66-M109 WeakPolarHBondContact ND2-CE 3.46Å; N66-Q112 PolarHBondContact ND2-OE1 2.85Å; N66-Q112 VanDerWaalsContact ND2-OE1 3.15Å |
| 67 | M | 92.1 | Very high | 91 | Very high | 80 Ų | 80 | 69.5 Ų | 69.5 | 39% | 0.394 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 110.1 | 174.4 | -57.4 | -178 | 178.6 | 0 | 0 | 109.8 | V65 M74 I75 F77 V93 | V65-M67 HydrophobicContact CG1-CE 4.41Å; V65-M67 HydrophobicContact CG1-CG 4.49Å; M67-M74 CarbonylContact O-C 3.46Å; M67-M74 WeakPolarHBondContact O-CA 3.44Å; M67-M74 WeakPolarHBondContact O-CG 3.27Å; M67-I75 HydrophobicContact CB-CB 4.11Å; M67-I75 HydrophobicContact CB-CG1 4.41Å; M67-I75 PolarHBondContact N-O 2.84Å; M67-I75 PolarHBondContact O-N 2.98Å; M67-I75 HydrophobicContact SD-CD1 4.43Å; M67-F77 HydrophobicContact CE-CE2 3.96Å; M67-F77 HydrophobicContact CG-CE2 4.48Å; M67-F77 HydrophobicContact SD-CE2 4.06Å; M67-V93 HydrophobicContact CE-CB 4.25Å; M67-V93 HydrophobicContact CE-CG2 4.02Å |
| 68 | Y | 90.1 | Very high | 91 | Very high | 66 Ų | 66 | 70.9 Ų | 70.9 | 26% | 0.259 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 124.5 | 177.2 | -56.5 | -70.6 | 0 | 0 | 0 | 110.6 | N66 M74 L102 W113 A116 | N66-Y68 HydrophobicContact CB-CE2 4.46Å; Y68-M74 HydrophobicContact CD1-CB 4.32Å; Y68-M74 HydrophobicContact CD1-CG 3.96Å; Y68-M74 HydrophobicContact CD1-SD 3.76Å; Y68-M74 HydrophobicContact CE1-CG 4.11Å; Y68-M74 HydrophobicContact CE1-SD 3.27Å; Y68-M74 WeakPolarHBondContact CE1-SD 3.41Å; Y68-L102 HydrophobicContact CD1-CD2 3.77Å; Y68-L102 HydrophobicContact CE1-CD2 3.93Å; Y68-W113 AromaticContact CD1-CD1 3.48Å; Y68-W113 VanDerWaalsContact CD1-CD1 3.48Å; Y68-W113 HydrophobicContact CD1-CG 4.45Å; Y68-W113 HydrophobicContact CE1-CB 4.01Å; Y68-W113 AromaticContact CE1-CD1 3.54Å; Y68-W113 HydrophobicContact CE1-CG 4.13Å; Y68-W113 AromaticContact CG-CD1 3.82Å; Y68-W113 AromaticContact CZ-CD1 3.99Å; Y68-W113 PolarHBondContact OH-N 3.43Å; Y68-A116 HydrophobicContact CD2-CB 3.98Å; Y68-A116 HydrophobicContact CE2-CB 3.69Å |
| 69 | K | 89.1 | Confident | 91.1 | Very high | 77 Ų | 77 | 72.6 Ų | 72.6 | 34% | 0.335 | 39% | 0.389 | S | S | . | . | trans | -92.5 | 154.2 | 174 | -64.5 | -176.6 | -179.2 | 179.7 | 0 | 110.6 | D71 G72 T73 | K69-D71 PolarHBondContact O-N 2.69Å; K69-G72 PolarHBondContact O-N 3.29Å; K69-T73 WeakPolarHBondContact CB-O 3.05Å; K69-T73 WeakPolarHBondContact CD-OG1 3.39Å; K69-T73 PolarHBondContact N-O 3.01Å | ||
| 70 | P | 85.9 | Confident | 91.2 | Very high | 130 Ų | 130 | 69.6 Ų | 69.6 | 84% | 0.844 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.7 | 175.1 | 26.2 | -34.9 | 0 | 0 | 0 | 113.2 | G72 | P70-G72 PolarHBondContact O-N 2.9Å; P70-G72 VanDerWaalsContact O-N 3.12Å |
| 71 | D | 87.5 | Confident | 91.3 | Very high | 133 Ų | 133 | 69.6 Ų | 69.6 | 71% | 0.711 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 2.4 | -178.6 | -48.4 | -33.4 | 0 | 0 | 0 | 114 | K69 | K69-D71 PolarHBondContact O-N 2.69Š|
| 72 | G | 84.5 | Confident | 91.5 | Very high | 32 Ų | 32 | 63.2 Ų | 63.2 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 79.4 | 16.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K69 P70 L102 | K69-G72 PolarHBondContact O-N 3.29Å; P70-G72 PolarHBondContact O-N 2.9Å; P70-G72 VanDerWaalsContact O-N 3.12Å; G72-L102 VanDerWaalsContact O-CG 3.31Å; G72-L102 WeakPolarHBondContact O-CG 3.17Å; G72-L102 PolarHBondContact O-N 3.46Å |
| 73 | T | 88.8 | Confident | 91.6 | Very high | 45 Ų | 45 | 62 Ų | 62 | 28% | 0.276 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 158.3 | 173.5 | 56 | 0 | 0 | 0 | 0 | 111.1 | K69 | K69-T73 WeakPolarHBondContact CB-O 3.05Å; K69-T73 WeakPolarHBondContact CD-OG1 3.39Å; K69-T73 PolarHBondContact N-O 3.01Å |
| 74 | M | 89.6 | Confident | 91.6 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.4 | 178.9 | -173.2 | 175.8 | 62.7 | 0 | 0 | 111.1 | N66 M67 Y68 H76 K100 L102 L105 M109 | N66-M74 HydrophobicContact CB-CG 4.47Å; N66-M74 HydrophobicContact CB-SD 3.66Å; M67-M74 CarbonylContact O-C 3.46Å; M67-M74 WeakPolarHBondContact O-CA 3.44Å; M67-M74 WeakPolarHBondContact O-CG 3.27Å; Y68-M74 HydrophobicContact CD1-CB 4.32Å; Y68-M74 HydrophobicContact CD1-CG 3.96Å; Y68-M74 HydrophobicContact CD1-SD 3.76Å; Y68-M74 HydrophobicContact CE1-CG 4.11Å; Y68-M74 HydrophobicContact CE1-SD 3.27Å; Y68-M74 WeakPolarHBondContact CE1-SD 3.41Å; M74-H76 HydrophobicContact CE-CB 4.23Å; M74-K100 PolarHBondContact N-O 3.3Å; M74-K100 PolarHBondContact O-N 3.43Å; M74-L102 HydrophobicContact CB-CD2 4.35Å; M74-L105 HydrophobicContact CE-CD1 3.08Å; M74-M109 HydrophobicContact CE-CE 3.7Å; M74-M109 HydrophobicContact SD-CE 3.75Å |
| 75 | I | 93.4 | Very high | 91.7 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 114.8 | 163.4 | -42.2 | -178.3 | 0 | 0 | 0 | 107.8 | M67 F77 A97 E98 Y99 | M67-I75 HydrophobicContact CB-CB 4.11Å; M67-I75 HydrophobicContact CB-CG1 4.41Å; M67-I75 PolarHBondContact N-O 2.84Å; M67-I75 PolarHBondContact O-N 2.98Å; M67-I75 HydrophobicContact SD-CD1 4.43Å; I75-F77 HydrophobicContact CB-CE2 4.21Å; I75-F77 HydrophobicContact CG2-CD2 4.21Å; I75-F77 HydrophobicContact CG2-CE2 3.5Å; I75-F77 VanDerWaalsContact CG2-CE2 3.5Å; I75-F77 HydrophobicContact CG2-CZ 3.82Å; I75-A97 HydrophobicContact CG2-CB 3.74Å; I75-E98 WeakPolarHBondContact CA-O 3.25Å; I75-Y99 HydrophobicContact CD1-CE1 3.84Å; I75-Y99 HydrophobicContact CG1-CD1 3.99Å; I75-Y99 HydrophobicContact CG1-CE1 3.79Å; I75-Y99 HydrophobicContact CG2-CE1 4.35Å |
