| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.1 | Low | 85.3 | Confident | 226 Ų | 226 | 120 Ų | 120 | 100% | 1.113 | 62% | 0.621 | S | S | * | * | 0 | -30.4 | 0 | -72.2 | 169.6 | 176.6 | 0 | 0 | 113.8 | N3 F4 | M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 2.98Å; M1-F4 PolarHBondContact O-N 3.25Å | |||
| 2 | A | 74.3 | Confident | 86 | Confident | 60 Ų | 60 | 120.2 Ų | 120.2 | 50% | 0.496 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -52.5 | -29.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | F4 S5 R6 | A2-F4 PolarHBondContact O-N 2.96Å; A2-S5 PolarHBondContact O-N 2.86Å; A2-R6 PolarHBondContact O-N 3.48Å |
| 3 | N | 85.2 | Confident | 86.6 | Confident | 118 Ų | 118 | 120.5 Ų | 120.5 | 63% | 0.631 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.1 | -35.3 | -175.2 | -64.2 | -13.3 | 0 | 0 | 0 | 113.3 | M1 S5 R6 V7 | M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 2.98Å; N3-S5 VanDerWaalsContact C-N 3.35Å; N3-R6 PolarHBondContact O-N 3.22Å; N3-V7 WeakPolarHBondContact O-CG2 3.45Å; N3-V7 PolarHBondContact O-N 3.28Å |
| 4 | F | 84.7 | Confident | 87 | Confident | 181 Ų | 181 | 113.7 Ų | 113.7 | 79% | 0.794 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.1 | -40.9 | 176.5 | -99.6 | -86.6 | 0 | 0 | 0 | 111.7 | M1 A2 V7 A8 | M1-F4 PolarHBondContact O-N 3.25Å; A2-F4 PolarHBondContact O-N 2.96Å; F4-V7 PolarHBondContact O-N 3.06Å; F4-A8 WeakPolarHBondContact O-CB 3.12Å; F4-A8 PolarHBondContact O-N 2.83Å |
| 5 | S | 88.6 | Confident | 87.4 | Confident | 81 Ų | 81 | 109.9 Ų | 109.9 | 57% | 0.566 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.7 | -42.2 | 176.5 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | A2 N3 A8 E9 | A2-S5 PolarHBondContact O-N 2.86Å; N3-S5 VanDerWaalsContact C-N 3.35Å; S5-A8 PolarHBondContact O-N 3.04Å; S5-E9 WeakPolarHBondContact O-CB 3.33Å; S5-E9 PolarHBondContact O-N 2.92Å |
| 6 | R | 90.4 | Very high | 88 | Confident | 163 Ų | 163 | 107.4 Ų | 107.4 | 62% | 0.615 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.3 | -40.4 | 175.6 | -68.8 | -179.7 | 179.3 | 177.1 | -2.1 | 112.6 | A2 N3 E9 I10 | A2-R6 PolarHBondContact O-N 3.48Å; N3-R6 PolarHBondContact O-N 3.22Å; R6-E9 PolarHBondContact O-N 3.21Å; R6-I10 VanDerWaalsContact O-CG1 3.31Å; R6-I10 WeakPolarHBondContact O-CG1 3.45Å; R6-I10 PolarHBondContact O-N 3.39Å; R6-I10 VanDerWaalsContact O-N 3.08Å |
| 7 | V | 89.4 | Confident | 88.2 | Confident | 73 Ų | 73 | 104.1 Ų | 104.1 | 44% | 0.442 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.5 | -43.2 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | N3 F4 E9 I10 F11 | N3-V7 WeakPolarHBondContact O-CG2 3.45Å; N3-V7 PolarHBondContact O-N 3.28Å; F4-V7 PolarHBondContact O-N 3.06Å; V7-E9 VanDerWaalsContact C-N 3.34Å; V7-E9 PolarHBondContact O-N 2.9Å; V7-I10 PolarHBondContact O-N 3.24Å; V7-F11 HydrophobicContact CG1-CD2 3.82Å; V7-F11 HydrophobicContact CG1-CE2 3.58Å; V7-F11 WeakPolarHBondContact O-CD2 3.03Å; V7-F11 PolarHBondContact O-N 3.5Å; V7-F11 VanDerWaalsContact O-N 3.12Å |
| 8 | A | 91.7 | Very high | 88.5 | Confident | 59 Ų | 59 | 103.9 Ų | 103.9 | 49% | 0.488 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | F4 S5 I10 F11 E12 | F4-A8 WeakPolarHBondContact O-CB 3.12Å; F4-A8 PolarHBondContact O-N 2.83Å; S5-A8 PolarHBondContact O-N 3.04Å; A8-I10 PolarHBondContact O-N 2.98Å; A8-F11 PolarHBondContact O-N 2.78Å; A8-E12 WeakPolarHBondContact O-CB 3.47Å; A8-E12 PolarHBondContact O-N 2.93Å |
| 9 | E | 94.3 | Very high | 88.8 | Confident | 115 Ų | 115 | 100.6 Ų | 100.6 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 175.7 | -176.1 | 176.3 | -169.4 | 0 | 0 | 112.6 | S5 R6 V7 E12 Q13 | S5-E9 WeakPolarHBondContact O-CB 3.33Å; S5-E9 PolarHBondContact O-N 2.92Å; R6-E9 PolarHBondContact O-N 3.21Å; V7-E9 VanDerWaalsContact C-N 3.34Å; V7-E9 PolarHBondContact O-N 2.9Å; E9-E12 PolarHBondContact O-N 3.11Å; E9-Q13 WeakPolarHBondContact O-CG 3.16Å; E9-Q13 PolarHBondContact O-N 3.35Å |
| 10 | I | 92.1 | Very high | 89 | Confident | 109 Ų | 109 | 104.6 Ų | 104.6 | 56% | 0.559 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.9 | -45.1 | 174 | -67.1 | 161.3 | 0 | 0 | 0 | 110.9 | R6 V7 A8 E12 Q13 A14 | R6-I10 VanDerWaalsContact O-CG1 3.31Å; R6-I10 WeakPolarHBondContact O-CG1 3.45Å; R6-I10 PolarHBondContact O-N 3.39Å; R6-I10 VanDerWaalsContact O-N 3.08Å; V7-I10 PolarHBondContact O-N 3.24Å; A8-I10 PolarHBondContact O-N 2.98Å; I10-E12 VanDerWaalsContact C-N 3.31Å; I10-E12 PolarHBondContact O-N 3.22Å; I10-Q13 PolarHBondContact O-N 2.91Å; I10-A14 WeakPolarHBondContact O-CB 3.32Å; I10-A14 PolarHBondContact O-N 3.36Å |
| 11 | F | 92.1 | Very high | 89.1 | Confident | 135 Ų | 135 | 102.5 Ų | 102.5 | 59% | 0.592 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65 | -34 | 176.8 | -78.1 | -64.3 | 0 | 0 | 0 | 112.7 | V7 A8 A14 S15 | V7-F11 HydrophobicContact CG1-CD2 3.82Å; V7-F11 HydrophobicContact CG1-CE2 3.58Å; V7-F11 WeakPolarHBondContact O-CD2 3.03Å; V7-F11 PolarHBondContact O-N 3.5Å; V7-F11 VanDerWaalsContact O-N 3.12Å; A8-F11 PolarHBondContact O-N 2.78Å; F11-A14 PolarHBondContact O-N 2.88Å; F11-S15 WeakPolarHBondContact O-CB 3.36Å; F11-S15 PolarHBondContact O-N 2.85Å |
| 12 | E | 94.5 | Very high | 90.8 | Very high | 122 Ų | 122 | 94.2 Ų | 94.2 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.4 | -41 | 174.5 | -173.4 | 65.5 | -177.4 | 0 | 0 | 112 | A8 E9 I10 A14 S15 V16 | A8-E12 WeakPolarHBondContact O-CB 3.47Å; A8-E12 PolarHBondContact O-N 2.93Å; E9-E12 PolarHBondContact O-N 3.11Å; I10-E12 VanDerWaalsContact C-N 3.31Å; I10-E12 PolarHBondContact O-N 3.22Å; E12-A14 VanDerWaalsContact C-N 3.32Å; E12-A14 PolarHBondContact O-N 3.21Å; E12-S15 PolarHBondContact O-N 2.83Å; E12-S15 PolarHBondContact O-OG 3.42Å; E12-S15 PolarHBondContact OE2-OG 3.45Å; E12-V16 WeakPolarHBondContact O-CG2 3.39Å; E12-V16 PolarHBondContact O-N 2.93Å |
