| 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 | 51.5 | Low | 55.3 | Low | 231 Ų | 231 | 134.4 Ų | 134.4 | 100% | 1.138 | 67% | 0.673 | S | S | * | * | 0 | 36.8 | 0 | -146.8 | 165.7 | 93.2 | 0 | 0 | 112.5 | |||||
| 2 | Y | 54 | Low | 54.9 | Low | 185 Ų | 185 | 133.3 Ų | 133.3 | 73% | 0.725 | 67% | 0.67 | S | S | * | * | trans | -118.5 | -12 | -170.9 | -134.2 | -93.4 | 0 | 0 | 0 | 114.4 | ||||
| 3 | R | 54.2 | Low | 54.8 | Low | 228 Ų | 228 | 128.4 Ų | 128.4 | 86% | 0.86 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -83.5 | -22 | -177.8 | -72.7 | -157.8 | 175.2 | -158.4 | 0.6 | 114.5 | ||
| 4 | M | 57.9 | Low | 54.4 | Low | 162 Ų | 162 | 127.4 Ų | 127.4 | 80% | 0.798 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77.4 | -27.5 | 179.7 | -73.3 | -71.9 | -132.8 | 0 | 0 | 113.2 | ||
| 5 | Q | 54.4 | Low | 54.2 | Low | 122 Ų | 122 | 123.1 Ų | 123.1 | 57% | 0.57 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -77.5 | -26.6 | -177.4 | -73.7 | 175.7 | -31.8 | 0 | 0 | 113.5 | L7 S8 | Q5-L7 VanDerWaalsContact C-N 3.34Å; Q5-S8 PolarHBondContact O-OG 2.95Å |
| 6 | L | 55.2 | Low | 53.9 | Low | 114 Ų | 114 | 123.7 Ų | 123.7 | 60% | 0.597 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.8 | -33.3 | 177.1 | -95.6 | 149.5 | 0 | 0 | 0 | 112.4 | ||
| 7 | L | 53.7 | Low | 53.6 | Low | 122 Ų | 122 | 123.2 Ų | 123.2 | 64% | 0.639 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.5 | -32.7 | 179.8 | -72.7 | 165.5 | 0 | 0 | 0 | 112.6 | Q5 C9 I10 A11 | Q5-L7 VanDerWaalsContact C-N 3.34Å; L7-C9 PolarHBondContact O-N 3.44Å; L7-I10 PolarHBondContact O-N 3.32Å; L7-A11 PolarHBondContact O-N 3.49Å |
| 8 | S | 57.7 | Low | 53.3 | Low | 62 Ų | 62 | 122.5 Ų | 122.5 | 43% | 0.434 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68.9 | -32.3 | 177.6 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | Q5 A11 L12 | Q5-S8 PolarHBondContact O-OG 2.95Å; S8-A11 PolarHBondContact O-N 2.76Å; S8-L12 PolarHBondContact O-N 3.3Å |
| 9 | C | 57.8 | Low | 52.9 | Low | 87 Ų | 87 | 123.4 Ų | 123.4 | 59% | 0.588 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.4 | -32.1 | 177.6 | -81.9 | 0 | 0 | 0 | 0 | 113 | L7 S13 | L7-C9 PolarHBondContact O-N 3.44Å; C9-S13 PolarHBondContact O-N 3.24Å; C9-S13 PolarHBondContact O-OG 3.47Å |
| 10 | I | 56.4 | Low | 52.5 | Low | 99 Ų | 99 | 122.1 Ų | 122.1 | 51% | 0.508 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -72.4 | -37.2 | 176.9 | -60.1 | 171.6 | 0 | 0 | 0 | 110.4 | L7 S13 L14 | L7-I10 PolarHBondContact O-N 3.32Å; I10-S13 PolarHBondContact O-N 3.2Å; I10-S13 PolarHBondContact O-OG 3.21Å; I10-L14 HydrophobicContact CG2-CD1 4.03Å; I10-L14 WeakPolarHBondContact O-CD1 3.45Å; I10-L14 PolarHBondContact O-N 3.48Å |
| 11 | A | 55.2 | Low | 52.2 | Low | 66 Ų | 66 | 119.9 Ų | 119.9 | 55% | 0.545 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -65.9 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L7 S8 A15 | L7-A11 PolarHBondContact O-N 3.49Å; S8-A11 PolarHBondContact O-N 2.76Å; A11-A15 PolarHBondContact O-N 3.3Å |
| 12 | L | 51 | Low | 52.1 | Low | 122 Ų | 122 | 113.6 Ų | 113.6 | 64% | 0.639 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.2 | -29.3 | 179.8 | -92.6 | 153.6 | 0 | 0 | 0 | 113.5 | S8 | S8-L12 PolarHBondContact O-N 3.3Å |
| 13 | S | 52.7 | Low | 52.1 | Low | 69 Ų | 69 | 108.8 Ų | 108.8 | 48% | 0.483 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -78.6 | -30.1 | 176.3 | 38.6 | 0 | 0 | 0 | 0 | 112.6 | C9 I10 | C9-S13 PolarHBondContact O-N 3.24Å; C9-S13 PolarHBondContact O-OG 3.47Å; I10-S13 PolarHBondContact O-N 3.2Å; I10-S13 PolarHBondContact O-OG 3.21Å |
| 14 | L | 50.2 | Low | 52.7 | Low | 114 Ų | 114 | 102.3 Ų | 102.3 | 60% | 0.597 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.5 | -35.1 | 173.2 | -99.5 | 87.6 | 0 | 0 | 0 | 113.3 | I10 L16 V17 | I10-L14 HydrophobicContact CG2-CD1 4.03Å; I10-L14 WeakPolarHBondContact O-CD1 3.45Å; I10-L14 PolarHBondContact O-N 3.48Å; L14-L16 VanDerWaalsContact C-N 3.29Å; L14-L16 PolarHBondContact O-N 3.2Å; L14-V17 PolarHBondContact O-N 3.33Å |
| 15 | A | 50.5 | Low | 53.1 | Low | 64 Ų | 64 | 98.4 Ų | 98.4 | 53% | 0.529 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.7 | -25.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | A11 | A11-A15 PolarHBondContact O-N 3.3Å |
| 16 | L | 49.3 | Very low | 54.4 | Low | 132 Ų | 132 | 94.4 Ų | 94.4 | 69% | 0.691 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -78.5 | -20.1 | 175.9 | -97.9 | 112.4 | 0 | 0 | 0 | 113.5 | L14 | L14-L16 VanDerWaalsContact C-N 3.29Å; L14-L16 PolarHBondContact O-N 3.2Å |
| 17 | V | 49.9 | Very low | 56 | Low | 116 Ų | 116 | 90.9 Ų | 90.9 | 70% | 0.703 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -84.7 | -29.6 | -175.3 | -180 | 0 | 0 | 0 | 0 | 112 | L14 | L14-V17 PolarHBondContact O-N 3.33Å |
| 18 | T | 48.5 | Very low | 57.8 | Low | 110 Ų | 110 | 91.7 Ų | 91.7 | 68% | 0.675 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -91.1 | -12 | -171.4 | 63.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 19 | N | 45.2 | Very low | 59.5 | Low | 139 Ų | 139 | 93.9 Ų | 93.9 | 74% | 0.743 | 57% | 0.569 | S | S | * | * | trans | -116.6 | 15.1 | -173.6 | -89.5 | 21.2 | 0 | 0 | 0 | 115.1 | A21 | N19-A21 PolarHBondContact O-N 3.18Š| ||
| 20 | S | 44.7 | Very low | 61.2 | Low | 98 Ų | 98 | 91.3 Ų | 91.3 | 69% | 0.685 | 55% | 0.551 | S | S | * | * | trans | -74.9 | 79.4 | 166.3 | -64.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 21 | A | 45.4 | Very low | 63.1 | Low | 75 Ų | 75 | 88.9 Ų | 88.9 | 62% | 0.62 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -47.6 | 132.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107 | N19 T23 | N19-A21 PolarHBondContact O-N 3.18Å; A21-T23 PolarHBondContact O-N 2.85Å |
| 22 | P | 49.8 | Very low | 65 | Low | 99 Ų | 99 | 90.2 Ų | 90.2 | 64% | 0.643 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -49 | 116.4 | 179.4 | -25.7 | 32.6 | 0 | 0 | 0 | 108.9 | S26 | P22-S26 VanDerWaalsContact CA-OG 3.3Å; P22-S26 WeakPolarHBondContact CA-OG 3.43Å; P22-S26 VanDerWaalsContact CB-OG 3.32Å; P22-S26 WeakPolarHBondContact CB-OG 3.48Å |
| 23 | T | 54.7 | Low | 67.2 | Low | 84 Ų | 84 | 85.5 Ų | 85.5 | 52% | 0.515 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 150.3 | 176.5 | 50.5 | 0 | 0 | 0 | 0 | 107.8 | A21 S25 S26 T27 | A21-T23 PolarHBondContact O-N 2.85Å; T23-S25 PolarHBondContact O-N 3.01Å; T23-S25 PolarHBondContact OG1-OG 3.45Å; T23-S26 PolarHBondContact N-OG 2.75Å; T23-S26 VanDerWaalsContact N-OG 3.1Å; T23-S26 WeakPolarHBondContact O-CA 3.3Å; T23-S26 PolarHBondContact O-N 3.46Å; T23-S26 PolarHBondContact O-OG 3.12Å; T23-T27 PolarHBondContact O-N 2.79Å; T23-T27 VanDerWaalsContact O-N 3.14Å |
| 24 | S | 66.1 | Low | 69.4 | Low | 93 Ų | 93 | 82.2 Ų | 82.2 | 65% | 0.65 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -53 | -27.7 | 177.3 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | K28 | S24-K28 WeakPolarHBondContact O-CG 3.32Å; S24-K28 PolarHBondContact O-N 2.98Å; S24-K28 VanDerWaalsContact O-N 3.15Å |
| 25 | S | 66.7 | Low | 71.7 | Confident | 79 Ų | 79 | 80 Ų | 80 | 55% | 0.552 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.9 | -40.8 | 170.8 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | T23 K29 | T23-S25 PolarHBondContact O-N 3.01Å; T23-S25 PolarHBondContact OG1-OG 3.45Å; S25-K29 WeakPolarHBondContact O-CB 3.32Å; S25-K29 PolarHBondContact O-N 3.02Å; S25-K29 VanDerWaalsContact O-N 3.1Å |
| 26 | S | 82.1 | Confident | 73.9 | Confident | 38 Ų | 38 | 81.9 Ų | 81.9 | 27% | 0.266 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.9 | -41.7 | 177.6 | 66.4 | 0 | 0 | 0 | 0 | 110.8 | P22 T23 K28 K29 T30 | P22-S26 VanDerWaalsContact CA-OG 3.3Å; P22-S26 WeakPolarHBondContact CA-OG 3.43Å; P22-S26 VanDerWaalsContact CB-OG 3.32Å; P22-S26 WeakPolarHBondContact CB-OG 3.48Å; T23-S26 PolarHBondContact N-OG 2.75Å; T23-S26 VanDerWaalsContact N-OG 3.1Å; T23-S26 WeakPolarHBondContact O-CA 3.3Å; T23-S26 PolarHBondContact O-N 3.46Å; T23-S26 PolarHBondContact O-OG 3.12Å; S26-K28 PolarHBondContact O-N 3.24Å; S26-K29 WeakPolarHBondContact O-CB 3.11Å; S26-K29 PolarHBondContact O-N 2.95Å; S26-T30 PolarHBondContact O-N 3.1Å; S26-T30 PolarHBondContact O-OG1 3.5Å; S26-T30 VanDerWaalsContact O-OG1 3.06Å |
| 27 | T | 87.9 | Confident | 76.3 | Confident | 41 Ų | 41 | 75.6 Ų | 75.6 | 25% | 0.252 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.4 | -47.4 | 176.3 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | T23 K29 T30 Q31 L153 | T23-T27 PolarHBondContact O-N 2.79Å; T23-T27 VanDerWaalsContact O-N 3.14Å; T27-K29 VanDerWaalsContact C-N 3.33Å; T27-K29 PolarHBondContact O-N 2.96Å; T27-T30 PolarHBondContact O-N 3.07Å; T27-Q31 WeakPolarHBondContact O-CB 3.43Å; T27-Q31 PolarHBondContact O-N 3.04Å; T27-L153 HydrophobicContact CG2-CB 4.25Å; T27-L153 HydrophobicContact CG2-CD2 4.14Å |
| 28 | K | 92.1 | Very high | 78.6 | Confident | 138 Ų | 138 | 71.1 Ų | 71.1 | 60% | 0.6 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.3 | -40.7 | 176.4 | -74.5 | 179.9 | -179.8 | -173.8 | 0 | 112.5 | S24 S26 Q31 L32 | S24-K28 WeakPolarHBondContact O-CG 3.32Å; S24-K28 PolarHBondContact O-N 2.98Å; S24-K28 VanDerWaalsContact O-N 3.15Å; S26-K28 PolarHBondContact O-N 3.24Å; K28-Q31 PolarHBondContact O-N 3.43Å; K28-L32 WeakPolarHBondContact O-CG 3.32Å; K28-L32 PolarHBondContact O-N 3.23Å |
| 29 | K | 93.7 | Very high | 80.9 | Confident | 109 Ų | 109 | 70.6 Ų | 70.6 | 47% | 0.474 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 177.3 | -176.3 | -179 | 175.8 | -168.9 | 0 | 111.4 | S25 S26 T27 Q31 L32 Q33 E116 | S25-K29 WeakPolarHBondContact O-CB 3.32Å; S25-K29 PolarHBondContact O-N 3.02Å; S25-K29 VanDerWaalsContact O-N 3.1Å; S26-K29 WeakPolarHBondContact O-CB 3.11Å; S26-K29 PolarHBondContact O-N 2.95Å; T27-K29 VanDerWaalsContact C-N 3.33Å; T27-K29 PolarHBondContact O-N 2.96Å; K29-Q31 VanDerWaalsContact C-N 3.31Å; K29-Q31 PolarHBondContact O-N 2.78Å; K29-L32 PolarHBondContact O-N 3.28Å; K29-Q33 WeakPolarHBondContact O-CG 3.5Å; K29-Q33 PolarHBondContact O-N 3.26Å; K29-E116 WeakPolarHBondContact CE-OE1 3.47Å; K29-E116 IonicContact NZ-OE1 2.61Å; K29-E116 PolarHBondContact NZ-OE1 3.19Å |
| 30 | T | 94 | Very high | 83.3 | Confident | 33 Ų | 33 | 65.2 Ų | 65.2 | 20% | 0.202 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 175.9 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | S26 T27 Q33 L34 L73 L117 L153 | S26-T30 PolarHBondContact O-N 3.1Å; S26-T30 PolarHBondContact O-OG1 3.5Å; S26-T30 VanDerWaalsContact O-OG1 3.06Å; T27-T30 PolarHBondContact O-N 3.07Å; T30-Q33 PolarHBondContact O-N 3.02Å; T30-L34 HydrophobicContact CG2-CD1 4.04Å; T30-L34 WeakPolarHBondContact O-CG 3.42Å; T30-L34 PolarHBondContact O-N 2.65Å; T30-L73 HydrophobicContact CG2-CD1 3.8Å; T30-L117 HydrophobicContact CG2-CD2 3.87Å; T30-L153 HydrophobicContact CG2-CD1 3.96Å |
| 31 | Q | 95.5 | Very high | 85.8 | Confident | 47 Ų | 47 | 60.5 Ų | 60.5 | 22% | 0.22 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60 | -50.9 | 175.9 | -179 | -178.1 | -12.7 | 0 | 0 | 111.7 | T27 K28 K29 Q33 L34 E35 L153 | T27-Q31 WeakPolarHBondContact O-CB 3.43Å; T27-Q31 PolarHBondContact O-N 3.04Å; K28-Q31 PolarHBondContact O-N 3.43Å; K29-Q31 VanDerWaalsContact C-N 3.31Å; K29-Q31 PolarHBondContact O-N 2.78Å; Q31-Q33 VanDerWaalsContact C-N 3.26Å; Q31-Q33 PolarHBondContact O-N 3.28Å; Q31-L34 PolarHBondContact O-N 3.24Å; Q31-L34 VanDerWaalsContact O-N 3.16Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.37Å; Q31-E35 PolarHBondContact NE2-OE1 3.11Å; Q31-E35 WeakPolarHBondContact O-CG 3.31Å; Q31-E35 PolarHBondContact O-N 2.93Å; Q31-L153 HydrophobicContact CB-CD1 4.25Å |
| 32 | L | 96.2 | Very high | 88.2 | Confident | 94 Ų | 94 | 60 Ų | 60 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.6 | -38.6 | 179 | -72.7 | 169.8 | 0 | 0 | 0 | 112.3 | K28 K29 E35 H36 | K28-L32 WeakPolarHBondContact O-CG 3.32Å; K28-L32 PolarHBondContact O-N 3.23Å; K29-L32 PolarHBondContact O-N 3.28Å; L32-E35 PolarHBondContact O-N 2.79Å; L32-H36 PolarHBondContact O-N 2.62Å |
| 33 | Q | 97.2 | Very high | 90.3 | Very high | 23 Ų | 23 | 60.1 Ų | 60.1 | 11% | 0.107 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 176.8 | -77.6 | 167.2 | -20.4 | 0 | 0 | 112.7 | K29 T30 Q31 E35 H36 L37 I113 E116 L117 | K29-Q33 WeakPolarHBondContact O-CG 3.5Å; K29-Q33 PolarHBondContact O-N 3.26Å; T30-Q33 PolarHBondContact O-N 3.02Å; Q31-Q33 VanDerWaalsContact C-N 3.26Å; Q31-Q33 PolarHBondContact O-N 3.28Å; Q33-E35 VanDerWaalsContact C-N 3.32Å; Q33-H36 PolarHBondContact O-N 2.04Å; Q33-L37 WeakPolarHBondContact O-CB 3.33Å; Q33-L37 PolarHBondContact O-N 3.49Å; Q33-I113 HydrophobicContact CB-CG2 4.17Å; Q33-I113 WeakPolarHBondContact O-CG2 3.32Å; Q33-E116 PolarHBondContact NE2-OE1 3.08Å; Q33-E116 PolarHBondContact NE2-OE2 2.96Å; Q33-L117 HydrophobicContact CB-CD1 4.25Å; Q33-L117 HydrophobicContact CB-CD2 3.7Å; Q33-L117 HydrophobicContact CB-CG 4Å |