| 76 | H | 92.4 | Very high | 91.4 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.8 | 177.1 | 178.3 | 71.1 | 0 | 0 | 0 | 110 | E64 N66 M74 E98 | E64-H76 IonicContact OE2-CE1 3.91Å; E64-H76 PolarHBondContact OE2-CE1 3.46Å; N66-H76 PolarHBondContact OD1-ND1 2.81Å; M74-H76 HydrophobicContact CE-CB 4.23Å; H76-E98 HydrophobicContact CB-CB 4.46Å; H76-E98 IonicContact CD2-OE2 3.48Å; H76-E98 PolarHBondContact N-O 3.28Å; H76-E98 PolarHBondContact O-N 3.32Å |
| 77 | F | 94.9 | Very high | 91.3 | Very high | 20 Ų | 20 | 61.7 Ų | 61.7 | 9% | 0.088 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.2 | 171.6 | -64.6 | -94.5 | 0 | 0 | 0 | 108.8 | E64 V65 M67 I75 P80 V93 Q96 A97 | E64-F77 CarbonylContact C-O 3.58Å; E64-F77 WeakPolarHBondContact CA-O 3.33Å; V65-F77 HydrophobicContact CB-CB 4.24Å; V65-F77 HydrophobicContact CB-CD2 4.32Å; V65-F77 HydrophobicContact CG1-CD2 4.4Å; V65-F77 PolarHBondContact N-O 2.91Å; V65-F77 PolarHBondContact O-N 2.88Å; M67-F77 HydrophobicContact CE-CE2 3.96Å; M67-F77 HydrophobicContact CG-CE2 4.48Å; M67-F77 HydrophobicContact SD-CE2 4.06Å; I75-F77 HydrophobicContact CB-CE2 4.21Å; I75-F77 HydrophobicContact CG2-CD2 4.21Å; I75-F77 HydrophobicContact CG2-CE2 3.5Å; I75-F77 VanDerWaalsContact CG2-CE2 3.5Å; I75-F77 HydrophobicContact CG2-CZ 3.82Å; F77-P80 HydrophobicContact CB-CB 3.94Å; F77-P80 HydrophobicContact CB-CG 3.89Å; F77-V93 HydrophobicContact CD1-CG1 4.17Å; F77-V93 HydrophobicContact CD2-CG1 4.19Å; F77-V93 HydrophobicContact CE1-CG1 4.36Å; F77-V93 HydrophobicContact CE2-CG1 4.39Å; F77-V93 HydrophobicContact CG-CG1 4.08Å; F77-V93 HydrophobicContact CZ-CG1 4.47Å; F77-Q96 VanDerWaalsContact CD1-O 3.25Å; F77-Q96 WeakPolarHBondContact CD1-O 3.44Å; F77-A97 HydrophobicContact CD1-CB 4.28Å; F77-A97 HydrophobicContact CE1-CB 3.55Å; F77-A97 HydrophobicContact CZ-CB 3.71Å |
| 78 | K | 93 | Very high | 91.2 | Very high | 147 Ų | 147 | 60.9 Ų | 60.9 | 64% | 0.639 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 128.8 | 171.9 | -173.2 | 174.4 | -177.8 | 177.2 | 0 | 110.3 | P80 | K78-P80 VanDerWaalsContact C-CD 3.48Å |
| 79 | N | 94.2 | Very high | 91.2 | Very high | 117 Ų | 117 | 64 Ų | 64 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 47 | 51.4 | -177.8 | -59.3 | 20.8 | 0 | 0 | 0 | 114.2 | E63 | E63-N79 WeakPolarHBondContact O-CA 3.01Å; E63-N79 PolarHBondContact O-N 3.15Å; E63-N79 PolarHBondContact O-OD1 3.48Å |
| 80 | P | 95.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 63.4 Ų | 63.4 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | trans | -73.2 | 154.9 | 180 | 30.4 | -33.1 | 0 | 0 | 0 | 112.4 | I62 V65 F77 K78 V82 V93 | I62-P80 HydrophobicContact CG2-CG 4.06Å; V65-P80 HydrophobicContact CB-CG 4.04Å; V65-P80 HydrophobicContact CG2-CG 3.59Å; F77-P80 HydrophobicContact CB-CB 3.94Å; F77-P80 HydrophobicContact CB-CG 3.89Å; K78-P80 VanDerWaalsContact C-CD 3.48Å; P80-V82 HydrophobicContact CB-CG2 4.18Å; P80-V82 HydrophobicContact CG-CG2 3.94Å; P80-V93 HydrophobicContact CB-CG1 3.84Å; P80-V93 HydrophobicContact CG-CG1 4.42Å | ||
| 81 | K | 94.1 | Very high | 91.7 | Very high | 99 Ų | 99 | 63.3 Ų | 63.3 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 111.9 | 163.9 | 173.9 | -173.3 | -178.9 | -171 | 0 | 108.2 | T94 | K81-T94 WeakPolarHBondContact CB-OG1 3.46Å; K81-T94 PolarHBondContact N-O 3.19Å; K81-T94 PolarHBondContact O-N 2.78Å; K81-T94 PolarHBondContact O-OG1 3.2Å |
| 82 | V | 94.7 | Very high | 92 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136 | -178.9 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | I59 I62 V65 P80 A92 V93 | I59-V82 PolarHBondContact N-O 3.04Å; I62-V82 HydrophobicContact CB-CG2 4.43Å; I62-V82 HydrophobicContact CD1-CB 3.46Å; I62-V82 VanDerWaalsContact CD1-CB 3.46Å; I62-V82 HydrophobicContact CD1-CG1 4.18Å; I62-V82 HydrophobicContact CD1-CG2 3.54Å; I62-V82 HydrophobicContact CG2-CG2 4.19Å; V65-V82 HydrophobicContact CG2-CG2 3.67Å; P80-V82 HydrophobicContact CB-CG2 4.18Å; P80-V82 HydrophobicContact CG-CG2 3.94Å; V82-A92 WeakPolarHBondContact CA-O 3.4Å; V82-V93 HydrophobicContact CG1-CG2 4.23Å; V82-V93 HydrophobicContact CG2-CG1 4.44Å; V82-V93 HydrophobicContact CG2-CG2 4.35Å |
| 83 | Q | 94.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 58.2 Ų | 58.2 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133 | 167.7 | -59.2 | 178.1 | -23.7 | 0 | 0 | 108.1 | L56 N57 T58 A92 | L56-Q83 HydrophobicContact CB-CB 4.11Å; N57-Q83 CarbonylContact O-C 3.6Å; N57-Q83 VanDerWaalsContact O-CA 3.22Å; N57-Q83 WeakPolarHBondContact O-CA 3.49Å; T58-Q83 PolarHBondContact OG1-NE2 3.42Å; Q83-A92 HydrophobicContact CB-CB 4.34Å; Q83-A92 PolarHBondContact N-O 2.85Å; Q83-A92 PolarHBondContact O-N 3.38Å |
| 84 | A | 93.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 148 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N57 I59 V90 F91 | N57-A84 PolarHBondContact N-O 3.12Å; N57-A84 PolarHBondContact O-N 2.81Å; I59-A84 HydrophobicContact CD1-CB 3.65Å; I59-A84 HydrophobicContact CG1-CB 4.28Å; A84-V90 WeakPolarHBondContact CA-O 3.5Å; A84-F91 HydrophobicContact CB-CD1 3.45Å; A84-F91 VanDerWaalsContact CB-CD1 3.45Å; A84-F91 HydrophobicContact CB-CE1 3.65Å; A84-F91 HydrophobicContact CB-CG 4.41Å |