| 13 | Q | 93.6 | Very high | 91.7 | Very high | 125 Ų | 125 | 96.1 Ų | 96.1 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -40.5 | 173.6 | -71 | 175.1 | 17.3 | 0 | 0 | 111.6 | E9 I10 A17 | E9-Q13 WeakPolarHBondContact O-CG 3.16Å; E9-Q13 PolarHBondContact O-N 3.35Å; I10-Q13 PolarHBondContact O-N 2.91Å; Q13-A17 PolarHBondContact O-N 3.24Å; Q13-A17 VanDerWaalsContact O-N 3.11Å |
| 14 | A | 92.5 | Very high | 91.9 | Very high | 25 Ų | 25 | 94.8 Ų | 94.8 | 21% | 0.207 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I10 F11 E12 V16 A17 F18 | I10-A14 WeakPolarHBondContact O-CB 3.32Å; I10-A14 PolarHBondContact O-N 3.36Å; F11-A14 PolarHBondContact O-N 2.88Å; E12-A14 VanDerWaalsContact C-N 3.32Å; E12-A14 PolarHBondContact O-N 3.21Å; A14-V16 VanDerWaalsContact C-N 3.34Å; A14-V16 PolarHBondContact O-N 2.83Å; A14-A17 PolarHBondContact O-N 3.28Å; A14-F18 HydrophobicContact CB-CD2 4.44Å; A14-F18 HydrophobicContact CB-CE2 4.18Å; A14-F18 WeakPolarHBondContact O-CD2 3.4Å; A14-F18 PolarHBondContact O-N 3.37Å |
| 15 | S | 93 | Very high | 92.1 | Very high | 56 Ų | 56 | 88.8 Ų | 88.8 | 39% | 0.392 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 178.8 | 75.7 | 0 | 0 | 0 | 0 | 111.6 | F11 E12 F18 G19 | F11-S15 WeakPolarHBondContact O-CB 3.36Å; F11-S15 PolarHBondContact O-N 2.85Å; E12-S15 PolarHBondContact O-N 2.83Å; E12-S15 PolarHBondContact O-OG 3.42Å; E12-S15 PolarHBondContact OE2-OG 3.45Å; S15-F18 PolarHBondContact O-N 3.43Å; S15-G19 PolarHBondContact O-N 3.48Å |
| 16 | V | 96.1 | Very high | 92.1 | Very high | 71 Ų | 71 | 89.2 Ų | 89.2 | 43% | 0.43 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 173.7 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | E12 A14 G19 R20 | E12-V16 WeakPolarHBondContact O-CG2 3.39Å; E12-V16 PolarHBondContact O-N 2.93Å; A14-V16 VanDerWaalsContact C-N 3.34Å; A14-V16 PolarHBondContact O-N 2.83Å; V16-G19 PolarHBondContact O-N 3.42Å; V16-R20 WeakPolarHBondContact O-CG 3.28Å; V16-R20 PolarHBondContact O-N 2.81Å; V16-R20 VanDerWaalsContact O-N 3.11Å |
| 17 | A | 92.7 | Very high | 92 | Very high | 50 Ų | 50 | 83.7 Ų | 83.7 | 41% | 0.413 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.3 | -47.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q13 A14 G19 R20 L21 | Q13-A17 PolarHBondContact O-N 3.24Å; Q13-A17 VanDerWaalsContact O-N 3.11Å; A14-A17 PolarHBondContact O-N 3.28Å; A17-G19 VanDerWaalsContact C-N 3.31Å; A17-G19 PolarHBondContact O-N 2.96Å; A17-R20 PolarHBondContact O-N 3.1Å; A17-L21 PolarHBondContact O-N 3.44Å; A17-L21 VanDerWaalsContact O-N 3.16Å |
| 18 | F | 93.3 | Very high | 91.8 | Very high | 102 Ų | 102 | 82.1 Ų | 82.1 | 45% | 0.447 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | 174.8 | -68.6 | -55.2 | 0 | 0 | 0 | 112.3 | A14 S15 R20 L21 A22 F61 | A14-F18 HydrophobicContact CB-CD2 4.44Å; A14-F18 HydrophobicContact CB-CE2 4.18Å; A14-F18 WeakPolarHBondContact O-CD2 3.4Å; A14-F18 PolarHBondContact O-N 3.37Å; S15-F18 PolarHBondContact O-N 3.43Å; F18-R20 VanDerWaalsContact C-N 3.34Å; F18-R20 PolarHBondContact O-N 3.17Å; F18-L21 HydrophobicContact CD1-CD1 4.36Å; F18-L21 PolarHBondContact O-N 3.05Å; F18-A22 WeakPolarHBondContact O-CB 3.34Å; F18-A22 PolarHBondContact O-N 2.87Å; F18-F61 HydrophobicContact CZ-CE1 4.11Å |
| 19 | G | 94.3 | Very high | 91.5 | Very high | 41 Ų | 41 | 85.5 Ų | 85.5 | 42% | 0.423 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | S15 V16 A17 A22 Q23 | S15-G19 PolarHBondContact O-N 3.48Å; V16-G19 PolarHBondContact O-N 3.42Å; A17-G19 VanDerWaalsContact C-N 3.31Å; A17-G19 PolarHBondContact O-N 2.96Å; G19-A22 PolarHBondContact O-N 3.01Å; G19-Q23 PolarHBondContact O-N 2.86Å |
| 20 | R | 93 | Very high | 91 | Very high | 179 Ų | 179 | 85.2 Ų | 85.2 | 68% | 0.675 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.8 | -45 | 173.8 | -70.3 | 176.1 | -177.8 | -167.9 | 0.5 | 112.2 | V16 A17 F18 A22 Q23 L24 | V16-R20 WeakPolarHBondContact O-CG 3.28Å; V16-R20 PolarHBondContact O-N 2.81Å; V16-R20 VanDerWaalsContact O-N 3.11Å; A17-R20 PolarHBondContact O-N 3.1Å; F18-R20 VanDerWaalsContact C-N 3.34Å; F18-R20 PolarHBondContact O-N 3.17Å; R20-A22 VanDerWaalsContact C-N 3.32Å; R20-A22 PolarHBondContact O-N 3.44Å; R20-Q23 PolarHBondContact O-N 3.01Å; R20-L24 WeakPolarHBondContact O-CG 3.35Å; R20-L24 PolarHBondContact O-N 3.33Å |
| 21 | L | 90.1 | Very high | 90.6 | Very high | 61 Ų | 61 | 85.3 Ų | 85.3 | 32% | 0.319 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 176.5 | -68.3 | 169.4 | 0 | 0 | 0 | 111.7 | A17 F18 T25 W46 L54 | A17-L21 PolarHBondContact O-N 3.44Å; A17-L21 VanDerWaalsContact O-N 3.16Å; F18-L21 HydrophobicContact CD1-CD1 4.36Å; F18-L21 PolarHBondContact O-N 3.05Å; L21-T25 WeakPolarHBondContact O-CB 3.41Å; L21-T25 PolarHBondContact O-N 3.46Å; L21-T25 PolarHBondContact O-OG1 3.3Å; L21-W46 HydrophobicContact CD2-CH2 4.07Å; L21-L54 HydrophobicContact CD1-CD1 4.19Å |
| 22 | A | 91.8 | Very high | 90 | Very high | 53 Ų | 53 | 83.9 Ų | 83.9 | 44% | 0.438 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | F18 G19 R20 T25 L26 | F18-A22 WeakPolarHBondContact O-CB 3.34Å; F18-A22 PolarHBondContact O-N 2.87Å; G19-A22 PolarHBondContact O-N 3.01Å; R20-A22 VanDerWaalsContact C-N 3.32Å; R20-A22 PolarHBondContact O-N 3.44Å; A22-T25 WeakPolarHBondContact O-CB 3.29Å; A22-T25 PolarHBondContact O-N 2.79Å; A22-L26 WeakPolarHBondContact O-CG 3.25Å; A22-L26 PolarHBondContact O-N 3.31Å |
| 23 | Q | 92.6 | Very high | 89.2 | Confident | 99 Ų | 99 | 81.4 Ų | 81.4 | 46% | 0.463 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63 | -50.1 | 175.7 | -173.8 | 61 | 50.7 | 0 | 0 | 111.7 | G19 R20 T25 L26 D27 | G19-Q23 PolarHBondContact O-N 2.86Å; R20-Q23 PolarHBondContact O-N 3.01Å; Q23-T25 PolarHBondContact O-N 2.68Å; Q23-L26 CarbonylContact O-C 3.59Å; Q23-L26 WeakPolarHBondContact O-CA 3.31Å; Q23-L26 WeakPolarHBondContact O-CB 3.38Å; Q23-L26 PolarHBondContact O-N 3.41Å; Q23-D27 PolarHBondContact NE2-OD1 2.83Å; Q23-D27 VanDerWaalsContact O-CG 3.22Å; Q23-D27 PolarHBondContact O-N 3.1Å |
