| 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 | 39.7 | Very low | 74.2 | Confident | 236 Ų | 236 | 94.4 Ų | 94.4 | 100% | 1.163 | 54% | 0.543 | S | S | * | . | 0 | 105.2 | 0 | -76.4 | -179.9 | -90.7 | 0 | 0 | 106.7 | V3 | M1-V3 PolarHBondContact O-N 2.78Š| |||
| 2 | A | 55.2 | Low | 75.5 | Confident | 101 Ų | 101 | 95.6 Ų | 95.6 | 84% | 0.835 | 54% | 0.54 | S | S | * | . | trans | -73.5 | 119.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | N4 | A2-N4 PolarHBondContact O-N 3.41Š| ||
| 3 | V | 63.3 | Low | 76.6 | Confident | 99 Ų | 99 | 88.2 Ų | 88.2 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | trans | -75.5 | 118.3 | 175.3 | 178.4 | 0 | 0 | 0 | 0 | 107.4 | M1 L5 L8 | M1-V3 PolarHBondContact O-N 2.78Å; V3-L5 PolarHBondContact O-N 3Å; V3-L8 HydrophobicContact CG1-CD1 4.05Å | ||
| 4 | N | 75.9 | Confident | 77.7 | Confident | 94 Ų | 94 | 90 Ų | 90 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | trans | -70.6 | 97.7 | 173.7 | -84 | -41.7 | 0 | 0 | 0 | 109.7 | A2 T6 E7 | A2-N4 PolarHBondContact O-N 3.41Å; N4-T6 PolarHBondContact O-N 3.43Å; N4-E7 HydrophobicContact CB-CB 4.43Å; N4-E7 HydrophobicContact CB-CG 4.08Å; N4-E7 PolarHBondContact O-N 3.17Å; N4-E7 VanDerWaalsContact O-N 3.17Å | ||
| 5 | L | 77.4 | Confident | 78.7 | Confident | 34 Ų | 34 | 86.9 Ų | 86.9 | 18% | 0.178 | 50% | 0.498 | C | S | . | . | G | 310 helix | trans | -59.4 | -29.9 | -178.7 | -62.7 | 177.8 | 0 | 0 | 0 | 112.6 | V3 E7 L8 L16 A128 V129 V132 | V3-L5 PolarHBondContact O-N 3Å; L5-E7 VanDerWaalsContact C-N 3.27Å; L5-E7 PolarHBondContact O-N 3.36Å; L5-L8 HydrophobicContact CD2-CD1 4.2Å; L5-L8 PolarHBondContact O-N 3.2Å; L5-L16 HydrophobicContact CD2-CD2 4Å; L5-A128 HydrophobicContact CD1-CB 3.81Å; L5-V129 HydrophobicContact CD1-CG2 4.31Å; L5-V129 HydrophobicContact CD2-CG2 3.89Å; L5-V132 HydrophobicContact CB-CG1 4.44Å; L5-V132 HydrophobicContact CB-CG2 4Å; L5-V132 WeakPolarHBondContact O-CG1 3.47Å |
| 6 | T | 76.2 | Confident | 79.6 | Confident | 94 Ų | 94 | 84 Ų | 84 | 58% | 0.577 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -68.4 | -21.4 | -179.8 | 47.2 | 0 | 0 | 0 | 0 | 113.7 | N4 K136 | N4-T6 PolarHBondContact O-N 3.43Å; T6-K136 VanDerWaalsContact O-CE 3.23Å; T6-K136 WeakPolarHBondContact O-CE 3.37Å; T6-K136 PolarHBondContact O-NZ 3.44Å |
| 7 | E | 82.8 | Confident | 80.5 | Confident | 148 Ų | 148 | 82.8 Ų | 82.8 | 69% | 0.692 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -88.6 | -16.4 | -179.2 | -66.9 | 173.3 | -170.3 | 0 | 0 | 112.8 | N4 L5 | N4-E7 HydrophobicContact CB-CB 4.43Å; N4-E7 HydrophobicContact CB-CG 4.08Å; N4-E7 PolarHBondContact O-N 3.17Å; N4-E7 VanDerWaalsContact O-N 3.17Å; L5-E7 VanDerWaalsContact C-N 3.27Å; L5-E7 PolarHBondContact O-N 3.36Å |
| 8 | L | 83.4 | Confident | 81.3 | Confident | 36 Ų | 36 | 81.8 Ų | 81.8 | 19% | 0.188 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -76.2 | 137 | -175.4 | -64.8 | 175.3 | 0 | 0 | 0 | 113.3 | V3 L5 Q12 L13 L16 K136 | V3-L8 HydrophobicContact CG1-CD1 4.05Å; L5-L8 HydrophobicContact CD2-CD1 4.2Å; L5-L8 PolarHBondContact O-N 3.2Å; L8-Q12 HydrophobicContact CB-CB 4.28Å; L8-Q12 HydrophobicContact CD2-CB 4.43Å; L8-L13 HydrophobicContact CB-CD2 3.88Å; L8-L13 HydrophobicContact CB-CG 3.93Å; L8-L13 HydrophobicContact CD1-CD2 3.91Å; L8-L16 HydrophobicContact CD1-CD2 4.18Å; L8-K136 PolarHBondContact O-NZ 3.42Å |
| 9 | S | 85.9 | Confident | 82 | Confident | 51 Ų | 51 | 82.8 Ų | 82.8 | 36% | 0.357 | 46% | 0.464 | S | S | . | . | trans | -66.3 | 159.9 | 174.3 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | Q12 L13 | S9-Q12 WeakPolarHBondContact O-CB 3.23Å; S9-Q12 PolarHBondContact O-N 2.74Å; S9-Q12 VanDerWaalsContact OG-CD 3.25Å; S9-Q12 VanDerWaalsContact OG-CG 3.29Å; S9-Q12 WeakPolarHBondContact OG-CG 3.36Å; S9-Q12 PolarHBondContact OG-OE1 2.74Å; S9-L13 PolarHBondContact O-N 3.35Å | ||
| 10 | L | 87.4 | Confident | 82.7 | Confident | 48 Ų | 48 | 78.7 Ų | 78.7 | 25% | 0.251 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -54.6 | -45.1 | 178.4 | -77.7 | 175.2 | 0 | 0 | 0 | 113.4 | Q12 L13 E14 M133 K136 I137 L140 | L10-Q12 VanDerWaalsContact C-N 3.3Å; L10-Q12 PolarHBondContact O-N 3.33Å; L10-L13 PolarHBondContact O-N 3.43Å; L10-E14 PolarHBondContact O-N 3.29Å; L10-M133 HydrophobicContact CD2-CG 3.76Å; L10-K136 HydrophobicContact CD2-CB 3.85Å; L10-K136 HydrophobicContact CG-CB 4.38Å; L10-I137 HydrophobicContact CD1-CG1 4.3Å; L10-I137 HydrophobicContact CD2-CG1 4.06Å; L10-L140 HydrophobicContact CD1-CD1 3.52Å |
| 11 | P | 89.3 | Confident | 83.3 | Confident | 97 Ų | 97 | 78.4 Ų | 78.4 | 63% | 0.63 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.6 | -35.2 | 175.1 | -25.3 | 35.4 | 0 | 0 | 0 | 113.7 | E14 G15 | P11-E14 PolarHBondContact O-N 2.97Å; P11-G15 PolarHBondContact O-N 3.02Å |
| 12 | Q | 88.9 | Confident | 86.1 | Confident | 109 Ų | 109 | 73.2 Ų | 73.2 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.6 | -38.5 | 176.6 | -71.7 | 168.8 | -44.9 | 0 | 0 | 111.7 | L8 S9 L10 L16 | L8-Q12 HydrophobicContact CB-CB 4.28Å; L8-Q12 HydrophobicContact CD2-CB 4.43Å; S9-Q12 WeakPolarHBondContact O-CB 3.23Å; S9-Q12 PolarHBondContact O-N 2.74Å; S9-Q12 VanDerWaalsContact OG-CD 3.25Å; S9-Q12 VanDerWaalsContact OG-CG 3.29Å; S9-Q12 WeakPolarHBondContact OG-CG 3.36Å; S9-Q12 PolarHBondContact OG-OE1 2.74Å; L10-Q12 VanDerWaalsContact C-N 3.3Å; L10-Q12 PolarHBondContact O-N 3.33Å; Q12-L16 WeakPolarHBondContact O-CB 3.29Å; Q12-L16 PolarHBondContact O-N 3.07Å |
| 13 | L | 90.5 | Very high | 88 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66 | -38.5 | 174.7 | -69.8 | 169.9 | 0 | 0 | 0 | 111.7 | L8 S9 L10 L16 K17 V129 V132 M133 K136 | L8-L13 HydrophobicContact CB-CD2 3.88Å; L8-L13 HydrophobicContact CB-CG 3.93Å; L8-L13 HydrophobicContact CD1-CD2 3.91Å; S9-L13 PolarHBondContact O-N 3.35Å; L10-L13 PolarHBondContact O-N 3.43Å; L13-L16 PolarHBondContact O-N 3.49Å; L13-K17 WeakPolarHBondContact O-CB 3.37Å; L13-K17 PolarHBondContact O-N 3.12Å; L13-V129 HydrophobicContact CB-CG1 4.36Å; L13-V129 HydrophobicContact CD2-CG1 4.16Å; L13-V129 WeakPolarHBondContact O-CG1 3.48Å; L13-V132 HydrophobicContact CD1-CG1 4.03Å; L13-V132 HydrophobicContact CD2-CG1 4.47Å; L13-M133 HydrophobicContact CD1-CB 4.45Å; L13-K136 HydrophobicContact CD1-CD 4.02Å |
| 14 | E | 91.6 | Very high | 89.5 | Confident | 113 Ų | 113 | 66.9 Ų | 66.9 | 53% | 0.528 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 176.4 | -170 | 163.4 | -157 | 0 | 0 | 111.8 | L10 P11 L16 K17 T18 M133 | L10-E14 PolarHBondContact O-N 3.29Å; P11-E14 PolarHBondContact O-N 2.97Å; E14-L16 VanDerWaalsContact C-N 3.35Å; E14-L16 PolarHBondContact O-N 3.38Å; E14-K17 WeakPolarHBondContact O-CB 3.46Å; E14-K17 PolarHBondContact O-N 3.48Å; E14-T18 PolarHBondContact O-N 3.01Å; E14-T18 PolarHBondContact O-OG1 3.4Å; E14-M133 HydrophobicContact CB-CE 3.93Å; E14-M133 HydrophobicContact CG-CE 4.31Å |
| 15 | G | 93.3 | Very high | 90.5 | Very high | 44 Ų | 44 | 69.2 Ų | 69.2 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P11 T18 Q19 | P11-G15 PolarHBondContact O-N 3.02Å; G15-T18 PolarHBondContact O-N 3.46Å; G15-Q19 PolarHBondContact O-N 3.44Å |
| 16 | L | 93.3 | Very high | 91.4 | Very high | 40 Ų | 40 | 74.2 Ų | 74.2 | 21% | 0.209 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 176.6 | -179.5 | 59.6 | 0 | 0 | 0 | 112 | L5 L8 Q12 L13 E14 Q19 L20 V129 | L5-L16 HydrophobicContact CD2-CD2 4Å; L8-L16 HydrophobicContact CD1-CD2 4.18Å; Q12-L16 WeakPolarHBondContact O-CB 3.29Å; Q12-L16 PolarHBondContact O-N 3.07Å; L13-L16 PolarHBondContact O-N 3.49Å; E14-L16 VanDerWaalsContact C-N 3.35Å; E14-L16 PolarHBondContact O-N 3.38Å; L16-Q19 PolarHBondContact O-N 3.16Å; L16-L20 HydrophobicContact CD1-CD1 4.14Å; L16-L20 HydrophobicContact CD1-CG 4.28Å; L16-L20 HydrophobicContact CG-CD1 4.02Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.38Å; L16-L20 PolarHBondContact O-N 3.41Å; L16-V129 HydrophobicContact CD2-CG2 3.64Å; L16-V129 HydrophobicContact CG-CG2 4.05Å |
| 17 | K | 93.4 | Very high | 92.4 | Very high | 63 Ų | 63 | 71.3 Ų | 71.3 | 27% | 0.274 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.5 | -50.5 | 174.9 | 177.7 | -167.3 | 165.5 | -166.5 | 0 | 110.8 | L13 E14 Q19 L20 E21 V129 I130 | L13-K17 WeakPolarHBondContact O-CB 3.37Å; L13-K17 PolarHBondContact O-N 3.12Å; E14-K17 WeakPolarHBondContact O-CB 3.46Å; E14-K17 PolarHBondContact O-N 3.48Å; K17-Q19 VanDerWaalsContact C-N 3.32Å; K17-Q19 PolarHBondContact O-N 3.3Å; K17-L20 PolarHBondContact O-N 2.97Å; K17-E21 WeakPolarHBondContact CE-OE1 3.3Å; K17-E21 IonicContact NZ-OE1 2.99Å; K17-E21 WeakPolarHBondContact O-CG 3.35Å; K17-E21 PolarHBondContact O-N 2.58Å; K17-V129 HydrophobicContact CB-CG1 4.06Å; K17-I130 HydrophobicContact CD-CG1 4.25Å; K17-I130 HydrophobicContact CG-CG1 4.4Å |
| 18 | T | 95.8 | Very high | 93.1 | Very high | 66 Ų | 66 | 67.7 Ų | 67.7 | 41% | 0.405 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 179.9 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | E14 G15 L20 E21 Q22 | E14-T18 PolarHBondContact O-N 3.01Å; E14-T18 PolarHBondContact O-OG1 3.4Å; G15-T18 PolarHBondContact O-N 3.46Å; T18-L20 PolarHBondContact O-N 3.06Å; T18-E21 PolarHBondContact O-N 3.37Å; T18-Q22 WeakPolarHBondContact O-CG 3.45Å; T18-Q22 PolarHBondContact O-N 3.33Å; T18-Q22 VanDerWaalsContact O-N 3.08Å |
| 19 | Q | 95.3 | Very high | 93.7 | Very high | 100 Ų | 100 | 69 Ų | 69 | 47% | 0.467 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 175 | -177.9 | -178.3 | -10.7 | 0 | 0 | 111.5 | G15 L16 K17 E21 Q22 E23 | G15-Q19 PolarHBondContact O-N 3.44Å; L16-Q19 PolarHBondContact O-N 3.16Å; K17-Q19 VanDerWaalsContact C-N 3.32Å; K17-Q19 PolarHBondContact O-N 3.3Å; Q19-E21 VanDerWaalsContact C-N 3.31Å; Q19-E21 PolarHBondContact O-N 3.06Å; Q19-Q22 PolarHBondContact O-N 3.31Å; Q19-E23 PolarHBondContact NE2-OE1 3.46Å; Q19-E23 WeakPolarHBondContact O-CG 3.36Å; Q19-E23 PolarHBondContact O-N 2.79Å |
| 20 | L | 95.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.1 | -32.2 | 179.9 | -68.2 | 170.4 | 0 | 0 | 0 | 112.9 | L16 K17 T18 T24 K122 M125 K126 V129 | L16-L20 HydrophobicContact CD1-CD1 4.14Å; L16-L20 HydrophobicContact CD1-CG 4.28Å; L16-L20 HydrophobicContact CG-CD1 4.02Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.38Å; L16-L20 PolarHBondContact O-N 3.41Å; K17-L20 PolarHBondContact O-N 2.97Å; T18-L20 PolarHBondContact O-N 3.06Å; L20-T24 VanDerWaalsContact O-CB 3.25Å; L20-T24 WeakPolarHBondContact O-CB 3.5Å; L20-T24 PolarHBondContact O-N 3.21Å; L20-T24 PolarHBondContact O-OG1 2.97Å; L20-K122 HydrophobicContact CD2-CD 3.8Å; L20-M125 HydrophobicContact CD1-CB 4.3Å; L20-M125 HydrophobicContact CD1-CE 4.15Å; L20-M125 HydrophobicContact CD1-CG 4.05Å; L20-M125 HydrophobicContact CD2-CE 3.35Å; L20-M125 HydrophobicContact CG-CE 4.34Å; L20-K126 HydrophobicContact CB-CB 4.06Å; L20-K126 HydrophobicContact CB-CG 4.3Å; L20-K126 HydrophobicContact CD1-CB 4.37Å; L20-V129 HydrophobicContact CD1-CG2 4.04Å |