| 34 | L | 97.6 | Very high | 92 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 173.7 | -75.9 | 162.4 | 0 | 0 | 0 | 112 | T30 Q31 L37 L38 L73 L117 I149 I150 L153 | T30-L34 HydrophobicContact CG2-CD1 4.04Å; T30-L34 WeakPolarHBondContact O-CG 3.42Å; T30-L34 PolarHBondContact O-N 2.65Å; Q31-L34 PolarHBondContact O-N 3.24Å; Q31-L34 VanDerWaalsContact O-N 3.16Å; L34-L37 PolarHBondContact O-N 3.32Å; L34-L38 VanDerWaalsContact O-CB 3.23Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 PolarHBondContact O-N 2.95Å; L34-L73 HydrophobicContact CD1-CD2 4.3Å; L34-L73 HydrophobicContact CD2-CD2 4Å; L34-L73 HydrophobicContact CG-CD2 4.49Å; L34-L117 HydrophobicContact CD2-CD1 3.87Å; L34-L117 HydrophobicContact CG-CD1 4.06Å; L34-L117 HydrophobicContact CG-CD2 4.13Å; L34-I149 HydrophobicContact CD1-CB 3.97Å; L34-I149 HydrophobicContact CD1-CG2 3.43Å; L34-I149 VanDerWaalsContact CD1-CG2 3.43Å; L34-I149 HydrophobicContact CD2-CB 4.49Å; L34-I150 HydrophobicContact CB-CD1 3.9Å; L34-I150 HydrophobicContact CB-CG1 3.64Å; L34-I150 HydrophobicContact CD1-CG1 4.19Å; L34-L153 HydrophobicContact CD1-CD1 3.72Å |
| 35 | E | 97.8 | Very high | 93.3 | Very high | 67 Ų | 67 | 52.4 Ų | 52.4 | 31% | 0.313 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 174.9 | -73.9 | 172.1 | -174.1 | 0 | 0 | 111.3 | Q31 L32 Q33 L38 L39 I150 | Q31-E35 WeakPolarHBondContact CG-OE1 3.37Å; Q31-E35 PolarHBondContact NE2-OE1 3.11Å; Q31-E35 WeakPolarHBondContact O-CG 3.31Å; Q31-E35 PolarHBondContact O-N 2.93Å; L32-E35 PolarHBondContact O-N 2.79Å; Q33-E35 VanDerWaalsContact C-N 3.32Å; E35-L38 PolarHBondContact O-N 3.17Å; E35-L39 VanDerWaalsContact O-CG 3.29Å; E35-L39 WeakPolarHBondContact O-CG 2.99Å; E35-L39 PolarHBondContact O-N 3.06Å; E35-I150 HydrophobicContact CG-CD1 4.04Å |
| 36 | H | 98 | Very high | 94.4 | Very high | 104 Ų | 104 | 52.9 Ų | 52.9 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 173.8 | -68.4 | 169.5 | 0 | 0 | 0 | 112.2 | L32 Q33 L38 L39 D40 I113 | L32-H36 PolarHBondContact O-N 2.62Å; Q33-H36 PolarHBondContact O-N 2.04Å; H36-L38 VanDerWaalsContact C-N 3.3Å; H36-L38 PolarHBondContact O-N 3.11Å; H36-L39 PolarHBondContact O-N 2.88Å; H36-D40 PolarHBondContact O-N 3.44Å; H36-I113 HydrophobicContact CB-CD1 3.81Å |
| 37 | L | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.8 | -44.2 | 176.3 | 178.7 | 57.8 | 0 | 0 | 0 | 111.6 | Q33 L34 L39 D40 L41 L76 L79 I110 I113 V114 L117 | Q33-L37 WeakPolarHBondContact O-CB 3.33Å; Q33-L37 PolarHBondContact O-N 3.49Å; L34-L37 PolarHBondContact O-N 3.32Å; L37-L39 PolarHBondContact O-N 3.23Å; L37-D40 PolarHBondContact O-N 3.09Å; L37-L41 HydrophobicContact CD1-CD1 4.14Å; L37-L41 HydrophobicContact CD1-CG 4.18Å; L37-L41 HydrophobicContact CG-CD1 4.05Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.21Å; L37-L41 PolarHBondContact O-N 3.28Å; L37-L76 HydrophobicContact CD2-CD1 4.5Å; L37-L76 HydrophobicContact CD2-CD2 3.96Å; L37-L79 HydrophobicContact CD1-CD2 4.33Å; L37-I110 HydrophobicContact CD1-CB 4.44Å; L37-I110 HydrophobicContact CD1-CG1 4.33Å; L37-I110 HydrophobicContact CD1-CG2 3.74Å; L37-I113 HydrophobicContact CB-CG2 3.91Å; L37-V114 HydrophobicContact CD1-CG2 4.22Å; L37-V114 HydrophobicContact CD2-CG2 4.28Å; L37-L117 HydrophobicContact CD2-CD1 4.06Å |
| 38 | L | 98.4 | Very high | 94.5 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 12% | 0.12 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 176.7 | 174 | 61.6 | 0 | 0 | 0 | 111.6 | L34 E35 H36 L41 Q42 I143 C146 Q147 I150 | L34-L38 VanDerWaalsContact O-CB 3.23Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 PolarHBondContact O-N 2.95Å; E35-L38 PolarHBondContact O-N 3.17Å; H36-L38 VanDerWaalsContact C-N 3.3Å; H36-L38 PolarHBondContact O-N 3.11Å; L38-L41 PolarHBondContact O-N 3.15Å; L38-Q42 HydrophobicContact CD1-CG 4.25Å; L38-Q42 WeakPolarHBondContact O-CB 3.41Å; L38-Q42 VanDerWaalsContact O-CG 3.25Å; L38-Q42 WeakPolarHBondContact O-CG 3.12Å; L38-Q42 PolarHBondContact O-N 3.31Å; L38-I143 HydrophobicContact CD1-CB 4.18Å; L38-I143 HydrophobicContact CD1-CG1 4.22Å; L38-I143 HydrophobicContact CD1-CG2 3.71Å; L38-C146 HydrophobicContact CB-CB 4.06Å; L38-C146 HydrophobicContact CD1-CB 4.28Å; L38-Q147 HydrophobicContact CD1-CG 4.09Å; L38-Q147 HydrophobicContact CD2-CG 4.09Å; L38-I150 HydrophobicContact CD2-CD1 4.1Å |
| 39 | L | 97.4 | Very high | 94.1 | Very high | 98 Ų | 98 | 48.3 Ų | 48.3 | 51% | 0.513 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 178.8 | -72.7 | 170.6 | 0 | 0 | 0 | 111.9 | E35 H36 L37 Q42 M43 | E35-L39 VanDerWaalsContact O-CG 3.29Å; E35-L39 WeakPolarHBondContact O-CG 2.99Å; E35-L39 PolarHBondContact O-N 3.06Å; H36-L39 PolarHBondContact O-N 2.88Å; L37-L39 PolarHBondContact O-N 3.23Å; L39-Q42 PolarHBondContact O-N 2.78Å; L39-M43 WeakPolarHBondContact O-CB 2.97Å; L39-M43 PolarHBondContact O-N 3.18Å |
| 40 | D | 96.1 | Very high | 93.4 | Very high | 26 Ų | 26 | 49.5 Ų | 49.5 | 14% | 0.139 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 178.5 | -73.2 | -24 | 0 | 0 | 0 | 111.3 | H36 L37 Q42 M43 I44 L106 I110 | H36-D40 PolarHBondContact O-N 3.44Å; L37-D40 PolarHBondContact O-N 3.09Å; D40-Q42 VanDerWaalsContact C-N 3.35Å; D40-Q42 PolarHBondContact O-N 3.46Å; D40-M43 WeakPolarHBondContact O-CB 3.3Å; D40-M43 PolarHBondContact O-N 3.14Å; D40-I44 WeakPolarHBondContact O-CG1 3.48Å; D40-I44 PolarHBondContact O-N 2.84Å; D40-I44 VanDerWaalsContact O-N 3.08Å; D40-L106 HydrophobicContact CB-CD1 3.81Å; D40-L106 WeakPolarHBondContact OD1-CD1 3.36Å; D40-I110 HydrophobicContact CB-CD1 3.92Å; D40-I110 HydrophobicContact CB-CG1 3.63Å |
| 41 | L | 97.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 175.5 | -68.6 | 170.8 | 0 | 0 | 0 | 112.1 | L37 L38 M43 I44 L45 L139 W142 I143 | L37-L41 HydrophobicContact CD1-CD1 4.14Å; L37-L41 HydrophobicContact CD1-CG 4.18Å; L37-L41 HydrophobicContact CG-CD1 4.05Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.21Å; L37-L41 PolarHBondContact O-N 3.28Å; L38-L41 PolarHBondContact O-N 3.15Å; L41-M43 VanDerWaalsContact C-N 3.34Å; L41-I44 PolarHBondContact O-N 2.95Å; L41-L45 PolarHBondContact O-N 2.96Å; L41-L139 HydrophobicContact CD2-CD2 3.89Å; L41-W142 HydrophobicContact CD1-CB 3.77Å; L41-I143 HydrophobicContact CB-CD1 4.25Å; L41-I143 HydrophobicContact CB-CG1 3.73Å; L41-I143 HydrophobicContact CD1-CG1 4.41Å |
| 42 | Q | 95.8 | Very high | 90.8 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -37 | 175.1 | -76 | 176.1 | -13.1 | 0 | 0 | 112.1 | L38 L39 D40 I44 L45 N46 I143 | L38-Q42 HydrophobicContact CD1-CG 4.25Å; L38-Q42 WeakPolarHBondContact O-CB 3.41Å; L38-Q42 VanDerWaalsContact O-CG 3.25Å; L38-Q42 WeakPolarHBondContact O-CG 3.12Å; L38-Q42 PolarHBondContact O-N 3.31Å; L39-Q42 PolarHBondContact O-N 2.78Å; D40-Q42 VanDerWaalsContact C-N 3.35Å; D40-Q42 PolarHBondContact O-N 3.46Å; Q42-I44 VanDerWaalsContact C-N 3.35Å; Q42-L45 PolarHBondContact O-N 3.03Å; Q42-N46 VanDerWaalsContact O-CB 3.25Å; Q42-N46 WeakPolarHBondContact O-CB 3.49Å; Q42-N46 PolarHBondContact O-N 2.92Å; Q42-N46 PolarHBondContact O-ND2 3.15Å; Q42-I143 HydrophobicContact CG-CD1 3.94Å; Q42-I143 HydrophobicContact CG-CG1 4.26Å |
| 43 | M | 92.6 | Very high | 89.4 | Confident | 103 Ų | 103 | 54.8 Ų | 54.8 | 51% | 0.507 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 175.6 | -170 | -177.6 | -56.9 | 0 | 0 | 111 | L39 D40 L41 G47 L100 L106 | L39-M43 WeakPolarHBondContact O-CB 2.97Å; L39-M43 PolarHBondContact O-N 3.18Å; D40-M43 WeakPolarHBondContact O-CB 3.3Å; D40-M43 PolarHBondContact O-N 3.14Å; L41-M43 VanDerWaalsContact C-N 3.34Å; M43-G47 PolarHBondContact O-N 3.3Å; M43-L100 HydrophobicContact CG-CD2 4.32Å; M43-L106 HydrophobicContact SD-CD1 4.38Å; M43-L106 HydrophobicContact SD-CD2 4.5Å |
| 44 | I | 92.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.2 | -51.9 | 174.7 | -61.7 | 173.7 | 0 | 0 | 0 | 110.1 | D40 L41 Q42 N46 G47 I48 L86 L90 L106 I107 I110 L139 | D40-I44 WeakPolarHBondContact O-CG1 3.48Å; D40-I44 PolarHBondContact O-N 2.84Å; D40-I44 VanDerWaalsContact O-N 3.08Å; L41-I44 PolarHBondContact O-N 2.95Å; Q42-I44 VanDerWaalsContact C-N 3.35Å; I44-N46 VanDerWaalsContact C-N 3.34Å; I44-N46 PolarHBondContact O-N 3.2Å; I44-G47 PolarHBondContact O-N 3.24Å; I44-G47 VanDerWaalsContact O-N 3.13Å; I44-I48 HydrophobicContact CG2-CD1 3.86Å; I44-I48 WeakPolarHBondContact O-CG1 3.28Å; I44-I48 PolarHBondContact O-N 3.27Å; I44-L86 HydrophobicContact CD1-CD2 4.24Å; I44-L90 HydrophobicContact CD1-CD1 4.26Å; I44-L90 HydrophobicContact CG2-CD1 4.02Å; I44-L90 HydrophobicContact CG2-CD2 3.8Å; I44-L106 HydrophobicContact CD1-CD2 4.07Å; I44-L106 HydrophobicContact CD1-CG 4.36Å; I44-L106 HydrophobicContact CG1-CD2 3.44Å; I44-L106 VanDerWaalsContact CG1-CD2 3.44Å; I44-L106 HydrophobicContact CG1-CG 4.22Å; I44-I107 HydrophobicContact CD1-CD1 4.21Å; I44-I110 HydrophobicContact CD1-CD1 3.6Å; I44-L139 HydrophobicContact CB-CD1 4.26Å; I44-L139 HydrophobicContact CB-CD2 4.31Å; I44-L139 HydrophobicContact CG2-CD1 3.63Å; I44-L139 HydrophobicContact CG2-CD2 4.09Å |
| 45 | L | 92.3 | Very high | 86 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | -178.1 | 180 | 62.2 | 0 | 0 | 0 | 112.1 | L41 Q42 G47 I48 N49 V136 L139 N140 I143 | L41-L45 PolarHBondContact O-N 2.96Å; Q42-L45 PolarHBondContact O-N 3.03Å; L45-G47 VanDerWaalsContact C-N 3.34Å; L45-G47 PolarHBondContact O-N 3.38Å; L45-I48 PolarHBondContact O-N 3.12Å; L45-N49 WeakPolarHBondContact O-CB 3.35Å; L45-N49 PolarHBondContact O-N 3.34Å; L45-N49 PolarHBondContact O-ND2 2.66Å; L45-V136 HydrophobicContact CD1-CG1 4.16Å; L45-V136 HydrophobicContact CD1-CG2 4.48Å; L45-L139 HydrophobicContact CB-CB 4.46Å; L45-L139 HydrophobicContact CB-CD1 4.12Å; L45-L139 HydrophobicContact CD1-CB 4.42Å; L45-L139 HydrophobicContact CD1-CD1 4.29Å; L45-N140 WeakPolarHBondContact CD2-OD1 3.4Å; L45-I143 HydrophobicContact CB-CD1 4.34Å; L45-I143 HydrophobicContact CD2-CD1 3.71Å |
| 46 | N | 89.5 | Confident | 84.6 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 176.8 | -73.6 | -24.7 | 0 | 0 | 0 | 111.7 | Q42 I44 I48 N50 | Q42-N46 VanDerWaalsContact O-CB 3.25Å; Q42-N46 WeakPolarHBondContact O-CB 3.49Å; Q42-N46 PolarHBondContact O-N 2.92Å; Q42-N46 PolarHBondContact O-ND2 3.15Å; I44-N46 VanDerWaalsContact C-N 3.34Å; I44-N46 PolarHBondContact O-N 3.2Å; N46-I48 VanDerWaalsContact C-N 3.32Å; N46-I48 PolarHBondContact O-N 3.49Å; N46-N50 WeakPolarHBondContact O-CB 3.36Å; N46-N50 PolarHBondContact O-N 3.28Å; N46-N50 VanDerWaalsContact O-N 3.13Å; N46-N50 PolarHBondContact O-ND2 3.32Å |
| 47 | G | 86.1 | Confident | 83.3 | Confident | 20 Ų | 20 | 62 Ų | 62 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.2 | -47 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M43 I44 L45 F98 | M43-G47 PolarHBondContact O-N 3.3Å; I44-G47 PolarHBondContact O-N 3.24Å; I44-G47 VanDerWaalsContact O-N 3.13Å; L45-G47 VanDerWaalsContact C-N 3.34Å; L45-G47 PolarHBondContact O-N 3.38Å; G47-F98 WeakPolarHBondContact O-CE2 3.45Å |
| 48 | I | 85.4 | Confident | 82.1 | Confident | 6 Ų | 6 | 71.9 Ų | 71.9 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.1 | -50.7 | -179.9 | -65.7 | 167.4 | 0 | 0 | 0 | 111.5 | I44 L45 N46 N50 Y51 L56 M59 L60 L90 I135 V136 L139 | I44-I48 HydrophobicContact CG2-CD1 3.86Å; I44-I48 WeakPolarHBondContact O-CG1 3.28Å; I44-I48 PolarHBondContact O-N 3.27Å; L45-I48 PolarHBondContact O-N 3.12Å; N46-I48 VanDerWaalsContact C-N 3.32Å; N46-I48 PolarHBondContact O-N 3.49Å; I48-N50 VanDerWaalsContact C-N 3.32Å; I48-N50 PolarHBondContact O-N 2.9Å; I48-Y51 PolarHBondContact O-N 2.96Å; I48-L56 HydrophobicContact CG2-CD2 4.27Å; I48-M59 HydrophobicContact CD1-CE 3.41Å; I48-M59 VanDerWaalsContact CD1-CE 3.41Å; I48-M59 HydrophobicContact CG1-CE 3.4Å; I48-M59 VanDerWaalsContact CG1-CE 3.4Å; I48-M59 HydrophobicContact CG1-SD 4.44Å; I48-L60 HydrophobicContact CG2-CD2 4.18Å; I48-L90 HydrophobicContact CD1-CD2 4.42Å; I48-I135 HydrophobicContact CD1-CD1 3.8Å; I48-I135 HydrophobicContact CD1-CG1 3.77Å; I48-I135 HydrophobicContact CD1-CG2 4.24Å; I48-V136 HydrophobicContact CG2-CG2 4.23Å; I48-L139 HydrophobicContact CD1-CD1 3.53Å |
| 49 | N | 84.7 | Confident | 81.2 | Confident | 94 Ų | 94 | 71 Ų | 71 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.2 | -30.8 | -174.5 | -74.1 | -22.3 | 0 | 0 | 0 | 113.3 | L45 Y51 | L45-N49 WeakPolarHBondContact O-CB 3.35Å; L45-N49 PolarHBondContact O-N 3.34Å; L45-N49 PolarHBondContact O-ND2 2.66Å; N49-Y51 PolarHBondContact O-N 2.84Å |
| 50 | N | 79.1 | Confident | 80.3 | Confident | 135 Ų | 135 | 69.7 Ų | 69.7 | 72% | 0.722 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -4.4 | 178.8 | -73.7 | -45.5 | 0 | 0 | 0 | 113.5 | N46 I48 | N46-N50 WeakPolarHBondContact O-CB 3.36Å; N46-N50 PolarHBondContact O-N 3.28Å; N46-N50 VanDerWaalsContact O-N 3.13Å; N46-N50 PolarHBondContact O-ND2 3.32Å; I48-N50 VanDerWaalsContact C-N 3.32Å; I48-N50 PolarHBondContact O-N 2.9Å |