| 24 | L | 90.2 | Very high | 88.3 | Confident | 91 Ų | 91 | 82 Ų | 82 | 48% | 0.476 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.4 | -36.4 | 177.4 | -68.9 | 170.1 | 0 | 0 | 0 | 112.1 | R20 D27 L28 | R20-L24 WeakPolarHBondContact O-CG 3.35Å; R20-L24 PolarHBondContact O-N 3.33Å; L24-D27 PolarHBondContact O-N 2.84Å; L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 2.87Å |
| 25 | T | 87.2 | Confident | 87.2 | Confident | 55 Ų | 55 | 83.9 Ų | 83.9 | 34% | 0.337 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 173.7 | -55 | 0 | 0 | 0 | 0 | 112.3 | L21 A22 Q23 K29 W46 | L21-T25 WeakPolarHBondContact O-CB 3.41Å; L21-T25 PolarHBondContact O-N 3.46Å; L21-T25 PolarHBondContact O-OG1 3.3Å; A22-T25 WeakPolarHBondContact O-CB 3.29Å; A22-T25 PolarHBondContact O-N 2.79Å; Q23-T25 PolarHBondContact O-N 2.68Å; T25-K29 VanDerWaalsContact O-CG 3.31Å; T25-K29 WeakPolarHBondContact O-CG 3.46Å; T25-K29 PolarHBondContact O-N 3.05Å; T25-W46 WeakPolarHBondContact OG1-CZ2 3.26Å |
| 26 | L | 90.2 | Very high | 85.7 | Confident | 89 Ų | 89 | 87.9 Ų | 87.9 | 47% | 0.466 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.3 | -42.7 | 175.3 | -71.2 | 170.3 | 0 | 0 | 0 | 111.5 | A22 Q23 K29 Q30 | A22-L26 WeakPolarHBondContact O-CG 3.25Å; A22-L26 PolarHBondContact O-N 3.31Å; Q23-L26 CarbonylContact O-C 3.59Å; Q23-L26 WeakPolarHBondContact O-CA 3.31Å; Q23-L26 WeakPolarHBondContact O-CB 3.38Å; Q23-L26 PolarHBondContact O-N 3.41Å; L26-K29 PolarHBondContact O-N 3.39Å; L26-Q30 WeakPolarHBondContact O-CG 3.22Å; L26-Q30 PolarHBondContact O-N 2.9Å |
| 27 | D | 88.4 | Confident | 84 | Confident | 47 Ų | 47 | 92 Ų | 92 | 25% | 0.251 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.8 | -49.8 | 177.9 | -61.2 | -21.1 | 0 | 0 | 0 | 110.1 | Q23 L24 K29 Q30 F31 | Q23-D27 PolarHBondContact NE2-OD1 2.83Å; Q23-D27 VanDerWaalsContact O-CG 3.22Å; Q23-D27 PolarHBondContact O-N 3.1Å; L24-D27 PolarHBondContact O-N 2.84Å; D27-K29 VanDerWaalsContact C-N 3.29Å; D27-K29 PolarHBondContact O-N 3.01Å; D27-Q30 WeakPolarHBondContact O-CB 3.3Å; D27-Q30 PolarHBondContact O-N 3.28Å; D27-F31 HydrophobicContact CB-CD2 4.45Å; D27-F31 HydrophobicContact CB-CE2 4.35Å; D27-F31 WeakPolarHBondContact O-CD2 3.29Å; D27-F31 PolarHBondContact O-N 3.34Å |
| 28 | L | 85.1 | Confident | 82 | Confident | 40 Ų | 40 | 92 Ų | 92 | 21% | 0.209 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -57.1 | -39.6 | 175.7 | -74.3 | 166.3 | 0 | 0 | 0 | 112.4 | L24 F31 Q32 W46 | L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 2.87Å; L28-F31 PolarHBondContact O-N 3.1Å; L28-Q32 WeakPolarHBondContact O-CB 3.47Å; L28-Q32 PolarHBondContact O-N 3.05Å; L28-W46 HydrophobicContact CD1-CD2 4.21Å; L28-W46 HydrophobicContact CD1-CG 4.05Å; L28-W46 HydrophobicContact CD1-CZ2 4.41Å |
| 29 | K | 83.9 | Confident | 80.1 | Confident | 131 Ų | 131 | 95.1 Ų | 95.1 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.9 | -34.6 | 174.6 | -72.8 | 176 | 67.1 | 174.4 | 0 | 113 | T25 L26 D27 A33 | T25-K29 VanDerWaalsContact O-CG 3.31Å; T25-K29 WeakPolarHBondContact O-CG 3.46Å; T25-K29 PolarHBondContact O-N 3.05Å; L26-K29 PolarHBondContact O-N 3.39Å; D27-K29 VanDerWaalsContact C-N 3.29Å; D27-K29 PolarHBondContact O-N 3.01Å; K29-A33 WeakPolarHBondContact O-CB 3.31Å; K29-A33 PolarHBondContact O-N 3.27Å |
| 30 | Q | 85.2 | Confident | 78 | Confident | 108 Ų | 108 | 95.3 Ų | 95.3 | 51% | 0.505 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.5 | -44.3 | 174.9 | -70 | 176.5 | 24.4 | 0 | 0 | 111.2 | L26 D27 Q32 A33 Q34 | L26-Q30 WeakPolarHBondContact O-CG 3.22Å; L26-Q30 PolarHBondContact O-N 2.9Å; D27-Q30 WeakPolarHBondContact O-CB 3.3Å; D27-Q30 PolarHBondContact O-N 3.28Å; Q30-Q32 VanDerWaalsContact C-N 3.35Å; Q30-Q32 PolarHBondContact O-N 3.19Å; Q30-A33 PolarHBondContact O-N 3.39Å; Q30-Q34 WeakPolarHBondContact O-CG 3.32Å; Q30-Q34 PolarHBondContact O-N 2.71Å |
| 31 | F | 82.1 | Confident | 76.2 | Confident | 112 Ų | 112 | 95.8 Ų | 95.8 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 171.9 | -77 | -64.9 | 0 | 0 | 0 | 111.4 | D27 L28 A33 Q34 Q35 | D27-F31 HydrophobicContact CB-CD2 4.45Å; D27-F31 HydrophobicContact CB-CE2 4.35Å; D27-F31 WeakPolarHBondContact O-CD2 3.29Å; D27-F31 PolarHBondContact O-N 3.34Å; L28-F31 PolarHBondContact O-N 3.1Å; F31-A33 VanDerWaalsContact C-N 3.34Å; F31-A33 PolarHBondContact O-N 3.04Å; F31-Q34 PolarHBondContact O-N 2.91Å; F31-Q35 WeakPolarHBondContact O-CB 3.31Å; F31-Q35 VanDerWaalsContact O-CG 3.28Å; F31-Q35 WeakPolarHBondContact O-CG 3.35Å; F31-Q35 PolarHBondContact O-N 2.84Å |
| 32 | Q | 80.2 | Confident | 74.7 | Confident | 105 Ų | 105 | 99.3 Ų | 99.3 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.3 | -40 | 175.7 | -172.7 | -176.9 | 4.5 | 0 | 0 | 112.5 | L28 Q30 Q34 Q35 | L28-Q32 WeakPolarHBondContact O-CB 3.47Å; L28-Q32 PolarHBondContact O-N 3.05Å; Q30-Q32 VanDerWaalsContact C-N 3.35Å; Q30-Q32 PolarHBondContact O-N 3.19Å; Q32-Q34 VanDerWaalsContact C-N 3.33Å; Q32-Q35 PolarHBondContact O-N 3.36Å |
| 33 | A | 77.4 | Confident | 73 | Confident | 69 Ų | 69 | 101.4 Ų | 101.4 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.3 | -35.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K29 Q30 F31 | K29-A33 WeakPolarHBondContact O-CB 3.31Å; K29-A33 PolarHBondContact O-N 3.27Å; Q30-A33 PolarHBondContact O-N 3.39Å; F31-A33 VanDerWaalsContact C-N 3.34Å; F31-A33 PolarHBondContact O-N 3.04Å |
| 34 | Q | 76.3 | Confident | 71.6 | Confident | 137 Ų | 137 | 97 Ų | 97 | 64% | 0.64 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -76.8 | -28.8 | 176.6 | -69.1 | 171 | 5.7 | 0 | 0 | 113 | Q30 F31 Q32 N36 | Q30-Q34 WeakPolarHBondContact O-CG 3.32Å; Q30-Q34 PolarHBondContact O-N 2.71Å; F31-Q34 PolarHBondContact O-N 2.91Å; Q32-Q34 VanDerWaalsContact C-N 3.33Å; Q34-N36 VanDerWaalsContact C-N 3.27Å; Q34-N36 PolarHBondContact O-N 3.03Å |