| 21 | E | 95.5 | Very high | 94.6 | Very high | 73 Ų | 73 | 66.3 Ų | 66.3 | 34% | 0.341 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 172.1 | -77.1 | 175 | 166.4 | 0 | 0 | 111.4 | K17 T18 Q19 E23 T24 E25 K126 | K17-E21 WeakPolarHBondContact CE-OE1 3.3Å; K17-E21 IonicContact NZ-OE1 2.99Å; K17-E21 WeakPolarHBondContact O-CG 3.35Å; K17-E21 PolarHBondContact O-N 2.58Å; T18-E21 PolarHBondContact O-N 3.37Å; Q19-E21 VanDerWaalsContact C-N 3.31Å; Q19-E21 PolarHBondContact O-N 3.06Å; E21-E23 PolarHBondContact O-N 3.29Å; E21-T24 PolarHBondContact O-N 2.99Å; E21-E25 WeakPolarHBondContact O-CB 3.36Å; E21-E25 PolarHBondContact O-N 3.48Å; E21-K126 HydrophobicContact CG-CD 3.62Å |
| 22 | Q | 96.9 | Very high | 95 | Very high | 127 Ų | 127 | 63.3 Ų | 63.3 | 59% | 0.593 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 177.6 | -69.8 | 175.5 | -8 | 0 | 0 | 112.1 | T18 Q19 T24 E25 F26 | T18-Q22 WeakPolarHBondContact O-CG 3.45Å; T18-Q22 PolarHBondContact O-N 3.33Å; T18-Q22 VanDerWaalsContact O-N 3.08Å; Q19-Q22 PolarHBondContact O-N 3.31Å; Q22-T24 PolarHBondContact O-N 3.38Å; Q22-E25 PolarHBondContact O-N 3.01Å; Q22-F26 WeakPolarHBondContact O-CB 3.45Å; Q22-F26 PolarHBondContact O-N 3.26Å |
| 23 | E | 95.6 | Very high | 95.3 | Very high | 53 Ų | 53 | 64.1 Ų | 64.1 | 25% | 0.248 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 177.1 | -71.7 | 177.7 | -168.9 | 0 | 0 | 111.5 | Q19 E21 F26 L27 K122 | Q19-E23 PolarHBondContact NE2-OE1 3.46Å; Q19-E23 WeakPolarHBondContact O-CG 3.36Å; Q19-E23 PolarHBondContact O-N 2.79Å; E21-E23 PolarHBondContact O-N 3.29Å; E23-F26 PolarHBondContact O-N 3.22Å; E23-L27 VanDerWaalsContact O-CG 3.27Å; E23-L27 WeakPolarHBondContact O-CG 3.13Å; E23-L27 PolarHBondContact O-N 3.35Å; E23-K122 VanDerWaalsContact OE2-CD 3.27Å; E23-K122 WeakPolarHBondContact OE2-CD 3.35Å; E23-K122 WeakPolarHBondContact OE2-CE 3.35Å; E23-K122 IonicContact OE2-NZ 2.66Å; E23-K122 PolarHBondContact OE2-NZ 3.42Å |
| 24 | T | 96.3 | Very high | 95.6 | Very high | 13 Ų | 13 | 66.1 Ų | 66.1 | 8% | 0.08 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63 | -44.4 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | L20 E21 Q22 L27 T28 L119 Y123 | L20-T24 VanDerWaalsContact O-CB 3.25Å; L20-T24 WeakPolarHBondContact O-CB 3.5Å; L20-T24 PolarHBondContact O-N 3.21Å; L20-T24 PolarHBondContact O-OG1 2.97Å; E21-T24 PolarHBondContact O-N 2.99Å; Q22-T24 PolarHBondContact O-N 3.38Å; T24-L27 PolarHBondContact O-N 3.06Å; T24-T28 VanDerWaalsContact O-CB 3.29Å; T24-T28 WeakPolarHBondContact O-CB 3.27Å; T24-T28 PolarHBondContact O-N 3.43Å; T24-T28 PolarHBondContact O-OG1 3Å; T24-L119 HydrophobicContact CG2-CD1 3.7Å; T24-Y123 HydrophobicContact CG2-CD2 4.11Å |
| 25 | E | 96.8 | Very high | 95.9 | Very high | 144 Ų | 144 | 65.9 Ų | 65.9 | 67% | 0.673 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.5 | -44.9 | 178.3 | -175.3 | 173.8 | -170.4 | 0 | 0 | 111.4 | E21 Q22 L27 T28 S29 | E21-E25 WeakPolarHBondContact O-CB 3.36Å; E21-E25 PolarHBondContact O-N 3.48Å; Q22-E25 PolarHBondContact O-N 3.01Å; E25-L27 PolarHBondContact O-N 3.42Å; E25-T28 PolarHBondContact O-N 3Å; E25-S29 WeakPolarHBondContact O-CB 3.17Å; E25-S29 PolarHBondContact O-N 3.03Å |
| 26 | F | 96.5 | Very high | 96.1 | Very high | 139 Ų | 139 | 67.8 Ų | 67.8 | 61% | 0.61 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58 | -49 | 176.5 | 174.2 | -100.8 | 0 | 0 | 0 | 112.3 | Q22 E23 S29 S30 | Q22-F26 WeakPolarHBondContact O-CB 3.45Å; Q22-F26 PolarHBondContact O-N 3.26Å; E23-F26 PolarHBondContact O-N 3.22Å; F26-S29 PolarHBondContact O-N 2.98Å; F26-S30 WeakPolarHBondContact O-CB 3.29Å; F26-S30 PolarHBondContact O-N 3.4Å; F26-S30 PolarHBondContact O-OG 2.94Å |
| 27 | L | 96.3 | Very high | 96.2 | Very high | 32 Ų | 32 | 68.8 Ų | 68.8 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 179.5 | -65.4 | 176.2 | 0 | 0 | 0 | 111.6 | E23 T24 E25 S30 I31 I115 A118 L119 K122 | E23-L27 VanDerWaalsContact O-CG 3.27Å; E23-L27 WeakPolarHBondContact O-CG 3.13Å; E23-L27 PolarHBondContact O-N 3.35Å; T24-L27 PolarHBondContact O-N 3.06Å; E25-L27 PolarHBondContact O-N 3.42Å; L27-S30 PolarHBondContact O-N 3.31Å; L27-I31 WeakPolarHBondContact O-CG1 3.36Å; L27-I31 PolarHBondContact O-N 2.97Å; L27-I115 HydrophobicContact CB-CG2 4.31Å; L27-I115 HydrophobicContact CD2-CG2 3.87Å; L27-A118 HydrophobicContact CD1-CB 4.48Å; L27-L119 HydrophobicContact CB-CB 4.3Å; L27-L119 HydrophobicContact CB-CD1 3.99Å; L27-L119 HydrophobicContact CD1-CB 4.32Å; L27-K122 HydrophobicContact CD1-CG 4.33Å |
| 28 | T | 96.8 | Very high | 96.3 | Very high | 73 Ų | 73 | 67.8 Ų | 67.8 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | T24 E25 S30 I31 G32 | T24-T28 VanDerWaalsContact O-CB 3.29Å; T24-T28 WeakPolarHBondContact O-CB 3.27Å; T24-T28 PolarHBondContact O-N 3.43Å; T24-T28 PolarHBondContact O-OG1 3Å; E25-T28 PolarHBondContact O-N 3Å; T28-S30 VanDerWaalsContact C-N 3.34Å; T28-S30 PolarHBondContact O-N 3.43Å; T28-I31 PolarHBondContact O-N 3.02Å; T28-G32 PolarHBondContact O-N 3.46Å |
| 29 | S | 96.8 | Very high | 96.4 | Very high | 63 Ų | 63 | 67.8 Ų | 67.8 | 44% | 0.441 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | E25 F26 I31 G32 Q33 | E25-S29 WeakPolarHBondContact O-CB 3.17Å; E25-S29 PolarHBondContact O-N 3.03Å; F26-S29 PolarHBondContact O-N 2.98Å; S29-I31 PolarHBondContact O-N 3.19Å; S29-G32 WeakPolarHBondContact O-CA 3.46Å; S29-G32 PolarHBondContact O-N 2.66Å; S29-G32 VanDerWaalsContact O-N 3.13Å; S29-Q33 WeakPolarHBondContact O-CG 3.42Å; S29-Q33 PolarHBondContact O-N 3.4Å; S29-Q33 PolarHBondContact OG-NE2 3.31Å |
| 30 | S | 96.1 | Very high | 96.5 | Very high | 26 Ų | 26 | 69.4 Ų | 69.4 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 177.1 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | F26 L27 T28 G32 Q33 L34 | F26-S30 WeakPolarHBondContact O-CB 3.29Å; F26-S30 PolarHBondContact O-N 3.4Å; F26-S30 PolarHBondContact O-OG 2.94Å; L27-S30 PolarHBondContact O-N 3.31Å; T28-S30 VanDerWaalsContact C-N 3.34Å; T28-S30 PolarHBondContact O-N 3.43Å; S30-G32 VanDerWaalsContact C-N 3.32Å; S30-G32 PolarHBondContact O-N 3.37Å; S30-Q33 PolarHBondContact O-N 3.49Å; S30-L34 WeakPolarHBondContact O-CG 3.32Å; S30-L34 PolarHBondContact O-N 3.25Å |
| 31 | I | 96.5 | Very high | 96.5 | Very high | 16 Ų | 16 | 72.4 Ų | 72.4 | 8% | 0.082 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 174.5 | -72.4 | 170.2 | 0 | 0 | 0 | 110.8 | L27 T28 S29 Q33 L34 K35 I112 I115 L119 | L27-I31 WeakPolarHBondContact O-CG1 3.36Å; L27-I31 PolarHBondContact O-N 2.97Å; T28-I31 PolarHBondContact O-N 3.02Å; S29-I31 PolarHBondContact O-N 3.19Å; I31-Q33 PolarHBondContact O-N 2.99Å; I31-L34 PolarHBondContact O-N 2.86Å; I31-K35 HydrophobicContact CG2-CD 4.22Å; I31-K35 HydrophobicContact CG2-CG 4.45Å; I31-K35 WeakPolarHBondContact O-CG 3.43Å; I31-K35 PolarHBondContact O-N 3.45Å; I31-I112 HydrophobicContact CG2-CG2 4.1Å; I31-I115 HydrophobicContact CD1-CB 4.29Å; I31-I115 HydrophobicContact CD1-CG2 3.87Å; I31-I115 HydrophobicContact CG1-CB 4.22Å; I31-I115 HydrophobicContact CG1-CG2 3.9Å; I31-L119 HydrophobicContact CD1-CD2 3.82Å |
| 32 | G | 97 | Very high | 96.5 | Very high | 34 Ų | 34 | 71.5 Ų | 71.5 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.1 | -47.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T28 S29 S30 K35 V36 | T28-G32 PolarHBondContact O-N 3.46Å; S29-G32 WeakPolarHBondContact O-CA 3.46Å; S29-G32 PolarHBondContact O-N 2.66Å; S29-G32 VanDerWaalsContact O-N 3.13Å; S30-G32 VanDerWaalsContact C-N 3.32Å; S30-G32 PolarHBondContact O-N 3.37Å; G32-K35 PolarHBondContact O-N 3.23Å; G32-V36 WeakPolarHBondContact O-CG2 3.46Å; G32-V36 PolarHBondContact O-N 3Å |
| 33 | Q | 96.5 | Very high | 96.5 | Very high | 126 Ų | 126 | 70.8 Ų | 70.8 | 59% | 0.589 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.5 | -44.6 | 177.5 | -68 | 175.1 | 20.7 | 0 | 0 | 112.2 | S29 S30 I31 K35 V36 V37 | S29-Q33 WeakPolarHBondContact O-CG 3.42Å; S29-Q33 PolarHBondContact O-N 3.4Å; S29-Q33 PolarHBondContact OG-NE2 3.31Å; S30-Q33 PolarHBondContact O-N 3.49Å; I31-Q33 PolarHBondContact O-N 2.99Å; Q33-K35 VanDerWaalsContact C-N 3.3Å; Q33-K35 PolarHBondContact O-N 3.37Å; Q33-V36 PolarHBondContact O-N 3.18Å; Q33-V37 PolarHBondContact O-N 3.41Å |
| 34 | L | 96.4 | Very high | 96.4 | Very high | 43 Ų | 43 | 69.8 Ų | 69.8 | 23% | 0.225 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 177.3 | -68.4 | 173.5 | 0 | 0 | 0 | 111.9 | S30 I31 V37 Q38 L108 Q111 I112 I115 | S30-L34 WeakPolarHBondContact O-CG 3.32Å; S30-L34 PolarHBondContact O-N 3.25Å; I31-L34 PolarHBondContact O-N 2.86Å; L34-V37 PolarHBondContact O-N 3Å; L34-Q38 WeakPolarHBondContact O-CB 3.36Å; L34-Q38 PolarHBondContact O-N 3.44Å; L34-L108 HydrophobicContact CD2-CD2 3.8Å; L34-Q111 HydrophobicContact CD1-CB 4.32Å; L34-I112 HydrophobicContact CB-CD1 3.97Å; L34-I112 HydrophobicContact CB-CG1 3.75Å; L34-I112 HydrophobicContact CD1-CG1 3.98Å; L34-I115 HydrophobicContact CD1-CD1 3.85Å |
| 35 | K | 96.6 | Very high | 96.3 | Very high | 108 Ų | 108 | 72.4 Ų | 72.4 | 47% | 0.47 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 175.1 | -76.9 | -177.2 | 175.8 | -174.3 | 0 | 112.4 | I31 G32 Q33 V37 Q38 T39 I112 | I31-K35 HydrophobicContact CG2-CD 4.22Å; I31-K35 HydrophobicContact CG2-CG 4.45Å; I31-K35 WeakPolarHBondContact O-CG 3.43Å; I31-K35 PolarHBondContact O-N 3.45Å; G32-K35 PolarHBondContact O-N 3.23Å; Q33-K35 VanDerWaalsContact C-N 3.3Å; Q33-K35 PolarHBondContact O-N 3.37Å; K35-V37 VanDerWaalsContact C-N 3.29Å; K35-V37 PolarHBondContact O-N 3.47Å; K35-Q38 WeakPolarHBondContact O-CB 3.34Å; K35-Q38 PolarHBondContact O-N 3.04Å; K35-T39 PolarHBondContact O-N 3.41Å; K35-T39 PolarHBondContact O-OG1 2.87Å; K35-T39 VanDerWaalsContact O-OG1 3.11Å; K35-I112 HydrophobicContact CG-CD1 3.84Å |
| 36 | V | 97.4 | Very high | 96.2 | Very high | 83 Ų | 83 | 69.8 Ų | 69.8 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.1 | -43.8 | 176 | 170.9 | 0 | 0 | 0 | 0 | 111 | G32 Q33 T39 K40 | G32-V36 WeakPolarHBondContact O-CG2 3.46Å; G32-V36 PolarHBondContact O-N 3Å; Q33-V36 PolarHBondContact O-N 3.18Å; V36-T39 PolarHBondContact O-N 2.86Å; V36-K40 WeakPolarHBondContact O-CG 3.33Å; V36-K40 PolarHBondContact O-N 3.45Å |
| 37 | V | 95.9 | Very high | 96 | Very high | 61 Ų | 61 | 66.7 Ų | 66.7 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 177.2 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | Q33 L34 K35 T39 K40 Y41 L108 | Q33-V37 PolarHBondContact O-N 3.41Å; L34-V37 PolarHBondContact O-N 3Å; K35-V37 VanDerWaalsContact C-N 3.29Å; K35-V37 PolarHBondContact O-N 3.47Å; V37-T39 PolarHBondContact O-N 3.25Å; V37-K40 PolarHBondContact O-N 2.91Å; V37-Y41 HydrophobicContact CG1-CD2 4.11Å; V37-Y41 HydrophobicContact CG1-CE2 3.68Å; V37-Y41 PolarHBondContact O-N 3.02Å; V37-Y41 VanDerWaalsContact O-N 3.12Å; V37-L108 HydrophobicContact CB-CD1 4.11Å; V37-L108 HydrophobicContact CG1-CD1 3.83Å |