| 51 | Y | 71.4 | Confident | 79.8 | Confident | 32 Ų | 32 | 72.8 Ų | 72.8 | 13% | 0.125 | 37% | 0.368 | C | S | . | . | trans | -98.6 | 127.5 | -171.5 | -162 | -124.5 | 0 | 0 | 0 | 111.6 | I48 N49 N53 L56 S95 N97 F98 | I48-Y51 PolarHBondContact O-N 2.96Å; N49-Y51 PolarHBondContact O-N 2.84Å; Y51-N53 HydrophobicContact CD1-CB 3.9Å; Y51-N53 HydrophobicContact CE1-CB 3.19Å; Y51-N53 HydrophobicContact CE2-CB 4.32Å; Y51-N53 VanDerWaalsContact CZ-CB 3.41Å; Y51-N53 WeakPolarHBondContact OH-CB 3.43Å; Y51-N53 PolarHBondContact OH-ND2 2.92Å; Y51-L56 VanDerWaalsContact C-CD1 3.44Å; Y51-L56 HydrophobicContact CD1-CD1 3.12Å; Y51-L56 HydrophobicContact CD1-CD2 3.93Å; Y51-L56 HydrophobicContact CD1-CG 3.47Å; Y51-L56 VanDerWaalsContact CD1-CG 3.47Å; Y51-L56 HydrophobicContact CE1-CD1 3.91Å; Y51-L56 HydrophobicContact CE1-CG 4.15Å; Y51-L56 HydrophobicContact CG-CD1 3.72Å; Y51-L56 HydrophobicContact CG-CG 4.4Å; Y51-L56 WeakPolarHBondContact O-CD1 3.36Å; Y51-S95 PolarHBondContact OH-OG 2.92Å; Y51-N97 HydrophobicContact CE2-CB 3.96Å; Y51-F98 HydrophobicContact CD1-CB 4.38Å; Y51-F98 AromaticContact CD1-CD2 3.79Å; Y51-F98 HydrophobicContact CD1-CD2 3.79Å; Y51-F98 HydrophobicContact CD1-CG 4.43Å; Y51-F98 HydrophobicContact CD2-CB 4.27Å; Y51-F98 HydrophobicContact CD2-CD2 4.04Å; Y51-F98 HydrophobicContact CE1-CB 4.11Å; Y51-F98 HydrophobicContact CE1-CD2 4.36Å; Y51-F98 HydrophobicContact CE2-CB 3.96Å; Y51-F98 AromaticContact CG-CD2 3.7Å; Y51-F98 HydrophobicContact CG-CD2 3.7Å; Y51-F98 HydrophobicContact CG-CE2 4.46Å | ||
| 52 | K | 63.5 | Low | 79.5 | Confident | 212 Ų | 212 | 76.5 Ų | 76.5 | 92% | 0.922 | 38% | 0.384 | S | S | * | . | trans | -116.9 | 71.9 | 179.6 | -67.3 | -176.2 | -178.9 | 179.5 | 0 | 110.4 | ||||
| 53 | N | 67 | Low | 79.4 | Confident | 41 Ų | 41 | 78.1 Ų | 78.1 | 22% | 0.219 | 39% | 0.39 | C | S | . | . | trans | -133.5 | 135.3 | 179.6 | -172 | -38.8 | 0 | 0 | 0 | 111.3 | Y51 K55 L56 | Y51-N53 HydrophobicContact CD1-CB 3.9Å; Y51-N53 HydrophobicContact CE1-CB 3.19Å; Y51-N53 HydrophobicContact CE2-CB 4.32Å; Y51-N53 VanDerWaalsContact CZ-CB 3.41Å; Y51-N53 WeakPolarHBondContact OH-CB 3.43Å; Y51-N53 PolarHBondContact OH-ND2 2.92Å; N53-K55 PolarHBondContact O-N 2.81Å; N53-K55 VanDerWaalsContact O-N 3.13Å; N53-K55 WeakPolarHBondContact OD1-CB 3.39Å; N53-K55 PolarHBondContact OD1-N 2.61Å; N53-L56 HydrophobicContact CB-CD1 4.09Å; N53-L56 VanDerWaalsContact N-CD1 3.31Å; N53-L56 WeakPolarHBondContact O-CB 3.43Å; N53-L56 VanDerWaalsContact O-CD1 3.26Å; N53-L56 WeakPolarHBondContact O-CD1 3.47Å; N53-L56 PolarHBondContact O-N 3.34Å | ||
| 54 | P | 58.9 | Low | 79.6 | Confident | 109 Ų | 109 | 73.2 Ų | 73.2 | 71% | 0.708 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -23.3 | 173.9 | 21.3 | -33.2 | 0 | 0 | 0 | 115.3 | L56 T57 | P54-L56 PolarHBondContact O-N 3.05Å; P54-T57 VanDerWaalsContact O-CB 3.31Å; P54-T57 WeakPolarHBondContact O-CB 3.24Å; P54-T57 PolarHBondContact O-N 3.04Å; P54-T57 PolarHBondContact O-OG1 2.82Å; P54-T57 VanDerWaalsContact O-OG1 3.11Å |
| 55 | K | 64.9 | Low | 79.9 | Confident | 137 Ų | 137 | 79.2 Ų | 79.2 | 60% | 0.596 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.6 | 171.6 | -70.1 | -170.8 | 178.7 | -173.1 | 0 | 113 | N53 T57 | N53-K55 PolarHBondContact O-N 2.81Å; N53-K55 VanDerWaalsContact O-N 3.13Å; N53-K55 WeakPolarHBondContact OD1-CB 3.39Å; N53-K55 PolarHBondContact OD1-N 2.61Å; K55-T57 PolarHBondContact O-N 3.02Å |
| 56 | L | 67.8 | Low | 80.1 | Confident | 10 Ų | 10 | 78.9 Ų | 78.9 | 5% | 0.052 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.2 | -29.6 | 170 | -80.5 | 139.5 | 0 | 0 | 0 | 112.3 | I48 Y51 N53 P54 R58 M59 L60 | I48-L56 HydrophobicContact CG2-CD2 4.27Å; Y51-L56 VanDerWaalsContact C-CD1 3.44Å; Y51-L56 HydrophobicContact CD1-CD1 3.12Å; Y51-L56 HydrophobicContact CD1-CD2 3.93Å; Y51-L56 HydrophobicContact CD1-CG 3.47Å; Y51-L56 VanDerWaalsContact CD1-CG 3.47Å; Y51-L56 HydrophobicContact CE1-CD1 3.91Å; Y51-L56 HydrophobicContact CE1-CG 4.15Å; Y51-L56 HydrophobicContact CG-CD1 3.72Å; Y51-L56 HydrophobicContact CG-CG 4.4Å; Y51-L56 WeakPolarHBondContact O-CD1 3.36Å; N53-L56 HydrophobicContact CB-CD1 4.09Å; N53-L56 VanDerWaalsContact N-CD1 3.31Å; N53-L56 WeakPolarHBondContact O-CB 3.43Å; N53-L56 VanDerWaalsContact O-CD1 3.26Å; N53-L56 WeakPolarHBondContact O-CD1 3.47Å; N53-L56 PolarHBondContact O-N 3.34Å; P54-L56 PolarHBondContact O-N 3.05Å; L56-R58 PolarHBondContact O-N 2.95Å; L56-M59 HydrophobicContact CD2-SD 4.03Å; L56-M59 WeakPolarHBondContact O-CB 3.46Å; L56-M59 PolarHBondContact O-N 3.44Å; L56-L60 HydrophobicContact CB-CD1 4.21Å; L56-L60 HydrophobicContact CB-CG 4.44Å; L56-L60 WeakPolarHBondContact O-CB 3.24Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.45Å; L56-L60 PolarHBondContact O-N 2.91Å |
| 57 | T | 71.1 | Confident | 80.3 | Confident | 88 Ų | 88 | 75.1 Ų | 75.1 | 54% | 0.54 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56.9 | -40 | -175.5 | -53.8 | 0 | 0 | 0 | 0 | 111 | P54 K55 T61 | P54-T57 VanDerWaalsContact O-CB 3.31Å; P54-T57 WeakPolarHBondContact O-CB 3.24Å; P54-T57 PolarHBondContact O-N 3.04Å; P54-T57 PolarHBondContact O-OG1 2.82Å; P54-T57 VanDerWaalsContact O-OG1 3.11Å; K55-T57 PolarHBondContact O-N 3.02Å; T57-T61 WeakPolarHBondContact O-CG2 3.37Å; T57-T61 PolarHBondContact O-N 3.42Å; T57-T61 VanDerWaalsContact O-N 3.13Å; T57-T61 PolarHBondContact O-OG1 3.34Å |
| 58 | R | 72.1 | Confident | 80.7 | Confident | 209 Ų | 209 | 80.4 Ų | 80.4 | 79% | 0.789 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.5 | -43.1 | 175.8 | -70.6 | -172 | -175.4 | 171.7 | 0.8 | 112.9 | L56 T61 F62 | L56-R58 PolarHBondContact O-N 2.95Å; R58-T61 WeakPolarHBondContact CA-OG1 3.41Å; R58-T61 PolarHBondContact O-N 3.37Å; R58-T61 PolarHBondContact O-OG1 3.04Å; R58-F62 PolarHBondContact O-N 3.3Å |
| 59 | M | 78.9 | Confident | 81 | Confident | 5 Ų | 5 | 86.9 Ų | 86.9 | 3% | 0.025 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 175.8 | 159.7 | 177.9 | -157.5 | 0 | 0 | 111.8 | I48 L56 T61 F62 V89 L90 A93 I135 | I48-M59 HydrophobicContact CD1-CE 3.41Å; I48-M59 VanDerWaalsContact CD1-CE 3.41Å; I48-M59 HydrophobicContact CG1-CE 3.4Å; I48-M59 VanDerWaalsContact CG1-CE 3.4Å; I48-M59 HydrophobicContact CG1-SD 4.44Å; L56-M59 HydrophobicContact CD2-SD 4.03Å; L56-M59 WeakPolarHBondContact O-CB 3.46Å; L56-M59 PolarHBondContact O-N 3.44Å; M59-T61 PolarHBondContact O-N 2.98Å; M59-F62 WeakPolarHBondContact O-CB 3.5Å; M59-F62 PolarHBondContact O-N 3.43Å; M59-V89 HydrophobicContact CB-CG1 3.93Å; M59-V89 HydrophobicContact CE-CG1 4.17Å; M59-V89 HydrophobicContact CG-CG1 3.49Å; M59-V89 VanDerWaalsContact CG-CG1 3.49Å; M59-V89 HydrophobicContact SD-CG1 4.41Å; M59-L90 HydrophobicContact CE-CD2 3.44Å; M59-L90 VanDerWaalsContact CE-CD2 3.44Å; M59-L90 HydrophobicContact CE-CG 4.34Å; M59-A93 HydrophobicContact SD-CB 3.45Å; M59-A93 WeakPolarHBondContact SD-CB 3.39Å; M59-I135 HydrophobicContact CE-CD1 3.27Å; M59-I135 HydrophobicContact CE-CG1 4.36Å; M59-I135 HydrophobicContact CG-CD1 4.25Å; M59-I135 HydrophobicContact CG-CG2 4.34Å |
| 60 | L | 79.2 | Confident | 81.5 | Confident | 69 Ų | 69 | 83.8 Ų | 83.8 | 36% | 0.361 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.7 | -25 | 179.3 | -66.3 | 173.2 | 0 | 0 | 0 | 112.4 | I48 L56 I135 V136 | I48-L60 HydrophobicContact CG2-CD2 4.18Å; L56-L60 HydrophobicContact CB-CD1 4.21Å; L56-L60 HydrophobicContact CB-CG 4.44Å; L56-L60 WeakPolarHBondContact O-CB 3.24Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.45Å; L56-L60 PolarHBondContact O-N 2.91Å; L60-I135 HydrophobicContact CD2-CG2 3.84Å; L60-V136 HydrophobicContact CD2-CG2 4.1Å |
| 61 | T | 85.6 | Confident | 82.1 | Confident | 92 Ų | 92 | 80.7 Ų | 80.7 | 56% | 0.564 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -83.1 | -15.6 | 175 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | T57 R58 M59 | T57-T61 WeakPolarHBondContact O-CG2 3.37Å; T57-T61 PolarHBondContact O-N 3.42Å; T57-T61 VanDerWaalsContact O-N 3.13Å; T57-T61 PolarHBondContact O-OG1 3.34Å; R58-T61 WeakPolarHBondContact CA-OG1 3.41Å; R58-T61 PolarHBondContact O-N 3.37Å; R58-T61 PolarHBondContact O-OG1 3.04Å; M59-T61 PolarHBondContact O-N 2.98Å |
| 62 | F | 90.9 | Very high | 83.1 | Confident | 78 Ų | 78 | 83.5 Ų | 83.5 | 34% | 0.342 | 40% | 0.401 | S | S | . | . | trans | -61.9 | 140.6 | 175.1 | -169.1 | -84.9 | 0 | 0 | 0 | 109.7 | R58 M59 F64 P85 V89 | R58-F62 PolarHBondContact O-N 3.3Å; M59-F62 WeakPolarHBondContact O-CB 3.5Å; M59-F62 PolarHBondContact O-N 3.43Å; F62-F64 HydrophobicContact CB-CE2 4.45Å; F62-F64 HydrophobicContact CD1-CD1 4.24Å; F62-F64 AromaticContact CD1-CD2 3.77Å; F62-F64 HydrophobicContact CD1-CD2 3.77Å; F62-F64 AromaticContact CD1-CE1 3.94Å; F62-F64 HydrophobicContact CD1-CE1 3.94Å; F62-F64 AromaticContact CD1-CE2 3.43Å; F62-F64 HydrophobicContact CD1-CE2 3.43Å; F62-F64 VanDerWaalsContact CD1-CE2 3.43Å; F62-F64 HydrophobicContact CD1-CG 4.16Å; F62-F64 AromaticContact CD1-CZ 3.53Å; F62-F64 HydrophobicContact CD1-CZ 3.53Å; F62-F64 AromaticContact CE1-CD1 3.98Å; F62-F64 HydrophobicContact CE1-CD1 3.98Å; F62-F64 HydrophobicContact CE1-CD2 4.31Å; F62-F64 AromaticContact CE1-CE1 3.8Å; F62-F64 HydrophobicContact CE1-CE1 3.8Å; F62-F64 HydrophobicContact CE1-CE2 4.13Å; F62-F64 HydrophobicContact CE1-CG 4.23Å; F62-F64 AromaticContact CE1-CZ 3.87Å; F62-F64 HydrophobicContact CE1-CZ 3.87Å; F62-F64 HydrophobicContact CG-CE2 4.35Å; F62-F64 HydrophobicContact CG-CZ 4.49Å; F62-P85 HydrophobicContact CE1-CB 3.97Å; F62-P85 HydrophobicContact CZ-CB 3.88Å; F62-V89 HydrophobicContact CB-CG1 4.49Å; F62-V89 HydrophobicContact CB-CG2 3.8Å; F62-V89 HydrophobicContact CD1-CG2 3.72Å; F62-V89 HydrophobicContact CD2-CG2 3.57Å; F62-V89 HydrophobicContact CE1-CG2 4.17Å; F62-V89 HydrophobicContact CE2-CG2 4.04Å; F62-V89 HydrophobicContact CG-CG2 3.39Å; F62-V89 HydrophobicContact CZ-CG2 4.32Å | ||
| 63 | K | 94.6 | Very high | 84.6 | Confident | 97 Ų | 97 | 75.5 Ų | 75.5 | 42% | 0.422 | 37% | 0.368 | S | S | . | . | trans | -113.9 | 119.6 | -173.4 | -70.3 | -50.6 | -169.1 | 172 | 0 | 109.4 | T132 A133 | K63-T132 HydrophobicContact CB-CG2 4.17Å; K63-T132 WeakPolarHBondContact CB-OG1 3.38Å; K63-T132 WeakPolarHBondContact CD-OG1 3.46Å; K63-T132 WeakPolarHBondContact CG-OG1 3.19Å; K63-A133 WeakPolarHBondContact CA-O 3.35Å | ||
| 64 | F | 97.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -97.6 | 145.7 | 176.9 | -66.6 | -89.3 | 0 | 0 | 0 | 110 | F62 E82 P85 L86 V89 T132 A133 I135 F138 | F62-F64 HydrophobicContact CB-CE2 4.45Å; F62-F64 HydrophobicContact CD1-CD1 4.24Å; F62-F64 AromaticContact CD1-CD2 3.77Å; F62-F64 HydrophobicContact CD1-CD2 3.77Å; F62-F64 AromaticContact CD1-CE1 3.94Å; F62-F64 HydrophobicContact CD1-CE1 3.94Å; F62-F64 AromaticContact CD1-CE2 3.43Å; F62-F64 HydrophobicContact CD1-CE2 3.43Å; F62-F64 VanDerWaalsContact CD1-CE2 3.43Å; F62-F64 HydrophobicContact CD1-CG 4.16Å; F62-F64 AromaticContact CD1-CZ 3.53Å; F62-F64 HydrophobicContact CD1-CZ 3.53Å; F62-F64 AromaticContact CE1-CD1 3.98Å; F62-F64 HydrophobicContact CE1-CD1 3.98Å; F62-F64 HydrophobicContact CE1-CD2 4.31Å; F62-F64 AromaticContact CE1-CE1 3.8Å; F62-F64 HydrophobicContact CE1-CE1 3.8Å; F62-F64 HydrophobicContact CE1-CE2 4.13Å; F62-F64 HydrophobicContact CE1-CG 4.23Å; F62-F64 AromaticContact CE1-CZ 3.87Å; F62-F64 HydrophobicContact CE1-CZ 3.87Å; F62-F64 HydrophobicContact CG-CE2 4.35Å; F62-F64 HydrophobicContact CG-CZ 4.49Å; F64-E82 WeakPolarHBondContact CA-OE2 3.43Å; F64-E82 HydrophobicContact CD1-CB 4.36Å; F64-E82 WeakPolarHBondContact CD1-OE2 3.49Å; F64-P85 HydrophobicContact CE1-CB 4.11Å; F64-L86 HydrophobicContact CE1-CB 3.88Å; F64-L86 HydrophobicContact CE1-CD1 4.22Å; F64-L86 HydrophobicContact CZ-CB 4.34Å; F64-L86 HydrophobicContact CZ-CD1 3.94Å; F64-V89 HydrophobicContact CZ-CB 4.29Å; F64-V89 HydrophobicContact CZ-CG1 4.43Å; F64-V89 HydrophobicContact CZ-CG2 4.08Å; F64-T132 CarbonylContact O-C 3.52Å; F64-T132 WeakPolarHBondContact O-CA 3.4Å; F64-T132 WeakPolarHBondContact O-CB 3.29Å; F64-A133 PolarHBondContact N-O 3.1Å; F64-A133 PolarHBondContact O-N 3.49Å; F64-I135 HydrophobicContact CD2-CB 4.33Å; F64-I135 HydrophobicContact CE2-CB 3.69Å; F64-I135 HydrophobicContact CE2-CD1 4.03Å; F64-I135 HydrophobicContact CE2-CG1 3.9Å; F64-I135 HydrophobicContact CZ-CD1 4.08Å; F64-I135 HydrophobicContact CZ-CG1 4.32Å; F64-F138 HydrophobicContact CB-CB 4.08Å; F64-F138 HydrophobicContact CB-CD2 3.43Å; F64-F138 VanDerWaalsContact CB-CD2 3.43Å; F64-F138 HydrophobicContact CB-CE2 4Å; F64-F138 HydrophobicContact CB-CG 3.85Å; F64-F138 HydrophobicContact CD1-CD1 4.47Å; F64-F138 HydrophobicContact CD1-CD2 4.28Å; F64-F138 HydrophobicContact CD1-CE2 4.32Å; F64-F138 HydrophobicContact CD1-CG 4.35Å; F64-F138 HydrophobicContact CD1-CZ 4.44Å; F64-F138 HydrophobicContact CD2-CB 4.21Å; F64-F138 HydrophobicContact CD2-CG 4.35Å; F64-F138 HydrophobicContact CG-CB 4.19Å; F64-F138 HydrophobicContact CG-CD1 4.41Å; F64-F138 AromaticContact CG-CD2 3.93Å; F64-F138 HydrophobicContact CG-CD2 3.93Å; F64-F138 HydrophobicContact CG-CE2 4.4Å; F64-F138 AromaticContact CG-CG 3.92Å; F64-F138 HydrophobicContact CG-CG 3.92Å |