| 35 | Q | 69 | Low | 70.7 | Confident | 65 Ų | 65 | 99.6 Ų | 99.6 | 30% | 0.304 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 19.2 | -178.3 | -72.5 | -177.1 | -5.4 | 0 | 0 | 114.7 | F31 Q32 D37 S40 | F31-Q35 WeakPolarHBondContact O-CB 3.31Å; F31-Q35 VanDerWaalsContact O-CG 3.28Å; F31-Q35 WeakPolarHBondContact O-CG 3.35Å; F31-Q35 PolarHBondContact O-N 2.84Å; Q32-Q35 PolarHBondContact O-N 3.36Å; Q35-D37 PolarHBondContact O-N 3.33Å; Q35-S40 PolarHBondContact NE2-OG 3.38Å; Q35-S40 VanDerWaalsContact NE2-OG 3.1Å; Q35-S40 VanDerWaalsContact OE1-CB 3.29Å; Q35-S40 PolarHBondContact OE1-OG 2.91Å |
| 36 | N | 60.7 | Low | 70.5 | Confident | 140 Ų | 140 | 100.4 Ų | 100.4 | 75% | 0.749 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19.3 | 170.4 | -96 | -58.4 | 0 | 0 | 0 | 113.1 | Q34 G38 | Q34-N36 VanDerWaalsContact C-N 3.27Å; Q34-N36 PolarHBondContact O-N 3.03Å; N36-G38 PolarHBondContact O-N 3.41Å |
| 37 | D | 59.8 | Low | 70.2 | Confident | 157 Ų | 157 | 98.6 Ų | 98.6 | 84% | 0.84 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -92.8 | 76.3 | 174.9 | -74.3 | -56.3 | 0 | 0 | 0 | 112 | Q35 | Q35-D37 PolarHBondContact O-N 3.33Š|
| 38 | G | 51.1 | Low | 70 | Confident | 51 Ų | 51 | 102.1 Ų | 102.1 | 53% | 0.526 | 54% | 0.539 | S | S | . | . | S | Bend | trans | 80.1 | 134.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | N36 S40 | N36-G38 PolarHBondContact O-N 3.41Å; G38-S40 PolarHBondContact O-N 3.18Å |
| 39 | D | 54.3 | Low | 70.3 | Confident | 167 Ų | 167 | 107.1 Ų | 107.1 | 89% | 0.893 | 56% | 0.558 | S | S | * | * | trans | 63.9 | -2.7 | 152 | -59.2 | -25.6 | 0 | 0 | 0 | 122.2 | K41 | D39-K41 PolarHBondContact O-N 2.96Š| ||
| 40 | S | 48.9 | Very low | 70.5 | Confident | 46 Ų | 46 | 105.4 Ų | 105.4 | 32% | 0.322 | 55% | 0.552 | S | S | . | * | trans | -91.5 | 81.3 | 170.7 | -178.9 | 0 | 0 | 0 | 0 | 113.4 | Q35 G38 | Q35-S40 PolarHBondContact NE2-OG 3.38Å; Q35-S40 VanDerWaalsContact NE2-OG 3.1Å; Q35-S40 VanDerWaalsContact OE1-CB 3.29Å; Q35-S40 PolarHBondContact OE1-OG 2.91Å; G38-S40 PolarHBondContact O-N 3.18Å | ||
| 41 | K | 56.1 | Low | 70.7 | Confident | 189 Ų | 189 | 102.3 Ų | 102.3 | 82% | 0.822 | 54% | 0.541 | S | S | * | . | trans | -78.3 | -12.5 | -179.4 | -76 | -175.4 | 178.3 | 176.9 | 0 | 115.8 | D39 | D39-K41 PolarHBondContact O-N 2.96Š| ||
| 42 | T | 58.4 | Low | 71.1 | Confident | 135 Ų | 135 | 101.3 Ų | 101.3 | 83% | 0.828 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -129.8 | -14.9 | -160.7 | 52.1 | 0 | 0 | 0 | 0 | 116.9 | ||
| 43 | C | 55.3 | Low | 71.7 | Confident | 96 Ų | 96 | 100.7 Ų | 100.7 | 65% | 0.649 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -100.2 | -13.2 | -167.4 | -163.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 44 | G | 63.8 | Low | 72.3 | Confident | 7 Ų | 7 | 100.1 Ų | 100.1 | 7% | 0.072 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -111.5 | 10.3 | -166 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 45 | K | 71.9 | Confident | 73 | Confident | 145 Ų | 145 | 99.3 Ų | 99.3 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -127.3 | 140.7 | -177 | -63.3 | 176.2 | -175.7 | 172.8 | 0 | 109.4 | S47 | K45-S47 PolarHBondContact O-N 3.39Å; K45-S47 VanDerWaalsContact O-N 3.16Å |
| 46 | W | 82.4 | Confident | 74.3 | Confident | 72 Ų | 72 | 101.5 Ų | 101.5 | 27% | 0.273 | 53% | 0.533 | S | S | . | . | trans | -49.8 | 121.7 | 162.4 | -70.6 | 82.7 | 0 | 0 | 0 | 108.2 | L21 T25 L28 E50 V51 L54 | L21-W46 HydrophobicContact CD2-CH2 4.07Å; T25-W46 WeakPolarHBondContact OG1-CZ2 3.26Å; L28-W46 HydrophobicContact CD1-CD2 4.21Å; L28-W46 HydrophobicContact CD1-CG 4.05Å; L28-W46 HydrophobicContact CD1-CZ2 4.41Å; W46-E50 HydrophobicContact CE3-CB 3.85Å; W46-E50 HydrophobicContact CZ3-CB 4.37Å; W46-V51 HydrophobicContact CB-CG2 3.68Å; W46-V51 HydrophobicContact CG-CG2 4.48Å; W46-L54 HydrophobicContact CH2-CD2 4.45Å; W46-L54 HydrophobicContact CZ3-CD2 4.26Å | ||
| 47 | S | 84.2 | Confident | 75.8 | Confident | 51 Ų | 51 | 97.7 Ų | 97.7 | 36% | 0.357 | 52% | 0.521 | S | S | . | . | trans | -64.6 | 153.6 | 173.6 | 65.4 | 0 | 0 | 0 | 0 | 109.7 | K45 K49 E50 V51 | K45-S47 PolarHBondContact O-N 3.39Å; K45-S47 VanDerWaalsContact O-N 3.16Å; S47-K49 PolarHBondContact O-N 3.37Å; S47-E50 VanDerWaalsContact CB-OE2 3.26Å; S47-E50 WeakPolarHBondContact CB-OE2 3.31Å; S47-E50 PolarHBondContact N-OE2 3.39Å; S47-E50 PolarHBondContact O-N 3.31Å; S47-E50 VanDerWaalsContact OG-CD 3.24Å; S47-E50 VanDerWaalsContact OG-CG 3.22Å; S47-E50 WeakPolarHBondContact OG-CG 3.47Å; S47-E50 PolarHBondContact OG-N 3.46Å; S47-E50 PolarHBondContact OG-OE2 3.45Å; S47-V51 WeakPolarHBondContact O-CG2 3.39Å; S47-V51 PolarHBondContact O-N 3.04Å | ||
| 48 | Q | 85.2 | Confident | 77.4 | Confident | 122 Ų | 122 | 94.6 Ų | 94.6 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -54 | -40.7 | 178.7 | -178 | 62.6 | 21.6 | 0 | 0 | 111.3 | V51 E52 | Q48-V51 PolarHBondContact O-N 3.22Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.48Å; Q48-E52 PolarHBondContact NE2-OE1 3.27Å; Q48-E52 WeakPolarHBondContact O-CG 3.38Å; Q48-E52 PolarHBondContact O-N 2.92Å |
| 49 | K | 89.6 | Confident | 79.4 | Confident | 144 Ų | 144 | 94.4 Ų | 94.4 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.4 | -49.5 | 173.8 | -179.7 | 172.7 | 180 | 171.5 | 0 | 113.1 | S47 V51 E52 D53 | S47-K49 PolarHBondContact O-N 3.37Å; K49-V51 VanDerWaalsContact C-N 3.25Å; K49-V51 PolarHBondContact O-N 2.99Å; K49-E52 PolarHBondContact O-N 3.22Å; K49-E52 VanDerWaalsContact O-N 3.1Å; K49-D53 WeakPolarHBondContact O-CB 3.18Å; K49-D53 PolarHBondContact O-N 3.12Å |
| 50 | E | 88.9 | Confident | 81.3 | Confident | 95 Ų | 95 | 95.1 Ų | 95.1 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.8 | -31 | 179.1 | -69.3 | 160.4 | 127.2 | 0 | 0 | 112.3 | W46 S47 L54 | W46-E50 HydrophobicContact CE3-CB 3.85Å; W46-E50 HydrophobicContact CZ3-CB 4.37Å; S47-E50 VanDerWaalsContact CB-OE2 3.26Å; S47-E50 WeakPolarHBondContact CB-OE2 3.31Å; S47-E50 PolarHBondContact N-OE2 3.39Å; S47-E50 PolarHBondContact O-N 3.31Å; S47-E50 VanDerWaalsContact OG-CD 3.24Å; S47-E50 VanDerWaalsContact OG-CG 3.22Å; S47-E50 WeakPolarHBondContact OG-CG 3.47Å; S47-E50 PolarHBondContact OG-N 3.46Å; S47-E50 PolarHBondContact OG-OE2 3.45Å; E50-L54 WeakPolarHBondContact O-CB 3.42Å; E50-L54 PolarHBondContact O-N 3.04Å |