| 85 | A | 93 | Very high | 92.8 | Very high | 10 Ų | 10 | 61.2 Ų | 61.2 | 8% | 0.083 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 87.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | L56 Q87 A88 N89 V90 | L56-A85 HydrophobicContact CD2-CB 3.74Å; L56-A85 HydrophobicContact CG-CB 4.43Å; A85-Q87 PolarHBondContact O-N 3.37Å; A85-Q87 VanDerWaalsContact O-N 3.14Å; A85-A88 HydrophobicContact CB-CB 4.14Å; A85-A88 PolarHBondContact O-N 3.26Å; A85-N89 PolarHBondContact O-N 2.88Å; A85-N89 VanDerWaalsContact O-N 3.1Å; A85-V90 PolarHBondContact N-O 3.08Å; A85-V90 PolarHBondContact O-N 2.92Å |
| 86 | P | 87 | Confident | 92.9 | Very high | 82 Ų | 82 | 68.1 Ų | 68.1 | 53% | 0.532 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -57.5 | -31.4 | -175.6 | -26 | 34.9 | 0 | 0 | 0 | 113.1 | A88 N89 | P86-A88 VanDerWaalsContact C-N 3.3Å; P86-A88 PolarHBondContact O-N 2.9Å; P86-N89 PolarHBondContact O-N 2.86Å; P86-N89 PolarHBondContact O-OD1 2.8Å |
| 87 | Q | 89 | Confident | 92.9 | Very high | 188 Ų | 188 | 69.4 Ų | 69.4 | 88% | 0.879 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -67.1 | -30.8 | 177.8 | -59.4 | -58.6 | -34.7 | 0 | 0 | 113.1 | A85 | A85-Q87 PolarHBondContact O-N 3.37Å; A85-Q87 VanDerWaalsContact O-N 3.14Å |
| 88 | A | 89.6 | Confident | 92.8 | Very high | 62 Ų | 62 | 72.2 Ų | 72.2 | 51% | 0.512 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -100.1 | 1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A85 P86 V90 | A85-A88 HydrophobicContact CB-CB 4.14Å; A85-A88 PolarHBondContact O-N 3.26Å; P86-A88 VanDerWaalsContact C-N 3.3Å; P86-A88 PolarHBondContact O-N 2.9Å; A88-V90 HydrophobicContact CB-CG2 4.06Å; A88-V90 WeakPolarHBondContact O-CG2 3.32Å; A88-V90 PolarHBondContact O-N 2.86Å |
| 89 | N | 89.5 | Confident | 92.8 | Very high | 132 Ų | 132 | 73 Ų | 73 | 71% | 0.706 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 28.9 | -172.9 | -58.8 | -47.1 | 0 | 0 | 0 | 114 | A85 P86 | A85-N89 PolarHBondContact O-N 2.88Å; A85-N89 VanDerWaalsContact O-N 3.1Å; P86-N89 PolarHBondContact O-N 2.86Å; P86-N89 PolarHBondContact O-OD1 2.8Å |
| 90 | V | 92.4 | Very high | 92.5 | Very high | 64 Ų | 64 | 70.1 Ų | 70.1 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 129.2 | -179.9 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | L56 A84 A85 A88 | L56-V90 HydrophobicContact CD1-CG1 4.45Å; L56-V90 HydrophobicContact CD2-CB 4.07Å; L56-V90 HydrophobicContact CD2-CG1 3.87Å; L56-V90 WeakPolarHBondContact CD2-O 3.49Å; A84-V90 WeakPolarHBondContact CA-O 3.5Å; A85-V90 PolarHBondContact N-O 3.08Å; A85-V90 PolarHBondContact O-N 2.92Å; A88-V90 HydrophobicContact CB-CG2 4.06Å; A88-V90 WeakPolarHBondContact O-CG2 3.32Å; A88-V90 PolarHBondContact O-N 2.86Å |
| 91 | F | 93.6 | Very high | 92.1 | Very high | 129 Ų | 129 | 73.4 Ų | 73.4 | 57% | 0.566 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130 | 176.6 | -60.6 | -91.3 | 0 | 0 | 0 | 110 | A84 | A84-F91 HydrophobicContact CB-CD1 3.45Å; A84-F91 VanDerWaalsContact CB-CD1 3.45Å; A84-F91 HydrophobicContact CB-CE1 3.65Å; A84-F91 HydrophobicContact CB-CG 4.41Å |
| 92 | A | 94.1 | Very high | 91.4 | Very high | 19 Ų | 19 | 70.2 Ų | 70.2 | 16% | 0.157 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 117.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | L51 L56 V82 Q83 | L51-A92 HydrophobicContact CD1-CB 4.32Å; L51-A92 HydrophobicContact CD2-CB 4.09Å; L56-A92 HydrophobicContact CD1-CB 4.44Å; V82-A92 WeakPolarHBondContact CA-O 3.4Å; Q83-A92 HydrophobicContact CB-CB 4.34Å; Q83-A92 PolarHBondContact N-O 2.85Å; Q83-A92 PolarHBondContact O-N 3.38Å |
| 93 | V | 94.6 | Very high | 90.7 | Very high | 38 Ų | 38 | 76.3 Ų | 76.3 | 23% | 0.23 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.2 | -176 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | V65 M67 F77 P80 V82 | V65-V93 HydrophobicContact CB-CG1 4.34Å; V65-V93 HydrophobicContact CG1-CG1 4.41Å; V65-V93 HydrophobicContact CG1-CG2 4.13Å; V65-V93 HydrophobicContact CG2-CG1 4.36Å; V65-V93 HydrophobicContact CG2-CG2 4.43Å; M67-V93 HydrophobicContact CE-CB 4.25Å; M67-V93 HydrophobicContact CE-CG2 4.02Å; F77-V93 HydrophobicContact CD1-CG1 4.17Å; F77-V93 HydrophobicContact CD2-CG1 4.19Å; F77-V93 HydrophobicContact CE1-CG1 4.36Å; F77-V93 HydrophobicContact CE2-CG1 4.39Å; F77-V93 HydrophobicContact CG-CG1 4.08Å; F77-V93 HydrophobicContact CZ-CG1 4.47Å; P80-V93 HydrophobicContact CB-CG1 3.84Å; P80-V93 HydrophobicContact CG-CG1 4.42Å; V82-V93 HydrophobicContact CG1-CG2 4.23Å; V82-V93 HydrophobicContact CG2-CG1 4.44Å; V82-V93 HydrophobicContact CG2-CG2 4.35Å |
| 94 | T | 92.7 | Very high | 90 | Very high | 61 Ų | 61 | 81.2 Ų | 81.2 | 37% | 0.374 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122.5 | 176.4 | 55 | 0 | 0 | 0 | 0 | 109.3 | K81 | K81-T94 WeakPolarHBondContact CB-OG1 3.46Å; K81-T94 PolarHBondContact N-O 3.19Å; K81-T94 PolarHBondContact O-N 2.78Å; K81-T94 PolarHBondContact O-OG1 3.2Å |