| 65 | Y | 97.3 | Very high | 87.5 | Confident | 125 Ų | 125 | 72.5 Ų | 72.5 | 49% | 0.49 | 34% | 0.342 | S | S | . | . | trans | -79 | 140.3 | 171.1 | -65.9 | -82.7 | 0 | 0 | 0 | 110.2 | E82 Y128 T132 | Y65-E82 WeakPolarHBondContact CD2-OE1 3.46Å; Y65-E82 PolarHBondContact N-OE2 2.88Å; Y65-E82 VanDerWaalsContact N-OE2 3.14Å; Y65-Y128 VanDerWaalsContact CB-CD1 3.46Å; Y65-Y128 HydrophobicContact CD1-CG 4.47Å; Y65-Y128 HydrophobicContact CG-CD1 4.43Å; Y65-T132 HydrophobicContact CD1-CG2 4.19Å; Y65-T132 HydrophobicContact CE1-CG2 4.13Å | ||
| 66 | M | 96.5 | Very high | 89 | Confident | 9 Ų | 9 | 66 Ų | 66 | 4% | 0.044 | 31% | 0.314 | C | S | . | . | trans | -121.1 | 138.9 | 175 | -81.3 | -60.6 | -57.5 | 0 | 0 | 109.5 | Y128 A129 A133 F138 R141 | M66-Y128 CarbonylContact O-C 3.52Å; M66-Y128 WeakPolarHBondContact O-CA 3.44Å; M66-A129 PolarHBondContact O-N 3.36Å; M66-A133 HydrophobicContact CG-CB 3.71Å; M66-F138 HydrophobicContact CG-CD2 4.36Å; M66-F138 HydrophobicContact SD-CD2 3.52Å; M66-F138 VanDerWaalsContact SD-CD2 3.52Å; M66-F138 HydrophobicContact SD-CE2 4.01Å; M66-F138 HydrophobicContact SD-CG 4.4Å; M66-R141 HydrophobicContact CE-CB 3.56Å; M66-R141 HydrophobicContact CE-CG 4.24Å; M66-R141 HydrophobicContact SD-CB 4.4Å | ||
| 67 | P | 95 | Very high | 90.3 | Very high | 9 Ų | 9 | 66.4 Ų | 66.4 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -62.2 | 148 | 170 | 26.8 | -35.8 | 0 | 0 | 0 | 111 | K69 A70 C78 E127 W142 | P67-K69 PolarHBondContact O-N 3.03Å; P67-A70 HydrophobicContact CG-CB 4.02Å; P67-C78 HydrophobicContact CB-CB 4.32Å; P67-C78 HydrophobicContact CG-CB 4.05Å; P67-E127 CarbonylContact C-O 3.51Å; P67-E127 VanDerWaalsContact CA-O 3.32Å; P67-E127 WeakPolarHBondContact CA-O 3.43Å; P67-W142 HydrophobicContact CG-CH2 4.21Å; P67-W142 HydrophobicContact CG-CZ2 4.23Å |
| 68 | K | 94.6 | Very high | 91.4 | Very high | 132 Ų | 132 | 62.2 Ų | 62.2 | 57% | 0.574 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -55.4 | -36.3 | 172.3 | -72.2 | -178.1 | -177.6 | -177.8 | 0 | 111.6 | E127 Y128 A129 | K68-E127 PolarHBondContact N-O 2.81Å; K68-Y128 WeakPolarHBondContact CE-O 3.45Å; K68-Y128 WeakPolarHBondContact CG-O 3.4Å; K68-A129 HydrophobicContact CG-CB 4.2Å |
| 69 | K | 91.6 | Very high | 92.6 | Very high | 141 Ų | 141 | 52.3 Ų | 52.3 | 61% | 0.613 | 25% | 0.252 | S | S | * | . | trans | -145.8 | 136.4 | 178.4 | -172.8 | 176.3 | 179.4 | -174.5 | 0 | 110 | P67 T71 H75 | P67-K69 PolarHBondContact O-N 3.03Å; K69-T71 HydrophobicContact CD-CG2 4.26Å; K69-T71 WeakPolarHBondContact CE-OG1 3.41Å; K69-T71 HydrophobicContact CG-CG2 3.86Å; K69-H75 PolarHBondContact O-CD2 2.89Å; K69-H75 VanDerWaalsContact O-CD2 3.28Å | ||
| 70 | A | 93.6 | Very high | 93.4 | Very high | 30 Ų | 30 | 54.3 Ų | 54.3 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | trans | -132.9 | 105.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | P67 H75 W142 F145 | P67-A70 HydrophobicContact CG-CB 4.02Å; A70-H75 HydrophobicContact CB-CB 3.92Å; A70-W142 HydrophobicContact CB-CH2 4.41Å; A70-W142 HydrophobicContact CB-CZ3 4.3Å; A70-F145 HydrophobicContact CB-CD2 3.75Å; A70-F145 HydrophobicContact CB-CE2 4.1Å; A70-F145 WeakPolarHBondContact O-CD2 3.49Å | ||
| 71 | T | 92.8 | Very high | 94.2 | Very high | 69 Ų | 69 | 55 Ų | 55 | 42% | 0.423 | 26% | 0.263 | S | S | . | . | trans | -135.8 | -1.4 | -177.5 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | K69 H75 I149 | K69-T71 HydrophobicContact CD-CG2 4.26Å; K69-T71 WeakPolarHBondContact CE-OG1 3.41Å; K69-T71 HydrophobicContact CG-CG2 3.86Å; T71-H75 PolarHBondContact N-ND1 2.94Å; T71-I149 WeakPolarHBondContact O-CD1 2.91Å | ||
| 72 | E | 93.1 | Very high | 94.7 | Very high | 91 Ų | 91 | 51.4 Ų | 51.4 | 43% | 0.425 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -139.3 | 152.4 | -175.7 | -61.8 | 170.9 | -113.4 | 0 | 0 | 108.5 | K74 H75 F145 | E72-K74 HydrophobicContact CB-CG 3.99Å; E72-K74 PolarHBondContact O-N 2.83Å; E72-K74 VanDerWaalsContact O-N 3.17Å; E72-K74 IonicContact OE1-NZ 3.01Å; E72-K74 PolarHBondContact OE1-NZ 3.28Å; E72-K74 WeakPolarHBondContact OE2-CE 3.34Å; E72-K74 IonicContact OE2-NZ 2.75Å; E72-K74 PolarHBondContact OE2-NZ 3.21Å; E72-H75 PolarHBondContact N-ND1 3.22Å; E72-H75 WeakPolarHBondContact O-CB 3.41Å; E72-H75 PolarHBondContact O-N 3.44Å; E72-H75 PolarHBondContact O-ND1 3.01Å; E72-H75 IonicContact OE1-CE1 3.78Å; E72-F145 WeakPolarHBondContact O-CZ 3.39Å |
| 73 | L | 94.7 | Very high | 95.1 | Very high | 44 Ų | 44 | 48 Ų | 48 | 23% | 0.23 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -56.7 | -32.9 | -177.7 | -66.2 | 178.5 | 0 | 0 | 0 | 113.7 | T30 L34 H75 L76 L117 I149 | T30-L73 HydrophobicContact CG2-CD1 3.8Å; L34-L73 HydrophobicContact CD1-CD2 4.3Å; L34-L73 HydrophobicContact CD2-CD2 4Å; L34-L73 HydrophobicContact CG-CD2 4.49Å; L73-H75 PolarHBondContact O-N 3.14Å; L73-H75 VanDerWaalsContact O-N 3.11Å; L73-L76 HydrophobicContact CD2-CD1 4.15Å; L73-L76 WeakPolarHBondContact O-CB 3.43Å; L73-L76 WeakPolarHBondContact O-CG 3.47Å; L73-L76 PolarHBondContact O-N 3.19Å; L73-L117 WeakPolarHBondContact CB-O 3.5Å; L73-L117 HydrophobicContact CD2-CB 4.49Å; L73-L117 HydrophobicContact CD2-CD2 4.45Å; L73-I149 HydrophobicContact CD2-CG2 4.14Å |
| 74 | K | 92.8 | Very high | 95.1 | Very high | 63 Ų | 63 | 50 Ų | 50 | 27% | 0.274 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -56.9 | -25.9 | 175.1 | 67.1 | -178.6 | -167 | -142.7 | 0 | 113.7 | E72 L76 Q77 L124 | E72-K74 HydrophobicContact CB-CG 3.99Å; E72-K74 PolarHBondContact O-N 2.83Å; E72-K74 VanDerWaalsContact O-N 3.17Å; E72-K74 IonicContact OE1-NZ 3.01Å; E72-K74 PolarHBondContact OE1-NZ 3.28Å; E72-K74 WeakPolarHBondContact OE2-CE 3.34Å; E72-K74 IonicContact OE2-NZ 2.75Å; E72-K74 PolarHBondContact OE2-NZ 3.21Å; K74-L76 PolarHBondContact O-N 3.4Å; K74-Q77 VanDerWaalsContact O-CB 3.3Å; K74-Q77 WeakPolarHBondContact O-CB 3.4Å; K74-Q77 PolarHBondContact O-N 3.36Å; K74-L124 HydrophobicContact CB-CD1 3.95Å; K74-L124 HydrophobicContact CD-CD1 3.51Å; K74-L124 HydrophobicContact CG-CD1 3.54Å |
| 75 | H | 94.2 | Very high | 95 | Very high | 25 Ų | 25 | 51.4 Ų | 51.4 | 12% | 0.116 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -70.3 | -15.2 | 177.1 | -58.4 | 103.8 | 0 | 0 | 0 | 112.7 | K69 A70 T71 E72 L73 Q77 C78 W142 | K69-H75 PolarHBondContact O-CD2 2.89Å; K69-H75 VanDerWaalsContact O-CD2 3.28Å; A70-H75 HydrophobicContact CB-CB 3.92Å; T71-H75 PolarHBondContact N-ND1 2.94Å; E72-H75 PolarHBondContact N-ND1 3.22Å; E72-H75 WeakPolarHBondContact O-CB 3.41Å; E72-H75 PolarHBondContact O-N 3.44Å; E72-H75 PolarHBondContact O-ND1 3.01Å; E72-H75 IonicContact OE1-CE1 3.78Å; L73-H75 PolarHBondContact O-N 3.14Å; L73-H75 VanDerWaalsContact O-N 3.11Å; H75-Q77 PolarHBondContact O-N 3.44Å; H75-Q77 VanDerWaalsContact O-N 3.09Å; H75-C78 WeakPolarHBondContact O-CB 3.44Å; H75-C78 PolarHBondContact O-N 3.29Å; H75-W142 VanDerWaalsContact O-CH2 3.28Å; H75-W142 WeakPolarHBondContact O-CH2 3.48Å |
| 76 | L | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -60.7 | -14.9 | 171.7 | -69.1 | 170.5 | 0 | 0 | 0 | 112.7 | L37 L73 K74 C78 L79 E80 V114 L117 K118 W142 F145 | L37-L76 HydrophobicContact CD2-CD1 4.5Å; L37-L76 HydrophobicContact CD2-CD2 3.96Å; L73-L76 HydrophobicContact CD2-CD1 4.15Å; L73-L76 WeakPolarHBondContact O-CB 3.43Å; L73-L76 WeakPolarHBondContact O-CG 3.47Å; L73-L76 PolarHBondContact O-N 3.19Å; K74-L76 PolarHBondContact O-N 3.4Å; L76-C78 PolarHBondContact O-N 3.43Å; L76-L79 HydrophobicContact CD2-CB 4.47Å; L76-L79 HydrophobicContact CD2-CD2 4.03Å; L76-L79 WeakPolarHBondContact O-CB 3.48Å; L76-L79 PolarHBondContact O-N 3.09Å; L76-E80 PolarHBondContact O-N 2.98Å; L76-V114 HydrophobicContact CB-CG1 4.07Å; L76-V114 WeakPolarHBondContact O-CG1 3.32Å; L76-L117 HydrophobicContact CD1-CB 3.54Å; L76-L117 HydrophobicContact CD1-CD1 3.88Å; L76-L117 HydrophobicContact CD1-CG 4.37Å; L76-K118 HydrophobicContact CB-CB 4.28Å; L76-W142 HydrophobicContact CD2-CE3 4.05Å; L76-W142 HydrophobicContact CD2-CZ3 3.86Å; L76-F145 HydrophobicContact CD1-CE1 4.29Å; L76-F145 HydrophobicContact CD2-CD1 4.08Å; L76-F145 HydrophobicContact CD2-CE1 3.58Å; L76-F145 HydrophobicContact CD2-CZ 4.37Å; L76-F145 HydrophobicContact CG-CE1 3.78Å; L76-F145 HydrophobicContact CG-CZ 4.17Å |
| 77 | Q | 94.7 | Very high | 94.7 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -49.2 | -39.6 | 164.6 | -177.6 | 57.4 | 45.7 | 0 | 0 | 112.1 | K74 H75 L79 E80 E81 L124 | K74-Q77 VanDerWaalsContact O-CB 3.3Å; K74-Q77 WeakPolarHBondContact O-CB 3.4Å; K74-Q77 PolarHBondContact O-N 3.36Å; H75-Q77 PolarHBondContact O-N 3.44Å; H75-Q77 VanDerWaalsContact O-N 3.09Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 2.89Å; Q77-E80 VanDerWaalsContact CD-OE2 3.3Å; Q77-E80 PolarHBondContact NE2-OE2 2.95Å; Q77-E80 WeakPolarHBondContact O-CB 3.41Å; Q77-E80 PolarHBondContact O-N 3.44Å; Q77-E80 PolarHBondContact OE1-OE2 3.08Å; Q77-E81 PolarHBondContact NE2-OE1 3.45Å; Q77-E81 VanDerWaalsContact NE2-OE1 3.07Å; Q77-E81 PolarHBondContact O-N 3.35Å; Q77-E81 VanDerWaalsContact O-N 3.11Å; Q77-L124 HydrophobicContact CB-CD2 3.99Å; Q77-L124 HydrophobicContact CG-CD2 4.29Å; Q77-L124 WeakPolarHBondContact CG-O 3.23Å |
| 78 | C | 95.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -76.2 | -24.8 | -179.1 | -46.8 | 0 | 0 | 0 | 0 | 112.6 | P67 H75 L76 E82 C126 Y128 W142 | P67-C78 HydrophobicContact CB-CB 4.32Å; P67-C78 HydrophobicContact CG-CB 4.05Å; H75-C78 WeakPolarHBondContact O-CB 3.44Å; H75-C78 PolarHBondContact O-N 3.29Å; L76-C78 PolarHBondContact O-N 3.43Å; C78-E82 WeakPolarHBondContact O-CG 3.44Å; C78-C126 WeakPolarHBondContact CA-SG 3.34Å; C78-C126 HydrophobicContact CB-CB 3.97Å; C78-C126 WeakPolarHBondContact CB-SG 3.5Å; C78-C126 PolarHBondContact N-SG 3.13Å; C78-C126 WeakPolarHBondContact SG-CB 3.23Å; C78-C126 CovalentContact SG-SG 2.04Å; C78-C126 PolarHBondContact SG-SG 3.35Å; C78-Y128 HydrophobicContact CB-CE1 4.26Å; C78-W142 HydrophobicContact CB-CH2 4.29Å; C78-W142 HydrophobicContact CB-CZ2 4.15Å |
| 79 | L | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70 | -48.1 | 168.9 | 176.8 | 53.6 | 0 | 0 | 0 | 109.8 | L37 L76 Q77 E81 E82 L83 V114 F138 W142 | L37-L79 HydrophobicContact CD1-CD2 4.33Å; L76-L79 HydrophobicContact CD2-CB 4.47Å; L76-L79 HydrophobicContact CD2-CD2 4.03Å; L76-L79 WeakPolarHBondContact O-CB 3.48Å; L76-L79 PolarHBondContact O-N 3.09Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 2.89Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 3.46Å; L79-E82 CarbonylContact O-C 3.57Å; L79-E82 PolarHBondContact O-N 3.3Å; L79-L83 HydrophobicContact CD1-CD2 3.76Å; L79-L83 HydrophobicContact CG-CD2 4.02Å; L79-L83 WeakPolarHBondContact O-CG 3.37Å; L79-L83 PolarHBondContact O-N 2.97Å; L79-V114 HydrophobicContact CD2-CG2 3.8Å; L79-V114 HydrophobicContact CG-CG2 4.23Å; L79-F138 HydrophobicContact CD1-CE1 3.85Å; L79-F138 HydrophobicContact CD1-CZ 3.57Å; L79-W142 HydrophobicContact CB-CD2 3.99Å; L79-W142 HydrophobicContact CB-CE3 4.23Å; L79-W142 HydrophobicContact CB-CH2 3.93Å; L79-W142 HydrophobicContact CB-CZ2 3.64Å; L79-W142 HydrophobicContact CB-CZ3 4.21Å; L79-W142 HydrophobicContact CD1-CD2 4.3Å; L79-W142 HydrophobicContact CD1-CG 4.14Å; L79-W142 HydrophobicContact CD2-CD2 4.13Å; L79-W142 HydrophobicContact CD2-CE3 4.31Å; L79-W142 HydrophobicContact CD2-CG 4.28Å; L79-W142 HydrophobicContact CG-CD2 4.37Å |
| 80 | E | 95.8 | Very high | 94.1 | Very high | 47 Ų | 47 | 39.1 Ų | 39.1 | 22% | 0.22 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -51 | -49.2 | 178.5 | -172.3 | -164 | -167.6 | 0 | 0 | 111.9 | L76 Q77 E82 L83 V114 L115 K118 | L76-E80 PolarHBondContact O-N 2.98Å; Q77-E80 VanDerWaalsContact CD-OE2 3.3Å; Q77-E80 PolarHBondContact NE2-OE2 2.95Å; Q77-E80 WeakPolarHBondContact O-CB 3.41Å; Q77-E80 PolarHBondContact O-N 3.44Å; Q77-E80 PolarHBondContact OE1-OE2 3.08Å; E80-E82 PolarHBondContact O-N 3.12Å; E80-L83 WeakPolarHBondContact O-CB 3.36Å; E80-L83 PolarHBondContact O-N 3.25Å; E80-L83 VanDerWaalsContact O-N 3.15Å; E80-V114 HydrophobicContact CB-CG1 3.81Å; E80-V114 HydrophobicContact CG-CG1 4.45Å; E80-L115 VanDerWaalsContact OE1-CD2 3.24Å; E80-L115 WeakPolarHBondContact OE1-CD2 3.47Å; E80-K118 IonicContact OE1-NZ 3.5Å; E80-K118 PolarHBondContact OE1-NZ 2.86Å; E80-K118 VanDerWaalsContact OE2-CE 3.31Å; E80-K118 WeakPolarHBondContact OE2-CE 3.37Å; E80-K118 IonicContact OE2-NZ 2.65Å; E80-K118 PolarHBondContact OE2-NZ 3.17Å |
| 81 | E | 95.4 | Very high | 93.7 | Very high | 85 Ų | 85 | 40.7 Ų | 40.7 | 40% | 0.397 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.3 | -30.7 | 180 | -73.7 | 177.2 | -154.4 | 0 | 0 | 112.8 | Q77 L79 Y128 | Q77-E81 PolarHBondContact NE2-OE1 3.45Å; Q77-E81 VanDerWaalsContact NE2-OE1 3.07Å; Q77-E81 PolarHBondContact O-N 3.35Å; Q77-E81 VanDerWaalsContact O-N 3.11Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 3.46Å; E81-Y128 PolarHBondContact OE2-OH 3.14Å |