| 38 | Q | 96.5 | Very high | 95.8 | Very high | 42 Ų | 42 | 65.8 Ų | 65.8 | 20% | 0.196 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.6 | -46 | 176.1 | -174.6 | -174.2 | 52.8 | 0 | 0 | 111.4 | L34 K35 K40 Y41 V42 I105 L108 T109 | L34-Q38 WeakPolarHBondContact O-CB 3.36Å; L34-Q38 PolarHBondContact O-N 3.44Å; K35-Q38 WeakPolarHBondContact O-CB 3.34Å; K35-Q38 PolarHBondContact O-N 3.04Å; Q38-K40 VanDerWaalsContact C-N 3.33Å; Q38-K40 PolarHBondContact O-N 3.37Å; Q38-Y41 PolarHBondContact O-N 2.91Å; Q38-Y41 VanDerWaalsContact O-N 3.13Å; Q38-V42 WeakPolarHBondContact O-CG2 3.28Å; Q38-V42 PolarHBondContact O-N 3.48Å; Q38-I105 HydrophobicContact CG-CG2 4.19Å; Q38-L108 HydrophobicContact CB-CB 4.4Å; Q38-L108 HydrophobicContact CB-CD1 3.98Å; Q38-T109 PolarHBondContact NE2-OG1 2.91Å |
| 39 | T | 97.6 | Very high | 95.4 | Very high | 67 Ų | 67 | 65.6 Ų | 65.6 | 41% | 0.411 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 176 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | K35 V36 V37 Y41 V42 E43 | K35-T39 PolarHBondContact O-N 3.41Å; K35-T39 PolarHBondContact O-OG1 2.87Å; K35-T39 VanDerWaalsContact O-OG1 3.11Å; V36-T39 PolarHBondContact O-N 2.86Å; V37-T39 PolarHBondContact O-N 3.25Å; T39-Y41 VanDerWaalsContact C-N 3.3Å; T39-Y41 PolarHBondContact O-N 3.36Å; T39-V42 WeakPolarHBondContact O-CB 3.27Å; T39-V42 PolarHBondContact O-N 3.42Å; T39-V42 VanDerWaalsContact O-N 3.09Å; T39-E43 HydrophobicContact CG2-CG 4.29Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.31Å; T39-E43 WeakPolarHBondContact O-CG 2.99Å; T39-E43 PolarHBondContact O-N 2.93Å |
| 40 | K | 96.2 | Very high | 94.9 | Very high | 133 Ų | 133 | 67 Ų | 67 | 58% | 0.578 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.9 | -38.8 | 176.2 | -70.8 | 178.7 | 178.8 | -174.9 | 0 | 112.8 | V36 V37 Q38 A44 | V36-K40 WeakPolarHBondContact O-CG 3.33Å; V36-K40 PolarHBondContact O-N 3.45Å; V37-K40 PolarHBondContact O-N 2.91Å; Q38-K40 VanDerWaalsContact C-N 3.33Å; Q38-K40 PolarHBondContact O-N 3.37Å; K40-A44 VanDerWaalsContact O-CB 3.28Å; K40-A44 WeakPolarHBondContact O-CB 3.42Å; K40-A44 PolarHBondContact O-N 3.34Å |
| 41 | Y | 96 | Very high | 94.5 | Very high | 64 Ų | 64 | 67.7 Ų | 67.7 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.6 | -34.3 | 175.6 | -72.2 | -45.8 | 0 | 0 | 0 | 113.2 | V37 Q38 T39 K45 F101 K104 L108 | V37-Y41 HydrophobicContact CG1-CD2 4.11Å; V37-Y41 HydrophobicContact CG1-CE2 3.68Å; V37-Y41 PolarHBondContact O-N 3.02Å; V37-Y41 VanDerWaalsContact O-N 3.12Å; Q38-Y41 PolarHBondContact O-N 2.91Å; Q38-Y41 VanDerWaalsContact O-N 3.13Å; T39-Y41 VanDerWaalsContact C-N 3.3Å; T39-Y41 PolarHBondContact O-N 3.36Å; Y41-K45 VanDerWaalsContact O-CB 3.29Å; Y41-K45 WeakPolarHBondContact O-CB 3.44Å; Y41-K45 PolarHBondContact O-N 3.03Å; Y41-F101 AromaticContact CD1-CD1 3.47Å; Y41-F101 HydrophobicContact CD1-CD1 3.47Å; Y41-F101 VanDerWaalsContact CD1-CD1 3.47Å; Y41-F101 AromaticContact CD1-CE1 3.71Å; Y41-F101 HydrophobicContact CD1-CE1 3.71Å; Y41-F101 HydrophobicContact CE1-CD1 4.03Å; Y41-F101 HydrophobicContact CE1-CE1 4.01Å; Y41-F101 HydrophobicContact CG-CD1 4.3Å; Y41-K104 HydrophobicContact CD2-CB 3.87Å; Y41-K104 HydrophobicContact CE2-CB 3.78Å; Y41-K104 HydrophobicContact CE2-CG 4.38Å; Y41-K104 HydrophobicContact CG-CB 4.29Å; Y41-L108 HydrophobicContact CD2-CD1 3.68Å; Y41-L108 HydrophobicContact CE2-CD1 3.82Å |
| 42 | V | 96.4 | Very high | 94.1 | Very high | 54 Ų | 54 | 69.9 Ų | 69.9 | 33% | 0.327 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.2 | -51.7 | 173 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | Q38 T39 A44 K45 D46 I105 | Q38-V42 WeakPolarHBondContact O-CG2 3.28Å; Q38-V42 PolarHBondContact O-N 3.48Å; T39-V42 WeakPolarHBondContact O-CB 3.27Å; T39-V42 PolarHBondContact O-N 3.42Å; T39-V42 VanDerWaalsContact O-N 3.09Å; V42-A44 VanDerWaalsContact C-N 3.33Å; V42-A44 PolarHBondContact O-N 3.45Å; V42-K45 WeakPolarHBondContact O-CB 3.34Å; V42-K45 PolarHBondContact O-N 3.39Å; V42-K45 VanDerWaalsContact O-N 3.16Å; V42-D46 WeakPolarHBondContact O-CB 3.49Å; V42-D46 VanDerWaalsContact O-CG 3.29Å; V42-D46 PolarHBondContact O-N 2.91Å; V42-I105 HydrophobicContact CG2-CD1 3.73Å; V42-I105 HydrophobicContact CG2-CG1 4.13Å |
| 43 | E | 95.7 | Very high | 93.6 | Very high | 113 Ų | 113 | 75.9 Ų | 75.9 | 53% | 0.528 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.7 | -43.3 | 177.6 | -71.2 | 172.6 | 175.9 | 0 | 0 | 112.3 | T39 D46 S47 | T39-E43 HydrophobicContact CG2-CG 4.29Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.31Å; T39-E43 WeakPolarHBondContact O-CG 2.99Å; T39-E43 PolarHBondContact O-N 2.93Å; E43-D46 PolarHBondContact O-N 3.13Å; E43-S47 WeakPolarHBondContact O-CB 3.48Å; E43-S47 PolarHBondContact O-N 3.3Å; E43-S47 PolarHBondContact O-OG 3.06Å |
| 44 | A | 94.4 | Very high | 93.2 | Very high | 32 Ų | 32 | 76 Ų | 76 | 26% | 0.264 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K40 V42 D46 S47 L48 F101 | K40-A44 VanDerWaalsContact O-CB 3.28Å; K40-A44 WeakPolarHBondContact O-CB 3.42Å; K40-A44 PolarHBondContact O-N 3.34Å; V42-A44 VanDerWaalsContact C-N 3.33Å; V42-A44 PolarHBondContact O-N 3.45Å; A44-D46 VanDerWaalsContact C-N 3.33Å; A44-D46 PolarHBondContact O-N 2.96Å; A44-S47 WeakPolarHBondContact O-CB 3.44Å; A44-S47 PolarHBondContact O-N 3.02Å; A44-L48 WeakPolarHBondContact O-CG 3.25Å; A44-L48 PolarHBondContact O-N 3.3Å; A44-L48 VanDerWaalsContact O-N 3.13Å; A44-F101 HydrophobicContact CB-CD2 4.26Å; A44-F101 HydrophobicContact CB-CE1 4.4Å; A44-F101 HydrophobicContact CB-CE2 3.76Å; A44-F101 HydrophobicContact CB-CZ 3.86Å |
| 45 | K | 94.9 | Very high | 92.7 | Very high | 67 Ų | 67 | 75 Ų | 75 | 29% | 0.291 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 176.5 | -179.1 | -169.2 | 165.1 | -155.6 | 0 | 111.9 | Y41 V42 L48 K98 F101 I105 | Y41-K45 VanDerWaalsContact O-CB 3.29Å; Y41-K45 WeakPolarHBondContact O-CB 3.44Å; Y41-K45 PolarHBondContact O-N 3.03Å; V42-K45 WeakPolarHBondContact O-CB 3.34Å; V42-K45 PolarHBondContact O-N 3.39Å; V42-K45 VanDerWaalsContact O-N 3.16Å; K45-L48 WeakPolarHBondContact O-CB 3.38Å; K45-L48 PolarHBondContact O-N 3.27Å; K45-K98 HydrophobicContact CG-CG 4.38Å; K45-F101 HydrophobicContact CB-CB 3.99Å; K45-F101 HydrophobicContact CB-CD2 4.15Å; K45-F101 HydrophobicContact CB-CG 4.47Å; K45-F101 HydrophobicContact CG-CB 4.48Å; K45-I105 HydrophobicContact CD-CD1 4.29Å |
| 46 | D | 93.7 | Very high | 92.5 | Very high | 89 Ų | 89 | 72.1 Ų | 72.1 | 48% | 0.476 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.6 | -38.2 | 179.2 | -68.5 | -15.1 | 0 | 0 | 0 | 110.9 | V42 E43 A44 L48 S49 | V42-D46 WeakPolarHBondContact O-CB 3.49Å; V42-D46 VanDerWaalsContact O-CG 3.29Å; V42-D46 PolarHBondContact O-N 2.91Å; E43-D46 PolarHBondContact O-N 3.13Å; A44-D46 VanDerWaalsContact C-N 3.33Å; A44-D46 PolarHBondContact O-N 2.96Å; D46-L48 VanDerWaalsContact C-N 3.27Å; D46-L48 PolarHBondContact O-N 3.01Å; D46-S49 WeakPolarHBondContact O-CA 3.44Å; D46-S49 VanDerWaalsContact O-CB 3.25Å; D46-S49 WeakPolarHBondContact O-CB 3Å; D46-S49 PolarHBondContact O-N 3.49Å |
| 47 | S | 91.5 | Very high | 92.2 | Very high | 74 Ų | 74 | 70.9 Ų | 70.9 | 52% | 0.517 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.9 | -36.8 | 173.1 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | E43 A44 S49 V50 | E43-S47 WeakPolarHBondContact O-CB 3.48Å; E43-S47 PolarHBondContact O-N 3.3Å; E43-S47 PolarHBondContact O-OG 3.06Å; A44-S47 WeakPolarHBondContact O-CB 3.44Å; A44-S47 PolarHBondContact O-N 3.02Å; S47-S49 PolarHBondContact O-N 3.27Å; S47-V50 WeakPolarHBondContact O-CB 3.47Å; S47-V50 PolarHBondContact O-N 2.94Å; S47-V50 VanDerWaalsContact O-N 3.07Å |
| 48 | L | 92.6 | Very high | 92 | Very high | 14 Ų | 14 | 73.8 Ų | 73.8 | 7% | 0.073 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.6 | -16.8 | 173.4 | -65.7 | 178.6 | 0 | 0 | 0 | 113.9 | A44 K45 D46 V50 L51 V80 V94 T97 K98 F101 | A44-L48 WeakPolarHBondContact O-CG 3.25Å; A44-L48 PolarHBondContact O-N 3.3Å; A44-L48 VanDerWaalsContact O-N 3.13Å; K45-L48 WeakPolarHBondContact O-CB 3.38Å; K45-L48 PolarHBondContact O-N 3.27Å; D46-L48 VanDerWaalsContact C-N 3.27Å; D46-L48 PolarHBondContact O-N 3.01Å; L48-V50 VanDerWaalsContact C-N 3.3Å; L48-L51 HydrophobicContact CD2-CD1 3.87Å; L48-V80 HydrophobicContact CD2-CB 4.37Å; L48-V80 HydrophobicContact CD2-CG1 3.74Å; L48-V80 HydrophobicContact CD2-CG2 4.11Å; L48-V94 HydrophobicContact CB-CG1 4.26Å; L48-T97 HydrophobicContact CD1-CG2 3.54Å; L48-K98 HydrophobicContact CB-CG 4.17Å; L48-K98 HydrophobicContact CD1-CG 3.96Å; L48-K98 WeakPolarHBondContact O-CE 3.4Å; L48-K98 PolarHBondContact O-NZ 2.93Å; L48-F101 HydrophobicContact CD1-CD2 3.87Å; L48-F101 HydrophobicContact CD1-CE2 3.78Å |
| 49 | S | 87.9 | Confident | 91.9 | Very high | 68 Ų | 68 | 78.7 Ų | 78.7 | 48% | 0.476 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -79.5 | -20.1 | 174.7 | -55.5 | 0 | 0 | 0 | 0 | 112 | D46 S47 | D46-S49 WeakPolarHBondContact O-CA 3.44Å; D46-S49 VanDerWaalsContact O-CB 3.25Å; D46-S49 WeakPolarHBondContact O-CB 3Å; D46-S49 PolarHBondContact O-N 3.49Å; S47-S49 PolarHBondContact O-N 3.27Å |
| 50 | V | 87.1 | Confident | 91.6 | Very high | 92 Ų | 92 | 78.7 Ų | 78.7 | 56% | 0.558 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -71.1 | -36.8 | 172.3 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | S47 L48 N52 N55 | S47-V50 WeakPolarHBondContact O-CB 3.47Å; S47-V50 PolarHBondContact O-N 2.94Å; S47-V50 VanDerWaalsContact O-N 3.07Å; L48-V50 VanDerWaalsContact C-N 3.3Å; V50-N52 PolarHBondContact O-N 3.17Å; V50-N52 VanDerWaalsContact O-N 3.13Å; V50-N52 PolarHBondContact O-ND2 3.48Å; V50-N55 PolarHBondContact O-ND2 3.27Å |
| 51 | L | 88.4 | Confident | 91.5 | Very high | 41 Ų | 41 | 77.8 Ų | 77.8 | 22% | 0.215 | 43% | 0.426 | C | S | . | . | trans | -64.5 | 109.5 | 177 | -58.9 | 178.9 | 0 | 0 | 0 | 111.2 | L48 L74 V77 V80 V94 | L48-L51 HydrophobicContact CD2-CD1 3.87Å; L51-L74 HydrophobicContact CD2-CD1 3.94Å; L51-L74 HydrophobicContact CD2-CD2 3.79Å; L51-L74 HydrophobicContact CD2-CG 4.48Å; L51-V77 HydrophobicContact CB-CB 4.43Å; L51-V80 HydrophobicContact CD1-CG1 3.64Å; L51-V94 HydrophobicContact CD1-CG2 4.3Å | ||
| 52 | N | 87.1 | Confident | 91.3 | Very high | 63 Ų | 63 | 77.9 Ų | 77.9 | 34% | 0.337 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -155.7 | 168.1 | 178.4 | 63.7 | 66.8 | 0 | 0 | 0 | 111.6 | V50 N54 N55 A56 | V50-N52 PolarHBondContact O-N 3.17Å; V50-N52 VanDerWaalsContact O-N 3.13Å; V50-N52 PolarHBondContact O-ND2 3.48Å; N52-N54 PolarHBondContact O-N 3.42Å; N52-N54 WeakPolarHBondContact OD1-CA 3.33Å; N52-N54 VanDerWaalsContact OD1-CB 3.24Å; N52-N54 WeakPolarHBondContact OD1-CB 3.4Å; N52-N54 PolarHBondContact OD1-N 3.07Å; N52-N55 PolarHBondContact N-OD1 3.38Å; N52-N55 PolarHBondContact O-N 3.3Å; N52-N55 PolarHBondContact O-OD1 3.02Å; N52-A56 PolarHBondContact O-N 3.43Å |