| 95 | G | 93 | Very high | 88.8 | Confident | 49 Ų | 49 | 83 Ų | 83 | 51% | 0.505 | 45% | 0.454 | S | S | . | . | S | Bend | trans | 170.3 | 178.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 96 | Q | 94.2 | Very high | 88 | Confident | 167 Ų | 167 | 87 Ų | 87 | 78% | 0.78 | 47% | 0.469 | S | S | * | . | trans | -78 | 125.5 | 173 | -67.6 | -175.6 | -16.8 | 0 | 0 | 109.8 | F77 | F77-Q96 VanDerWaalsContact CD1-O 3.25Å; F77-Q96 WeakPolarHBondContact CD1-O 3.44Å | ||
| 97 | A | 94 | Very high | 87.4 | Confident | 46 Ų | 46 | 87.8 Ų | 87.8 | 38% | 0.38 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 122.9 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | I75 F77 | I75-A97 HydrophobicContact CG2-CB 3.74Å; F77-A97 HydrophobicContact CD1-CB 4.28Å; F77-A97 HydrophobicContact CE1-CB 3.55Å; F77-A97 HydrophobicContact CZ-CB 3.71Å |
| 98 | E | 92 | Very high | 86.8 | Confident | 78 Ų | 78 | 85.4 Ų | 85.4 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125.5 | 170.9 | -64.9 | -178.9 | -177.3 | 0 | 0 | 109.6 | I75 H76 K100 | I75-E98 WeakPolarHBondContact CA-O 3.25Å; H76-E98 HydrophobicContact CB-CB 4.46Å; H76-E98 IonicContact CD2-OE2 3.48Å; H76-E98 PolarHBondContact N-O 3.28Å; H76-E98 PolarHBondContact O-N 3.32Å; E98-K100 WeakPolarHBondContact OE2-CE 3.04Å; E98-K100 IonicContact OE2-NZ 3.89Å; E98-K100 PolarHBondContact OE2-NZ 3.33Å |
| 99 | Y | 92.6 | Very high | 86.3 | Confident | 165 Ų | 165 | 83.5 Ų | 83.5 | 65% | 0.647 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 113.7 | 175.3 | -62 | -84.3 | 0 | 0 | 0 | 109 | I75 | I75-Y99 HydrophobicContact CD1-CE1 3.84Å; I75-Y99 HydrophobicContact CG1-CD1 3.99Å; I75-Y99 HydrophobicContact CG1-CE1 3.79Å; I75-Y99 HydrophobicContact CG2-CE1 4.35Å |
| 100 | K | 89.1 | Confident | 85.8 | Confident | 56 Ų | 56 | 79.6 Ų | 79.6 | 24% | 0.243 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 151.2 | -180 | -68.6 | -179.9 | 178.8 | 166.8 | 0 | 110.3 | M74 E98 L105 | M74-K100 PolarHBondContact N-O 3.3Å; M74-K100 PolarHBondContact O-N 3.43Å; E98-K100 WeakPolarHBondContact OE2-CE 3.04Å; E98-K100 IonicContact OE2-NZ 3.89Å; E98-K100 PolarHBondContact OE2-NZ 3.33Å; K100-L105 HydrophobicContact CB-CD1 3.9Å; K100-L105 HydrophobicContact CD-CD1 3.74Å; K100-L105 HydrophobicContact CD-CD2 3.95Å; K100-L105 HydrophobicContact CD-CG 4.04Å; K100-L105 HydrophobicContact CG-CD1 4.45Å |
| 101 | T | 87.2 | Confident | 85.4 | Confident | 76 Ų | 76 | 82 Ų | 82 | 47% | 0.466 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 148.4 | 168.7 | 62.5 | 0 | 0 | 0 | 0 | 108.6 | N103 D104 | T101-N103 PolarHBondContact O-N 2.95Å; T101-N103 VanDerWaalsContact O-N 3.16Å; T101-D104 PolarHBondContact O-N 2.85Å |
| 102 | L | 78.1 | Confident | 85.1 | Confident | 33 Ų | 33 | 79.4 Ų | 79.4 | 17% | 0.173 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -53.6 | -37.7 | 178.9 | -72.8 | 170.5 | 0 | 0 | 0 | 111.5 | Y68 G72 M74 D104 L105 F106 W113 | Y68-L102 HydrophobicContact CD1-CD2 3.77Å; Y68-L102 HydrophobicContact CE1-CD2 3.93Å; G72-L102 VanDerWaalsContact O-CG 3.31Å; G72-L102 WeakPolarHBondContact O-CG 3.17Å; G72-L102 PolarHBondContact O-N 3.46Å; M74-L102 HydrophobicContact CB-CD2 4.35Å; L102-D104 VanDerWaalsContact C-N 3.28Å; L102-D104 PolarHBondContact O-N 3.46Å; L102-L105 PolarHBondContact O-N 3.16Å; L102-F106 VanDerWaalsContact C-CE2 3.42Å; L102-F106 HydrophobicContact CB-CE2 4.34Å; L102-F106 WeakPolarHBondContact O-CD2 3.45Å; L102-F106 WeakPolarHBondContact O-CE2 3.49Å; L102-W113 HydrophobicContact CD1-CZ2 4.43Å |
| 103 | N | 79.7 | Confident | 84.6 | Confident | 133 Ų | 133 | 82.6 Ų | 82.6 | 71% | 0.711 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -61.7 | -27.8 | -176.7 | -66.7 | -15.5 | 0 | 0 | 0 | 114.8 | T101 L105 F106 | T101-N103 PolarHBondContact O-N 2.95Å; T101-N103 VanDerWaalsContact O-N 3.16Å; N103-L105 VanDerWaalsContact C-N 3.31Å; N103-L105 PolarHBondContact O-N 3.42Å; N103-F106 VanDerWaalsContact CA-CD2 3.44Å; N103-F106 WeakPolarHBondContact O-CD2 3.43Å |
| 104 | D | 79.9 | Confident | 84.2 | Confident | 115 Ų | 115 | 85.6 Ų | 85.6 | 62% | 0.615 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -79.2 | -13.6 | -173.5 | -166.2 | 32.7 | 0 | 0 | 0 | 113.4 | T101 L102 | T101-D104 PolarHBondContact O-N 2.85Å; L102-D104 VanDerWaalsContact C-N 3.28Å; L102-D104 PolarHBondContact O-N 3.46Å |
| 105 | L | 70.2 | Confident | 84 | Confident | 41 Ų | 41 | 85.9 Ų | 85.9 | 22% | 0.215 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -115.5 | 13.4 | -173.1 | -65.3 | 161.3 | 0 | 0 | 0 | 113.7 | M74 K100 L102 N103 M109 | M74-L105 HydrophobicContact CE-CD1 3.08Å; K100-L105 HydrophobicContact CB-CD1 3.9Å; K100-L105 HydrophobicContact CD-CD1 3.74Å; K100-L105 HydrophobicContact CD-CD2 3.95Å; K100-L105 HydrophobicContact CD-CG 4.04Å; K100-L105 HydrophobicContact CG-CD1 4.45Å; L102-L105 PolarHBondContact O-N 3.16Å; N103-L105 VanDerWaalsContact C-N 3.31Å; N103-L105 PolarHBondContact O-N 3.42Å; L105-M109 HydrophobicContact CB-CB 4.09Å; L105-M109 HydrophobicContact CB-CG 3.57Å; L105-M109 WeakPolarHBondContact O-CB 3.41Å; L105-M109 WeakPolarHBondContact O-CG 3.26Å; L105-M109 PolarHBondContact O-N 3.27Å |