| 82 | E | 97 | Very high | 93.1 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -94.3 | -4.3 | -178.9 | -65.7 | -69 | 128.2 | 0 | 0 | 113.4 | F64 Y65 C78 L79 E80 K84 P85 L86 F138 | F64-E82 WeakPolarHBondContact CA-OE2 3.43Å; F64-E82 HydrophobicContact CD1-CB 4.36Å; F64-E82 WeakPolarHBondContact CD1-OE2 3.49Å; Y65-E82 WeakPolarHBondContact CD2-OE1 3.46Å; Y65-E82 PolarHBondContact N-OE2 2.88Å; Y65-E82 VanDerWaalsContact N-OE2 3.14Å; C78-E82 WeakPolarHBondContact O-CG 3.44Å; L79-E82 CarbonylContact O-C 3.57Å; L79-E82 PolarHBondContact O-N 3.3Å; E80-E82 PolarHBondContact O-N 3.12Å; E82-K84 PolarHBondContact O-N 3.43Å; E82-P85 WeakPolarHBondContact O-CD 3.43Å; E82-L86 WeakPolarHBondContact O-CB 3.48Å; E82-L86 PolarHBondContact O-N 3.05Å; E82-F138 HydrophobicContact CB-CE2 3.77Å; E82-F138 HydrophobicContact CB-CZ 3.64Å; E82-F138 HydrophobicContact CG-CE2 4.04Å; E82-F138 HydrophobicContact CG-CZ 4.41Å |
| 83 | L | 97.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -38.2 | -179.8 | -71 | -176 | 0 | 0 | 0 | 113 | L79 E80 L86 E87 I107 I110 N111 | L79-L83 HydrophobicContact CD1-CD2 3.76Å; L79-L83 HydrophobicContact CG-CD2 4.02Å; L79-L83 WeakPolarHBondContact O-CG 3.37Å; L79-L83 PolarHBondContact O-N 2.97Å; E80-L83 WeakPolarHBondContact O-CB 3.36Å; E80-L83 PolarHBondContact O-N 3.25Å; E80-L83 VanDerWaalsContact O-N 3.15Å; L83-L86 HydrophobicContact CD2-CD2 4.43Å; L83-L86 WeakPolarHBondContact O-CB 3.4Å; L83-L86 PolarHBondContact O-N 3.43Å; L83-E87 PolarHBondContact O-N 3.39Å; L83-I107 HydrophobicContact CB-CG2 4.19Å; L83-I110 HydrophobicContact CD1-CG2 3.92Å; L83-I110 HydrophobicContact CD2-CG2 3.57Å; L83-I110 HydrophobicContact CG-CG2 4.42Å; L83-N111 HydrophobicContact CD1-CB 3.67Å |
| 84 | K | 96 | Very high | 90.7 | Very high | 141 Ų | 141 | 42 Ų | 42 | 61% | 0.613 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -67.3 | -50 | 178 | 176.5 | -179.6 | -179.3 | -173.8 | 0 | 111.8 | E82 L86 E87 E88 | E82-K84 PolarHBondContact O-N 3.43Å; K84-L86 PolarHBondContact O-N 3.29Å; K84-E87 WeakPolarHBondContact O-CB 3.39Å; K84-E87 PolarHBondContact O-N 3.22Å; K84-E88 VanDerWaalsContact CE-OE1 3.29Å; K84-E88 WeakPolarHBondContact CE-OE1 3.48Å; K84-E88 WeakPolarHBondContact O-CG 3.4Å; K84-E88 PolarHBondContact O-N 2.98Å |
| 85 | P | 94.8 | Very high | 89.2 | Confident | 29 Ų | 29 | 40.4 Ų | 40.4 | 19% | 0.188 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -51.9 | -41.5 | 168.6 | -28.8 | 34 | 0 | 0 | 0 | 113.2 | F62 F64 E82 E88 V89 | F62-P85 HydrophobicContact CE1-CB 3.97Å; F62-P85 HydrophobicContact CZ-CB 3.88Å; F64-P85 HydrophobicContact CE1-CB 4.11Å; E82-P85 WeakPolarHBondContact O-CD 3.43Å; P85-E88 PolarHBondContact O-N 2.88Å; P85-V89 WeakPolarHBondContact O-CB 3.41Å; P85-V89 VanDerWaalsContact O-CG2 3.23Å; P85-V89 WeakPolarHBondContact O-CG2 3.32Å; P85-V89 PolarHBondContact O-N 2.93Å |
| 86 | L | 94.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -44.8 | 178.5 | 179.9 | 61.8 | 0 | 0 | 0 | 111.7 | I44 F64 E82 L83 K84 V89 L90 I107 I135 F138 L139 | I44-L86 HydrophobicContact CD1-CD2 4.24Å; F64-L86 HydrophobicContact CE1-CB 3.88Å; F64-L86 HydrophobicContact CE1-CD1 4.22Å; F64-L86 HydrophobicContact CZ-CB 4.34Å; F64-L86 HydrophobicContact CZ-CD1 3.94Å; E82-L86 WeakPolarHBondContact O-CB 3.48Å; E82-L86 PolarHBondContact O-N 3.05Å; L83-L86 HydrophobicContact CD2-CD2 4.43Å; L83-L86 WeakPolarHBondContact O-CB 3.4Å; L83-L86 PolarHBondContact O-N 3.43Å; K84-L86 PolarHBondContact O-N 3.29Å; L86-V89 PolarHBondContact O-N 3.43Å; L86-L90 HydrophobicContact CD1-CD1 4.06Å; L86-L90 HydrophobicContact CD1-CG 4.22Å; L86-L90 HydrophobicContact CG-CD1 3.9Å; L86-L90 HydrophobicContact CG-CG 4.48Å; L86-L90 WeakPolarHBondContact O-CB 3.23Å; L86-L90 VanDerWaalsContact O-CG 3.23Å; L86-L90 WeakPolarHBondContact O-CG 3.46Å; L86-L90 PolarHBondContact O-N 3.02Å; L86-I107 HydrophobicContact CD2-CD1 3.84Å; L86-I107 HydrophobicContact CG-CD1 3.98Å; L86-I135 HydrophobicContact CD1-CD1 3.52Å; L86-I135 HydrophobicContact CD1-CG1 4.02Å; L86-F138 HydrophobicContact CD2-CE1 4.23Å; L86-L139 HydrophobicContact CD2-CD2 4.42Å |
| 87 | E | 93.2 | Very high | 85.4 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 23% | 0.229 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -48.3 | 175.3 | -166.5 | -172.6 | 163 | 0 | 0 | 111.7 | L83 K84 V89 L90 N91 T103 I107 | L83-E87 PolarHBondContact O-N 3.39Å; K84-E87 WeakPolarHBondContact O-CB 3.39Å; K84-E87 PolarHBondContact O-N 3.22Å; E87-V89 VanDerWaalsContact C-N 3.33Å; E87-V89 PolarHBondContact O-N 3.16Å; E87-L90 PolarHBondContact O-N 3.3Å; E87-N91 WeakPolarHBondContact O-CB 3.29Å; E87-N91 VanDerWaalsContact O-CG 3.22Å; E87-N91 PolarHBondContact O-N 3.31Å; E87-N91 PolarHBondContact O-ND2 2.85Å; E87-T103 HydrophobicContact CG-CG2 4.34Å; E87-I107 HydrophobicContact CB-CB 4.4Å; E87-I107 HydrophobicContact CB-CG1 3.97Å; E87-I107 HydrophobicContact CB-CG2 4.16Å; E87-I107 HydrophobicContact CG-CB 4.35Å; E87-I107 HydrophobicContact CG-CG1 4.07Å; E87-I107 HydrophobicContact CG-CG2 4.48Å |
| 88 | E | 90.6 | Very high | 83.6 | Confident | 104 Ų | 104 | 53.6 Ų | 53.6 | 49% | 0.486 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 178.9 | -70.6 | 176.9 | -169.3 | 0 | 0 | 111 | K84 P85 N91 L92 | K84-E88 VanDerWaalsContact CE-OE1 3.29Å; K84-E88 WeakPolarHBondContact CE-OE1 3.48Å; K84-E88 WeakPolarHBondContact O-CG 3.4Å; K84-E88 PolarHBondContact O-N 2.98Å; P85-E88 PolarHBondContact O-N 2.88Å; E88-N91 PolarHBondContact O-N 3Å; E88-L92 WeakPolarHBondContact O-CG 3.31Å; E88-L92 PolarHBondContact O-N 3.18Å |
| 89 | V | 89.2 | Confident | 82 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 177.7 | 169.3 | 0 | 0 | 0 | 0 | 112 | M59 F62 F64 P85 L86 E87 L92 A93 I135 | M59-V89 HydrophobicContact CB-CG1 3.93Å; M59-V89 HydrophobicContact CE-CG1 4.17Å; M59-V89 HydrophobicContact CG-CG1 3.49Å; M59-V89 VanDerWaalsContact CG-CG1 3.49Å; M59-V89 HydrophobicContact SD-CG1 4.41Å; F62-V89 HydrophobicContact CB-CG1 4.49Å; F62-V89 HydrophobicContact CB-CG2 3.8Å; F62-V89 HydrophobicContact CD1-CG2 3.72Å; F62-V89 HydrophobicContact CD2-CG2 3.57Å; F62-V89 HydrophobicContact CE1-CG2 4.17Å; F62-V89 HydrophobicContact CE2-CG2 4.04Å; F62-V89 HydrophobicContact CG-CG2 3.39Å; F62-V89 HydrophobicContact CZ-CG2 4.32Å; F64-V89 HydrophobicContact CZ-CB 4.29Å; F64-V89 HydrophobicContact CZ-CG1 4.43Å; F64-V89 HydrophobicContact CZ-CG2 4.08Å; P85-V89 WeakPolarHBondContact O-CB 3.41Å; P85-V89 VanDerWaalsContact O-CG2 3.23Å; P85-V89 WeakPolarHBondContact O-CG2 3.32Å; P85-V89 PolarHBondContact O-N 2.93Å; L86-V89 PolarHBondContact O-N 3.43Å; E87-V89 VanDerWaalsContact C-N 3.33Å; E87-V89 PolarHBondContact O-N 3.16Å; V89-L92 PolarHBondContact O-N 3.37Å; V89-A93 PolarHBondContact O-N 2.87Å; V89-I135 HydrophobicContact CG1-CD1 3.71Å |
| 90 | L | 88.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 177.3 | -70.9 | 168.6 | 0 | 0 | 0 | 112.1 | I44 I48 M59 L86 E87 L92 A93 Q94 F98 L100 T103 I107 | I44-L90 HydrophobicContact CD1-CD1 4.26Å; I44-L90 HydrophobicContact CG2-CD1 4.02Å; I44-L90 HydrophobicContact CG2-CD2 3.8Å; I48-L90 HydrophobicContact CD1-CD2 4.42Å; M59-L90 HydrophobicContact CE-CD2 3.44Å; M59-L90 VanDerWaalsContact CE-CD2 3.44Å; M59-L90 HydrophobicContact CE-CG 4.34Å; L86-L90 HydrophobicContact CD1-CD1 4.06Å; L86-L90 HydrophobicContact CD1-CG 4.22Å; L86-L90 HydrophobicContact CG-CD1 3.9Å; L86-L90 HydrophobicContact CG-CG 4.48Å; L86-L90 WeakPolarHBondContact O-CB 3.23Å; L86-L90 VanDerWaalsContact O-CG 3.23Å; L86-L90 WeakPolarHBondContact O-CG 3.46Å; L86-L90 PolarHBondContact O-N 3.02Å; E87-L90 PolarHBondContact O-N 3.3Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.41Å; L90-A93 PolarHBondContact O-N 3.36Å; L90-A93 VanDerWaalsContact O-N 3.14Å; L90-Q94 PolarHBondContact O-N 3.29Å; L90-Q94 VanDerWaalsContact O-N 3.09Å; L90-F98 HydrophobicContact CD2-CE1 4.36Å; L90-F98 HydrophobicContact CD2-CZ 4.23Å; L90-L100 HydrophobicContact CD1-CD1 4.42Å; L90-L100 HydrophobicContact CD2-CD1 3.88Å; L90-T103 HydrophobicContact CB-CG2 3.44Å; L90-T103 VanDerWaalsContact CB-CG2 3.44Å; L90-T103 HydrophobicContact CD1-CG2 3.95Å; L90-T103 HydrophobicContact CG-CG2 4.34Å; L90-I107 HydrophobicContact CD1-CD1 4.01Å; L90-I107 HydrophobicContact CD1-CG1 4.43Å |
| 91 | N | 85.6 | Confident | 79.1 | Confident | 63 Ų | 63 | 68 Ų | 68 | 34% | 0.337 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.4 | -34.4 | 176.1 | -73.6 | -23.7 | 0 | 0 | 0 | 112.1 | E87 E88 A93 Q94 | E87-N91 WeakPolarHBondContact O-CB 3.29Å; E87-N91 VanDerWaalsContact O-CG 3.22Å; E87-N91 PolarHBondContact O-N 3.31Å; E87-N91 PolarHBondContact O-ND2 2.85Å; E88-N91 PolarHBondContact O-N 3Å; N91-A93 VanDerWaalsContact C-N 3.27Å; N91-A93 PolarHBondContact O-N 3.39Å; N91-Q94 WeakPolarHBondContact O-CB 3.39Å; N91-Q94 PolarHBondContact O-N 2.99Å |
| 92 | L | 79.7 | Confident | 78.3 | Confident | 137 Ų | 137 | 68.5 Ų | 68.5 | 72% | 0.717 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.5 | -32.1 | 172.6 | -69.9 | 173.9 | 0 | 0 | 0 | 112.7 | E88 V89 L90 | E88-L92 WeakPolarHBondContact O-CG 3.31Å; E88-L92 PolarHBondContact O-N 3.18Å; V89-L92 PolarHBondContact O-N 3.37Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.41Å |
| 93 | A | 71.4 | Confident | 77.8 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 2% | 0.017 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -81.1 | -16.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M59 V89 L90 N91 S95 F98 | M59-A93 HydrophobicContact SD-CB 3.45Å; M59-A93 WeakPolarHBondContact SD-CB 3.39Å; V89-A93 PolarHBondContact O-N 2.87Å; L90-A93 PolarHBondContact O-N 3.36Å; L90-A93 VanDerWaalsContact O-N 3.14Å; N91-A93 VanDerWaalsContact C-N 3.27Å; N91-A93 PolarHBondContact O-N 3.39Å; A93-S95 PolarHBondContact O-N 3.37Å; A93-F98 HydrophobicContact CB-CD1 4.35Å; A93-F98 HydrophobicContact CB-CE1 4.37Å; A93-F98 WeakPolarHBondContact O-CB 3.36Å |
| 94 | Q | 66.4 | Low | 77.4 | Confident | 93 Ų | 93 | 74 Ų | 74 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | trans | -64.8 | 95.1 | 178.6 | -152.8 | 179.2 | 35.9 | 0 | 0 | 110.1 | L90 N91 L100 | L90-Q94 PolarHBondContact O-N 3.29Å; L90-Q94 VanDerWaalsContact O-N 3.09Å; N91-Q94 WeakPolarHBondContact O-CB 3.39Å; N91-Q94 PolarHBondContact O-N 2.99Å; Q94-L100 PolarHBondContact NE2-O 3.34Å | ||
| 95 | S | 61.1 | Low | 77.2 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | trans | -102.2 | 174.2 | 164.6 | 75.2 | 0 | 0 | 0 | 0 | 108.8 | Y51 A93 N97 F98 | Y51-S95 PolarHBondContact OH-OG 2.92Å; A93-S95 PolarHBondContact O-N 3.37Å; S95-N97 PolarHBondContact O-N 3.48Å; S95-N97 PolarHBondContact OG-N 3.15Å; S95-N97 VanDerWaalsContact OG-N 3.09Å; S95-F98 PolarHBondContact O-N 2.9Å; S95-F98 VanDerWaalsContact O-N 3.09Å; S95-F98 PolarHBondContact OG-N 3.21Å | ||
| 96 | K | 56.4 | Low | 77.1 | Confident | 191 Ų | 191 | 70.7 Ų | 70.7 | 83% | 0.83 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -15.7 | 169.3 | -66.1 | -173 | 177.9 | -175.8 | 0 | 114.7 | H99 | K96-H99 PolarHBondContact O-CE1 2.81Å; K96-H99 PolarHBondContact O-NE2 3.01Å; K96-H99 VanDerWaalsContact O-NE2 3.1Å |
| 97 | N | 54 | Low | 77.1 | Confident | 125 Ų | 125 | 71 Ų | 71 | 67% | 0.668 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | -8.2 | -176.4 | -60.3 | -22.1 | 0 | 0 | 0 | 114.5 | Y51 S95 | Y51-N97 HydrophobicContact CE2-CB 3.96Å; S95-N97 PolarHBondContact O-N 3.48Å; S95-N97 PolarHBondContact OG-N 3.15Å; S95-N97 VanDerWaalsContact OG-N 3.09Å |
| 98 | F | 57.6 | Low | 77.2 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 2% | 0.022 | 34% | 0.344 | C | S | . | . | trans | -101.2 | 86.8 | 176.4 | -176.2 | -100.3 | 0 | 0 | 0 | 108.1 | G47 Y51 L90 A93 S95 L100 | G47-F98 WeakPolarHBondContact O-CE2 3.45Å; Y51-F98 HydrophobicContact CD1-CB 4.38Å; Y51-F98 AromaticContact CD1-CD2 3.79Å; Y51-F98 HydrophobicContact CD1-CD2 3.79Å; Y51-F98 HydrophobicContact CD1-CG 4.43Å; Y51-F98 HydrophobicContact CD2-CB 4.27Å; Y51-F98 HydrophobicContact CD2-CD2 4.04Å; Y51-F98 HydrophobicContact CE1-CB 4.11Å; Y51-F98 HydrophobicContact CE1-CD2 4.36Å; Y51-F98 HydrophobicContact CE2-CB 3.96Å; Y51-F98 AromaticContact CG-CD2 3.7Å; Y51-F98 HydrophobicContact CG-CD2 3.7Å; Y51-F98 HydrophobicContact CG-CE2 4.46Å; L90-F98 HydrophobicContact CD2-CE1 4.36Å; L90-F98 HydrophobicContact CD2-CZ 4.23Å; A93-F98 HydrophobicContact CB-CD1 4.35Å; A93-F98 HydrophobicContact CB-CE1 4.37Å; A93-F98 WeakPolarHBondContact O-CB 3.36Å; S95-F98 PolarHBondContact O-N 2.9Å; S95-F98 VanDerWaalsContact O-N 3.09Å; S95-F98 PolarHBondContact OG-N 3.21Å; F98-L100 HydrophobicContact CE1-CB 4.24Å; F98-L100 HydrophobicContact CE1-CD1 3.64Å; F98-L100 HydrophobicContact CE1-CG 3.78Å; F98-L100 HydrophobicContact CZ-CD1 3.73Å; F98-L100 HydrophobicContact CZ-CG 3.92Å; F98-L100 PolarHBondContact O-N 2.83Å | ||
| 99 | H | 60 | Low | 77.5 | Confident | 132 Ų | 132 | 70.4 Ų | 70.4 | 61% | 0.611 | 34% | 0.344 | S | S | * | . | trans | -94.7 | 71.1 | -179.4 | -66.1 | -60.9 | 0 | 0 | 0 | 110.9 | K96 R101 | K96-H99 PolarHBondContact O-CE1 2.81Å; K96-H99 PolarHBondContact O-NE2 3.01Å; K96-H99 VanDerWaalsContact O-NE2 3.1Å; H99-R101 HydrophobicContact CB-CG 4.47Å; H99-R101 PolarHBondContact O-N 3.48Å | ||