| 53 | K | 86.6 | Confident | 91.3 | Very high | 159 Ų | 159 | 79.2 Ų | 79.2 | 69% | 0.691 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22.6 | -175.1 | -62.2 | -168.7 | 177.5 | -167.7 | 0 | 114.3 | N55 E78 | K53-N55 VanDerWaalsContact C-N 3.27Å; K53-N55 PolarHBondContact O-N 2.99Å; K53-E78 VanDerWaalsContact CE-OE1 3.32Å; K53-E78 WeakPolarHBondContact CE-OE1 3.45Å; K53-E78 IonicContact NZ-OE1 3.44Å; K53-E78 PolarHBondContact NZ-OE1 3.33Å |
| 54 | N | 87.6 | Confident | 91.2 | Very high | 129 Ų | 129 | 79.7 Ų | 79.7 | 69% | 0.69 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -9.5 | 179 | -55.3 | -32.4 | 0 | 0 | 0 | 113.4 | N52 K58 | N52-N54 PolarHBondContact O-N 3.42Å; N52-N54 WeakPolarHBondContact OD1-CA 3.33Å; N52-N54 VanDerWaalsContact OD1-CB 3.24Å; N52-N54 WeakPolarHBondContact OD1-CB 3.4Å; N52-N54 PolarHBondContact OD1-N 3.07Å; N54-K58 WeakPolarHBondContact O-CE 3.49Å; N54-K58 PolarHBondContact O-NZ 2.98Å |
| 55 | N | 87.6 | Confident | 91.2 | Very high | 22 Ų | 22 | 82.2 Ų | 82.2 | 12% | 0.118 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -0.1 | 175.8 | 72.5 | -1.3 | 0 | 0 | 0 | 115.1 | V50 N52 K53 G57 K58 L74 | V50-N55 PolarHBondContact O-ND2 3.27Å; N52-N55 PolarHBondContact N-OD1 3.38Å; N52-N55 PolarHBondContact O-N 3.3Å; N52-N55 PolarHBondContact O-OD1 3.02Å; K53-N55 VanDerWaalsContact C-N 3.27Å; K53-N55 PolarHBondContact O-N 2.99Å; N55-G57 PolarHBondContact O-N 3.08Å; N55-K58 HydrophobicContact CB-CD 4.02Å; N55-K58 WeakPolarHBondContact O-CB 3.5Å; N55-K58 PolarHBondContact O-N 3.33Å; N55-K58 VanDerWaalsContact O-N 3.1Å; N55-L74 HydrophobicContact CB-CD2 4.32Å; N55-L74 WeakPolarHBondContact OD1-CD2 3.38Å |
| 56 | A | 90.7 | Very high | 91 | Very high | 48 Ų | 48 | 84.5 Ų | 84.5 | 40% | 0.397 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 135.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | N52 K58 V77 | N52-A56 PolarHBondContact O-N 3.43Å; A56-K58 VanDerWaalsContact C-N 3.26Å; A56-K58 PolarHBondContact O-N 2.87Å; A56-V77 HydrophobicContact CB-CG1 4.07Å; A56-V77 HydrophobicContact CB-CG2 4.45Å |
| 57 | G | 91.4 | Very high | 91 | Very high | 57 Ų | 57 | 85.8 Ų | 85.8 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | -1.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | N55 T73 L74 | N55-G57 PolarHBondContact O-N 3.08Å; G57-T73 WeakPolarHBondContact O-CG2 3.29Å; G57-L74 PolarHBondContact N-O 3.13Å |
| 58 | K | 92.9 | Very high | 91.3 | Very high | 121 Ų | 121 | 87.5 Ų | 87.5 | 53% | 0.526 | 50% | 0.502 | S | S | . | . | trans | -80.2 | 150 | 176.8 | -68.2 | -172.2 | 177 | 159 | 0 | 111.8 | N54 N55 A56 L74 | N54-K58 WeakPolarHBondContact O-CE 3.49Å; N54-K58 PolarHBondContact O-NZ 2.98Å; N55-K58 HydrophobicContact CB-CD 4.02Å; N55-K58 WeakPolarHBondContact O-CB 3.5Å; N55-K58 PolarHBondContact O-N 3.33Å; N55-K58 VanDerWaalsContact O-N 3.1Å; A56-K58 VanDerWaalsContact C-N 3.26Å; A56-K58 PolarHBondContact O-N 2.87Å; K58-L74 PolarHBondContact O-N 2.85Å | ||
| 59 | E | 93.6 | Very high | 91.5 | Very high | 146 Ų | 146 | 93.4 Ų | 93.4 | 68% | 0.682 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 138.9 | 173.7 | -163.2 | 176.6 | 177.4 | 0 | 0 | 110.6 | P71 G72 | E59-P71 HydrophobicContact CG-CB 4.25Å; E59-P71 WeakPolarHBondContact OE1-CB 3.38Å; E59-G72 CarbonylContact C-O 3.5Å; E59-G72 VanDerWaalsContact CA-O 3.3Å; E59-G72 WeakPolarHBondContact CA-O 3.44Å |
| 60 | L | 92 | Very high | 92 | Very high | 67 Ų | 67 | 93.3 Ų | 93.3 | 35% | 0.351 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.3 | 175.2 | 71.6 | 115.7 | 0 | 0 | 0 | 110.4 | V62 G72 L74 | L60-V62 HydrophobicContact CD1-CG2 3.31Å; L60-V62 HydrophobicContact CG-CG2 4.28Å; L60-G72 PolarHBondContact N-O 2.94Å; L60-G72 PolarHBondContact O-N 3.33Å; L60-L74 HydrophobicContact CD2-CB 3.56Å; L60-L74 HydrophobicContact CD2-CD1 4.14Å; L60-L74 HydrophobicContact CD2-CG 4.33Å |
| 61 | L | 93.4 | Very high | 92.4 | Very high | 114 Ų | 114 | 92.5 Ų | 92.5 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 119.1 | 175.2 | -67.2 | 179.4 | 0 | 0 | 0 | 109.3 | Y69 P71 | L61-Y69 HydrophobicContact CB-CD1 4.17Å; L61-P71 HydrophobicContact CD2-CB 4.25Å |
| 62 | V | 92.6 | Very high | 92.6 | Very high | 66 Ų | 66 | 91.9 Ų | 91.9 | 40% | 0.4 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 131.5 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | L60 L64 Y69 V70 | L60-V62 HydrophobicContact CD1-CG2 3.31Å; L60-V62 HydrophobicContact CG-CG2 4.28Å; V62-L64 PolarHBondContact O-N 2.9Å; V62-Y69 CarbonylContact O-C 3.6Å; V62-Y69 WeakPolarHBondContact O-CA 3.37Å; V62-V70 HydrophobicContact CB-CG1 4.31Å; V62-V70 PolarHBondContact N-O 2.89Å; V62-V70 PolarHBondContact O-N 2.67Å |
| 63 | P | 94.6 | Very high | 93 | Very high | 82 Ų | 82 | 93.7 Ų | 93.7 | 53% | 0.532 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 122.9 | 174.2 | 26.7 | -33.1 | 0 | 0 | 0 | 110.2 | Y69 | P63-Y69 HydrophobicContact CB-CD1 4.07Å; P63-Y69 HydrophobicContact CB-CE1 3.75Å; P63-Y69 HydrophobicContact CG-CE1 4.36Å |
| 64 | L | 93.7 | Very high | 93.3 | Very high | 123 Ų | 123 | 87.6 Ų | 87.6 | 64% | 0.644 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -37.7 | 171.8 | -174.5 | 64.9 | 0 | 0 | 0 | 110.8 | V62 M68 | V62-L64 PolarHBondContact O-N 2.9Å; L64-M68 HydrophobicContact CD2-SD 4.1Å; L64-M68 PolarHBondContact N-O 3.33Å |
| 65 | T | 95.3 | Very high | 93.4 | Very high | 84 Ų | 84 | 88.7 Ų | 88.7 | 52% | 0.515 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 179.4 | 173.1 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | S67 M68 | T65-S67 PolarHBondContact O-N 2.93Å; T65-M68 HydrophobicContact CG2-CB 3.59Å; T65-M68 PolarHBondContact N-O 3.4Å; T65-M68 PolarHBondContact O-N 3.05Å |
| 66 | S | 91.4 | Very high | 93.6 | Very high | 116 Ų | 116 | 90.8 Ų | 90.8 | 81% | 0.811 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -23.5 | -172.3 | -52.2 | 0 | 0 | 0 | 0 | 115.3 | ||
| 67 | S | 93.8 | Very high | 93.8 | Very high | 116 Ų | 116 | 89.2 Ų | 89.2 | 81% | 0.811 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.7 | 15 | -178.1 | -51.5 | 0 | 0 | 0 | 0 | 114 | T65 | T65-S67 PolarHBondContact O-N 2.93Š|
| 68 | M | 97.3 | Very high | 93.9 | Very high | 109 Ų | 109 | 91.3 Ų | 91.3 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 132.8 | -177.8 | -167.3 | -178.5 | -67.3 | 0 | 0 | 110.7 | L64 T65 | L64-M68 HydrophobicContact CD2-SD 4.1Å; L64-M68 PolarHBondContact N-O 3.33Å; T65-M68 HydrophobicContact CG2-CB 3.59Å; T65-M68 PolarHBondContact N-O 3.4Å; T65-M68 PolarHBondContact O-N 3.05Å |
| 69 | Y | 96.8 | Very high | 94 | Very high | 138 Ų | 138 | 89.2 Ų | 89.2 | 54% | 0.541 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 145.2 | 177.7 | -67.7 | -99.2 | 0 | 0 | 0 | 109.7 | L61 V62 P63 | L61-Y69 HydrophobicContact CB-CD1 4.17Å; V62-Y69 CarbonylContact O-C 3.6Å; V62-Y69 WeakPolarHBondContact O-CA 3.37Å; P63-Y69 HydrophobicContact CB-CD1 4.07Å; P63-Y69 HydrophobicContact CB-CE1 3.75Å; P63-Y69 HydrophobicContact CG-CE1 4.36Å |
| 70 | V | 97.3 | Very high | 94.1 | Very high | 66 Ų | 66 | 83.5 Ų | 83.5 | 40% | 0.4 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.4 | 175.1 | 68.3 | 0 | 0 | 0 | 0 | 109.3 | V62 | V62-V70 HydrophobicContact CB-CG1 4.31Å; V62-V70 PolarHBondContact N-O 2.89Å; V62-V70 PolarHBondContact O-N 2.67Å |
| 71 | P | 96 | Very high | 94.3 | Very high | 76 Ų | 76 | 86.1 Ų | 86.1 | 49% | 0.494 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 142.4 | 171.3 | 28.1 | -33.8 | 0 | 0 | 0 | 111.1 | E59 L61 | E59-P71 HydrophobicContact CG-CB 4.25Å; E59-P71 WeakPolarHBondContact OE1-CB 3.38Å; L61-P71 HydrophobicContact CD2-CB 4.25Å |
| 72 | G | 94.1 | Very high | 94.4 | Very high | 27 Ų | 27 | 80.9 Ų | 80.9 | 28% | 0.278 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 162.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | E59 L60 | E59-G72 CarbonylContact C-O 3.5Å; E59-G72 VanDerWaalsContact CA-O 3.3Å; E59-G72 WeakPolarHBondContact CA-O 3.44Å; L60-G72 PolarHBondContact N-O 2.94Å; L60-G72 PolarHBondContact O-N 3.33Å |
| 73 | T | 94.4 | Very high | 94.5 | Very high | 101 Ų | 101 | 81.7 Ų | 81.7 | 62% | 0.62 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.6 | -179.3 | -52.1 | 0 | 0 | 0 | 0 | 110.6 | G57 N75 | G57-T73 WeakPolarHBondContact O-CG2 3.29Å; T73-N75 PolarHBondContact O-N 3.12Å |
| 74 | L | 92.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 80.9 Ų | 80.9 | 16% | 0.162 | 46% | 0.455 | C | S | . | . | trans | -75.8 | 103.3 | 178.4 | -173 | 56.3 | 0 | 0 | 0 | 110.8 | L51 N55 G57 K58 L60 V77 | L51-L74 HydrophobicContact CD2-CD1 3.94Å; L51-L74 HydrophobicContact CD2-CD2 3.79Å; L51-L74 HydrophobicContact CD2-CG 4.48Å; N55-L74 HydrophobicContact CB-CD2 4.32Å; N55-L74 WeakPolarHBondContact OD1-CD2 3.38Å; G57-L74 PolarHBondContact N-O 3.13Å; K58-L74 PolarHBondContact O-N 2.85Å; L60-L74 HydrophobicContact CD2-CB 3.56Å; L60-L74 HydrophobicContact CD2-CD1 4.14Å; L60-L74 HydrophobicContact CD2-CG 4.33Å; L74-V77 HydrophobicContact CD2-CG1 3.8Å; L74-V77 HydrophobicContact CG-CG1 3.86Å | ||
| 75 | N | 90.7 | Very high | 94.1 | Very high | 152 Ų | 152 | 76.4 Ų | 76.4 | 81% | 0.813 | 44% | 0.439 | S | S | * | . | trans | -90.5 | -51.9 | -176.5 | -171.8 | 52.3 | 0 | 0 | 0 | 113.6 | T73 | T73-N75 PolarHBondContact O-N 3.12Š| ||
| 76 | D | 92.3 | Very high | 94 | Very high | 66 Ų | 66 | 78.9 Ų | 78.9 | 35% | 0.353 | 45% | 0.454 | S | S | . | . | trans | -105.6 | 129.3 | -179.9 | -166.1 | -14.4 | 0 | 0 | 0 | 110.3 | E78 H79 | D76-E78 PolarHBondContact OD1-N 3.05Å; D76-H79 PolarHBondContact OD1-N 3.41Å; D76-H79 VanDerWaalsContact OD1-N 3.11Å; D76-H79 IonicContact OD1-ND1 3.9Å; D76-H79 WeakPolarHBondContact OD2-CB 3.39Å; D76-H79 IonicContact OD2-CG 3.61Å; D76-H79 IonicContact OD2-ND1 3.7Å; D76-H79 PolarHBondContact OD2-ND1 3.29Å | ||
| 77 | V | 94 | Very high | 94.1 | Very high | 16 Ų | 16 | 76.3 Ų | 76.3 | 10% | 0.097 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -119.1 | -0.4 | 178 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | L51 A56 L74 V94 | L51-V77 HydrophobicContact CB-CB 4.43Å; A56-V77 HydrophobicContact CB-CG1 4.07Å; A56-V77 HydrophobicContact CB-CG2 4.45Å; L74-V77 HydrophobicContact CD2-CG1 3.8Å; L74-V77 HydrophobicContact CG-CG1 3.86Å; V77-V94 WeakPolarHBondContact O-CG2 3.4Å |
| 78 | E | 94.3 | Very high | 94.1 | Very high | 100 Ų | 100 | 78.3 Ų | 78.3 | 47% | 0.467 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -103 | -29.7 | -177.7 | -61.1 | -168.5 | 167.9 | 0 | 0 | 111.6 | K53 D76 N93 V94 | K53-E78 VanDerWaalsContact CE-OE1 3.32Å; K53-E78 WeakPolarHBondContact CE-OE1 3.45Å; K53-E78 IonicContact NZ-OE1 3.44Å; K53-E78 PolarHBondContact NZ-OE1 3.33Å; D76-E78 PolarHBondContact OD1-N 3.05Å; E78-N93 CarbonylContact O-C 3.47Å; E78-N93 WeakPolarHBondContact O-CA 3.49Å; E78-V94 WeakPolarHBondContact O-CG2 3.34Å; E78-V94 PolarHBondContact O-N 2.94Å |