| 106 | F | 76.2 | Confident | 83.6 | Confident | 94 Ų | 94 | 84.8 Ų | 84.8 | 41% | 0.412 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 142.9 | 170.5 | -76.1 | -96.2 | 0 | 0 | 0 | 110.4 | L102 N103 L110 | L102-F106 VanDerWaalsContact C-CE2 3.42Å; L102-F106 HydrophobicContact CB-CE2 4.34Å; L102-F106 WeakPolarHBondContact O-CD2 3.45Å; L102-F106 WeakPolarHBondContact O-CE2 3.49Å; N103-F106 VanDerWaalsContact CA-CD2 3.44Å; N103-F106 WeakPolarHBondContact O-CD2 3.43Å; F106-L110 HydrophobicContact CD1-CB 3.96Å; F106-L110 HydrophobicContact CD1-CD2 4.24Å; F106-L110 HydrophobicContact CD1-CG 4.47Å; F106-L110 HydrophobicContact CE1-CB 3.85Å; F106-L110 HydrophobicContact CE1-CD1 3.66Å; F106-L110 HydrophobicContact CE1-CD2 3.95Å; F106-L110 HydrophobicContact CE1-CG 4.01Å; F106-L110 HydrophobicContact CZ-CD1 4.32Å |
| 107 | P | 74.5 | Confident | 83.3 | Confident | 98 Ų | 98 | 83.3 Ų | 83.3 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -97.8 | -21.2 | 12.8 | 33.7 | -33.5 | 0 | 0 | 0 | 115.8 | M109 L110 | P107-M109 VanDerWaalsContact C-N 3.27Å; P107-M109 PolarHBondContact O-N 3.2Å; P107-M109 VanDerWaalsContact O-N 3.17Å; P107-L110 WeakPolarHBondContact O-CB 3.49Å; P107-L110 PolarHBondContact O-N 3.43Å; P107-L110 VanDerWaalsContact O-N 3.16Å |
| 108 | N | 75.7 | Confident | 83 | Confident | 137 Ų | 137 | 86 Ų | 86 | 73% | 0.733 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.4 | -29.4 | -167.5 | -66.8 | -14.2 | 0 | 0 | 0 | 113.9 | ||
| 109 | M | 78.2 | Confident | 82.8 | Confident | 22 Ų | 22 | 90.4 Ų | 90.4 | 11% | 0.108 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -79.8 | -14 | -178.7 | -67.4 | -56.9 | -72.6 | 0 | 0 | 114.6 | N66 M74 L105 P107 Q112 W113 | N66-M109 HydrophobicContact CB-CE 4.19Å; N66-M109 WeakPolarHBondContact ND2-CE 3.46Å; M74-M109 HydrophobicContact CE-CE 3.7Å; M74-M109 HydrophobicContact SD-CE 3.75Å; L105-M109 HydrophobicContact CB-CB 4.09Å; L105-M109 HydrophobicContact CB-CG 3.57Å; L105-M109 WeakPolarHBondContact O-CB 3.41Å; L105-M109 WeakPolarHBondContact O-CG 3.26Å; L105-M109 PolarHBondContact O-N 3.27Å; P107-M109 VanDerWaalsContact C-N 3.27Å; P107-M109 PolarHBondContact O-N 3.2Å; P107-M109 VanDerWaalsContact O-N 3.17Å; M109-Q112 PolarHBondContact O-N 2.69Å; M109-W113 WeakPolarHBondContact O-CB 3.16Å; M109-W113 PolarHBondContact O-N 3.41Å |
| 110 | L | 79.1 | Confident | 82.4 | Confident | 51 Ų | 51 | 88 Ų | 88 | 27% | 0.267 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | -177.6 | -180 | 53.4 | 0 | 0 | 0 | 111.4 | F106 P107 Q112 W113 E114 | F106-L110 HydrophobicContact CD1-CB 3.96Å; F106-L110 HydrophobicContact CD1-CD2 4.24Å; F106-L110 HydrophobicContact CD1-CG 4.47Å; F106-L110 HydrophobicContact CE1-CB 3.85Å; F106-L110 HydrophobicContact CE1-CD1 3.66Å; F106-L110 HydrophobicContact CE1-CD2 3.95Å; F106-L110 HydrophobicContact CE1-CG 4.01Å; F106-L110 HydrophobicContact CZ-CD1 4.32Å; P107-L110 WeakPolarHBondContact O-CB 3.49Å; P107-L110 PolarHBondContact O-N 3.43Å; P107-L110 VanDerWaalsContact O-N 3.16Å; L110-Q112 VanDerWaalsContact C-N 3.31Å; L110-Q112 PolarHBondContact O-N 2.85Å; L110-W113 HydrophobicContact CD1-CE3 3.89Å; L110-W113 HydrophobicContact CD1-CZ3 4.33Å; L110-W113 PolarHBondContact O-N 2.82Å; L110-W113 VanDerWaalsContact O-N 3.13Å; L110-E114 HydrophobicContact CD1-CG 4.06Å; L110-E114 WeakPolarHBondContact CD1-OE1 3.46Å; L110-E114 WeakPolarHBondContact O-CG 3.41Å; L110-E114 PolarHBondContact O-N 3.04Å |
| 111 | N | 85.2 | Confident | 82.3 | Confident | 113 Ų | 113 | 87.5 Ų | 87.5 | 60% | 0.604 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62 | -40.1 | 179.5 | -66.2 | -7.5 | 0 | 0 | 0 | 111.7 | T115 | N111-T115 VanDerWaalsContact O-CG2 3.3Å; N111-T115 WeakPolarHBondContact O-CG2 3.09Å; N111-T115 PolarHBondContact O-N 3.12Å; N111-T115 VanDerWaalsContact O-N 3.15Å; N111-T115 PolarHBondContact O-OG1 3.17Å |
| 112 | Q | 86.9 | Confident | 82.3 | Confident | 76 Ų | 76 | 89.5 Ų | 89.5 | 36% | 0.355 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 175.7 | -66.3 | -171.1 | 0.9 | 0 | 0 | 111.5 | E64 N66 M109 L110 T115 A116 | E64-Q112 PolarHBondContact OE1-NE2 3.03Å; E64-Q112 PolarHBondContact OE1-OE1 3.29Å; N66-Q112 PolarHBondContact ND2-OE1 2.85Å; N66-Q112 VanDerWaalsContact ND2-OE1 3.15Å; M109-Q112 PolarHBondContact O-N 2.69Å; L110-Q112 VanDerWaalsContact C-N 3.31Å; L110-Q112 PolarHBondContact O-N 2.85Å; Q112-T115 WeakPolarHBondContact CA-OG1 3.43Å; Q112-T115 PolarHBondContact O-OG1 3.37Å; Q112-A116 VanDerWaalsContact O-CB 3.29Å; Q112-A116 WeakPolarHBondContact O-CB 3.37Å; Q112-A116 PolarHBondContact O-N 3.43Å |
| 113 | W | 84.2 | Confident | 82.5 | Confident | 85 Ų | 85 | 93.3 Ų | 93.3 | 32% | 0.322 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67 | -42.9 | 179.3 | 179.6 | 67.3 | 0 | 0 | 0 | 112.6 | Y68 L102 M109 L110 A116 K117 | Y68-W113 AromaticContact CD1-CD1 3.48Å; Y68-W113 VanDerWaalsContact CD1-CD1 3.48Å; Y68-W113 HydrophobicContact CD1-CG 4.45Å; Y68-W113 HydrophobicContact CE1-CB 4.01Å; Y68-W113 AromaticContact CE1-CD1 3.54Å; Y68-W113 HydrophobicContact CE1-CG 4.13Å; Y68-W113 AromaticContact CG-CD1 3.82Å; Y68-W113 AromaticContact CZ-CD1 3.99Å; Y68-W113 PolarHBondContact OH-N 3.43Å; L102-W113 HydrophobicContact CD1-CZ2 4.43Å; M109-W113 WeakPolarHBondContact O-CB 3.16Å; M109-W113 PolarHBondContact O-N 3.41Å; L110-W113 HydrophobicContact CD1-CE3 3.89Å; L110-W113 HydrophobicContact CD1-CZ3 4.33Å; L110-W113 PolarHBondContact O-N 2.82Å; L110-W113 VanDerWaalsContact O-N 3.13Å; W113-A116 PolarHBondContact O-N 3.21Å; W113-K117 PolarHBondContact O-N 3.15Å |