| 51 | V | 88.9 | Confident | 83.3 | Confident | 44 Ų | 44 | 97.3 Ų | 97.3 | 27% | 0.267 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.1 | -37.6 | 173 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | W46 S47 Q48 K49 K55 | W46-V51 HydrophobicContact CB-CG2 3.68Å; W46-V51 HydrophobicContact CG-CG2 4.48Å; S47-V51 WeakPolarHBondContact O-CG2 3.39Å; S47-V51 PolarHBondContact O-N 3.04Å; Q48-V51 PolarHBondContact O-N 3.22Å; K49-V51 VanDerWaalsContact C-N 3.25Å; K49-V51 PolarHBondContact O-N 2.99Å; V51-K55 HydrophobicContact CG1-CD 4.29Å; V51-K55 WeakPolarHBondContact O-CD 3.34Å; V51-K55 VanDerWaalsContact O-CG 3.23Å; V51-K55 WeakPolarHBondContact O-CG 3.37Å; V51-K55 PolarHBondContact O-N 3.45Å |
| 52 | E | 91.2 | Very high | 85 | Confident | 90 Ų | 90 | 89.9 Ų | 89.9 | 42% | 0.421 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.6 | -49.2 | 175.9 | -74.6 | 164.1 | -176.7 | 0 | 0 | 111.6 | Q48 K49 L54 K55 D56 | Q48-E52 WeakPolarHBondContact CG-OE1 3.48Å; Q48-E52 PolarHBondContact NE2-OE1 3.27Å; Q48-E52 WeakPolarHBondContact O-CG 3.38Å; Q48-E52 PolarHBondContact O-N 2.92Å; K49-E52 PolarHBondContact O-N 3.22Å; K49-E52 VanDerWaalsContact O-N 3.1Å; E52-L54 PolarHBondContact O-N 3.34Å; E52-K55 WeakPolarHBondContact O-CB 3.31Å; E52-K55 PolarHBondContact O-N 3.37Å; E52-D56 PolarHBondContact O-N 3.08Å |
| 53 | D | 91.8 | Very high | 86.7 | Confident | 93 Ų | 93 | 86.2 Ų | 86.2 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -53.5 | -41.3 | 173 | -73.8 | -29.8 | 0 | 0 | 0 | 111.4 | K49 A57 | K49-D53 WeakPolarHBondContact O-CB 3.18Å; K49-D53 PolarHBondContact O-N 3.12Å; D53-A57 VanDerWaalsContact O-CB 3.23Å; D53-A57 WeakPolarHBondContact O-CB 3.39Å; D53-A57 PolarHBondContact O-N 2.94Å |
| 54 | L | 89.9 | Confident | 88.5 | Confident | 56 Ų | 56 | 85.5 Ų | 85.5 | 29% | 0.293 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 176.1 | -178.7 | 62.8 | 0 | 0 | 0 | 112.7 | L21 W46 E50 E52 I58 | L21-L54 HydrophobicContact CD1-CD1 4.19Å; W46-L54 HydrophobicContact CH2-CD2 4.45Å; W46-L54 HydrophobicContact CZ3-CD2 4.26Å; E50-L54 WeakPolarHBondContact O-CB 3.42Å; E50-L54 PolarHBondContact O-N 3.04Å; E52-L54 PolarHBondContact O-N 3.34Å; L54-I58 HydrophobicContact CD1-CD1 3.75Å; L54-I58 HydrophobicContact CD1-CG1 4.19Å; L54-I58 HydrophobicContact CG-CD1 3.89Å; L54-I58 WeakPolarHBondContact O-CB 3.44Å; L54-I58 VanDerWaalsContact O-CG1 3.27Å; L54-I58 WeakPolarHBondContact O-CG1 3.3Å; L54-I58 PolarHBondContact O-N 3.36Å |
| 55 | K | 92.8 | Very high | 89.9 | Confident | 121 Ų | 121 | 89.1 Ų | 89.1 | 53% | 0.526 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 175.8 | -77.7 | 165 | 179.8 | 170.5 | 0 | 110.9 | V51 E52 I58 G59 | V51-K55 HydrophobicContact CG1-CD 4.29Å; V51-K55 WeakPolarHBondContact O-CD 3.34Å; V51-K55 VanDerWaalsContact O-CG 3.23Å; V51-K55 WeakPolarHBondContact O-CG 3.37Å; V51-K55 PolarHBondContact O-N 3.45Å; E52-K55 WeakPolarHBondContact O-CB 3.31Å; E52-K55 PolarHBondContact O-N 3.37Å; K55-I58 PolarHBondContact O-N 3.4Å; K55-G59 PolarHBondContact O-N 2.97Å |
| 56 | D | 94.6 | Very high | 90.8 | Very high | 111 Ų | 111 | 85.5 Ų | 85.5 | 59% | 0.594 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.5 | -42.6 | -179.9 | -82.6 | 8.9 | 0 | 0 | 0 | 111.6 | E52 G59 R60 | E52-D56 PolarHBondContact O-N 3.08Å; D56-G59 PolarHBondContact O-N 3.48Å; D56-R60 VanDerWaalsContact O-CB 3.3Å; D56-R60 WeakPolarHBondContact O-CB 3.45Å; D56-R60 WeakPolarHBondContact O-CD 3.23Å; D56-R60 WeakPolarHBondContact O-CG 3.22Å; D56-R60 PolarHBondContact O-N 3.3Å |
| 57 | A | 93.1 | Very high | 91.3 | Very high | 59 Ų | 59 | 87.3 Ų | 87.3 | 49% | 0.488 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D53 F61 | D53-A57 VanDerWaalsContact O-CB 3.23Å; D53-A57 WeakPolarHBondContact O-CB 3.39Å; D53-A57 PolarHBondContact O-N 2.94Å; A57-F61 VanDerWaalsContact O-CB 3.26Å; A57-F61 WeakPolarHBondContact O-CB 3.26Å; A57-F61 PolarHBondContact O-N 3.35Å |
| 58 | I | 92.8 | Very high | 91.7 | Very high | 93 Ų | 93 | 88.8 Ų | 88.8 | 48% | 0.477 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 178 | -68.6 | 171.2 | 0 | 0 | 0 | 111.3 | L54 K55 F61 G62 | L54-I58 HydrophobicContact CD1-CD1 3.75Å; L54-I58 HydrophobicContact CD1-CG1 4.19Å; L54-I58 HydrophobicContact CG-CD1 3.89Å; L54-I58 WeakPolarHBondContact O-CB 3.44Å; L54-I58 VanDerWaalsContact O-CG1 3.27Å; L54-I58 WeakPolarHBondContact O-CG1 3.3Å; L54-I58 PolarHBondContact O-N 3.36Å; K55-I58 PolarHBondContact O-N 3.4Å; I58-F61 PolarHBondContact O-N 2.98Å; I58-G62 PolarHBondContact O-N 3.48Å |
| 59 | G | 92.8 | Very high | 91.8 | Very high | 47 Ų | 47 | 85.1 Ų | 85.1 | 49% | 0.485 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K55 D56 G62 S63 | K55-G59 PolarHBondContact O-N 2.97Å; D56-G59 PolarHBondContact O-N 3.48Å; G59-G62 PolarHBondContact O-N 2.94Å; G59-S63 PolarHBondContact O-N 2.94Å |
| 60 | R | 94.1 | Very high | 91.9 | Very high | 182 Ų | 182 | 84.1 Ų | 84.1 | 69% | 0.687 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.6 | -46.6 | 173.6 | -70.9 | 169.7 | 64.6 | 167.2 | 1.6 | 111.6 | D56 G62 S63 D64 | D56-R60 VanDerWaalsContact O-CB 3.3Å; D56-R60 WeakPolarHBondContact O-CB 3.45Å; D56-R60 WeakPolarHBondContact O-CD 3.23Å; D56-R60 WeakPolarHBondContact O-CG 3.22Å; D56-R60 PolarHBondContact O-N 3.3Å; R60-G62 VanDerWaalsContact C-N 3.34Å; R60-G62 PolarHBondContact O-N 3.42Å; R60-S63 WeakPolarHBondContact O-CB 3.47Å; R60-S63 PolarHBondContact O-N 2.91Å; R60-D64 PolarHBondContact O-N 2.95Å |