| 79 | H | 95.2 | Very high | 94.1 | Very high | 78 Ų | 78 | 79.8 Ų | 79.8 | 36% | 0.361 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146 | 179.4 | -49.9 | 89.8 | 0 | 0 | 0 | 113.2 | D76 E91 K92 | D76-H79 PolarHBondContact OD1-N 3.41Å; D76-H79 VanDerWaalsContact OD1-N 3.11Å; D76-H79 IonicContact OD1-ND1 3.9Å; D76-H79 WeakPolarHBondContact OD2-CB 3.39Å; D76-H79 IonicContact OD2-CG 3.61Å; D76-H79 IonicContact OD2-ND1 3.7Å; D76-H79 PolarHBondContact OD2-ND1 3.29Å; H79-E91 HydrophobicContact CB-CG 4.04Å; H79-E91 WeakPolarHBondContact CB-OE1 3.44Å; H79-E91 IonicContact CG-OE1 3.59Å; H79-K92 CarbonylContact C-O 3.6Å; H79-K92 WeakPolarHBondContact CA-O 3.45Å |
| 80 | V | 95.5 | Very high | 94 | Very high | 26 Ų | 26 | 76.1 Ų | 76.1 | 16% | 0.158 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 150.6 | 177.8 | -66.7 | 0 | 0 | 0 | 0 | 110.7 | L48 L51 V82 E91 K92 V94 T97 | L48-V80 HydrophobicContact CD2-CB 4.37Å; L48-V80 HydrophobicContact CD2-CG1 3.74Å; L48-V80 HydrophobicContact CD2-CG2 4.11Å; L51-V80 HydrophobicContact CD1-CG1 3.64Å; V80-V82 HydrophobicContact CG2-CG2 4.11Å; V80-E91 WeakPolarHBondContact O-CA 3.45Å; V80-K92 PolarHBondContact N-O 2.95Å; V80-K92 PolarHBondContact O-N 2.79Å; V80-V94 HydrophobicContact CG1-CG2 4.01Å; V80-T97 HydrophobicContact CG2-CG2 3.88Å; V80-T97 VanDerWaalsContact CG2-OG1 3.32Å; V80-T97 WeakPolarHBondContact CG2-OG1 3.5Å |
| 81 | L | 95.6 | Very high | 94 | Very high | 121 Ų | 121 | 79.1 Ų | 79.1 | 63% | 0.634 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 124.3 | 174.7 | -166.4 | 69.4 | 0 | 0 | 0 | 110 | Y89 | L81-Y89 HydrophobicContact CD2-CD1 3.88Å; L81-Y89 HydrophobicContact CD2-CG 4.01Å; L81-Y89 HydrophobicContact CG-CD1 3.94Å; L81-Y89 HydrophobicContact CG-CG 4.18Å |
| 82 | V | 95.6 | Very high | 94 | Very high | 5 Ų | 5 | 78.3 Ų | 78.3 | 3% | 0.03 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 125 | -176 | -172.5 | 0 | 0 | 0 | 0 | 110.2 | V80 V84 Y89 V90 K92 T97 F100 | V80-V82 HydrophobicContact CG2-CG2 4.11Å; V82-V84 PolarHBondContact O-N 2.92Å; V82-Y89 WeakPolarHBondContact O-CA 3.35Å; V82-V90 PolarHBondContact N-O 3.48Å; V82-V90 PolarHBondContact O-N 3.04Å; V82-K92 HydrophobicContact CG2-CB 4.14Å; V82-K92 HydrophobicContact CG2-CD 4.33Å; V82-K92 HydrophobicContact CG2-CG 4.34Å; V82-T97 HydrophobicContact CG2-CG2 3.47Å; V82-T97 VanDerWaalsContact CG2-CG2 3.47Å; V82-T97 WeakPolarHBondContact CG2-OG1 3.42Å; V82-F100 HydrophobicContact CG1-CD1 3.87Å; V82-F100 HydrophobicContact CG1-CE1 3.68Å; V82-F100 HydrophobicContact CG1-CZ 4.28Å |
| 83 | D | 94.1 | Very high | 94.2 | Very high | 82 Ų | 82 | 79.7 Ų | 79.7 | 44% | 0.439 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 119.2 | 168.9 | -173.9 | -9 | 0 | 0 | 0 | 109.9 | G85 Y89 | D83-G85 WeakPolarHBondContact OD1-CA 3.41Å; D83-G85 PolarHBondContact OD1-N 2.98Å; D83-Y89 HydrophobicContact CB-CD1 3.98Å; D83-Y89 HydrophobicContact CB-CE1 3.62Å |
| 84 | V | 91.3 | Very high | 94.2 | Very high | 66 Ų | 66 | 75.4 Ų | 75.4 | 40% | 0.4 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -1.2 | 177.9 | -63.9 | 0 | 0 | 0 | 0 | 113 | V82 Y88 V90 | V82-V84 PolarHBondContact O-N 2.92Å; V84-Y88 WeakPolarHBondContact CG2-O 3.44Å; V84-Y88 PolarHBondContact N-O 3.49Å; V84-V90 HydrophobicContact CG1-CB 4.37Å; V84-V90 HydrophobicContact CG1-CG2 4.11Å; V84-V90 HydrophobicContact CG2-CG2 3.95Å |
| 85 | G | 89.1 | Confident | 94.3 | Very high | 28 Ų | 28 | 79.3 Ų | 79.3 | 29% | 0.289 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 108.1 | 169.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D83 G87 Y88 | D83-G85 WeakPolarHBondContact OD1-CA 3.41Å; D83-G85 PolarHBondContact OD1-N 2.98Å; G85-G87 PolarHBondContact O-N 3.17Å; G85-Y88 PolarHBondContact O-N 3.47Å |
| 86 | T | 92.8 | Very high | 94.5 | Very high | 137 Ų | 137 | 75.7 Ų | 75.7 | 84% | 0.84 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 21.9 | 178.2 | 55 | 0 | 0 | 0 | 0 | 114.8 | Y88 | T86-Y88 WeakPolarHBondContact O-CD2 3.23Å; T86-Y88 WeakPolarHBondContact OG1-CD2 3.5Å |
| 87 | G | 92.9 | Very high | 94.7 | Very high | 62 Ų | 62 | 72.6 Ų | 72.6 | 64% | 0.639 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 11.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G85 | G85-G87 PolarHBondContact O-N 3.17Š|
| 88 | Y | 95.8 | Very high | 94.8 | Very high | 157 Ų | 157 | 74.4 Ų | 74.4 | 62% | 0.616 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 136.4 | 177.7 | -70.4 | -91.5 | 0 | 0 | 0 | 111.9 | V84 G85 T86 | V84-Y88 WeakPolarHBondContact CG2-O 3.44Å; V84-Y88 PolarHBondContact N-O 3.49Å; G85-Y88 PolarHBondContact O-N 3.47Å; T86-Y88 WeakPolarHBondContact O-CD2 3.23Å; T86-Y88 WeakPolarHBondContact OG1-CD2 3.5Å |
| 89 | Y | 96 | Very high | 94.9 | Very high | 140 Ų | 140 | 75.5 Ų | 75.5 | 55% | 0.549 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 137.4 | 175.6 | -68.1 | -91.5 | 0 | 0 | 0 | 109.9 | L81 V82 D83 | L81-Y89 HydrophobicContact CD2-CD1 3.88Å; L81-Y89 HydrophobicContact CD2-CG 4.01Å; L81-Y89 HydrophobicContact CG-CD1 3.94Å; L81-Y89 HydrophobicContact CG-CG 4.18Å; V82-Y89 WeakPolarHBondContact O-CA 3.35Å; D83-Y89 HydrophobicContact CB-CD1 3.98Å; D83-Y89 HydrophobicContact CB-CE1 3.62Å |
| 90 | V | 95.9 | Very high | 94.9 | Very high | 61 Ų | 61 | 72.9 Ų | 72.9 | 37% | 0.37 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.5 | 179.5 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | V82 V84 K92 | V82-V90 PolarHBondContact N-O 3.48Å; V82-V90 PolarHBondContact O-N 3.04Å; V84-V90 HydrophobicContact CG1-CB 4.37Å; V84-V90 HydrophobicContact CG1-CG2 4.11Å; V84-V90 HydrophobicContact CG2-CG2 3.95Å; V90-K92 HydrophobicContact CG1-CG 4.18Å |
| 91 | E | 97 | Very high | 94.9 | Very high | 130 Ų | 130 | 72.9 Ų | 72.9 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 129.2 | 171.4 | -170.7 | 176.5 | 164.6 | 0 | 0 | 109.8 | H79 V80 | H79-E91 HydrophobicContact CB-CG 4.04Å; H79-E91 WeakPolarHBondContact CB-OE1 3.44Å; H79-E91 IonicContact CG-OE1 3.59Å; V80-E91 WeakPolarHBondContact O-CA 3.45Å |
| 92 | K | 96.3 | Very high | 95 | Very high | 59 Ų | 59 | 72.4 Ų | 72.4 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 154.8 | -179.3 | -65.9 | -167 | 176.2 | -147.6 | 0 | 110.2 | H79 V80 V82 V90 T97 | H79-K92 CarbonylContact C-O 3.6Å; H79-K92 WeakPolarHBondContact CA-O 3.45Å; V80-K92 PolarHBondContact N-O 2.95Å; V80-K92 PolarHBondContact O-N 2.79Å; V82-K92 HydrophobicContact CG2-CB 4.14Å; V82-K92 HydrophobicContact CG2-CD 4.33Å; V82-K92 HydrophobicContact CG2-CG 4.34Å; V90-K92 HydrophobicContact CG1-CG 4.18Å; K92-T97 WeakPolarHBondContact CB-OG1 3.41Å |
| 93 | N | 96.4 | Very high | 95.1 | Very high | 56 Ų | 56 | 79.5 Ų | 79.5 | 30% | 0.299 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 157.4 | 170.2 | 78.3 | 49.5 | 0 | 0 | 0 | 110.8 | E78 N95 D96 T97 | E78-N93 CarbonylContact O-C 3.47Å; E78-N93 WeakPolarHBondContact O-CA 3.49Å; N93-N95 VanDerWaalsContact C-N 3.31Å; N93-N95 PolarHBondContact O-N 3.49Å; N93-N95 WeakPolarHBondContact OD1-CA 3.36Å; N93-N95 PolarHBondContact OD1-N 3.38Å; N93-D96 VanDerWaalsContact CG-CG 3.46Å; N93-D96 PolarHBondContact ND2-OD1 3Å; N93-D96 VanDerWaalsContact ND2-OD1 3.08Å; N93-D96 PolarHBondContact ND2-OD2 3.35Å; N93-D96 WeakPolarHBondContact OD1-CB 3.43Å; N93-D96 VanDerWaalsContact OD1-CG 3.25Å; N93-D96 PolarHBondContact OD1-N 3.43Å; N93-D96 PolarHBondContact OD1-OD1 3.46Å; N93-T97 WeakPolarHBondContact O-CB 3.37Å; N93-T97 PolarHBondContact O-N 2.72Å; N93-T97 VanDerWaalsContact O-N 3.08Å; N93-T97 PolarHBondContact O-OG1 2.85Å |
| 94 | V | 95.1 | Very high | 95.2 | Very high | 11 Ų | 11 | 79.4 Ų | 79.4 | 7% | 0.067 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61 | -36.4 | -177.8 | 165.6 | 0 | 0 | 0 | 0 | 112.7 | L48 L51 V77 E78 V80 T97 K98 | L48-V94 HydrophobicContact CB-CG1 4.26Å; L51-V94 HydrophobicContact CD1-CG2 4.3Å; V77-V94 WeakPolarHBondContact O-CG2 3.4Å; E78-V94 WeakPolarHBondContact O-CG2 3.34Å; E78-V94 PolarHBondContact O-N 2.94Å; V80-V94 HydrophobicContact CG1-CG2 4.01Å; V94-T97 PolarHBondContact O-N 3.31Å; V94-K98 HydrophobicContact CG1-CD 4.28Å; V94-K98 WeakPolarHBondContact O-CG 3.37Å; V94-K98 PolarHBondContact O-N 2.91Å |
| 95 | N | 94.2 | Very high | 95.4 | Very high | 112 Ų | 112 | 77.4 Ų | 77.4 | 60% | 0.599 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -70.2 | -49.4 | -177.3 | -68.8 | -30 | 0 | 0 | 0 | 111.8 | N93 T97 K98 E99 | N93-N95 VanDerWaalsContact C-N 3.31Å; N93-N95 PolarHBondContact O-N 3.49Å; N93-N95 WeakPolarHBondContact OD1-CA 3.36Å; N93-N95 PolarHBondContact OD1-N 3.38Å; N95-T97 PolarHBondContact O-N 2.94Å; N95-K98 WeakPolarHBondContact O-CB 3.49Å; N95-K98 PolarHBondContact O-N 3.29Å; N95-K98 VanDerWaalsContact O-N 3.09Å; N95-E99 PolarHBondContact O-N 3.42Å |
| 96 | D | 95.7 | Very high | 95.9 | Very high | 77 Ų | 77 | 79.1 Ų | 79.1 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.9 | -35.7 | 174.1 | -67.2 | 8.1 | 0 | 0 | 0 | 110.9 | N93 E99 F100 | N93-D96 VanDerWaalsContact CG-CG 3.46Å; N93-D96 PolarHBondContact ND2-OD1 3Å; N93-D96 VanDerWaalsContact ND2-OD1 3.08Å; N93-D96 PolarHBondContact ND2-OD2 3.35Å; N93-D96 WeakPolarHBondContact OD1-CB 3.43Å; N93-D96 VanDerWaalsContact OD1-CG 3.25Å; N93-D96 PolarHBondContact OD1-N 3.43Å; N93-D96 PolarHBondContact OD1-OD1 3.46Å; D96-E99 PolarHBondContact O-N 3.27Å; D96-F100 WeakPolarHBondContact O-CB 3.38Å; D96-F100 PolarHBondContact O-N 2.81Å |
| 97 | T | 96.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.5 | -40 | 177.1 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | L48 V80 V82 K92 N93 V94 N95 E99 F100 F101 | L48-T97 HydrophobicContact CD1-CG2 3.54Å; V80-T97 HydrophobicContact CG2-CG2 3.88Å; V80-T97 VanDerWaalsContact CG2-OG1 3.32Å; V80-T97 WeakPolarHBondContact CG2-OG1 3.5Å; V82-T97 HydrophobicContact CG2-CG2 3.47Å; V82-T97 VanDerWaalsContact CG2-CG2 3.47Å; V82-T97 WeakPolarHBondContact CG2-OG1 3.42Å; K92-T97 WeakPolarHBondContact CB-OG1 3.41Å; N93-T97 WeakPolarHBondContact O-CB 3.37Å; N93-T97 PolarHBondContact O-N 2.72Å; N93-T97 VanDerWaalsContact O-N 3.08Å; N93-T97 PolarHBondContact O-OG1 2.85Å; V94-T97 PolarHBondContact O-N 3.31Å; N95-T97 PolarHBondContact O-N 2.94Å; T97-E99 VanDerWaalsContact C-N 3.3Å; T97-E99 PolarHBondContact O-N 3.39Å; T97-F100 WeakPolarHBondContact O-CB 3.49Å; T97-F100 PolarHBondContact O-N 3.49Å; T97-F101 HydrophobicContact CG2-CD2 3.98Å; T97-F101 HydrophobicContact CG2-CE2 3.59Å; T97-F101 HydrophobicContact CG2-CZ 4.11Å; T97-F101 WeakPolarHBondContact O-CD2 3.48Å; T97-F101 PolarHBondContact O-N 2.92Å |