| 114 | E | 85.3 | Confident | 82.7 | Confident | 102 Ų | 102 | 91.3 Ų | 91.3 | 48% | 0.477 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 176.3 | -73.5 | 177 | -177.9 | 0 | 0 | 111.7 | L110 A116 K117 L118 | L110-E114 HydrophobicContact CD1-CG 4.06Å; L110-E114 WeakPolarHBondContact CD1-OE1 3.46Å; L110-E114 WeakPolarHBondContact O-CG 3.41Å; L110-E114 PolarHBondContact O-N 3.04Å; E114-A116 VanDerWaalsContact C-N 3.32Å; E114-A116 PolarHBondContact O-N 3.23Å; E114-K117 PolarHBondContact O-N 3.28Å; E114-L118 PolarHBondContact O-N 2.97Å |
| 115 | T | 88.2 | Confident | 82.8 | Confident | 67 Ų | 67 | 92 Ų | 92 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.3 | -36 | 176 | 56 | 0 | 0 | 0 | 0 | 112.1 | N111 Q112 L118 R119 | N111-T115 VanDerWaalsContact O-CG2 3.3Å; N111-T115 WeakPolarHBondContact O-CG2 3.09Å; N111-T115 PolarHBondContact O-N 3.12Å; N111-T115 VanDerWaalsContact O-N 3.15Å; N111-T115 PolarHBondContact O-OG1 3.17Å; Q112-T115 WeakPolarHBondContact CA-OG1 3.43Å; Q112-T115 PolarHBondContact O-OG1 3.37Å; T115-L118 PolarHBondContact O-N 3.25Å; T115-R119 WeakPolarHBondContact O-CG 3.45Å; T115-R119 PolarHBondContact O-N 2.92Å |
| 116 | A | 86.1 | Confident | 82.9 | Confident | 26 Ų | 26 | 95.2 Ų | 95.2 | 22% | 0.215 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y68 Q112 W113 E114 L118 R119 L120 | Y68-A116 HydrophobicContact CD2-CB 3.98Å; Y68-A116 HydrophobicContact CE2-CB 3.69Å; Q112-A116 VanDerWaalsContact O-CB 3.29Å; Q112-A116 WeakPolarHBondContact O-CB 3.37Å; Q112-A116 PolarHBondContact O-N 3.43Å; W113-A116 PolarHBondContact O-N 3.21Å; E114-A116 VanDerWaalsContact C-N 3.32Å; E114-A116 PolarHBondContact O-N 3.23Å; A116-L118 VanDerWaalsContact C-N 3.31Å; A116-L118 PolarHBondContact O-N 3.06Å; A116-R119 PolarHBondContact O-N 3.42Å; A116-L120 PolarHBondContact O-N 2.97Å |
| 117 | K | 86.5 | Confident | 82.4 | Confident | 136 Ų | 136 | 94 Ų | 94 | 59% | 0.591 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60 | -42.1 | 176.1 | -173.2 | 179.4 | 179.3 | -177.8 | 0 | 111.4 | W113 E114 L120 A121 | W113-K117 PolarHBondContact O-N 3.15Å; E114-K117 PolarHBondContact O-N 3.28Å; K117-L120 PolarHBondContact O-N 3.28Å; K117-A121 PolarHBondContact O-N 3.13Å |
| 118 | L | 88.5 | Confident | 81.9 | Confident | 101 Ų | 101 | 96 Ų | 96 | 53% | 0.529 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 176.7 | -175.5 | 61.7 | 0 | 0 | 0 | 112.3 | E114 T115 A116 L120 A121 K122 | E114-L118 PolarHBondContact O-N 2.97Å; T115-L118 PolarHBondContact O-N 3.25Å; A116-L118 VanDerWaalsContact C-N 3.31Å; A116-L118 PolarHBondContact O-N 3.06Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L118-A121 PolarHBondContact O-N 3.16Å; L118-K122 WeakPolarHBondContact O-CG 3.35Å; L118-K122 PolarHBondContact O-N 3.47Å; L118-K122 VanDerWaalsContact O-N 3.15Å |
| 119 | R | 86.7 | Confident | 80.9 | Confident | 171 Ų | 171 | 94.2 Ų | 94.2 | 65% | 0.645 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.5 | -41.5 | 175 | -74.3 | 176.2 | -171.8 | 151.6 | 3.3 | 111.8 | T115 A116 K122 M123 | T115-R119 WeakPolarHBondContact O-CG 3.45Å; T115-R119 PolarHBondContact O-N 2.92Å; A116-R119 PolarHBondContact O-N 3.42Å; R119-K122 PolarHBondContact O-N 3.18Å; R119-M123 PolarHBondContact O-N 2.68Å |
| 120 | L | 85.1 | Confident | 79.7 | Confident | 115 Ų | 115 | 96.9 Ų | 96.9 | 60% | 0.602 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.5 | -42.4 | 177.7 | -176.5 | 62.8 | 0 | 0 | 0 | 112 | A116 K117 L118 K122 M123 N124 | A116-L120 PolarHBondContact O-N 2.97Å; K117-L120 PolarHBondContact O-N 3.28Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L120-K122 PolarHBondContact O-N 3.38Å; L120-M123 HydrophobicContact CD1-CE 4.48Å; L120-M123 PolarHBondContact O-N 3.31Å; L120-N124 PolarHBondContact O-N 3.22Å |
| 121 | A | 86.8 | Confident | 78.2 | Confident | 45 Ų | 45 | 101.2 Ų | 101.2 | 37% | 0.372 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.5 | -47.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K117 L118 M123 N124 E125 | K117-A121 PolarHBondContact O-N 3.13Å; L118-A121 PolarHBondContact O-N 3.16Å; A121-M123 PolarHBondContact O-N 3.44Å; A121-N124 PolarHBondContact O-N 3.37Å; A121-E125 WeakPolarHBondContact O-CG 3.39Å; A121-E125 PolarHBondContact O-N 2.97Å |
| 122 | K | 88.2 | Confident | 76.2 | Confident | 118 Ų | 118 | 100.4 Ų | 100.4 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 176.9 | -68.8 | 179.6 | -179.7 | -172.8 | 0 | 112.5 | L118 R119 L120 N124 E125 N126 | L118-K122 WeakPolarHBondContact O-CG 3.35Å; L118-K122 PolarHBondContact O-N 3.47Å; L118-K122 VanDerWaalsContact O-N 3.15Å; R119-K122 PolarHBondContact O-N 3.18Å; L120-K122 PolarHBondContact O-N 3.38Å; K122-N124 VanDerWaalsContact C-N 3.29Å; K122-N124 PolarHBondContact O-N 2.89Å; K122-E125 PolarHBondContact O-N 3.45Å; K122-N126 PolarHBondContact O-N 3.29Å; K122-N126 PolarHBondContact O-OD1 3.2Å |
| 123 | M | 81.7 | Confident | 74 | Confident | 114 Ų | 114 | 105.8 Ų | 105.8 | 56% | 0.562 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.9 | -39.7 | 177 | -77.6 | -173.1 | -72.3 | 0 | 0 | 112.3 | R119 L120 A121 N126 S127 | R119-M123 PolarHBondContact O-N 2.68Å; L120-M123 HydrophobicContact CD1-CE 4.48Å; L120-M123 PolarHBondContact O-N 3.31Å; A121-M123 PolarHBondContact O-N 3.44Å; M123-N126 PolarHBondContact O-N 3.15Å; M123-S127 PolarHBondContact O-N 3.21Å; M123-S127 VanDerWaalsContact O-N 3.09Å; M123-S127 PolarHBondContact O-OG 3.11Å |