| 100 | L | 68.1 | Low | 77.9 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 7% | 0.073 | 34% | 0.343 | C | S | . | . | trans | -71.6 | 94.9 | 137.3 | -69 | 177.7 | 0 | 0 | 0 | 103.5 | M43 L90 Q94 F98 D102 L106 | M43-L100 HydrophobicContact CG-CD2 4.32Å; L90-L100 HydrophobicContact CD1-CD1 4.42Å; L90-L100 HydrophobicContact CD2-CD1 3.88Å; Q94-L100 PolarHBondContact NE2-O 3.34Å; F98-L100 HydrophobicContact CE1-CB 4.24Å; F98-L100 HydrophobicContact CE1-CD1 3.64Å; F98-L100 HydrophobicContact CE1-CG 3.78Å; F98-L100 HydrophobicContact CZ-CD1 3.73Å; F98-L100 HydrophobicContact CZ-CG 3.92Å; F98-L100 PolarHBondContact O-N 2.83Å; L100-D102 PolarHBondContact O-N 2.97Å; L100-L106 HydrophobicContact CD1-CD2 4.34Å; L100-L106 HydrophobicContact CD2-CD2 4.11Å | ||
| 101 | R | 64.3 | Low | 78.3 | Confident | 203 Ų | 203 | 72.8 Ų | 72.8 | 77% | 0.766 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -29.9 | -164.2 | -117.6 | 175.8 | -141.8 | -166.2 | 4.7 | 112 | H99 | H99-R101 HydrophobicContact CB-CG 4.47Å; H99-R101 PolarHBondContact O-N 3.48Å |
| 102 | D | 78.7 | Confident | 78.8 | Confident | 97 Ų | 97 | 74 Ų | 74 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.6 | 75.7 | 176.4 | -57.4 | -68.5 | 0 | 0 | 0 | 110.4 | L100 K104 D105 L106 | L100-D102 PolarHBondContact O-N 2.97Å; D102-K104 PolarHBondContact O-N 3.43Å; D102-K104 VanDerWaalsContact O-N 3.14Å; D102-D105 HydrophobicContact CB-CB 3.79Å; D102-D105 WeakPolarHBondContact CB-OD2 3.47Å; D102-D105 PolarHBondContact O-N 2.88Å; D102-L106 PolarHBondContact O-N 2.88Å |
| 103 | T | 86.5 | Confident | 79.7 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -47.1 | -42.9 | 176.2 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | E87 L90 D105 L106 I107 | E87-T103 HydrophobicContact CG-CG2 4.34Å; L90-T103 HydrophobicContact CB-CG2 3.44Å; L90-T103 VanDerWaalsContact CB-CG2 3.44Å; L90-T103 HydrophobicContact CD1-CG2 3.95Å; L90-T103 HydrophobicContact CG-CG2 4.34Å; T103-D105 PolarHBondContact O-N 3.33Å; T103-L106 PolarHBondContact O-N 2.84Å; T103-I107 HydrophobicContact CG2-CG1 4.34Å; T103-I107 WeakPolarHBondContact O-CG1 3.33Å; T103-I107 PolarHBondContact O-N 3.37Å |
| 104 | K | 90 | Very high | 80.9 | Confident | 135 Ų | 135 | 68.3 Ų | 68.3 | 59% | 0.587 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.8 | -44.2 | 179.1 | -177.3 | -179.8 | 176.5 | -175.4 | 0 | 112.4 | D102 S108 | D102-K104 PolarHBondContact O-N 3.43Å; D102-K104 VanDerWaalsContact O-N 3.14Å; K104-S108 VanDerWaalsContact O-CB 3.25Å; K104-S108 WeakPolarHBondContact O-CB 3.26Å; K104-S108 PolarHBondContact O-N 2.71Å; K104-S108 PolarHBondContact O-OG 3.48Å |
| 105 | D | 90.9 | Very high | 82.2 | Confident | 86 Ų | 86 | 67.3 Ų | 67.3 | 46% | 0.46 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.9 | -39.2 | -179.6 | -67.3 | -12 | 0 | 0 | 0 | 110.4 | D102 T103 S108 N109 | D102-D105 HydrophobicContact CB-CB 3.79Å; D102-D105 WeakPolarHBondContact CB-OD2 3.47Å; D102-D105 PolarHBondContact O-N 2.88Å; T103-D105 PolarHBondContact O-N 3.33Å; D105-S108 PolarHBondContact O-N 3.32Å; D105-N109 WeakPolarHBondContact O-CB 3.4Å; D105-N109 PolarHBondContact O-N 3.39Å; D105-N109 PolarHBondContact O-ND2 3.02Å |
| 106 | L | 92.2 | Very high | 83.8 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 7% | 0.073 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.9 | -49 | 175.3 | -175.4 | 60.6 | 0 | 0 | 0 | 111.9 | D40 M43 I44 L100 D102 T103 S108 N109 I110 | D40-L106 HydrophobicContact CB-CD1 3.81Å; D40-L106 WeakPolarHBondContact OD1-CD1 3.36Å; M43-L106 HydrophobicContact SD-CD1 4.38Å; M43-L106 HydrophobicContact SD-CD2 4.5Å; I44-L106 HydrophobicContact CD1-CD2 4.07Å; I44-L106 HydrophobicContact CD1-CG 4.36Å; I44-L106 HydrophobicContact CG1-CD2 3.44Å; I44-L106 VanDerWaalsContact CG1-CD2 3.44Å; I44-L106 HydrophobicContact CG1-CG 4.22Å; L100-L106 HydrophobicContact CD1-CD2 4.34Å; L100-L106 HydrophobicContact CD2-CD2 4.11Å; D102-L106 PolarHBondContact O-N 2.88Å; T103-L106 PolarHBondContact O-N 2.84Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 2.91Å; L106-N109 PolarHBondContact O-N 3.38Å; L106-I110 HydrophobicContact CG-CD1 4.39Å; L106-I110 WeakPolarHBondContact O-CG1 3.32Å; L106-I110 PolarHBondContact O-N 2.93Å |
| 107 | I | 95.8 | Very high | 85.6 | Confident | 6 Ų | 6 | 61.7 Ų | 61.7 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 176.9 | -64 | -63.8 | 0 | 0 | 0 | 111.2 | I44 L83 L86 E87 L90 T103 I110 N111 | I44-I107 HydrophobicContact CD1-CD1 4.21Å; L83-I107 HydrophobicContact CB-CG2 4.19Å; L86-I107 HydrophobicContact CD2-CD1 3.84Å; L86-I107 HydrophobicContact CG-CD1 3.98Å; E87-I107 HydrophobicContact CB-CB 4.4Å; E87-I107 HydrophobicContact CB-CG1 3.97Å; E87-I107 HydrophobicContact CB-CG2 4.16Å; E87-I107 HydrophobicContact CG-CB 4.35Å; E87-I107 HydrophobicContact CG-CG1 4.07Å; E87-I107 HydrophobicContact CG-CG2 4.48Å; L90-I107 HydrophobicContact CD1-CD1 4.01Å; L90-I107 HydrophobicContact CD1-CG1 4.43Å; T103-I107 HydrophobicContact CG2-CG1 4.34Å; T103-I107 WeakPolarHBondContact O-CG1 3.33Å; T103-I107 PolarHBondContact O-N 3.37Å; I107-I110 HydrophobicContact CD1-CD1 4.43Å; I107-I110 PolarHBondContact O-N 2.87Å; I107-N111 WeakPolarHBondContact O-CB 3.29Å; I107-N111 PolarHBondContact O-N 3.39Å |
| 108 | S | 95.3 | Very high | 87.4 | Confident | 51 Ų | 51 | 56.5 Ų | 56.5 | 36% | 0.357 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 176.6 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | K104 D105 L106 N111 V112 | K104-S108 VanDerWaalsContact O-CB 3.25Å; K104-S108 WeakPolarHBondContact O-CB 3.26Å; K104-S108 PolarHBondContact O-N 2.71Å; K104-S108 PolarHBondContact O-OG 3.48Å; D105-S108 PolarHBondContact O-N 3.32Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 2.91Å; S108-N111 PolarHBondContact O-N 2.86Å; S108-V112 WeakPolarHBondContact O-CG2 3.49Å; S108-V112 PolarHBondContact O-N 3.36Å |
| 109 | N | 95.3 | Very high | 88.8 | Confident | 89 Ų | 89 | 58 Ų | 58 | 48% | 0.476 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 176 | -71.5 | -17.4 | 0 | 0 | 0 | 111.5 | D105 L106 N111 V112 I113 | D105-N109 WeakPolarHBondContact O-CB 3.4Å; D105-N109 PolarHBondContact O-N 3.39Å; D105-N109 PolarHBondContact O-ND2 3.02Å; L106-N109 PolarHBondContact O-N 3.38Å; N109-N111 VanDerWaalsContact C-N 3.3Å; N109-N111 PolarHBondContact O-N 3.02Å; N109-V112 PolarHBondContact O-N 3.42Å; N109-I113 WeakPolarHBondContact O-CG1 3.23Å; N109-I113 PolarHBondContact O-N 2.97Å |
| 110 | I | 97.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.4 | -47.1 | 174.5 | -70.5 | 168.6 | 0 | 0 | 0 | 110.3 | L37 D40 I44 L83 L106 I107 V112 I113 V114 | L37-I110 HydrophobicContact CD1-CB 4.44Å; L37-I110 HydrophobicContact CD1-CG1 4.33Å; L37-I110 HydrophobicContact CD1-CG2 3.74Å; D40-I110 HydrophobicContact CB-CD1 3.92Å; D40-I110 HydrophobicContact CB-CG1 3.63Å; I44-I110 HydrophobicContact CD1-CD1 3.6Å; L83-I110 HydrophobicContact CD1-CG2 3.92Å; L83-I110 HydrophobicContact CD2-CG2 3.57Å; L83-I110 HydrophobicContact CG-CG2 4.42Å; L106-I110 HydrophobicContact CG-CD1 4.39Å; L106-I110 WeakPolarHBondContact O-CG1 3.32Å; L106-I110 PolarHBondContact O-N 2.93Å; I107-I110 HydrophobicContact CD1-CD1 4.43Å; I107-I110 PolarHBondContact O-N 2.87Å; I110-V112 PolarHBondContact O-N 3.36Å; I110-I113 PolarHBondContact O-N 3.37Å; I110-V114 HydrophobicContact CG2-CG2 4.09Å; I110-V114 WeakPolarHBondContact O-CB 3.42Å; I110-V114 VanDerWaalsContact O-CG2 3.31Å; I110-V114 WeakPolarHBondContact O-CG2 3.42Å; I110-V114 PolarHBondContact O-N 3.25Å |
| 111 | N | 97.3 | Very high | 89.8 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 29% | 0.289 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | -179 | -171.2 | 43.9 | 0 | 0 | 0 | 112 | L83 I107 S108 N109 I113 V114 L115 | L83-N111 HydrophobicContact CD1-CB 3.67Å; I107-N111 WeakPolarHBondContact O-CB 3.29Å; I107-N111 PolarHBondContact O-N 3.39Å; S108-N111 PolarHBondContact O-N 2.86Å; N109-N111 VanDerWaalsContact C-N 3.3Å; N109-N111 PolarHBondContact O-N 3.02Å; N111-I113 VanDerWaalsContact C-N 3.33Å; N111-I113 PolarHBondContact O-N 3.02Å; N111-V114 PolarHBondContact O-N 2.92Å; N111-L115 WeakPolarHBondContact O-CB 3.34Å; N111-L115 VanDerWaalsContact O-CG 3.24Å; N111-L115 WeakPolarHBondContact O-CG 3.25Å; N111-L115 PolarHBondContact O-N 3Å |
| 112 | V | 96.8 | Very high | 89.9 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 53% | 0.533 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 176.5 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | S108 N109 I110 L115 E116 | S108-V112 WeakPolarHBondContact O-CG2 3.49Å; S108-V112 PolarHBondContact O-N 3.36Å; N109-V112 PolarHBondContact O-N 3.42Å; I110-V112 PolarHBondContact O-N 3.36Å; V112-L115 PolarHBondContact O-N 3.45Å; V112-E116 PolarHBondContact O-N 3.33Å; V112-E116 VanDerWaalsContact O-N 3.12Å |
| 113 | I | 97.2 | Very high | 89.7 | Confident | 20 Ų | 20 | 57.9 Ų | 57.9 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 178.9 | -65.7 | 164.6 | 0 | 0 | 0 | 111 | Q33 H36 L37 N109 I110 N111 E116 L117 | Q33-I113 HydrophobicContact CB-CG2 4.17Å; Q33-I113 WeakPolarHBondContact O-CG2 3.32Å; H36-I113 HydrophobicContact CB-CD1 3.81Å; L37-I113 HydrophobicContact CB-CG2 3.91Å; N109-I113 WeakPolarHBondContact O-CG1 3.23Å; N109-I113 PolarHBondContact O-N 2.97Å; I110-I113 PolarHBondContact O-N 3.37Å; N111-I113 VanDerWaalsContact C-N 3.33Å; N111-I113 PolarHBondContact O-N 3.02Å; I113-E116 PolarHBondContact O-N 2.96Å; I113-L117 HydrophobicContact CG2-CD1 3.65Å; I113-L117 HydrophobicContact CG2-CG 4.19Å; I113-L117 WeakPolarHBondContact O-CB 3.25Å; I113-L117 WeakPolarHBondContact O-CG 3.4Å; I113-L117 PolarHBondContact O-N 2.86Å |
| 114 | V | 96.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -47 | 178.3 | 162.4 | 0 | 0 | 0 | 0 | 111.3 | L37 L76 L79 E80 I110 N111 E116 L117 K118 | L37-V114 HydrophobicContact CD1-CG2 4.22Å; L37-V114 HydrophobicContact CD2-CG2 4.28Å; L76-V114 HydrophobicContact CB-CG1 4.07Å; L76-V114 WeakPolarHBondContact O-CG1 3.32Å; L79-V114 HydrophobicContact CD2-CG2 3.8Å; L79-V114 HydrophobicContact CG-CG2 4.23Å; E80-V114 HydrophobicContact CB-CG1 3.81Å; E80-V114 HydrophobicContact CG-CG1 4.45Å; I110-V114 HydrophobicContact CG2-CG2 4.09Å; I110-V114 WeakPolarHBondContact O-CB 3.42Å; I110-V114 VanDerWaalsContact O-CG2 3.31Å; I110-V114 WeakPolarHBondContact O-CG2 3.42Å; I110-V114 PolarHBondContact O-N 3.25Å; N111-V114 PolarHBondContact O-N 2.92Å; V114-E116 VanDerWaalsContact C-N 3.27Å; V114-E116 PolarHBondContact O-N 3.46Å; V114-L117 PolarHBondContact O-N 3.19Å; V114-K118 WeakPolarHBondContact O-CB 3.48Å; V114-K118 WeakPolarHBondContact O-CG 3.42Å; V114-K118 PolarHBondContact O-N 3.37Å |
| 115 | L | 94.7 | Very high | 89.2 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 38% | 0.382 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.8 | -41.2 | 176.5 | -74.2 | 172.2 | 0 | 0 | 0 | 111.7 | E80 N111 V112 | E80-L115 VanDerWaalsContact OE1-CD2 3.24Å; E80-L115 WeakPolarHBondContact OE1-CD2 3.47Å; N111-L115 WeakPolarHBondContact O-CB 3.34Å; N111-L115 VanDerWaalsContact O-CG 3.24Å; N111-L115 WeakPolarHBondContact O-CG 3.25Å; N111-L115 PolarHBondContact O-N 3Å; V112-L115 PolarHBondContact O-N 3.45Å |
| 116 | E | 94 | Very high | 89.2 | Confident | 90 Ų | 90 | 57.6 Ų | 57.6 | 42% | 0.421 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.3 | -40.8 | -179.9 | -167.1 | 169.5 | 175.6 | 0 | 0 | 112.7 | K29 Q33 V112 I113 V114 | K29-E116 WeakPolarHBondContact CE-OE1 3.47Å; K29-E116 IonicContact NZ-OE1 2.61Å; K29-E116 PolarHBondContact NZ-OE1 3.19Å; Q33-E116 PolarHBondContact NE2-OE1 3.08Å; Q33-E116 PolarHBondContact NE2-OE2 2.96Å; V112-E116 PolarHBondContact O-N 3.33Å; V112-E116 VanDerWaalsContact O-N 3.12Å; I113-E116 PolarHBondContact O-N 2.96Å; V114-E116 VanDerWaalsContact C-N 3.27Å; V114-E116 PolarHBondContact O-N 3.46Å |
| 117 | L | 94.9 | Very high | 89.2 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.8 | -41.3 | -179.4 | -76.4 | 174.1 | 0 | 0 | 0 | 113.2 | T30 Q33 L34 L37 L73 L76 I113 V114 G119 | T30-L117 HydrophobicContact CG2-CD2 3.87Å; Q33-L117 HydrophobicContact CB-CD1 4.25Å; Q33-L117 HydrophobicContact CB-CD2 3.7Å; Q33-L117 HydrophobicContact CB-CG 4Å; L34-L117 HydrophobicContact CD2-CD1 3.87Å; L34-L117 HydrophobicContact CG-CD1 4.06Å; L34-L117 HydrophobicContact CG-CD2 4.13Å; L37-L117 HydrophobicContact CD2-CD1 4.06Å; L73-L117 WeakPolarHBondContact CB-O 3.5Å; L73-L117 HydrophobicContact CD2-CB 4.49Å; L73-L117 HydrophobicContact CD2-CD2 4.45Å; L76-L117 HydrophobicContact CD1-CB 3.54Å; L76-L117 HydrophobicContact CD1-CD1 3.88Å; L76-L117 HydrophobicContact CD1-CG 4.37Å; I113-L117 HydrophobicContact CG2-CD1 3.65Å; I113-L117 HydrophobicContact CG2-CG 4.19Å; I113-L117 WeakPolarHBondContact O-CB 3.25Å; I113-L117 WeakPolarHBondContact O-CG 3.4Å; I113-L117 PolarHBondContact O-N 2.86Å; V114-L117 PolarHBondContact O-N 3.19Å; L117-G119 VanDerWaalsContact C-N 3.25Å; L117-G119 PolarHBondContact O-N 3.01Å |