| 61 | F | 92.3 | Very high | 91.9 | Very high | 92 Ų | 92 | 82.3 Ų | 82.3 | 40% | 0.404 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 176.6 | 179.5 | -114.4 | 0 | 0 | 0 | 112.2 | F18 A57 I58 D64 L65 | F18-F61 HydrophobicContact CZ-CE1 4.11Å; A57-F61 VanDerWaalsContact O-CB 3.26Å; A57-F61 WeakPolarHBondContact O-CB 3.26Å; A57-F61 PolarHBondContact O-N 3.35Å; I58-F61 PolarHBondContact O-N 2.98Å; F61-D64 PolarHBondContact O-N 3.39Å; F61-L65 HydrophobicContact CD1-CD1 4.06Å; F61-L65 HydrophobicContact CE1-CD1 3.58Å; F61-L65 HydrophobicContact CE1-CG 4.39Å; F61-L65 HydrophobicContact CE2-CD1 4.27Å; F61-L65 HydrophobicContact CE2-CD2 4.41Å; F61-L65 HydrophobicContact CE2-CG 4.26Å; F61-L65 HydrophobicContact CZ-CD1 3.7Å; F61-L65 HydrophobicContact CZ-CD2 4.39Å; F61-L65 HydrophobicContact CZ-CG 4.18Å; F61-L65 WeakPolarHBondContact O-CG 3.33Å; F61-L65 PolarHBondContact O-N 2.87Å |
| 62 | G | 91.5 | Very high | 91.9 | Very high | 33 Ų | 33 | 85 Ų | 85 | 34% | 0.34 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | I58 G59 R60 D64 L65 S66 | I58-G62 PolarHBondContact O-N 3.48Å; G59-G62 PolarHBondContact O-N 2.94Å; R60-G62 VanDerWaalsContact C-N 3.34Å; R60-G62 PolarHBondContact O-N 3.42Å; G62-D64 PolarHBondContact O-N 2.88Å; G62-L65 PolarHBondContact O-N 3.46Å; G62-S66 PolarHBondContact O-N 3.27Å; G62-S66 PolarHBondContact O-OG 3.48Å |
| 63 | S | 93.5 | Very high | 91.7 | Very high | 57 Ų | 57 | 86.6 Ų | 86.6 | 40% | 0.399 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 175.3 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | G59 R60 S66 K67 | G59-S63 PolarHBondContact O-N 2.94Å; R60-S63 WeakPolarHBondContact O-CB 3.47Å; R60-S63 PolarHBondContact O-N 2.91Å; S63-S66 PolarHBondContact O-N 3.2Å; S63-K67 WeakPolarHBondContact O-CG 3.06Å; S63-K67 PolarHBondContact O-N 3.46Å; S63-K67 VanDerWaalsContact O-N 3.1Å; S63-K67 VanDerWaalsContact OG-CE 3.31Å; S63-K67 WeakPolarHBondContact OG-CE 3.38Å; S63-K67 PolarHBondContact OG-NZ 3.11Å |
| 64 | D | 94 | Very high | 91.5 | Very high | 82 Ų | 82 | 86 Ų | 86 | 44% | 0.439 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.7 | -36.1 | -179.5 | -69.8 | -25.6 | 0 | 0 | 0 | 112.2 | R60 F61 G62 K67 V68 | R60-D64 PolarHBondContact O-N 2.95Å; F61-D64 PolarHBondContact O-N 3.39Å; G62-D64 PolarHBondContact O-N 2.88Å; D64-K67 PolarHBondContact O-N 2.81Å; D64-K67 IonicContact OD1-NZ 2.68Å; D64-K67 PolarHBondContact OD1-NZ 2.91Å; D64-V68 WeakPolarHBondContact O-CG2 3.21Å; D64-V68 PolarHBondContact O-N 3.04Å |
| 65 | L | 92.8 | Very high | 91.4 | Very high | 83 Ų | 83 | 89.7 Ų | 89.7 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 170.3 | -73.2 | -179.8 | 0 | 0 | 0 | 112.3 | F61 G62 V68 A69 | F61-L65 HydrophobicContact CD1-CD1 4.06Å; F61-L65 HydrophobicContact CE1-CD1 3.58Å; F61-L65 HydrophobicContact CE1-CG 4.39Å; F61-L65 HydrophobicContact CE2-CD1 4.27Å; F61-L65 HydrophobicContact CE2-CD2 4.41Å; F61-L65 HydrophobicContact CE2-CG 4.26Å; F61-L65 HydrophobicContact CZ-CD1 3.7Å; F61-L65 HydrophobicContact CZ-CD2 4.39Å; F61-L65 HydrophobicContact CZ-CG 4.18Å; F61-L65 WeakPolarHBondContact O-CG 3.33Å; F61-L65 PolarHBondContact O-N 2.87Å; G62-L65 PolarHBondContact O-N 3.46Å; L65-V68 PolarHBondContact O-N 3.35Å; L65-A69 PolarHBondContact O-N 2.91Å |
| 66 | S | 90.9 | Very high | 91 | Very high | 69 Ų | 69 | 87 Ų | 87 | 48% | 0.483 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 175.4 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | G62 S63 V68 A69 E70 | G62-S66 PolarHBondContact O-N 3.27Å; G62-S66 PolarHBondContact O-OG 3.48Å; S63-S66 PolarHBondContact O-N 3.2Å; S66-V68 VanDerWaalsContact C-N 3.28Å; S66-V68 PolarHBondContact O-N 2.92Å; S66-A69 WeakPolarHBondContact O-CB 3.49Å; S66-A69 PolarHBondContact O-N 2.94Å; S66-A69 VanDerWaalsContact O-N 3.1Å; S66-E70 WeakPolarHBondContact O-CG 3.42Å; S66-E70 PolarHBondContact O-N 2.8Å |
| 67 | K | 93.4 | Very high | 90.5 | Very high | 110 Ų | 110 | 85.5 Ų | 85.5 | 48% | 0.478 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59 | -39.7 | 174.7 | -64.5 | 164.9 | -156.5 | 159.7 | 0 | 112 | S63 D64 A71 | S63-K67 WeakPolarHBondContact O-CG 3.06Å; S63-K67 PolarHBondContact O-N 3.46Å; S63-K67 VanDerWaalsContact O-N 3.1Å; S63-K67 VanDerWaalsContact OG-CE 3.31Å; S63-K67 WeakPolarHBondContact OG-CE 3.38Å; S63-K67 PolarHBondContact OG-NZ 3.11Å; D64-K67 PolarHBondContact O-N 2.81Å; D64-K67 IonicContact OD1-NZ 2.68Å; D64-K67 PolarHBondContact OD1-NZ 2.91Å; K67-A71 WeakPolarHBondContact O-CB 3.27Å; K67-A71 PolarHBondContact O-N 3.33Å |
| 68 | V | 90.8 | Very high | 90.1 | Very high | 81 Ų | 81 | 86.4 Ų | 86.4 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 175.8 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | D64 L65 S66 A71 I72 | D64-V68 WeakPolarHBondContact O-CG2 3.21Å; D64-V68 PolarHBondContact O-N 3.04Å; L65-V68 PolarHBondContact O-N 3.35Å; S66-V68 VanDerWaalsContact C-N 3.28Å; S66-V68 PolarHBondContact O-N 2.92Å; V68-A71 PolarHBondContact O-N 3.1Å; V68-I72 HydrophobicContact CG1-CD1 3.85Å; V68-I72 VanDerWaalsContact O-CG1 3.26Å; V68-I72 WeakPolarHBondContact O-CG1 3.47Å; V68-I72 PolarHBondContact O-N 2.85Å |
| 69 | A | 88 | Confident | 89.8 | Confident | 46 Ų | 46 | 86.7 Ų | 86.7 | 38% | 0.38 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.1 | -50.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L65 S66 A71 I72 E73 | L65-A69 PolarHBondContact O-N 2.91Å; S66-A69 WeakPolarHBondContact O-CB 3.49Å; S66-A69 PolarHBondContact O-N 2.94Å; S66-A69 VanDerWaalsContact O-N 3.1Å; A69-A71 VanDerWaalsContact C-N 3.29Å; A69-A71 PolarHBondContact O-N 3.23Å; A69-I72 PolarHBondContact O-N 2.72Å; A69-E73 PolarHBondContact O-N 3.04Å |
| 70 | E | 92.3 | Very high | 89.1 | Confident | 122 Ų | 122 | 89.5 Ų | 89.5 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -56.4 | -40.4 | 176 | -71.6 | 173.2 | -162.3 | 0 | 0 | 112.6 | S66 E73 T74 | S66-E70 WeakPolarHBondContact O-CG 3.42Å; S66-E70 PolarHBondContact O-N 2.8Å; E70-E73 PolarHBondContact O-N 3.04Å; E70-T74 VanDerWaalsContact O-CB 3.29Å; E70-T74 WeakPolarHBondContact O-CB 3.41Å; E70-T74 PolarHBondContact O-N 2.97Å; E70-T74 PolarHBondContact O-OG1 3.02Å |
| 71 | A | 88.1 | Confident | 88.6 | Confident | 58 Ų | 58 | 86.6 Ų | 86.6 | 48% | 0.479 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K67 V68 A69 K75 | K67-A71 WeakPolarHBondContact O-CB 3.27Å; K67-A71 PolarHBondContact O-N 3.33Å; V68-A71 PolarHBondContact O-N 3.1Å; A69-A71 VanDerWaalsContact C-N 3.29Å; A69-A71 PolarHBondContact O-N 3.23Å; A71-K75 WeakPolarHBondContact O-CB 3.41Å; A71-K75 PolarHBondContact O-N 3.23Å |