| 98 | K | 95.8 | Very high | 96.2 | Very high | 54 Ų | 54 | 75.8 Ų | 75.8 | 24% | 0.235 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 172.4 | -74.2 | 173.4 | -177.8 | 175.4 | 0 | 111.5 | K45 L48 V94 N95 K102 | K45-K98 HydrophobicContact CG-CG 4.38Å; L48-K98 HydrophobicContact CB-CG 4.17Å; L48-K98 HydrophobicContact CD1-CG 3.96Å; L48-K98 WeakPolarHBondContact O-CE 3.4Å; L48-K98 PolarHBondContact O-NZ 2.93Å; V94-K98 HydrophobicContact CG1-CD 4.28Å; V94-K98 WeakPolarHBondContact O-CG 3.37Å; V94-K98 PolarHBondContact O-N 2.91Å; N95-K98 WeakPolarHBondContact O-CB 3.49Å; N95-K98 PolarHBondContact O-N 3.29Å; N95-K98 VanDerWaalsContact O-N 3.09Å; K98-K102 WeakPolarHBondContact O-CB 3.38Å; K98-K102 PolarHBondContact O-N 3.02Å |
| 99 | E | 96.3 | Very high | 96.3 | Very high | 122 Ų | 122 | 70.3 Ų | 70.3 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.2 | -38.5 | 174.3 | -68.5 | -170.8 | 171.6 | 0 | 0 | 112.7 | N95 D96 T97 K102 R103 | N95-E99 PolarHBondContact O-N 3.42Å; D96-E99 PolarHBondContact O-N 3.27Å; T97-E99 VanDerWaalsContact C-N 3.3Å; T97-E99 PolarHBondContact O-N 3.39Å; E99-K102 PolarHBondContact O-N 2.84Å; E99-R103 WeakPolarHBondContact O-CG 3.46Å; E99-R103 PolarHBondContact O-N 3.36Å |
| 100 | F | 95.5 | Very high | 96.4 | Very high | 23 Ų | 23 | 69.8 Ų | 69.8 | 10% | 0.101 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.4 | -51 | 173.1 | 174.2 | -96.5 | 0 | 0 | 0 | 111.4 | V82 D96 T97 K102 R103 K104 | V82-F100 HydrophobicContact CG1-CD1 3.87Å; V82-F100 HydrophobicContact CG1-CE1 3.68Å; V82-F100 HydrophobicContact CG1-CZ 4.28Å; D96-F100 WeakPolarHBondContact O-CB 3.38Å; D96-F100 PolarHBondContact O-N 2.81Å; T97-F100 WeakPolarHBondContact O-CB 3.49Å; T97-F100 PolarHBondContact O-N 3.49Å; F100-K102 PolarHBondContact O-N 3.16Å; F100-R103 PolarHBondContact O-N 3.46Å; F100-K104 HydrophobicContact CD1-CG 4.48Å; F100-K104 HydrophobicContact CE1-CG 4.14Å; F100-K104 HydrophobicContact CE2-CG 4.49Å; F100-K104 HydrophobicContact CZ-CD 4.49Å; F100-K104 HydrophobicContact CZ-CG 4.17Å; F100-K104 WeakPolarHBondContact O-CG 3.29Å; F100-K104 PolarHBondContact O-N 3.39Å |
| 101 | F | 96.1 | Very high | 96.3 | Very high | 27 Ų | 27 | 69.7 Ų | 69.7 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 177.1 | -69.2 | -42.1 | 0 | 0 | 0 | 112.3 | Y41 A44 K45 L48 T97 R103 K104 I105 | Y41-F101 AromaticContact CD1-CD1 3.47Å; Y41-F101 HydrophobicContact CD1-CD1 3.47Å; Y41-F101 VanDerWaalsContact CD1-CD1 3.47Å; Y41-F101 AromaticContact CD1-CE1 3.71Å; Y41-F101 HydrophobicContact CD1-CE1 3.71Å; Y41-F101 HydrophobicContact CE1-CD1 4.03Å; Y41-F101 HydrophobicContact CE1-CE1 4.01Å; Y41-F101 HydrophobicContact CG-CD1 4.3Å; A44-F101 HydrophobicContact CB-CD2 4.26Å; A44-F101 HydrophobicContact CB-CE1 4.4Å; A44-F101 HydrophobicContact CB-CE2 3.76Å; A44-F101 HydrophobicContact CB-CZ 3.86Å; K45-F101 HydrophobicContact CB-CB 3.99Å; K45-F101 HydrophobicContact CB-CD2 4.15Å; K45-F101 HydrophobicContact CB-CG 4.47Å; K45-F101 HydrophobicContact CG-CB 4.48Å; L48-F101 HydrophobicContact CD1-CD2 3.87Å; L48-F101 HydrophobicContact CD1-CE2 3.78Å; T97-F101 HydrophobicContact CG2-CD2 3.98Å; T97-F101 HydrophobicContact CG2-CE2 3.59Å; T97-F101 HydrophobicContact CG2-CZ 4.11Å; T97-F101 WeakPolarHBondContact O-CD2 3.48Å; T97-F101 PolarHBondContact O-N 2.92Å; F101-R103 PolarHBondContact O-N 3.48Å; F101-K104 PolarHBondContact O-N 3.42Å; F101-K104 VanDerWaalsContact O-N 3.16Å; F101-I105 WeakPolarHBondContact O-CB 3.44Å; F101-I105 WeakPolarHBondContact O-CD1 3.49Å; F101-I105 VanDerWaalsContact O-CG1 3.23Å; F101-I105 WeakPolarHBondContact O-CG1 3.45Å; F101-I105 PolarHBondContact O-N 3.49Å |
| 102 | K | 96.8 | Very high | 96.3 | Very high | 111 Ų | 111 | 64 Ų | 64 | 48% | 0.483 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.3 | -48.4 | 173.3 | -176.3 | 179.7 | 170.8 | 66.4 | 0 | 111.5 | K98 E99 F100 K104 I105 D106 | K98-K102 WeakPolarHBondContact O-CB 3.38Å; K98-K102 PolarHBondContact O-N 3.02Å; E99-K102 PolarHBondContact O-N 2.84Å; F100-K102 PolarHBondContact O-N 3.16Å; K102-K104 VanDerWaalsContact C-N 3.32Å; K102-K104 PolarHBondContact O-N 3.34Å; K102-I105 PolarHBondContact O-N 3.04Å; K102-D106 WeakPolarHBondContact O-CB 3.5Å; K102-D106 PolarHBondContact O-N 3.11Å |
| 103 | R | 97.1 | Very high | 96.3 | Very high | 154 Ų | 154 | 66.5 Ų | 66.5 | 58% | 0.581 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.9 | -38.9 | 176.6 | -73.6 | -178 | -64.9 | 176.1 | -3.9 | 112.6 | E99 F100 F101 F107 | E99-R103 WeakPolarHBondContact O-CG 3.46Å; E99-R103 PolarHBondContact O-N 3.36Å; F100-R103 PolarHBondContact O-N 3.46Å; F101-R103 PolarHBondContact O-N 3.48Å; R103-F107 WeakPolarHBondContact O-CB 3.35Å; R103-F107 PolarHBondContact O-N 3.4Å |
| 104 | K | 96.2 | Very high | 96.2 | Very high | 80 Ų | 80 | 70.8 Ų | 70.8 | 35% | 0.348 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 176.8 | -70 | -69.9 | -175.6 | 174.3 | 0 | 112.1 | Y41 F100 F101 K102 F107 L108 | Y41-K104 HydrophobicContact CD2-CB 3.87Å; Y41-K104 HydrophobicContact CE2-CB 3.78Å; Y41-K104 HydrophobicContact CE2-CG 4.38Å; Y41-K104 HydrophobicContact CG-CB 4.29Å; F100-K104 HydrophobicContact CD1-CG 4.48Å; F100-K104 HydrophobicContact CE1-CG 4.14Å; F100-K104 HydrophobicContact CE2-CG 4.49Å; F100-K104 HydrophobicContact CZ-CD 4.49Å; F100-K104 HydrophobicContact CZ-CG 4.17Å; F100-K104 WeakPolarHBondContact O-CG 3.29Å; F100-K104 PolarHBondContact O-N 3.39Å; F101-K104 PolarHBondContact O-N 3.42Å; F101-K104 VanDerWaalsContact O-N 3.16Å; K102-K104 VanDerWaalsContact C-N 3.32Å; K102-K104 PolarHBondContact O-N 3.34Å; K104-F107 PolarHBondContact O-N 3.3Å; K104-L108 WeakPolarHBondContact O-CG 3.4Å; K104-L108 PolarHBondContact O-N 2.92Å |
| 105 | I | 97.3 | Very high | 96.1 | Very high | 23 Ų | 23 | 72.1 Ų | 72.1 | 12% | 0.118 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60 | -51.9 | 173.5 | -67.9 | 159.7 | 0 | 0 | 0 | 109.6 | Q38 V42 K45 F101 K102 F107 L108 T109 | Q38-I105 HydrophobicContact CG-CG2 4.19Å; V42-I105 HydrophobicContact CG2-CD1 3.73Å; V42-I105 HydrophobicContact CG2-CG1 4.13Å; K45-I105 HydrophobicContact CD-CD1 4.29Å; F101-I105 WeakPolarHBondContact O-CB 3.44Å; F101-I105 WeakPolarHBondContact O-CD1 3.49Å; F101-I105 VanDerWaalsContact O-CG1 3.23Å; F101-I105 WeakPolarHBondContact O-CG1 3.45Å; F101-I105 PolarHBondContact O-N 3.49Å; K102-I105 PolarHBondContact O-N 3.04Å; I105-F107 VanDerWaalsContact C-N 3.28Å; I105-F107 PolarHBondContact O-N 3.35Å; I105-L108 PolarHBondContact O-N 3.37Å; I105-L108 VanDerWaalsContact O-N 3.13Å; I105-T109 PolarHBondContact O-N 2.87Å; I105-T109 PolarHBondContact O-OG1 3.17Å |
| 106 | D | 97.8 | Very high | 96.1 | Very high | 64 Ų | 64 | 71.2 Ų | 71.2 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.8 | -38.4 | -179.8 | -65.7 | -18.8 | 0 | 0 | 0 | 111.7 | K102 K110 | K102-D106 WeakPolarHBondContact O-CB 3.5Å; K102-D106 PolarHBondContact O-N 3.11Å; D106-K110 WeakPolarHBondContact O-CG 3.43Å; D106-K110 PolarHBondContact O-N 2.96Å |
| 107 | F | 96.9 | Very high | 96.1 | Very high | 114 Ų | 114 | 71 Ų | 71 | 50% | 0.5 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 173.7 | 176.4 | -95.1 | 0 | 0 | 0 | 111.5 | R103 K104 I105 K110 Q111 | R103-F107 WeakPolarHBondContact O-CB 3.35Å; R103-F107 PolarHBondContact O-N 3.4Å; K104-F107 PolarHBondContact O-N 3.3Å; I105-F107 VanDerWaalsContact C-N 3.28Å; I105-F107 PolarHBondContact O-N 3.35Å; F107-K110 PolarHBondContact O-N 3.06Å; F107-Q111 HydrophobicContact CD1-CG 4.27Å; F107-Q111 HydrophobicContact CE1-CG 3.88Å; F107-Q111 HydrophobicContact CZ-CG 4.01Å; F107-Q111 WeakPolarHBondContact O-CG 3.21Å; F107-Q111 PolarHBondContact O-N 3.02Å |
| 108 | L | 96.8 | Very high | 96 | Very high | 16 Ų | 16 | 72.9 Ų | 72.9 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 178.7 | -71.6 | 175.3 | 0 | 0 | 0 | 112.1 | L34 V37 Q38 Y41 K104 I105 K110 Q111 I112 | L34-L108 HydrophobicContact CD2-CD2 3.8Å; V37-L108 HydrophobicContact CB-CD1 4.11Å; V37-L108 HydrophobicContact CG1-CD1 3.83Å; Q38-L108 HydrophobicContact CB-CB 4.4Å; Q38-L108 HydrophobicContact CB-CD1 3.98Å; Y41-L108 HydrophobicContact CD2-CD1 3.68Å; Y41-L108 HydrophobicContact CE2-CD1 3.82Å; K104-L108 WeakPolarHBondContact O-CG 3.4Å; K104-L108 PolarHBondContact O-N 2.92Å; I105-L108 PolarHBondContact O-N 3.37Å; I105-L108 VanDerWaalsContact O-N 3.13Å; L108-K110 VanDerWaalsContact C-N 3.32Å; L108-K110 PolarHBondContact O-N 3.13Å; L108-Q111 PolarHBondContact O-N 3.08Å; L108-Q111 VanDerWaalsContact O-N 3.12Å; L108-I112 WeakPolarHBondContact O-CG1 3.43Å; L108-I112 PolarHBondContact O-N 3.48Å |
| 109 | T | 97 | Very high | 96 | Very high | 42 Ų | 42 | 71.8 Ų | 71.8 | 26% | 0.258 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -54.7 | -50.2 | 174.2 | -54.5 | 0 | 0 | 0 | 0 | 110.3 | Q38 I105 Q111 I112 E113 | Q38-T109 PolarHBondContact NE2-OG1 2.91Å; I105-T109 PolarHBondContact O-N 2.87Å; I105-T109 PolarHBondContact O-OG1 3.17Å; T109-Q111 VanDerWaalsContact C-N 3.3Å; T109-Q111 PolarHBondContact O-N 3.22Å; T109-I112 PolarHBondContact O-N 2.98Å; T109-I112 VanDerWaalsContact O-N 3.17Å; T109-E113 HydrophobicContact CG2-CG 4.39Å; T109-E113 WeakPolarHBondContact O-CB 3.49Å; T109-E113 WeakPolarHBondContact O-CG 3.45Å; T109-E113 PolarHBondContact O-N 2.74Å |
| 110 | K | 97.3 | Very high | 96 | Very high | 129 Ų | 129 | 72.2 Ų | 72.2 | 56% | 0.561 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.1 | -34.9 | 178.1 | -73.2 | 176.3 | -178.7 | -179.1 | 0 | 113.1 | D106 F107 L108 K114 | D106-K110 WeakPolarHBondContact O-CG 3.43Å; D106-K110 PolarHBondContact O-N 2.96Å; F107-K110 PolarHBondContact O-N 3.06Å; L108-K110 VanDerWaalsContact C-N 3.32Å; L108-K110 PolarHBondContact O-N 3.13Å; K110-K114 VanDerWaalsContact O-CG 3.28Å; K110-K114 WeakPolarHBondContact O-CG 3.39Å; K110-K114 PolarHBondContact O-N 2.95Å; K110-K114 VanDerWaalsContact O-N 3.13Å |
| 111 | Q | 95.4 | Very high | 95.9 | Very high | 58 Ų | 58 | 77.5 Ų | 77.5 | 27% | 0.271 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69 | -41.8 | 175.5 | -63.3 | -55.9 | -25 | 0 | 0 | 111.4 | L34 F107 L108 T109 K114 I115 | L34-Q111 HydrophobicContact CD1-CB 4.32Å; F107-Q111 HydrophobicContact CD1-CG 4.27Å; F107-Q111 HydrophobicContact CE1-CG 3.88Å; F107-Q111 HydrophobicContact CZ-CG 4.01Å; F107-Q111 WeakPolarHBondContact O-CG 3.21Å; F107-Q111 PolarHBondContact O-N 3.02Å; L108-Q111 PolarHBondContact O-N 3.08Å; L108-Q111 VanDerWaalsContact O-N 3.12Å; T109-Q111 VanDerWaalsContact C-N 3.3Å; T109-Q111 PolarHBondContact O-N 3.22Å; Q111-K114 PolarHBondContact O-N 3.44Å; Q111-I115 WeakPolarHBondContact O-CD1 3.47Å; Q111-I115 VanDerWaalsContact O-CG1 3.31Å; Q111-I115 WeakPolarHBondContact O-CG1 3.38Å; Q111-I115 PolarHBondContact O-N 3.43Å |
| 112 | I | 95.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 78.9 Ų | 78.9 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 175 | -67.2 | 164.6 | 0 | 0 | 0 | 110.2 | I31 L34 K35 L108 T109 K114 I115 Q116 | I31-I112 HydrophobicContact CG2-CG2 4.1Å; L34-I112 HydrophobicContact CB-CD1 3.97Å; L34-I112 HydrophobicContact CB-CG1 3.75Å; L34-I112 HydrophobicContact CD1-CG1 3.98Å; K35-I112 HydrophobicContact CG-CD1 3.84Å; L108-I112 WeakPolarHBondContact O-CG1 3.43Å; L108-I112 PolarHBondContact O-N 3.48Å; T109-I112 PolarHBondContact O-N 2.98Å; T109-I112 VanDerWaalsContact O-N 3.17Å; I112-K114 PolarHBondContact O-N 3.02Å; I112-I115 PolarHBondContact O-N 3.09Å; I112-Q116 WeakPolarHBondContact O-CB 3.41Å; I112-Q116 PolarHBondContact O-N 3.35Å |