| 118 | K | 91.9 | Very high | 89.1 | Confident | 17 Ų | 17 | 66.6 Ų | 66.6 | 7% | 0.074 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -72.4 | -21.2 | -178.9 | 76.5 | -179.2 | 174.8 | 133.5 | 0 | 112.9 | L76 E80 V114 | L76-K118 HydrophobicContact CB-CB 4.28Å; E80-K118 IonicContact OE1-NZ 3.5Å; E80-K118 PolarHBondContact OE1-NZ 2.86Å; E80-K118 VanDerWaalsContact OE2-CE 3.31Å; E80-K118 WeakPolarHBondContact OE2-CE 3.37Å; E80-K118 IonicContact OE2-NZ 2.65Å; E80-K118 PolarHBondContact OE2-NZ 3.17Å; V114-K118 WeakPolarHBondContact O-CB 3.48Å; V114-K118 WeakPolarHBondContact O-CG 3.42Å; V114-K118 PolarHBondContact O-N 3.37Å |
| 119 | G | 86.5 | Confident | 89.1 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 38% | 0.381 | 36% | 0.362 | S | S | . | . | trans | 79 | -168.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L117 E121 | L117-G119 VanDerWaalsContact C-N 3.25Å; L117-G119 PolarHBondContact O-N 3.01Å; G119-E121 VanDerWaalsContact C-N 3.29Å; G119-E121 PolarHBondContact O-N 3.17Å | ||
| 120 | S | 79.1 | Confident | 88.9 | Confident | 117 Ų | 117 | 68.6 Ų | 68.6 | 82% | 0.818 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -80.2 | -6.7 | -177.4 | 52 | 0 | 0 | 0 | 0 | 114.3 | T122 | S120-T122 PolarHBondContact O-N 3.22Š|
| 121 | E | 69.1 | Low | 88.7 | Confident | 116 Ų | 116 | 75.7 Ų | 75.7 | 54% | 0.542 | 41% | 0.413 | S | S | . | . | trans | -73.8 | 93.5 | 179.7 | -166.6 | 172.7 | -174.4 | 0 | 0 | 109.9 | G119 T123 | G119-E121 VanDerWaalsContact C-N 3.29Å; G119-E121 PolarHBondContact O-N 3.17Å; E121-T123 WeakPolarHBondContact CG-OG1 3.43Å | ||
| 122 | T | 66.9 | Low | 88.6 | Confident | 101 Ų | 101 | 75.6 Ų | 75.6 | 62% | 0.62 | 41% | 0.414 | S | S | * | . | trans | -90.7 | -0.2 | 178.1 | 49.6 | 0 | 0 | 0 | 0 | 113 | S120 L124 | S120-T122 PolarHBondContact O-N 3.22Å; T122-L124 VanDerWaalsContact C-N 3.3Å; T122-L124 PolarHBondContact O-N 2.7Å | ||
| 123 | T | 74.6 | Confident | 88.5 | Confident | 108 Ų | 108 | 71.5 Ų | 71.5 | 66% | 0.663 | 39% | 0.389 | S | S | * | . | trans | -83.2 | -4.4 | -173.5 | 47.6 | 0 | 0 | 0 | 0 | 113.9 | E121 M125 | E121-T123 WeakPolarHBondContact CG-OG1 3.43Å; T123-M125 PolarHBondContact O-N 3.27Å | ||
| 124 | L | 78.9 | Confident | 88.3 | Confident | 32 Ų | 32 | 72 Ų | 72 | 17% | 0.168 | 39% | 0.394 | C | S | . | . | trans | -73.3 | 110.8 | 177.1 | -172.1 | 134.2 | 0 | 0 | 0 | 109.6 | K74 Q77 T122 | K74-L124 HydrophobicContact CB-CD1 3.95Å; K74-L124 HydrophobicContact CD-CD1 3.51Å; K74-L124 HydrophobicContact CG-CD1 3.54Å; Q77-L124 HydrophobicContact CB-CD2 3.99Å; Q77-L124 HydrophobicContact CG-CD2 4.29Å; Q77-L124 WeakPolarHBondContact CG-O 3.23Å; T122-L124 VanDerWaalsContact C-N 3.3Å; T122-L124 PolarHBondContact O-N 2.7Å | ||
| 125 | M | 87.2 | Confident | 88.1 | Confident | 168 Ų | 168 | 72 Ų | 72 | 83% | 0.828 | 39% | 0.394 | S | S | * | . | trans | -79.4 | 133.5 | 165 | -60.9 | -141.6 | 91.4 | 0 | 0 | 109.1 | T123 E127 | T123-M125 PolarHBondContact O-N 3.27Å; M125-E127 PolarHBondContact O-N 3.24Å | ||
| 126 | C | 90.5 | Very high | 88.1 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | trans | -70.1 | 115.1 | 177.2 | -74.7 | 0 | 0 | 0 | 0 | 111.8 | C78 Y128 | C78-C126 WeakPolarHBondContact CA-SG 3.34Å; C78-C126 HydrophobicContact CB-CB 3.97Å; C78-C126 WeakPolarHBondContact CB-SG 3.5Å; C78-C126 PolarHBondContact N-SG 3.13Å; C78-C126 WeakPolarHBondContact SG-CB 3.23Å; C78-C126 CovalentContact SG-SG 2.04Å; C78-C126 PolarHBondContact SG-SG 3.35Å; C126-Y128 HydrophobicContact CB-CD1 4.22Å; C126-Y128 HydrophobicContact CB-CD2 4.17Å; C126-Y128 HydrophobicContact CB-CE1 3.64Å; C126-Y128 HydrophobicContact CB-CE2 3.55Å; C126-Y128 HydrophobicContact CB-CG 4.47Å; C126-Y128 WeakPolarHBondContact CB-OH 3.25Å; C126-Y128 WeakPolarHBondContact O-CD2 3.42Å; C126-Y128 PolarHBondContact O-N 3.3Å; C126-Y128 VanDerWaalsContact O-N 3.12Å | ||
| 127 | E | 92.9 | Very high | 88.1 | Confident | 146 Ų | 146 | 70.3 Ų | 70.3 | 68% | 0.682 | 39% | 0.387 | S | S | * | . | trans | -79.1 | 89.3 | 169.2 | -68.6 | -174.5 | -166.4 | 0 | 0 | 109.7 | P67 K68 M125 | P67-E127 CarbonylContact C-O 3.51Å; P67-E127 VanDerWaalsContact CA-O 3.32Å; P67-E127 WeakPolarHBondContact CA-O 3.43Å; K68-E127 PolarHBondContact N-O 2.81Å; M125-E127 PolarHBondContact O-N 3.24Å | ||
| 128 | Y | 94.6 | Very high | 88.2 | Confident | 63 Ų | 63 | 69.8 Ų | 69.8 | 25% | 0.247 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -70.6 | 143.1 | -178.9 | -64.2 | -63.1 | 0 | 0 | 0 | 113 | Y65 M66 K68 C78 E81 C126 | Y65-Y128 VanDerWaalsContact CB-CD1 3.46Å; Y65-Y128 HydrophobicContact CD1-CG 4.47Å; Y65-Y128 HydrophobicContact CG-CD1 4.43Å; M66-Y128 CarbonylContact O-C 3.52Å; M66-Y128 WeakPolarHBondContact O-CA 3.44Å; K68-Y128 WeakPolarHBondContact CE-O 3.45Å; K68-Y128 WeakPolarHBondContact CG-O 3.4Å; C78-Y128 HydrophobicContact CB-CE1 4.26Å; E81-Y128 PolarHBondContact OE2-OH 3.14Å; C126-Y128 HydrophobicContact CB-CD1 4.22Å; C126-Y128 HydrophobicContact CB-CD2 4.17Å; C126-Y128 HydrophobicContact CB-CE1 3.64Å; C126-Y128 HydrophobicContact CB-CE2 3.55Å; C126-Y128 HydrophobicContact CB-CG 4.47Å; C126-Y128 WeakPolarHBondContact CB-OH 3.25Å; C126-Y128 WeakPolarHBondContact O-CD2 3.42Å; C126-Y128 PolarHBondContact O-N 3.3Å; C126-Y128 VanDerWaalsContact O-N 3.12Å |
| 129 | A | 94.3 | Very high | 88.5 | Confident | 25 Ų | 25 | 69 Ų | 69 | 21% | 0.207 | 38% | 0.38 | C | S | . | . | trans | -68.1 | 153.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | M66 K68 E131 | M66-A129 PolarHBondContact O-N 3.36Å; K68-A129 HydrophobicContact CG-CB 4.2Å; A129-E131 PolarHBondContact O-N 3.01Å | ||
| 130 | D | 91.6 | Very high | 89 | Confident | 157 Ų | 157 | 70.4 Ų | 70.4 | 84% | 0.84 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -67.3 | -24.7 | 178.3 | -56.2 | -38.9 | 0 | 0 | 0 | 111.6 | ||
| 131 | E | 92.6 | Very high | 89.9 | Confident | 149 Ų | 149 | 70.3 Ų | 70.3 | 70% | 0.696 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -97 | 128.5 | 177.8 | -64.9 | -178.5 | 178.5 | 0 | 0 | 112 | A129 | A129-E131 PolarHBondContact O-N 3.01Š|
| 132 | T | 95 | Very high | 91.3 | Very high | 52 Ų | 52 | 64.9 Ų | 64.9 | 32% | 0.319 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 148.6 | 171 | 60 | 0 | 0 | 0 | 0 | 112.1 | K63 F64 Y65 | K63-T132 HydrophobicContact CB-CG2 4.17Å; K63-T132 WeakPolarHBondContact CB-OG1 3.38Å; K63-T132 WeakPolarHBondContact CD-OG1 3.46Å; K63-T132 WeakPolarHBondContact CG-OG1 3.19Å; F64-T132 CarbonylContact O-C 3.52Å; F64-T132 WeakPolarHBondContact O-CA 3.4Å; F64-T132 WeakPolarHBondContact O-CB 3.29Å; Y65-T132 HydrophobicContact CD1-CG2 4.19Å; Y65-T132 HydrophobicContact CE1-CG2 4.13Å |
| 133 | A | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 2% | 0.017 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -96.1 | 145.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K63 F64 M66 E137 F138 | K63-A133 WeakPolarHBondContact CA-O 3.35Å; F64-A133 PolarHBondContact N-O 3.1Å; F64-A133 PolarHBondContact O-N 3.49Å; M66-A133 HydrophobicContact CG-CB 3.71Å; A133-E137 HydrophobicContact CB-CB 3.92Å; A133-F138 HydrophobicContact CB-CB 4.15Å |
| 134 | T | 93.6 | Very high | 93.9 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -66 | 163.5 | 159.7 | 61.2 | 0 | 0 | 0 | 0 | 110.3 | V136 E137 F138 | T134-V136 PolarHBondContact O-N 3.47Å; T134-E137 WeakPolarHBondContact CB-OE2 3.33Å; T134-E137 PolarHBondContact N-OE2 3.01Å; T134-E137 PolarHBondContact O-N 3.04Å; T134-E137 VanDerWaalsContact O-N 3.15Å; T134-E137 VanDerWaalsContact OG1-CD 3.23Å; T134-E137 WeakPolarHBondContact OG1-CG 3.47Å; T134-E137 PolarHBondContact OG1-N 3.35Å; T134-E137 PolarHBondContact OG1-OE2 3.35Å; T134-F138 WeakPolarHBondContact O-CB 3.23Å; T134-F138 PolarHBondContact O-N 3.41Å |
| 135 | I | 92.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.3 | -37 | 178.1 | -167.3 | 153.5 | 0 | 0 | 0 | 113.6 | I48 M59 L60 F64 L86 V89 L139 | I48-I135 HydrophobicContact CD1-CD1 3.8Å; I48-I135 HydrophobicContact CD1-CG1 3.77Å; I48-I135 HydrophobicContact CD1-CG2 4.24Å; M59-I135 HydrophobicContact CE-CD1 3.27Å; M59-I135 HydrophobicContact CE-CG1 4.36Å; M59-I135 HydrophobicContact CG-CD1 4.25Å; M59-I135 HydrophobicContact CG-CG2 4.34Å; L60-I135 HydrophobicContact CD2-CG2 3.84Å; F64-I135 HydrophobicContact CD2-CB 4.33Å; F64-I135 HydrophobicContact CE2-CB 3.69Å; F64-I135 HydrophobicContact CE2-CD1 4.03Å; F64-I135 HydrophobicContact CE2-CG1 3.9Å; F64-I135 HydrophobicContact CZ-CD1 4.08Å; F64-I135 HydrophobicContact CZ-CG1 4.32Å; L86-I135 HydrophobicContact CD1-CD1 3.52Å; L86-I135 HydrophobicContact CD1-CG1 4.02Å; V89-I135 HydrophobicContact CG1-CD1 3.71Å; I135-L139 HydrophobicContact CG1-CD1 4.04Å; I135-L139 HydrophobicContact CG1-CG 4.42Å; I135-L139 WeakPolarHBondContact O-CB 3.35Å; I135-L139 VanDerWaalsContact O-CG 3.23Å; I135-L139 WeakPolarHBondContact O-CG 3.29Å; I135-L139 PolarHBondContact O-N 3.19Å |
| 136 | V | 92.9 | Very high | 95.4 | Very high | 39 Ų | 39 | 50.2 Ų | 50.2 | 24% | 0.236 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.1 | -43.9 | 179.2 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | L45 I48 L60 T134 N140 | L45-V136 HydrophobicContact CD1-CG1 4.16Å; L45-V136 HydrophobicContact CD1-CG2 4.48Å; I48-V136 HydrophobicContact CG2-CG2 4.23Å; L60-V136 HydrophobicContact CD2-CG2 4.1Å; T134-V136 PolarHBondContact O-N 3.47Å; V136-N140 WeakPolarHBondContact CG1-ND2 3.49Å; V136-N140 WeakPolarHBondContact O-CB 3.41Å; V136-N140 PolarHBondContact O-N 3.07Å; V136-N140 PolarHBondContact O-ND2 3.09Å |
| 137 | E | 95.3 | Very high | 95.7 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 176.2 | -70.8 | 161.8 | 157.5 | 0 | 0 | 111.6 | A133 T134 N140 R141 | A133-E137 HydrophobicContact CB-CB 3.92Å; T134-E137 WeakPolarHBondContact CB-OE2 3.33Å; T134-E137 PolarHBondContact N-OE2 3.01Å; T134-E137 PolarHBondContact O-N 3.04Å; T134-E137 VanDerWaalsContact O-N 3.15Å; T134-E137 VanDerWaalsContact OG1-CD 3.23Å; T134-E137 WeakPolarHBondContact OG1-CG 3.47Å; T134-E137 PolarHBondContact OG1-N 3.35Å; T134-E137 PolarHBondContact OG1-OE2 3.35Å; E137-N140 PolarHBondContact O-N 3.14Å; E137-R141 WeakPolarHBondContact O-CB 3.35Å; E137-R141 VanDerWaalsContact O-CG 3.29Å; E137-R141 WeakPolarHBondContact O-CG 3.35Å; E137-R141 PolarHBondContact O-N 3.33Å |
| 138 | F | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57 | -54 | 176.9 | 176.9 | -95.6 | 0 | 0 | 0 | 111 | F64 M66 L79 E82 L86 A133 T134 N140 R141 W142 | F64-F138 HydrophobicContact CB-CB 4.08Å; F64-F138 HydrophobicContact CB-CD2 3.43Å; F64-F138 VanDerWaalsContact CB-CD2 3.43Å; F64-F138 HydrophobicContact CB-CE2 4Å; F64-F138 HydrophobicContact CB-CG 3.85Å; F64-F138 HydrophobicContact CD1-CD1 4.47Å; F64-F138 HydrophobicContact CD1-CD2 4.28Å; F64-F138 HydrophobicContact CD1-CE2 4.32Å; F64-F138 HydrophobicContact CD1-CG 4.35Å; F64-F138 HydrophobicContact CD1-CZ 4.44Å; F64-F138 HydrophobicContact CD2-CB 4.21Å; F64-F138 HydrophobicContact CD2-CG 4.35Å; F64-F138 HydrophobicContact CG-CB 4.19Å; F64-F138 HydrophobicContact CG-CD1 4.41Å; F64-F138 AromaticContact CG-CD2 3.93Å; F64-F138 HydrophobicContact CG-CD2 3.93Å; F64-F138 HydrophobicContact CG-CE2 4.4Å; F64-F138 AromaticContact CG-CG 3.92Å; F64-F138 HydrophobicContact CG-CG 3.92Å; M66-F138 HydrophobicContact CG-CD2 4.36Å; M66-F138 HydrophobicContact SD-CD2 3.52Å; M66-F138 VanDerWaalsContact SD-CD2 3.52Å; M66-F138 HydrophobicContact SD-CE2 4.01Å; M66-F138 HydrophobicContact SD-CG 4.4Å; L79-F138 HydrophobicContact CD1-CE1 3.85Å; L79-F138 HydrophobicContact CD1-CZ 3.57Å; E82-F138 HydrophobicContact CB-CE2 3.77Å; E82-F138 HydrophobicContact CB-CZ 3.64Å; E82-F138 HydrophobicContact CG-CE2 4.04Å; E82-F138 HydrophobicContact CG-CZ 4.41Å; L86-F138 HydrophobicContact CD2-CE1 4.23Å; A133-F138 HydrophobicContact CB-CB 4.15Å; T134-F138 WeakPolarHBondContact O-CB 3.23Å; T134-F138 PolarHBondContact O-N 3.41Å; F138-N140 PolarHBondContact O-N 2.95Å; F138-R141 PolarHBondContact O-N 3.04Å; F138-W142 AromaticContact CD2-NE1 3.78Å; F138-W142 AromaticContact CE1-CD1 3.72Å; F138-W142 AromaticContact CE1-NE1 3.97Å; F138-W142 AromaticContact CE2-CD1 3.75Å; F138-W142 AromaticContact CE2-NE1 3.21Å; F138-W142 AromaticContact CZ-CD1 3.59Å; F138-W142 AromaticContact CZ-NE1 3.32Å; F138-W142 VanDerWaalsContact CZ-NE1 3.32Å; F138-W142 VanDerWaalsContact O-CD1 3.22Å; F138-W142 PolarHBondContact O-N 3.48Å |
| 139 | L | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 179.6 | -68.2 | 169.5 | 0 | 0 | 0 | 111.9 | L41 I44 L45 I48 L86 I135 R141 W142 I143 | L41-L139 HydrophobicContact CD2-CD2 3.89Å; I44-L139 HydrophobicContact CB-CD1 4.26Å; I44-L139 HydrophobicContact CB-CD2 4.31Å; I44-L139 HydrophobicContact CG2-CD1 3.63Å; I44-L139 HydrophobicContact CG2-CD2 4.09Å; L45-L139 HydrophobicContact CB-CB 4.46Å; L45-L139 HydrophobicContact CB-CD1 4.12Å; L45-L139 HydrophobicContact CD1-CB 4.42Å; L45-L139 HydrophobicContact CD1-CD1 4.29Å; I48-L139 HydrophobicContact CD1-CD1 3.53Å; L86-L139 HydrophobicContact CD2-CD2 4.42Å; I135-L139 HydrophobicContact CG1-CD1 4.04Å; I135-L139 HydrophobicContact CG1-CG 4.42Å; I135-L139 WeakPolarHBondContact O-CB 3.35Å; I135-L139 VanDerWaalsContact O-CG 3.23Å; I135-L139 WeakPolarHBondContact O-CG 3.29Å; I135-L139 PolarHBondContact O-N 3.19Å; L139-R141 VanDerWaalsContact C-N 3.32Å; L139-R141 PolarHBondContact O-N 2.94Å; L139-W142 PolarHBondContact O-N 3.24Å; L139-I143 WeakPolarHBondContact O-CB 3.45Å; L139-I143 WeakPolarHBondContact O-CD1 3.31Å; L139-I143 VanDerWaalsContact O-CG1 3.25Å; L139-I143 WeakPolarHBondContact O-CG1 3.44Å; L139-I143 PolarHBondContact O-N 3Å |