| 72 | I | 88.9 | Confident | 88.1 | Confident | 99 Ų | 99 | 88.1 Ų | 88.1 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 174.8 | -70.1 | 166 | 0 | 0 | 0 | 110.7 | V68 A69 K75 T76 | V68-I72 HydrophobicContact CG1-CD1 3.85Å; V68-I72 VanDerWaalsContact O-CG1 3.26Å; V68-I72 WeakPolarHBondContact O-CG1 3.47Å; V68-I72 PolarHBondContact O-N 2.85Å; A69-I72 PolarHBondContact O-N 2.72Å; I72-K75 PolarHBondContact O-N 3.46Å; I72-T76 VanDerWaalsContact O-CB 3.3Å; I72-T76 WeakPolarHBondContact O-CB 3.45Å; I72-T76 PolarHBondContact O-N 3.43Å; I72-T76 PolarHBondContact O-OG1 3.46Å |
| 73 | E | 87.3 | Confident | 87.6 | Confident | 125 Ų | 125 | 93.5 Ų | 93.5 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.6 | -51.3 | 175.3 | -73.6 | -172.8 | -179.5 | 0 | 0 | 111.3 | A69 E70 K75 T76 I77 | A69-E73 PolarHBondContact O-N 3.04Å; E70-E73 PolarHBondContact O-N 3.04Å; E73-K75 VanDerWaalsContact C-N 3.29Å; E73-K75 PolarHBondContact O-N 3.11Å; E73-T76 CarbonylContact O-C 3.57Å; E73-T76 WeakPolarHBondContact O-CA 3.23Å; E73-T76 WeakPolarHBondContact O-CB 3.41Å; E73-T76 PolarHBondContact O-N 3.45Å; E73-I77 WeakPolarHBondContact O-CG1 3.49Å; E73-I77 PolarHBondContact O-N 3.35Å |
| 74 | T | 87 | Confident | 86.9 | Confident | 80 Ų | 80 | 96.6 Ų | 96.6 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -55.7 | -45.3 | 177.4 | -62.5 | 0 | 0 | 0 | 0 | 111.3 | E70 N78 | E70-T74 VanDerWaalsContact O-CB 3.29Å; E70-T74 WeakPolarHBondContact O-CB 3.41Å; E70-T74 PolarHBondContact O-N 2.97Å; E70-T74 PolarHBondContact O-OG1 3.02Å; T74-N78 WeakPolarHBondContact O-CB 3.31Å; T74-N78 VanDerWaalsContact O-CG 3.23Å; T74-N78 PolarHBondContact O-N 3.29Å; T74-N78 PolarHBondContact O-ND2 2.89Å |
| 75 | K | 87.6 | Confident | 86.1 | Confident | 134 Ų | 134 | 99.2 Ų | 99.2 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63 | -41.2 | 175.1 | -177.3 | 175.7 | -178.8 | 175.1 | 0 | 112.2 | A71 I72 E73 N78 Q79 | A71-K75 WeakPolarHBondContact O-CB 3.41Å; A71-K75 PolarHBondContact O-N 3.23Å; I72-K75 PolarHBondContact O-N 3.46Å; E73-K75 VanDerWaalsContact C-N 3.29Å; E73-K75 PolarHBondContact O-N 3.11Å; K75-N78 PolarHBondContact O-N 3.18Å; K75-Q79 WeakPolarHBondContact O-CB 3.45Å; K75-Q79 VanDerWaalsContact O-CG 3.31Å; K75-Q79 WeakPolarHBondContact O-CG 3.49Å; K75-Q79 PolarHBondContact O-N 3.47Å |
| 76 | T | 85.8 | Confident | 85.3 | Confident | 63 Ų | 63 | 98.5 Ų | 98.5 | 39% | 0.387 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 179.4 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | I72 E73 N78 Q79 I80 | I72-T76 VanDerWaalsContact O-CB 3.3Å; I72-T76 WeakPolarHBondContact O-CB 3.45Å; I72-T76 PolarHBondContact O-N 3.43Å; I72-T76 PolarHBondContact O-OG1 3.46Å; E73-T76 CarbonylContact O-C 3.57Å; E73-T76 WeakPolarHBondContact O-CA 3.23Å; E73-T76 WeakPolarHBondContact O-CB 3.41Å; E73-T76 PolarHBondContact O-N 3.45Å; T76-N78 VanDerWaalsContact C-N 3.32Å; T76-N78 PolarHBondContact O-N 3.43Å; T76-Q79 PolarHBondContact O-N 2.63Å; T76-I80 HydrophobicContact CG2-CD1 4.01Å; T76-I80 VanDerWaalsContact O-CG1 3.31Å; T76-I80 WeakPolarHBondContact O-CG1 3.49Å; T76-I80 PolarHBondContact O-N 3.16Å |
| 77 | I | 83 | Confident | 84.3 | Confident | 81 Ų | 81 | 103.9 Ų | 103.9 | 42% | 0.415 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.7 | -44.9 | 173.6 | -67.8 | 164.8 | 0 | 0 | 0 | 110.3 | E73 I80 K81 | E73-I77 WeakPolarHBondContact O-CG1 3.49Å; E73-I77 PolarHBondContact O-N 3.35Å; I77-I80 PolarHBondContact O-N 2.8Å; I77-K81 HydrophobicContact CG2-CD 4.04Å; I77-K81 WeakPolarHBondContact O-CB 3.22Å; I77-K81 VanDerWaalsContact O-CG 3.31Å; I77-K81 WeakPolarHBondContact O-CG 3.26Å; I77-K81 PolarHBondContact O-N 3.16Å |
| 78 | N | 85.9 | Confident | 83.1 | Confident | 77 Ų | 77 | 101.3 Ų | 101.3 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 177.2 | -74.3 | -24.1 | 0 | 0 | 0 | 112.3 | T74 K75 T76 K81 Q82 | T74-N78 WeakPolarHBondContact O-CB 3.31Å; T74-N78 VanDerWaalsContact O-CG 3.23Å; T74-N78 PolarHBondContact O-N 3.29Å; T74-N78 PolarHBondContact O-ND2 2.89Å; K75-N78 PolarHBondContact O-N 3.18Å; T76-N78 VanDerWaalsContact C-N 3.32Å; T76-N78 PolarHBondContact O-N 3.43Å; N78-K81 PolarHBondContact O-N 2.85Å; N78-Q82 WeakPolarHBondContact O-CB 3.42Å; N78-Q82 WeakPolarHBondContact O-CG 3.41Å; N78-Q82 PolarHBondContact O-N 3.05Å |
| 79 | Q | 85.5 | Confident | 81.8 | Confident | 99 Ų | 99 | 102.1 Ų | 102.1 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 173.3 | -75.2 | -179.9 | 1.2 | 0 | 0 | 112.4 | K75 T76 Q82 K83 | K75-Q79 WeakPolarHBondContact O-CB 3.45Å; K75-Q79 VanDerWaalsContact O-CG 3.31Å; K75-Q79 WeakPolarHBondContact O-CG 3.49Å; K75-Q79 PolarHBondContact O-N 3.47Å; T76-Q79 PolarHBondContact O-N 2.63Å; Q79-Q82 PolarHBondContact O-N 3.2Å; Q79-K83 WeakPolarHBondContact O-CB 3.36Å; Q79-K83 VanDerWaalsContact O-CG 3.28Å; Q79-K83 WeakPolarHBondContact O-CG 3.43Å; Q79-K83 PolarHBondContact O-N 3.23Å |
| 80 | I | 78.8 | Confident | 80.9 | Confident | 107 Ų | 107 | 106.4 Ų | 106.4 | 55% | 0.549 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 173.9 | -68.8 | 164.9 | 0 | 0 | 0 | 110.1 | T76 I77 Q82 K83 L84 | T76-I80 HydrophobicContact CG2-CD1 4.01Å; T76-I80 VanDerWaalsContact O-CG1 3.31Å; T76-I80 WeakPolarHBondContact O-CG1 3.49Å; T76-I80 PolarHBondContact O-N 3.16Å; I77-I80 PolarHBondContact O-N 2.8Å; I80-Q82 PolarHBondContact O-N 3.28Å; I80-K83 PolarHBondContact O-N 2.98Å; I80-L84 WeakPolarHBondContact O-CB 3.42Å; I80-L84 PolarHBondContact O-N 3.06Å |
| 81 | K | 82.3 | Confident | 79.4 | Confident | 120 Ų | 120 | 108 Ų | 108 | 52% | 0.522 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 175.5 | -74.3 | 172.4 | 179.9 | 174.1 | 0 | 111.9 | I77 N78 L84 K85 | I77-K81 HydrophobicContact CG2-CD 4.04Å; I77-K81 WeakPolarHBondContact O-CB 3.22Å; I77-K81 VanDerWaalsContact O-CG 3.31Å; I77-K81 WeakPolarHBondContact O-CG 3.26Å; I77-K81 PolarHBondContact O-N 3.16Å; N78-K81 PolarHBondContact O-N 2.85Å; K81-L84 PolarHBondContact O-N 3.27Å; K81-K85 WeakPolarHBondContact O-CB 3.41Å; K81-K85 WeakPolarHBondContact O-CG 3.45Å; K81-K85 PolarHBondContact O-N 3.44Å |