| 113 | E | 96.2 | Very high | 95.7 | Very high | 111 Ų | 111 | 79.7 Ų | 79.7 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.7 | -31.9 | 178.2 | -74.8 | 173.3 | 173.9 | 0 | 0 | 113.1 | T109 P117 | T109-E113 HydrophobicContact CG2-CG 4.39Å; T109-E113 WeakPolarHBondContact O-CB 3.49Å; T109-E113 WeakPolarHBondContact O-CG 3.45Å; T109-E113 PolarHBondContact O-N 2.74Å; E113-P117 WeakPolarHBondContact O-CD 3.32Å |
| 114 | K | 94.6 | Very high | 95.6 | Very high | 145 Ų | 145 | 74.3 Ų | 74.3 | 63% | 0.63 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -71.3 | -32.8 | 175 | -76.3 | 173.7 | -179.1 | -175.4 | 0 | 113.1 | K110 Q111 I112 | K110-K114 VanDerWaalsContact O-CG 3.28Å; K110-K114 WeakPolarHBondContact O-CG 3.39Å; K110-K114 PolarHBondContact O-N 2.95Å; K110-K114 VanDerWaalsContact O-N 3.13Å; Q111-K114 PolarHBondContact O-N 3.44Å; I112-K114 PolarHBondContact O-N 3.02Å |
| 115 | I | 94 | Very high | 95.4 | Very high | 40 Ų | 40 | 74 Ų | 74 | 21% | 0.205 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -84.5 | -30.8 | -176.2 | -61.2 | 166.3 | 0 | 0 | 0 | 110.8 | L27 I31 L34 Q111 I112 A118 L119 | L27-I115 HydrophobicContact CB-CG2 4.31Å; L27-I115 HydrophobicContact CD2-CG2 3.87Å; I31-I115 HydrophobicContact CD1-CB 4.29Å; I31-I115 HydrophobicContact CD1-CG2 3.87Å; I31-I115 HydrophobicContact CG1-CB 4.22Å; I31-I115 HydrophobicContact CG1-CG2 3.9Å; L34-I115 HydrophobicContact CD1-CD1 3.85Å; Q111-I115 WeakPolarHBondContact O-CD1 3.47Å; Q111-I115 VanDerWaalsContact O-CG1 3.31Å; Q111-I115 WeakPolarHBondContact O-CG1 3.38Å; Q111-I115 PolarHBondContact O-N 3.43Å; I112-I115 PolarHBondContact O-N 3.09Å; I115-A118 PolarHBondContact O-N 2.84Å; I115-L119 PolarHBondContact O-N 2.96Å |
| 116 | Q | 93.7 | Very high | 95.2 | Very high | 92 Ų | 92 | 74.4 Ų | 74.4 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | -172.7 | -167.9 | 160.8 | 10 | 0 | 0 | 114.7 | I112 L119 Q120 | I112-Q116 WeakPolarHBondContact O-CB 3.41Å; I112-Q116 PolarHBondContact O-N 3.35Å; Q116-L119 PolarHBondContact O-N 3.35Å; Q116-Q120 WeakPolarHBondContact O-CG 3.42Å; Q116-Q120 PolarHBondContact O-N 3.16Å |
| 117 | P | 96.3 | Very high | 95 | Very high | 74 Ų | 74 | 75.9 Ų | 75.9 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 173.9 | -24.1 | 34.1 | 0 | 0 | 0 | 112.7 | E113 L119 Q120 E121 | E113-P117 WeakPolarHBondContact O-CD 3.32Å; P117-L119 VanDerWaalsContact C-N 3.3Å; P117-L119 PolarHBondContact O-N 3.26Å; P117-Q120 PolarHBondContact O-N 3.41Å; P117-E121 WeakPolarHBondContact O-CB 3.41Å; P117-E121 PolarHBondContact O-N 3.08Å |
| 118 | A | 93.9 | Very high | 94.8 | Very high | 39 Ų | 39 | 72.1 Ų | 72.1 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L27 I115 E121 K122 | L27-A118 HydrophobicContact CD1-CB 4.48Å; I115-A118 PolarHBondContact O-N 2.84Å; A118-E121 PolarHBondContact O-N 2.91Å; A118-K122 WeakPolarHBondContact O-CB 3.46Å; A118-K122 WeakPolarHBondContact O-CG 3.49Å; A118-K122 PolarHBondContact O-N 3.2Å |
| 119 | L | 95.3 | Very high | 94.7 | Very high | 32 Ų | 32 | 71.4 Ų | 71.4 | 17% | 0.168 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 173.8 | 175.9 | 61.6 | 0 | 0 | 0 | 111.8 | T24 L27 I31 I115 Q116 P117 K122 Y123 | T24-L119 HydrophobicContact CG2-CD1 3.7Å; L27-L119 HydrophobicContact CB-CB 4.3Å; L27-L119 HydrophobicContact CB-CD1 3.99Å; L27-L119 HydrophobicContact CD1-CB 4.32Å; I31-L119 HydrophobicContact CD1-CD2 3.82Å; I115-L119 PolarHBondContact O-N 2.96Å; Q116-L119 PolarHBondContact O-N 3.35Å; P117-L119 VanDerWaalsContact C-N 3.3Å; P117-L119 PolarHBondContact O-N 3.26Å; L119-K122 PolarHBondContact O-N 3.12Å; L119-Y123 WeakPolarHBondContact O-CB 3.28Å; L119-Y123 PolarHBondContact O-N 3.27Å |
| 120 | Q | 95.3 | Very high | 94.4 | Very high | 130 Ų | 130 | 71.3 Ų | 71.3 | 61% | 0.607 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.8 | -43 | 177.8 | -74.6 | 179.7 | -21.8 | 0 | 0 | 112.1 | Q116 P117 Y123 G124 | Q116-Q120 WeakPolarHBondContact O-CG 3.42Å; Q116-Q120 PolarHBondContact O-N 3.16Å; P117-Q120 PolarHBondContact O-N 3.41Å; Q120-Y123 PolarHBondContact O-N 3Å; Q120-G124 PolarHBondContact O-N 3.09Å |
| 121 | E | 94.9 | Very high | 94.2 | Very high | 135 Ų | 135 | 70.8 Ų | 70.8 | 63% | 0.631 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.4 | -47.9 | 176.3 | -174.6 | -174.5 | 170.5 | 0 | 0 | 111.2 | P117 A118 Y123 G124 M125 | P117-E121 WeakPolarHBondContact O-CB 3.41Å; P117-E121 PolarHBondContact O-N 3.08Å; A118-E121 PolarHBondContact O-N 2.91Å; E121-Y123 VanDerWaalsContact C-N 3.34Å; E121-Y123 PolarHBondContact O-N 2.99Å; E121-G124 PolarHBondContact O-N 3.31Å; E121-M125 WeakPolarHBondContact O-CB 3.25Å; E121-M125 PolarHBondContact O-N 3.13Å |
| 122 | K | 94.2 | Very high | 94 | Very high | 55 Ų | 55 | 69 Ų | 69 | 24% | 0.239 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 178.5 | -67.3 | -68.7 | 179.3 | 167.6 | 0 | 112.2 | L20 E23 L27 A118 L119 M125 K126 | L20-K122 HydrophobicContact CD2-CD 3.8Å; E23-K122 VanDerWaalsContact OE2-CD 3.27Å; E23-K122 WeakPolarHBondContact OE2-CD 3.35Å; E23-K122 WeakPolarHBondContact OE2-CE 3.35Å; E23-K122 IonicContact OE2-NZ 2.66Å; E23-K122 PolarHBondContact OE2-NZ 3.42Å; L27-K122 HydrophobicContact CD1-CG 4.33Å; A118-K122 WeakPolarHBondContact O-CB 3.46Å; A118-K122 WeakPolarHBondContact O-CG 3.49Å; A118-K122 PolarHBondContact O-N 3.2Å; L119-K122 PolarHBondContact O-N 3.12Å; K122-M125 HydrophobicContact CD-CE 4.36Å; K122-M125 PolarHBondContact O-N 3.48Å; K122-K126 WeakPolarHBondContact O-CB 3.39Å; K122-K126 PolarHBondContact O-N 3.39Å |
| 123 | Y | 94 | Very high | 93.8 | Very high | 129 Ų | 129 | 69.8 Ų | 69.8 | 51% | 0.506 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 174.7 | -164.2 | -88 | 0 | 0 | 0 | 111.9 | T24 L119 Q120 E121 K126 Q127 | T24-Y123 HydrophobicContact CG2-CD2 4.11Å; L119-Y123 WeakPolarHBondContact O-CB 3.28Å; L119-Y123 PolarHBondContact O-N 3.27Å; Q120-Y123 PolarHBondContact O-N 3Å; E121-Y123 VanDerWaalsContact C-N 3.34Å; E121-Y123 PolarHBondContact O-N 2.99Å; Y123-K126 PolarHBondContact O-N 2.86Å; Y123-Q127 PolarHBondContact O-N 3.05Å |
| 124 | G | 94.7 | Very high | 93.6 | Very high | 40 Ų | 40 | 69 Ų | 69 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q120 E121 K126 Q127 A128 | Q120-G124 PolarHBondContact O-N 3.09Å; E121-G124 PolarHBondContact O-N 3.31Å; G124-K126 PolarHBondContact O-N 2.86Å; G124-Q127 PolarHBondContact O-N 3.17Å; G124-A128 PolarHBondContact O-N 3.48Å |
| 125 | M | 93 | Very high | 93.4 | Very high | 73 Ų | 73 | 65.8 Ų | 65.8 | 36% | 0.36 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 177.4 | -163.8 | 158.6 | 75.4 | 0 | 0 | 111.8 | L20 E121 K122 Q127 A128 V129 | L20-M125 HydrophobicContact CD1-CB 4.3Å; L20-M125 HydrophobicContact CD1-CE 4.15Å; L20-M125 HydrophobicContact CD1-CG 4.05Å; L20-M125 HydrophobicContact CD2-CE 3.35Å; L20-M125 HydrophobicContact CG-CE 4.34Å; E121-M125 WeakPolarHBondContact O-CB 3.25Å; E121-M125 PolarHBondContact O-N 3.13Å; K122-M125 HydrophobicContact CD-CE 4.36Å; K122-M125 PolarHBondContact O-N 3.48Å; M125-Q127 VanDerWaalsContact C-N 3.32Å; M125-Q127 PolarHBondContact O-N 3.18Å; M125-A128 PolarHBondContact O-N 3.23Å; M125-V129 VanDerWaalsContact O-CG2 3.32Å; M125-V129 WeakPolarHBondContact O-CG2 3.45Å; M125-V129 PolarHBondContact O-N 2.77Å |
| 126 | K | 93 | Very high | 93.1 | Very high | 32 Ų | 32 | 65.8 Ų | 65.8 | 14% | 0.139 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 173.3 | -172.8 | -173.9 | 68.3 | 171.5 | 0 | 111.3 | L20 E21 K122 Y123 G124 V129 I130 | L20-K126 HydrophobicContact CB-CB 4.06Å; L20-K126 HydrophobicContact CB-CG 4.3Å; L20-K126 HydrophobicContact CD1-CB 4.37Å; E21-K126 HydrophobicContact CG-CD 3.62Å; K122-K126 WeakPolarHBondContact O-CB 3.39Å; K122-K126 PolarHBondContact O-N 3.39Å; Y123-K126 PolarHBondContact O-N 2.86Å; G124-K126 PolarHBondContact O-N 2.86Å; K126-V129 PolarHBondContact O-N 2.91Å; K126-I130 HydrophobicContact CG-CD1 4.1Å; K126-I130 WeakPolarHBondContact O-CG1 3.32Å; K126-I130 PolarHBondContact O-N 2.86Å |
| 127 | Q | 93.3 | Very high | 92.9 | Very high | 96 Ų | 96 | 64.3 Ų | 64.3 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 179.8 | -169 | 62.3 | 28.1 | 0 | 0 | 111.8 | Y123 G124 M125 V129 I130 E131 | Y123-Q127 PolarHBondContact O-N 3.05Å; G124-Q127 PolarHBondContact O-N 3.17Å; M125-Q127 VanDerWaalsContact C-N 3.32Å; M125-Q127 PolarHBondContact O-N 3.18Å; Q127-V129 VanDerWaalsContact C-N 3.33Å; Q127-V129 PolarHBondContact O-N 3.41Å; Q127-I130 PolarHBondContact O-N 3.02Å; Q127-E131 PolarHBondContact O-N 2.85Å |
| 128 | A | 93.3 | Very high | 92.6 | Very high | 35 Ų | 35 | 67.2 Ų | 67.2 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L5 G124 M125 E131 V132 | L5-A128 HydrophobicContact CD1-CB 3.81Å; G124-A128 PolarHBondContact O-N 3.48Å; M125-A128 PolarHBondContact O-N 3.23Å; A128-E131 PolarHBondContact O-N 3.13Å; A128-V132 WeakPolarHBondContact O-CG2 3.24Å; A128-V132 PolarHBondContact O-N 3.04Å |
| 129 | V | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62 | -45 | 175.2 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | L5 L13 L16 K17 L20 M125 K126 Q127 E131 V132 M133 | L5-V129 HydrophobicContact CD1-CG2 4.31Å; L5-V129 HydrophobicContact CD2-CG2 3.89Å; L13-V129 HydrophobicContact CB-CG1 4.36Å; L13-V129 HydrophobicContact CD2-CG1 4.16Å; L13-V129 WeakPolarHBondContact O-CG1 3.48Å; L16-V129 HydrophobicContact CD2-CG2 3.64Å; L16-V129 HydrophobicContact CG-CG2 4.05Å; K17-V129 HydrophobicContact CB-CG1 4.06Å; L20-V129 HydrophobicContact CD1-CG2 4.04Å; M125-V129 VanDerWaalsContact O-CG2 3.32Å; M125-V129 WeakPolarHBondContact O-CG2 3.45Å; M125-V129 PolarHBondContact O-N 2.77Å; K126-V129 PolarHBondContact O-N 2.91Å; Q127-V129 VanDerWaalsContact C-N 3.33Å; Q127-V129 PolarHBondContact O-N 3.41Å; V129-E131 VanDerWaalsContact C-N 3.34Å; V129-E131 PolarHBondContact O-N 3.32Å; V129-V132 PolarHBondContact O-N 3.33Å; V129-M133 WeakPolarHBondContact O-CB 3.44Å; V129-M133 PolarHBondContact O-N 3.36Å |
| 130 | I | 91.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 72.9 Ų | 72.9 | 21% | 0.205 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 178.1 | -68.7 | 167 | 0 | 0 | 0 | 111 | K17 K126 Q127 M133 N134 | K17-I130 HydrophobicContact CD-CG1 4.25Å; K17-I130 HydrophobicContact CG-CG1 4.4Å; K126-I130 HydrophobicContact CG-CD1 4.1Å; K126-I130 WeakPolarHBondContact O-CG1 3.32Å; K126-I130 PolarHBondContact O-N 2.86Å; Q127-I130 PolarHBondContact O-N 3.02Å; I130-M133 PolarHBondContact O-N 3.07Å; I130-N134 VanDerWaalsContact O-CG 3.31Å; I130-N134 PolarHBondContact O-N 2.91Å; I130-N134 PolarHBondContact O-ND2 2.77Å |