| 140 | N | 97.7 | Very high | 96.1 | Very high | 66 Ų | 66 | 47.4 Ų | 47.4 | 35% | 0.353 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.5 | -41.2 | 179.1 | -81.3 | -49.8 | 0 | 0 | 0 | 112.2 | L45 V136 E137 F138 I143 T144 | L45-N140 WeakPolarHBondContact CD2-OD1 3.4Å; V136-N140 WeakPolarHBondContact CG1-ND2 3.49Å; V136-N140 WeakPolarHBondContact O-CB 3.41Å; V136-N140 PolarHBondContact O-N 3.07Å; V136-N140 PolarHBondContact O-ND2 3.09Å; E137-N140 PolarHBondContact O-N 3.14Å; F138-N140 PolarHBondContact O-N 2.95Å; N140-I143 PolarHBondContact O-N 3.5Å; N140-T144 PolarHBondContact O-N 3.13Å; N140-T144 PolarHBondContact O-OG1 3.48Å; N140-T144 VanDerWaalsContact O-OG1 3.08Å |
| 141 | R | 97.8 | Very high | 96.2 | Very high | 116 Ų | 116 | 44 Ų | 44 | 44% | 0.438 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.1 | -40.5 | 178.7 | -72.2 | 179.6 | -176.3 | -161 | 4.1 | 112 | M66 E137 F138 L139 T144 F145 | M66-R141 HydrophobicContact CE-CB 3.56Å; M66-R141 HydrophobicContact CE-CG 4.24Å; M66-R141 HydrophobicContact SD-CB 4.4Å; E137-R141 WeakPolarHBondContact O-CB 3.35Å; E137-R141 VanDerWaalsContact O-CG 3.29Å; E137-R141 WeakPolarHBondContact O-CG 3.35Å; E137-R141 PolarHBondContact O-N 3.33Å; F138-R141 PolarHBondContact O-N 3.04Å; L139-R141 VanDerWaalsContact C-N 3.32Å; L139-R141 PolarHBondContact O-N 2.94Å; R141-T144 PolarHBondContact O-N 3.19Å; R141-F145 WeakPolarHBondContact O-CB 3.25Å; R141-F145 PolarHBondContact O-N 3.38Å |
| 142 | W | 98.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.7 | -34 | 175 | -72.6 | 115.1 | 0 | 0 | 0 | 113.3 | L41 P67 A70 H75 L76 C78 L79 F138 L139 F145 C146 | L41-W142 HydrophobicContact CD1-CB 3.77Å; P67-W142 HydrophobicContact CG-CH2 4.21Å; P67-W142 HydrophobicContact CG-CZ2 4.23Å; A70-W142 HydrophobicContact CB-CH2 4.41Å; A70-W142 HydrophobicContact CB-CZ3 4.3Å; H75-W142 VanDerWaalsContact O-CH2 3.28Å; H75-W142 WeakPolarHBondContact O-CH2 3.48Å; L76-W142 HydrophobicContact CD2-CE3 4.05Å; L76-W142 HydrophobicContact CD2-CZ3 3.86Å; C78-W142 HydrophobicContact CB-CH2 4.29Å; C78-W142 HydrophobicContact CB-CZ2 4.15Å; L79-W142 HydrophobicContact CB-CD2 3.99Å; L79-W142 HydrophobicContact CB-CE3 4.23Å; L79-W142 HydrophobicContact CB-CH2 3.93Å; L79-W142 HydrophobicContact CB-CZ2 3.64Å; L79-W142 HydrophobicContact CB-CZ3 4.21Å; L79-W142 HydrophobicContact CD1-CD2 4.3Å; L79-W142 HydrophobicContact CD1-CG 4.14Å; L79-W142 HydrophobicContact CD2-CD2 4.13Å; L79-W142 HydrophobicContact CD2-CE3 4.31Å; L79-W142 HydrophobicContact CD2-CG 4.28Å; L79-W142 HydrophobicContact CG-CD2 4.37Å; F138-W142 AromaticContact CD2-NE1 3.78Å; F138-W142 AromaticContact CE1-CD1 3.72Å; F138-W142 AromaticContact CE1-NE1 3.97Å; F138-W142 AromaticContact CE2-CD1 3.75Å; F138-W142 AromaticContact CE2-NE1 3.21Å; F138-W142 AromaticContact CZ-CD1 3.59Å; F138-W142 AromaticContact CZ-NE1 3.32Å; F138-W142 VanDerWaalsContact CZ-NE1 3.32Å; F138-W142 VanDerWaalsContact O-CD1 3.22Å; F138-W142 PolarHBondContact O-N 3.48Å; L139-W142 PolarHBondContact O-N 3.24Å; W142-F145 HydrophobicContact CE3-CB 4.15Å; W142-F145 AromaticContact CE3-CD1 3.93Å; W142-F145 HydrophobicContact CE3-CD1 3.93Å; W142-F145 HydrophobicContact CE3-CG 4.03Å; W142-F145 HydrophobicContact CZ3-CD1 4.12Å; W142-F145 HydrophobicContact CZ3-CD2 4.49Å; W142-F145 HydrophobicContact CZ3-CE1 4.43Å; W142-F145 HydrophobicContact CZ3-CG 4.16Å; W142-F145 WeakPolarHBondContact O-CB 3.4Å; W142-F145 PolarHBondContact O-N 3.36Å; W142-C146 PolarHBondContact O-N 3.42Å; W142-C146 PolarHBondContact O-SG 3.36Å |
| 143 | I | 98.6 | Very high | 95.9 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -49.6 | 170.8 | -75.5 | 165.5 | 0 | 0 | 0 | 110.2 | L38 L41 Q42 L45 L139 N140 F145 C146 Q147 | L38-I143 HydrophobicContact CD1-CB 4.18Å; L38-I143 HydrophobicContact CD1-CG1 4.22Å; L38-I143 HydrophobicContact CD1-CG2 3.71Å; L41-I143 HydrophobicContact CB-CD1 4.25Å; L41-I143 HydrophobicContact CB-CG1 3.73Å; L41-I143 HydrophobicContact CD1-CG1 4.41Å; Q42-I143 HydrophobicContact CG-CD1 3.94Å; Q42-I143 HydrophobicContact CG-CG1 4.26Å; L45-I143 HydrophobicContact CB-CD1 4.34Å; L45-I143 HydrophobicContact CD2-CD1 3.71Å; L139-I143 WeakPolarHBondContact O-CB 3.45Å; L139-I143 WeakPolarHBondContact O-CD1 3.31Å; L139-I143 VanDerWaalsContact O-CG1 3.25Å; L139-I143 WeakPolarHBondContact O-CG1 3.44Å; L139-I143 PolarHBondContact O-N 3Å; N140-I143 PolarHBondContact O-N 3.5Å; I143-F145 VanDerWaalsContact C-N 3.31Å; I143-F145 PolarHBondContact O-N 3.21Å; I143-C146 PolarHBondContact O-N 3.46Å; I143-Q147 WeakPolarHBondContact O-CG 3.5Å; I143-Q147 PolarHBondContact O-N 3.18Å |
| 144 | T | 98.2 | Very high | 94.9 | Very high | 82 Ų | 82 | 48.8 Ų | 48.8 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 176.3 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | N140 R141 Q147 S148 | N140-T144 PolarHBondContact O-N 3.13Å; N140-T144 PolarHBondContact O-OG1 3.48Å; N140-T144 VanDerWaalsContact O-OG1 3.08Å; R141-T144 PolarHBondContact O-N 3.19Å; T144-Q147 PolarHBondContact O-N 3.39Å; T144-S148 WeakPolarHBondContact O-CB 3.26Å; T144-S148 PolarHBondContact O-N 2.84Å |
| 145 | F | 98.2 | Very high | 95 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.5 | -52.5 | 172.3 | 170.6 | -92.2 | 0 | 0 | 0 | 111.3 | A70 E72 L76 R141 W142 I143 Q147 S148 I149 | A70-F145 HydrophobicContact CB-CD2 3.75Å; A70-F145 HydrophobicContact CB-CE2 4.1Å; A70-F145 WeakPolarHBondContact O-CD2 3.49Å; E72-F145 WeakPolarHBondContact O-CZ 3.39Å; L76-F145 HydrophobicContact CD1-CE1 4.29Å; L76-F145 HydrophobicContact CD2-CD1 4.08Å; L76-F145 HydrophobicContact CD2-CE1 3.58Å; L76-F145 HydrophobicContact CD2-CZ 4.37Å; L76-F145 HydrophobicContact CG-CE1 3.78Å; L76-F145 HydrophobicContact CG-CZ 4.17Å; R141-F145 WeakPolarHBondContact O-CB 3.25Å; R141-F145 PolarHBondContact O-N 3.38Å; W142-F145 HydrophobicContact CE3-CB 4.15Å; W142-F145 AromaticContact CE3-CD1 3.93Å; W142-F145 HydrophobicContact CE3-CD1 3.93Å; W142-F145 HydrophobicContact CE3-CG 4.03Å; W142-F145 HydrophobicContact CZ3-CD1 4.12Å; W142-F145 HydrophobicContact CZ3-CD2 4.49Å; W142-F145 HydrophobicContact CZ3-CE1 4.43Å; W142-F145 HydrophobicContact CZ3-CG 4.16Å; W142-F145 WeakPolarHBondContact O-CB 3.4Å; W142-F145 PolarHBondContact O-N 3.36Å; I143-F145 VanDerWaalsContact C-N 3.31Å; I143-F145 PolarHBondContact O-N 3.21Å; F145-Q147 VanDerWaalsContact C-N 3.35Å; F145-Q147 PolarHBondContact O-N 2.95Å; F145-S148 PolarHBondContact O-N 2.82Å; F145-I149 HydrophobicContact CD1-CG1 4.49Å; F145-I149 HydrophobicContact CD2-CG1 4.43Å; F145-I149 HydrophobicContact CE1-CG1 4.05Å; F145-I149 HydrophobicContact CE2-CD1 4.14Å; F145-I149 HydrophobicContact CE2-CG1 4.02Å; F145-I149 HydrophobicContact CZ-CD1 4.23Å; F145-I149 HydrophobicContact CZ-CG1 3.82Å; F145-I149 WeakPolarHBondContact O-CG1 3.18Å; F145-I149 PolarHBondContact O-N 3.24Å |
| 146 | C | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.9 | -47 | -179.7 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | L38 W142 I143 S148 I149 I150 | L38-C146 HydrophobicContact CB-CB 4.06Å; L38-C146 HydrophobicContact CD1-CB 4.28Å; W142-C146 PolarHBondContact O-N 3.42Å; W142-C146 PolarHBondContact O-SG 3.36Å; I143-C146 PolarHBondContact O-N 3.46Å; C146-S148 VanDerWaalsContact C-N 3.34Å; C146-S148 PolarHBondContact O-N 3.13Å; C146-I149 PolarHBondContact O-N 3.11Å; C146-I150 WeakPolarHBondContact O-CD1 3.34Å; C146-I150 VanDerWaalsContact O-CG1 3.23Å; C146-I150 WeakPolarHBondContact O-CG1 3.06Å; C146-I150 PolarHBondContact O-N 3.13Å |
| 147 | Q | 98 | Very high | 95.2 | Very high | 82 Ų | 82 | 52.9 Ų | 52.9 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58 | -46.1 | 176.9 | -70.8 | 169.4 | -24.6 | 0 | 0 | 111.7 | L38 I143 T144 F145 I149 I150 S151 | L38-Q147 HydrophobicContact CD1-CG 4.09Å; L38-Q147 HydrophobicContact CD2-CG 4.09Å; I143-Q147 WeakPolarHBondContact O-CG 3.5Å; I143-Q147 PolarHBondContact O-N 3.18Å; T144-Q147 PolarHBondContact O-N 3.39Å; F145-Q147 VanDerWaalsContact C-N 3.35Å; F145-Q147 PolarHBondContact O-N 2.95Å; Q147-I149 PolarHBondContact O-N 3.39Å; Q147-I150 PolarHBondContact O-N 2.83Å; Q147-S151 PolarHBondContact O-N 3.32Å; Q147-S151 PolarHBondContact O-OG 2.92Å; Q147-S151 VanDerWaalsContact O-OG 3.09Å |
| 148 | S | 97.3 | Very high | 95.2 | Very high | 71 Ų | 71 | 50.9 Ų | 50.9 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 179.1 | -174.8 | 0 | 0 | 0 | 0 | 112 | T144 F145 C146 T152 | T144-S148 WeakPolarHBondContact O-CB 3.26Å; T144-S148 PolarHBondContact O-N 2.84Å; F145-S148 PolarHBondContact O-N 2.82Å; C146-S148 VanDerWaalsContact C-N 3.34Å; C146-S148 PolarHBondContact O-N 3.13Å; S148-T152 WeakPolarHBondContact O-CG2 3.36Å; S148-T152 PolarHBondContact O-N 2.81Å |
| 149 | I | 96.2 | Very high | 95.1 | Very high | 16 Ų | 16 | 54.1 Ų | 54.1 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68 | -46.2 | 178.2 | -57.3 | -62.7 | 0 | 0 | 0 | 110.2 | L34 T71 L73 F145 C146 Q147 S151 T152 L153 | L34-I149 HydrophobicContact CD1-CB 3.97Å; L34-I149 HydrophobicContact CD1-CG2 3.43Å; L34-I149 VanDerWaalsContact CD1-CG2 3.43Å; L34-I149 HydrophobicContact CD2-CB 4.49Å; T71-I149 WeakPolarHBondContact O-CD1 2.91Å; L73-I149 HydrophobicContact CD2-CG2 4.14Å; F145-I149 HydrophobicContact CD1-CG1 4.49Å; F145-I149 HydrophobicContact CD2-CG1 4.43Å; F145-I149 HydrophobicContact CE1-CG1 4.05Å; F145-I149 HydrophobicContact CE2-CD1 4.14Å; F145-I149 HydrophobicContact CE2-CG1 4.02Å; F145-I149 HydrophobicContact CZ-CD1 4.23Å; F145-I149 HydrophobicContact CZ-CG1 3.82Å; F145-I149 WeakPolarHBondContact O-CG1 3.18Å; F145-I149 PolarHBondContact O-N 3.24Å; C146-I149 PolarHBondContact O-N 3.11Å; Q147-I149 PolarHBondContact O-N 3.39Å; I149-S151 VanDerWaalsContact C-N 3.27Å; I149-S151 PolarHBondContact O-N 2.87Å; I149-T152 PolarHBondContact O-N 3.36Å; I149-T152 PolarHBondContact O-OG1 2.61Å; I149-L153 HydrophobicContact CG2-CD1 4.22Å; I149-L153 HydrophobicContact CG2-CG 4.46Å; I149-L153 WeakPolarHBondContact O-CG 3.45Å; I149-L153 PolarHBondContact O-N 3.43Å |
| 150 | I | 95.8 | Very high | 95 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.4 | -43.4 | 178.3 | -68.7 | 163.6 | 0 | 0 | 0 | 111.1 | L34 E35 L38 C146 Q147 T152 L153 T154 | L34-I150 HydrophobicContact CB-CD1 3.9Å; L34-I150 HydrophobicContact CB-CG1 3.64Å; L34-I150 HydrophobicContact CD1-CG1 4.19Å; E35-I150 HydrophobicContact CG-CD1 4.04Å; L38-I150 HydrophobicContact CD2-CD1 4.1Å; C146-I150 WeakPolarHBondContact O-CD1 3.34Å; C146-I150 VanDerWaalsContact O-CG1 3.23Å; C146-I150 WeakPolarHBondContact O-CG1 3.06Å; C146-I150 PolarHBondContact O-N 3.13Å; Q147-I150 PolarHBondContact O-N 2.83Å; I150-T152 PolarHBondContact O-N 3.09Å; I150-L153 PolarHBondContact O-N 2.76Å; I150-T154 PolarHBondContact O-N 3.09Å; I150-T154 PolarHBondContact O-OG1 3.1Å; I150-T154 VanDerWaalsContact O-OG1 3.12Å |
| 151 | S | 94.6 | Very high | 94.8 | Very high | 86 Ų | 86 | 57.1 Ų | 57.1 | 60% | 0.601 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.9 | -21 | 177 | -62.9 | 0 | 0 | 0 | 0 | 114.1 | Q147 I149 | Q147-S151 PolarHBondContact O-N 3.32Å; Q147-S151 PolarHBondContact O-OG 2.92Å; Q147-S151 VanDerWaalsContact O-OG 3.09Å; I149-S151 VanDerWaalsContact C-N 3.27Å; I149-S151 PolarHBondContact O-N 2.87Å |
| 152 | T | 92.4 | Very high | 94.6 | Very high | 104 Ų | 104 | 52.5 Ų | 52.5 | 64% | 0.638 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -87.8 | -15.1 | 174.1 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | S148 I149 I150 | S148-T152 WeakPolarHBondContact O-CG2 3.36Å; S148-T152 PolarHBondContact O-N 2.81Å; I149-T152 PolarHBondContact O-N 3.36Å; I149-T152 PolarHBondContact O-OG1 2.61Å; I150-T152 PolarHBondContact O-N 3.09Å |
| 153 | L | 88.3 | Confident | 94.2 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 27% | 0.267 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -94.3 | -16.7 | 179.8 | -59.5 | 176.1 | 0 | 0 | 0 | 113 | T27 T30 Q31 L34 I149 I150 | T27-L153 HydrophobicContact CG2-CB 4.25Å; T27-L153 HydrophobicContact CG2-CD2 4.14Å; T30-L153 HydrophobicContact CG2-CD1 3.96Å; Q31-L153 HydrophobicContact CB-CD1 4.25Å; L34-L153 HydrophobicContact CD1-CD1 3.72Å; I149-L153 HydrophobicContact CG2-CD1 4.22Å; I149-L153 HydrophobicContact CG2-CG 4.46Å; I149-L153 WeakPolarHBondContact O-CG 3.45Å; I149-L153 PolarHBondContact O-N 3.43Å; I150-L153 PolarHBondContact O-N 2.76Å |
| 154 | T | 75.3 | Confident | 93.9 | Very high | 148 Ų | 148 | 61.1 Ų | 61.1 | 91% | 0.908 | 37% | 0.367 | S | S | * | . | trans | -92.4 | 0 | 178.8 | -49.6 | 0 | 0 | 0 | 0 | 110.6 | I150 | I150-T154 PolarHBondContact O-N 3.09Å; I150-T154 PolarHBondContact O-OG1 3.1Å; I150-T154 VanDerWaalsContact O-OG1 3.12Å |
Retrieved 154 of 154 residues in 1683.8 ms
(Link to these results)