| 124 | N | 83 | Confident | 72 | Confident | 91 Ų | 91 | 106.1 Ų | 106.1 | 49% | 0.487 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.2 | -34.3 | 179.5 | -162.3 | 19.2 | 0 | 0 | 0 | 112.7 | L120 A121 K122 S127 K128 | L120-N124 PolarHBondContact O-N 3.22Å; A121-N124 PolarHBondContact O-N 3.37Å; K122-N124 VanDerWaalsContact C-N 3.29Å; K122-N124 PolarHBondContact O-N 2.89Å; N124-S127 PolarHBondContact O-N 3.4Å; N124-K128 WeakPolarHBondContact O-CG 3.21Å; N124-K128 PolarHBondContact O-N 3Å |
| 125 | E | 82.9 | Confident | 70 | Confident | 129 Ų | 129 | 108.5 Ų | 108.5 | 60% | 0.603 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.6 | -43.2 | 172.6 | -72.3 | 173.1 | 176.5 | 0 | 0 | 111.5 | A121 K122 S127 K128 T129 | A121-E125 WeakPolarHBondContact O-CG 3.39Å; A121-E125 PolarHBondContact O-N 2.97Å; K122-E125 PolarHBondContact O-N 3.45Å; E125-S127 VanDerWaalsContact C-N 3.35Å; E125-S127 PolarHBondContact O-N 3.42Å; E125-K128 PolarHBondContact O-N 3.1Å; E125-T129 PolarHBondContact O-N 3.39Å |
| 126 | N | 71.2 | Confident | 68.1 | Low | 108 Ų | 108 | 112.9 Ų | 112.9 | 58% | 0.578 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.6 | -37.1 | 175.8 | -80.3 | 88.2 | 0 | 0 | 0 | 113.1 | K122 M123 K128 T129 S130 | K122-N126 PolarHBondContact O-N 3.29Å; K122-N126 PolarHBondContact O-OD1 3.2Å; M123-N126 PolarHBondContact O-N 3.15Å; N126-K128 VanDerWaalsContact C-N 3.34Å; N126-T129 PolarHBondContact O-N 3.1Å; N126-T129 PolarHBondContact O-OG1 3.27Å; N126-S130 PolarHBondContact O-N 3.49Å; N126-S130 PolarHBondContact O-OG 3.38Å |
| 127 | S | 66.8 | Low | 65.9 | Low | 69 Ų | 69 | 114.5 Ų | 114.5 | 48% | 0.483 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.2 | -34.3 | 176.7 | -59 | 0 | 0 | 0 | 0 | 112.7 | M123 N124 E125 T129 S130 D131 | M123-S127 PolarHBondContact O-N 3.21Å; M123-S127 VanDerWaalsContact O-N 3.09Å; M123-S127 PolarHBondContact O-OG 3.11Å; N124-S127 PolarHBondContact O-N 3.4Å; E125-S127 VanDerWaalsContact C-N 3.35Å; E125-S127 PolarHBondContact O-N 3.42Å; S127-T129 VanDerWaalsContact C-N 3.34Å; S127-T129 PolarHBondContact O-N 3.43Å; S127-S130 PolarHBondContact O-N 2.96Å; S127-S130 PolarHBondContact O-OG 2.92Å; S127-D131 PolarHBondContact O-N 3.13Å |
| 128 | K | 62.9 | Low | 64.3 | Low | 141 Ų | 141 | 115.6 Ų | 115.6 | 61% | 0.613 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.1 | -29.9 | 178.6 | -71.1 | -179.8 | -177.9 | -174.7 | 0 | 112.9 | N124 E125 N126 S132 | N124-K128 WeakPolarHBondContact O-CG 3.21Å; N124-K128 PolarHBondContact O-N 3Å; E125-K128 PolarHBondContact O-N 3.1Å; N126-K128 VanDerWaalsContact C-N 3.34Å; K128-S132 PolarHBondContact O-OG 3.32Å; K128-S132 VanDerWaalsContact O-OG 3.05Å |
| 129 | T | 55.3 | Low | 63 | Low | 99 Ų | 99 | 118.4 Ų | 118.4 | 61% | 0.607 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -79 | -27.4 | 177.6 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | E125 N126 S127 | E125-T129 PolarHBondContact O-N 3.39Å; N126-T129 PolarHBondContact O-N 3.1Å; N126-T129 PolarHBondContact O-OG1 3.27Å; S127-T129 VanDerWaalsContact C-N 3.34Å; S127-T129 PolarHBondContact O-N 3.43Å |
| 130 | S | 53.8 | Low | 62.1 | Low | 78 Ų | 78 | 117.6 Ų | 117.6 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -77.2 | -29.8 | 173.6 | 50.3 | 0 | 0 | 0 | 0 | 113.8 | N126 S127 S132 K133 | N126-S130 PolarHBondContact O-N 3.49Å; N126-S130 PolarHBondContact O-OG 3.38Å; S127-S130 PolarHBondContact O-N 2.96Å; S127-S130 PolarHBondContact O-OG 2.92Å; S130-S132 PolarHBondContact O-N 3.29Å; S130-K133 PolarHBondContact O-N 3.1Å |
| 131 | D | 47.2 | Very low | 61.3 | Low | 141 Ų | 141 | 117.3 Ų | 117.3 | 75% | 0.754 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -11.1 | 176.1 | -116.8 | 5.2 | 0 | 0 | 0 | 113.1 | S127 K133 | S127-D131 PolarHBondContact O-N 3.13Å; D131-K133 VanDerWaalsContact C-N 3.3Å |
| 132 | S | 44 | Very low | 60.2 | Low | 97 Ų | 97 | 120.2 Ų | 120.2 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 6.5 | 175.5 | -49.9 | 0 | 0 | 0 | 0 | 113.2 | K128 S130 | K128-S132 PolarHBondContact O-OG 3.32Å; K128-S132 VanDerWaalsContact O-OG 3.05Å; S130-S132 PolarHBondContact O-N 3.29Å |
| 133 | K | 39.4 | Very low | 59.5 | Low | 188 Ų | 188 | 123.1 Ų | 123.1 | 82% | 0.817 | 69% | 0.69 | S | S | * | * | trans | -126.4 | 46.6 | 176 | -85 | -160.9 | 174.8 | -171.3 | 0 | 111.8 | S130 D131 | S130-K133 PolarHBondContact O-N 3.1Å; D131-K133 VanDerWaalsContact C-N 3.3Å | ||
| 134 | A | 42.5 | Very low | 58.7 | Low | 93 Ų | 93 | 125.8 Ų | 125.8 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | trans | -122.3 | 36.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 135 | D | 43 | Very low | 57.7 | Low | 151 Ų | 151 | 127 Ų | 127 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -104.7 | 129.8 | 155.3 | -170.9 | 32.1 | 0 | 0 | 0 | 105.5 | ||
| 136 | D | 47.8 | Very low | 56.7 | Low | 160 Ų | 160 | 128.8 Ų | 128.8 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 88.1 | 75 | -175.3 | -146.2 | 43 | 0 | 0 | 0 | 116.7 | ||