| 131 | E | 92.7 | Very high | 91.2 | Very high | 119 Ų | 119 | 72.6 Ų | 72.6 | 56% | 0.556 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62 | -48.1 | 178.1 | -174.6 | 175.2 | -175.6 | 0 | 0 | 111.9 | Q127 A128 V129 M133 N134 I135 | Q127-E131 PolarHBondContact O-N 2.85Å; A128-E131 PolarHBondContact O-N 3.13Å; V129-E131 VanDerWaalsContact C-N 3.34Å; V129-E131 PolarHBondContact O-N 3.32Å; E131-M133 VanDerWaalsContact C-N 3.3Å; E131-M133 PolarHBondContact O-N 3.22Å; E131-N134 PolarHBondContact O-N 2.74Å; E131-I135 HydrophobicContact CG-CD1 4.22Å; E131-I135 WeakPolarHBondContact O-CG1 3.42Å; E131-I135 PolarHBondContact O-N 3.34Å |
| 132 | V | 92.3 | Very high | 90.6 | Very high | 20 Ų | 20 | 69.3 Ų | 69.3 | 12% | 0.121 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 177.4 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | L5 L13 A128 V129 I135 K136 | L5-V132 HydrophobicContact CB-CG1 4.44Å; L5-V132 HydrophobicContact CB-CG2 4Å; L5-V132 WeakPolarHBondContact O-CG1 3.47Å; L13-V132 HydrophobicContact CD1-CG1 4.03Å; L13-V132 HydrophobicContact CD2-CG1 4.47Å; A128-V132 WeakPolarHBondContact O-CG2 3.24Å; A128-V132 PolarHBondContact O-N 3.04Å; V129-V132 PolarHBondContact O-N 3.33Å; V132-I135 PolarHBondContact O-N 3.46Å; V132-K136 PolarHBondContact O-N 2.95Å |
| 133 | M | 91.4 | Very high | 89.6 | Confident | 29 Ų | 29 | 72.5 Ų | 72.5 | 14% | 0.143 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 175.5 | -166.3 | 177.8 | -170 | 0 | 0 | 111.2 | L10 L13 E14 V129 I130 E131 K136 I137 | L10-M133 HydrophobicContact CD2-CG 3.76Å; L13-M133 HydrophobicContact CD1-CB 4.45Å; E14-M133 HydrophobicContact CB-CE 3.93Å; E14-M133 HydrophobicContact CG-CE 4.31Å; V129-M133 WeakPolarHBondContact O-CB 3.44Å; V129-M133 PolarHBondContact O-N 3.36Å; I130-M133 PolarHBondContact O-N 3.07Å; E131-M133 VanDerWaalsContact C-N 3.3Å; E131-M133 PolarHBondContact O-N 3.22Å; M133-K136 PolarHBondContact O-N 2.88Å; M133-I137 HydrophobicContact CG-CD1 4.16Å; M133-I137 VanDerWaalsContact O-CG1 3.3Å; M133-I137 WeakPolarHBondContact O-CG1 3.47Å; M133-I137 PolarHBondContact O-N 2.99Å |
| 134 | N | 90.5 | Very high | 88.3 | Confident | 94 Ų | 94 | 73.2 Ų | 73.2 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 177.2 | -72 | -23 | 0 | 0 | 0 | 112.4 | I130 E131 K136 I137 Q138 | I130-N134 VanDerWaalsContact O-CG 3.31Å; I130-N134 PolarHBondContact O-N 2.91Å; I130-N134 PolarHBondContact O-ND2 2.77Å; E131-N134 PolarHBondContact O-N 2.74Å; N134-K136 VanDerWaalsContact C-N 3.32Å; N134-K136 PolarHBondContact O-N 2.99Å; N134-I137 PolarHBondContact O-N 2.98Å; N134-Q138 WeakPolarHBondContact O-CB 3.1Å; N134-Q138 PolarHBondContact O-N 2.61Å |
| 135 | I | 91.3 | Very high | 86.9 | Confident | 77 Ų | 77 | 74.6 Ų | 74.6 | 40% | 0.395 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | 176.2 | -69.1 | 166.8 | 0 | 0 | 0 | 110.6 | E131 V132 Q138 Q139 | E131-I135 HydrophobicContact CG-CD1 4.22Å; E131-I135 WeakPolarHBondContact O-CG1 3.42Å; E131-I135 PolarHBondContact O-N 3.34Å; V132-I135 PolarHBondContact O-N 3.46Å; I135-Q138 PolarHBondContact O-N 2.88Å; I135-Q139 WeakPolarHBondContact O-CG 3.44Å; I135-Q139 PolarHBondContact O-N 2.91Å |
| 136 | K | 88.4 | Confident | 85.2 | Confident | 41 Ų | 41 | 75.1 Ų | 75.1 | 18% | 0.178 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 178.6 | -79.5 | -173.5 | 178.1 | -163.6 | 0 | 112.9 | T6 L8 L10 L13 V132 M133 N134 Q138 Q139 L140 | T6-K136 VanDerWaalsContact O-CE 3.23Å; T6-K136 WeakPolarHBondContact O-CE 3.37Å; T6-K136 PolarHBondContact O-NZ 3.44Å; L8-K136 PolarHBondContact O-NZ 3.42Å; L10-K136 HydrophobicContact CD2-CB 3.85Å; L10-K136 HydrophobicContact CG-CB 4.38Å; L13-K136 HydrophobicContact CD1-CD 4.02Å; V132-K136 PolarHBondContact O-N 2.95Å; M133-K136 PolarHBondContact O-N 2.88Å; N134-K136 VanDerWaalsContact C-N 3.32Å; N134-K136 PolarHBondContact O-N 2.99Å; K136-Q138 VanDerWaalsContact C-N 3.32Å; K136-Q138 PolarHBondContact O-N 3.11Å; K136-Q139 PolarHBondContact O-N 2.78Å; K136-L140 WeakPolarHBondContact O-CG 3.3Å; K136-L140 PolarHBondContact O-N 2.64Å |
| 137 | I | 89 | Confident | 83.2 | Confident | 61 Ų | 61 | 81 Ų | 81 | 31% | 0.313 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 175.8 | -69.2 | 166.4 | 0 | 0 | 0 | 110.2 | L10 M133 N134 Q139 L140 Q141 | L10-I137 HydrophobicContact CD1-CG1 4.3Å; L10-I137 HydrophobicContact CD2-CG1 4.06Å; M133-I137 HydrophobicContact CG-CD1 4.16Å; M133-I137 VanDerWaalsContact O-CG1 3.3Å; M133-I137 WeakPolarHBondContact O-CG1 3.47Å; M133-I137 PolarHBondContact O-N 2.99Å; N134-I137 PolarHBondContact O-N 2.98Å; I137-Q139 PolarHBondContact O-N 3.46Å; I137-L140 PolarHBondContact O-N 2.92Å; I137-Q141 WeakPolarHBondContact O-CG 3.34Å; I137-Q141 PolarHBondContact O-N 2.74Å |
| 138 | Q | 88.6 | Confident | 81.3 | Confident | 135 Ų | 135 | 80.8 Ų | 80.8 | 63% | 0.631 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.5 | -40.7 | 178.9 | -168.2 | 176.1 | 17.6 | 0 | 0 | 112.3 | N134 I135 K136 Q141 S142 | N134-Q138 WeakPolarHBondContact O-CB 3.1Å; N134-Q138 PolarHBondContact O-N 2.61Å; I135-Q138 PolarHBondContact O-N 2.88Å; K136-Q138 VanDerWaalsContact C-N 3.32Å; K136-Q138 PolarHBondContact O-N 3.11Å; Q138-Q141 PolarHBondContact O-N 2.98Å; Q138-S142 PolarHBondContact O-N 3.42Å; Q138-S142 PolarHBondContact O-OG 3.41Å |
| 139 | Q | 87.3 | Confident | 79.2 | Confident | 104 Ų | 104 | 81.9 Ų | 81.9 | 49% | 0.486 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 174.9 | -75.7 | 176.3 | -7.8 | 0 | 0 | 111.9 | I135 K136 I137 Q141 S142 Q143 | I135-Q139 WeakPolarHBondContact O-CG 3.44Å; I135-Q139 PolarHBondContact O-N 2.91Å; K136-Q139 PolarHBondContact O-N 2.78Å; I137-Q139 PolarHBondContact O-N 3.46Å; Q139-Q141 PolarHBondContact O-N 2.98Å; Q139-S142 PolarHBondContact O-N 3.36Å; Q139-S142 PolarHBondContact O-OG 2.82Å; Q139-Q143 WeakPolarHBondContact O-CG 3.06Å; Q139-Q143 PolarHBondContact O-N 3.13Å; Q139-Q143 VanDerWaalsContact O-N 3.07Å |
| 140 | L | 84.6 | Confident | 77.2 | Confident | 85 Ų | 85 | 87.4 Ų | 87.4 | 45% | 0.445 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.6 | -71.5 | 169.7 | 0 | 0 | 0 | 112.4 | L10 K136 I137 Q143 Q144 | L10-L140 HydrophobicContact CD1-CD1 3.52Å; K136-L140 WeakPolarHBondContact O-CG 3.3Å; K136-L140 PolarHBondContact O-N 2.64Å; I137-L140 PolarHBondContact O-N 2.92Å; L140-Q143 PolarHBondContact O-N 3.21Å; L140-Q144 PolarHBondContact O-N 2.86Å; L140-Q144 VanDerWaalsContact O-N 3.12Å |
| 141 | Q | 84.5 | Confident | 75.1 | Confident | 125 Ų | 125 | 91.4 Ų | 91.4 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 176.1 | -73.3 | 175.4 | -10.7 | 0 | 0 | 112.1 | I137 Q138 Q139 Q143 Q144 A145 | I137-Q141 WeakPolarHBondContact O-CG 3.34Å; I137-Q141 PolarHBondContact O-N 2.74Å; Q138-Q141 PolarHBondContact O-N 2.98Å; Q139-Q141 PolarHBondContact O-N 2.98Å; Q141-Q143 PolarHBondContact O-N 3.31Å; Q141-Q144 PolarHBondContact O-N 3.28Å; Q141-A145 PolarHBondContact O-N 2.78Å; Q141-A145 VanDerWaalsContact O-N 3.16Å |
| 142 | S | 82.6 | Confident | 73 | Confident | 65 Ų | 65 | 95.4 Ų | 95.4 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.6 | -33.7 | 177.4 | 69.7 | 0 | 0 | 0 | 0 | 113.3 | Q138 Q139 S146 | Q138-S142 PolarHBondContact O-N 3.42Å; Q138-S142 PolarHBondContact O-OG 3.41Å; Q139-S142 PolarHBondContact O-N 3.36Å; Q139-S142 PolarHBondContact O-OG 2.82Å; S142-S146 PolarHBondContact O-N 3.1Å; S142-S146 PolarHBondContact O-OG 2.89Å |
| 143 | Q | 72.9 | Confident | 70.6 | Confident | 123 Ų | 123 | 102.7 Ų | 102.7 | 58% | 0.575 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.8 | -36.9 | 176.1 | -73 | 178.7 | 4.4 | 0 | 0 | 112.5 | Q139 L140 Q141 S146 Q147 | Q139-Q143 WeakPolarHBondContact O-CG 3.06Å; Q139-Q143 PolarHBondContact O-N 3.13Å; Q139-Q143 VanDerWaalsContact O-N 3.07Å; L140-Q143 PolarHBondContact O-N 3.21Å; Q141-Q143 PolarHBondContact O-N 3.31Å; Q143-S146 PolarHBondContact O-N 2.84Å; Q143-Q147 PolarHBondContact O-N 3.21Å |
| 144 | Q | 67.3 | Low | 69.6 | Low | 144 Ų | 144 | 106.4 Ų | 106.4 | 67% | 0.673 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.2 | -33.8 | 175.5 | -78.1 | -178.5 | -18 | 0 | 0 | 113.2 | L140 Q141 S146 S148 | L140-Q144 PolarHBondContact O-N 2.86Å; L140-Q144 VanDerWaalsContact O-N 3.12Å; Q141-Q144 PolarHBondContact O-N 3.28Å; Q144-S146 VanDerWaalsContact C-N 3.27Å; Q144-S146 PolarHBondContact O-N 2.91Å; Q144-S148 PolarHBondContact O-OG 2.92Å; Q144-S148 VanDerWaalsContact O-OG 3.06Å |
| 145 | A | 64.4 | Low | 68.4 | Low | 69 Ų | 69 | 107 Ų | 107 | 57% | 0.57 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69 | -25.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q141 S148 | Q141-A145 PolarHBondContact O-N 2.78Å; Q141-A145 VanDerWaalsContact O-N 3.16Å; A145-S148 PolarHBondContact O-OG 2.93Å |
| 146 | S | 57.6 | Low | 67.2 | Low | 84 Ų | 84 | 108.7 Ų | 108.7 | 59% | 0.587 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -80.9 | -31 | -178.9 | -53.2 | 0 | 0 | 0 | 0 | 113.2 | S142 Q143 Q144 | S142-S146 PolarHBondContact O-N 3.1Å; S142-S146 PolarHBondContact O-OG 2.89Å; Q143-S146 PolarHBondContact O-N 2.84Å; Q144-S146 VanDerWaalsContact C-N 3.27Å; Q144-S146 PolarHBondContact O-N 2.91Å |
| 147 | Q | 51.5 | Low | 65.9 | Low | 154 Ų | 154 | 112.6 Ų | 112.6 | 72% | 0.72 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -80.4 | -19.3 | 179.1 | -81.2 | -174.8 | -11.2 | 0 | 0 | 114.3 | Q143 | Q143-Q147 PolarHBondContact O-N 3.21Å |
| 148 | S | 52.5 | Low | 64.5 | Low | 92 Ų | 92 | 115.9 Ų | 115.9 | 64% | 0.643 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -9 | 178.6 | 36.2 | 0 | 0 | 0 | 0 | 113.6 | Q144 A145 | Q144-S148 PolarHBondContact O-OG 2.92Å; Q144-S148 VanDerWaalsContact O-OG 3.06Å; A145-S148 PolarHBondContact O-OG 2.93Å |
| 149 | G | 49.9 | Very low | 62.9 | Low | 58 Ų | 58 | 114.6 Ų | 114.6 | 60% | 0.598 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -89.2 | -18.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 150 | T | 50 | Low | 61.1 | Low | 116 Ų | 116 | 115.4 Ų | 115.4 | 71% | 0.712 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -2.7 | -173.4 | 28.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 151 | T | 48.6 | Very low | 59.3 | Low | 125 Ų | 125 | 117.7 Ų | 117.7 | 77% | 0.767 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 9.3 | -179.3 | -32.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 152 | K | 48.6 | Very low | 57.2 | Low | 203 Ų | 203 | 117.1 Ų | 117.1 | 88% | 0.883 | 72% | 0.717 | S | S | * | * | trans | -127.1 | 75.6 | 171.4 | -74.1 | -171.6 | 178.2 | -178.9 | 0 | 110.2 | ||||
| 153 | A | 40.8 | Very low | 54.9 | Low | 172 Ų | 172 | 121.8 Ų | 121.8 | 100% | 1.421 | 74% | 0.741 | S | S | * | * | trans | -144.6 | 0 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 153 of 153 residues in 68.6 ms
(Link to these results)