| 137 | G | 40.1 | Very low | 56.4 | Low | 59 Ų | 59 | 129.9 Ų | 129.9 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | -175.3 | -4.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | D139 | G137-D139 PolarHBondContact O-N 2.99Š| ||
| 138 | D | 52.7 | Low | 56.5 | Low | 159 Ų | 159 | 135.2 Ų | 135.2 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 10.5 | 173.2 | -102.2 | -16.1 | 0 | 0 | 0 | 113.8 | ||
| 139 | D | 61 | Low | 56.9 | Low | 160 Ų | 160 | 133.9 Ų | 133.9 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -5.2 | -178.7 | -122.3 | 4.8 | 0 | 0 | 0 | 113.9 | G137 | G137-D139 PolarHBondContact O-N 2.99Š|
| 140 | D | 68.2 | Low | 57.4 | Low | 155 Ų | 155 | 136.7 Ų | 136.7 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -103.6 | 5.1 | -179.9 | -92.3 | -23.6 | 0 | 0 | 0 | 113.8 | P142 | D140-P142 VanDerWaalsContact O-CD 3.29Å; D140-P142 WeakPolarHBondContact O-CD 3.4Å |
| 141 | V | 68 | Low | 57.9 | Low | 108 Ų | 108 | 142.1 Ų | 142.1 | 66% | 0.655 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -87.4 | 110.3 | 168.7 | -178 | 0 | 0 | 0 | 0 | 107.7 | E143 | V141-E143 PolarHBondContact O-N 3.26Š|
| 142 | P | 65.1 | Low | 58.9 | Low | 107 Ų | 107 | 139.3 Ų | 139.3 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | trans | -60.9 | 135 | 175.6 | -17.7 | 31.3 | 0 | 0 | 0 | 109.5 | D140 L144 | D140-P142 VanDerWaalsContact O-CD 3.29Å; D140-P142 WeakPolarHBondContact O-CD 3.4Å; P142-L144 PolarHBondContact O-N 2.92Å | ||
| 143 | E | 73.2 | Confident | 60.3 | Low | 179 Ų | 179 | 144.4 Ų | 144.4 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -52.2 | 126.3 | 175.7 | -156.6 | 170.3 | -161.6 | 0 | 0 | 109 | V141 V145 | V141-E143 PolarHBondContact O-N 3.26Å; E143-V145 VanDerWaalsContact C-N 3.28Å; E143-V145 PolarHBondContact O-N 2.95Å | ||
| 144 | L | 63.9 | Low | 61.3 | Low | 169 Ų | 169 | 143.5 Ų | 143.5 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | trans | -66.7 | 91.1 | 179 | -68.5 | 171.2 | 0 | 0 | 0 | 107.9 | P142 E146 | P142-L144 PolarHBondContact O-N 2.92Å; L144-E146 PolarHBondContact O-N 3.45Å | ||
| 145 | V | 63.4 | Low | 61.7 | Low | 116 Ų | 116 | 150.8 Ų | 150.8 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | trans | -69.2 | 105.3 | 175.6 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | E143 | E143-V145 VanDerWaalsContact C-N 3.28Å; E143-V145 PolarHBondContact O-N 2.95Å | ||
| 146 | E | 61.7 | Low | 62.7 | Low | 167 Ų | 167 | 150.8 Ų | 150.8 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 64.2 | 127.5 | 164.9 | -62 | 177.9 | 179.3 | 0 | 0 | 117 | L144 F148 | L144-E146 PolarHBondContact O-N 3.45Å; E146-F148 PolarHBondContact O-N 2.98Å |
| 147 | D | 63.6 | Low | 63.5 | Low | 131 Ų | 131 | 150.3 Ų | 150.3 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | -57.5 | 107.6 | -175.6 | -67.8 | -48 | 0 | 0 | 0 | 112.2 | D149 E150 | D147-D149 PolarHBondContact O-N 3.17Å; D147-E150 PolarHBondContact O-N 3.18Å; D147-E150 VanDerWaalsContact O-N 3.12Å | ||
| 148 | F | 70.4 | Confident | 64.8 | Low | 182 Ų | 182 | 155.3 Ų | 155.3 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | H | α-helix | trans | -53.9 | -16.1 | 170.6 | -86 | -97.4 | 0 | 0 | 0 | 113.3 | E146 | E146-F148 PolarHBondContact O-N 2.98Å |
| 149 | D | 71 | Confident | 65.5 | Low | 112 Ų | 112 | 155.1 Ų | 155.1 | 60% | 0.599 | 78% | 0.781 | S | S | * | * | H | α-helix | trans | -72.3 | -26.5 | 178.8 | -79.1 | -8.1 | 0 | 0 | 0 | 113.7 | D147 S152 | D147-D149 PolarHBondContact O-N 3.17Å; D149-S152 PolarHBondContact O-OG 3.5Å |
| 150 | E | 65.5 | Low | 65.7 | Low | 159 Ų | 159 | 154.8 Ų | 154.8 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | H | α-helix | trans | -75.5 | -39 | 177.8 | -76.5 | -163.5 | 158.2 | 0 | 0 | 112.2 | D147 S152 R153 | D147-E150 PolarHBondContact O-N 3.18Å; D147-E150 VanDerWaalsContact O-N 3.12Å; E150-S152 VanDerWaalsContact C-N 3.28Å; E150-S152 PolarHBondContact O-N 3.33Å; E150-R153 PolarHBondContact O-N 3.13Å |
| 151 | K | 64.6 | Low | 65.6 | Low | 192 Ų | 192 | 154.8 Ų | 154.8 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | H | α-helix | trans | -71.2 | -23.2 | -176.6 | -136.2 | 162.5 | -167.4 | 157.3 | 0 | 113.3 | R153 | K151-R153 VanDerWaalsContact C-N 3.34Å |
| 152 | S | 68.9 | Low | 65.4 | Low | 81 Ų | 81 | 158.1 Ų | 158.1 | 57% | 0.566 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -9.3 | 176.8 | 68.4 | 0 | 0 | 0 | 0 | 114.3 | D149 E150 | D149-S152 PolarHBondContact O-OG 3.5Å; E150-S152 VanDerWaalsContact C-N 3.28Å; E150-S152 PolarHBondContact O-N 3.33Å |
| 153 | R | 71.7 | Confident | 65.4 | Low | 205 Ų | 205 | 162.1 Ų | 162.1 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -3.8 | -178.4 | -67.9 | -174.2 | -170.8 | -170.3 | 6.4 | 114.7 | E150 K151 | E150-R153 PolarHBondContact O-N 3.13Å; K151-R153 VanDerWaalsContact C-N 3.34Å |
| 154 | L | 60.3 | Low | 64.8 | Low | 168 Ų | 168 | 160.7 Ų | 160.7 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | -110.7 | 11 | -175.7 | -138.8 | 89 | 0 | 0 | 0 | 115.4 | ||||
| 155 | E | 52.6 | Low | 64.9 | Low | 246 Ų | 246 | 159.9 Ų | 159.9 | 100% | 1.15 | 78% | 0.775 | S | S | * | * | trans | -124.1 | 0 | 169.5 | -162.6 | 173.1 | -170 | 0 | 0 | 110.2 |
Retrieved 155 of 155 residues in 52.2 ms
(Link to these results)