| 82 | Q | 83.6 | Confident | 78.1 | Confident | 125 Ų | 125 | 108.4 Ų | 108.4 | 58% | 0.584 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.1 | -48.6 | 174.8 | -78.3 | 177.1 | -21.1 | 0 | 0 | 111.5 | N78 Q79 I80 L84 K85 T86 | N78-Q82 WeakPolarHBondContact O-CB 3.42Å; N78-Q82 WeakPolarHBondContact O-CG 3.41Å; N78-Q82 PolarHBondContact O-N 3.05Å; Q79-Q82 PolarHBondContact O-N 3.2Å; I80-Q82 PolarHBondContact O-N 3.28Å; Q82-L84 VanDerWaalsContact C-N 3.31Å; Q82-L84 PolarHBondContact O-N 3.24Å; Q82-K85 PolarHBondContact O-N 3.37Å; Q82-T86 PolarHBondContact O-N 3.04Å; Q82-T86 PolarHBondContact O-OG1 3.45Å; Q82-T86 VanDerWaalsContact O-OG1 3.06Å |
| 83 | K | 81 | Confident | 76.2 | Confident | 146 Ų | 146 | 106.8 Ų | 106.8 | 64% | 0.635 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.8 | -34.6 | 178.1 | -69.5 | -63.4 | -178.2 | -173 | 0 | 112.5 | Q79 I80 R87 | Q79-K83 WeakPolarHBondContact O-CB 3.36Å; Q79-K83 VanDerWaalsContact O-CG 3.28Å; Q79-K83 WeakPolarHBondContact O-CG 3.43Å; Q79-K83 PolarHBondContact O-N 3.23Å; I80-K83 PolarHBondContact O-N 2.98Å; K83-R87 VanDerWaalsContact O-CB 3.29Å; K83-R87 WeakPolarHBondContact O-CB 3.14Å; K83-R87 VanDerWaalsContact O-CG 3.25Å; K83-R87 WeakPolarHBondContact O-CG 3.48Å; K83-R87 PolarHBondContact O-N 2.73Å |
| 84 | L | 78.8 | Confident | 74.7 | Confident | 121 Ų | 121 | 105.2 Ų | 105.2 | 63% | 0.634 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.7 | -44.3 | 173.8 | -175.8 | 62 | 0 | 0 | 0 | 111.4 | I80 K81 Q82 R87 A88 | I80-L84 WeakPolarHBondContact O-CB 3.42Å; I80-L84 PolarHBondContact O-N 3.06Å; K81-L84 PolarHBondContact O-N 3.27Å; Q82-L84 VanDerWaalsContact C-N 3.31Å; Q82-L84 PolarHBondContact O-N 3.24Å; L84-R87 PolarHBondContact O-N 3.44Å; L84-A88 WeakPolarHBondContact O-CB 3.39Å; L84-A88 PolarHBondContact O-N 2.96Å |
| 85 | K | 76.6 | Confident | 72.6 | Confident | 138 Ų | 138 | 104 Ų | 104 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.5 | -52.6 | 172.5 | -76.4 | -179.7 | 176.8 | -170.7 | 0 | 111.4 | K81 Q82 R87 A88 F89 | K81-K85 WeakPolarHBondContact O-CB 3.41Å; K81-K85 WeakPolarHBondContact O-CG 3.45Å; K81-K85 PolarHBondContact O-N 3.44Å; Q82-K85 PolarHBondContact O-N 3.37Å; K85-R87 VanDerWaalsContact C-N 3.3Å; K85-R87 PolarHBondContact O-N 2.95Å; K85-A88 PolarHBondContact O-N 3.27Å; K85-A88 VanDerWaalsContact O-N 3.11Å; K85-F89 HydrophobicContact CB-CD2 4.45Å; K85-F89 HydrophobicContact CB-CE2 4.17Å; K85-F89 WeakPolarHBondContact O-CD2 3.28Å; K85-F89 PolarHBondContact O-N 2.98Å |
| 86 | T | 76.7 | Confident | 70.7 | Confident | 68 Ų | 68 | 105.9 Ų | 105.9 | 42% | 0.417 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.8 | -39.1 | 178.2 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | Q82 F89 Q90 | Q82-T86 PolarHBondContact O-N 3.04Å; Q82-T86 PolarHBondContact O-OG1 3.45Å; Q82-T86 VanDerWaalsContact O-OG1 3.06Å; T86-F89 PolarHBondContact O-N 3.46Å; T86-Q90 WeakPolarHBondContact O-CB 3.37Å; T86-Q90 VanDerWaalsContact O-CG 3.32Å; T86-Q90 WeakPolarHBondContact O-CG 3.4Å; T86-Q90 PolarHBondContact O-N 2.85Å |
| 87 | R | 69.1 | Low | 69.1 | Low | 181 Ų | 181 | 108.2 Ų | 108.2 | 68% | 0.683 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.6 | -45.1 | 172.7 | -79.2 | 176.8 | 179.7 | -126.4 | 2.5 | 111.7 | K83 L84 K85 F89 Q90 D91 | K83-R87 VanDerWaalsContact O-CB 3.29Å; K83-R87 WeakPolarHBondContact O-CB 3.14Å; K83-R87 VanDerWaalsContact O-CG 3.25Å; K83-R87 WeakPolarHBondContact O-CG 3.48Å; K83-R87 PolarHBondContact O-N 2.73Å; L84-R87 PolarHBondContact O-N 3.44Å; K85-R87 VanDerWaalsContact C-N 3.3Å; K85-R87 PolarHBondContact O-N 2.95Å; R87-F89 VanDerWaalsContact C-N 3.33Å; R87-F89 PolarHBondContact O-N 3.02Å; R87-Q90 PolarHBondContact O-N 2.92Å; R87-D91 WeakPolarHBondContact O-CB 3.34Å; R87-D91 PolarHBondContact O-N 3.2Å |
| 88 | A | 67.9 | Low | 67.1 | Low | 57 Ų | 57 | 109 Ų | 109 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.3 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L84 K85 A92 | L84-A88 WeakPolarHBondContact O-CB 3.39Å; L84-A88 PolarHBondContact O-N 2.96Å; K85-A88 PolarHBondContact O-N 3.27Å; K85-A88 VanDerWaalsContact O-N 3.11Å; A88-A92 WeakPolarHBondContact O-CB 3.33Å; A88-A92 PolarHBondContact O-N 2.75Å |
| 89 | F | 64.7 | Low | 65.6 | Low | 97 Ų | 97 | 111.1 Ų | 111.1 | 43% | 0.425 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67 | -41.5 | 173.5 | -68.6 | -61.1 | 0 | 0 | 0 | 112.5 | K85 T86 R87 G93 L94 | K85-F89 HydrophobicContact CB-CD2 4.45Å; K85-F89 HydrophobicContact CB-CE2 4.17Å; K85-F89 WeakPolarHBondContact O-CD2 3.28Å; K85-F89 PolarHBondContact O-N 2.98Å; T86-F89 PolarHBondContact O-N 3.46Å; R87-F89 VanDerWaalsContact C-N 3.33Å; R87-F89 PolarHBondContact O-N 3.02Å; F89-G93 PolarHBondContact O-N 3.3Å; F89-L94 HydrophobicContact CD1-CD1 4.5Å; F89-L94 CarbonylContact O-C 3.53Å; F89-L94 WeakPolarHBondContact O-CA 3.31Å; F89-L94 PolarHBondContact O-N 2.84Å |
| 90 | Q | 68.7 | Low | 63.7 | Low | 137 Ų | 137 | 113.6 Ų | 113.6 | 64% | 0.64 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.3 | -41.3 | 175.3 | -74.1 | 176.4 | 2.8 | 0 | 0 | 112.8 | T86 R87 G93 | T86-Q90 WeakPolarHBondContact O-CB 3.37Å; T86-Q90 VanDerWaalsContact O-CG 3.32Å; T86-Q90 WeakPolarHBondContact O-CG 3.4Å; T86-Q90 PolarHBondContact O-N 2.85Å; R87-Q90 PolarHBondContact O-N 2.92Å; Q90-G93 PolarHBondContact O-N 2.95Å |
| 91 | D | 60.1 | Low | 62.1 | Low | 154 Ų | 154 | 115.5 Ų | 115.5 | 82% | 0.824 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.3 | -32 | -177.8 | -158.4 | 48.1 | 0 | 0 | 0 | 111.7 | R87 G93 | R87-D91 WeakPolarHBondContact O-CB 3.34Å; R87-D91 PolarHBondContact O-N 3.2Å; D91-G93 PolarHBondContact O-N 2.88Å |
| 92 | A | 61.3 | Low | 60.4 | Low | 67 Ų | 67 | 117.4 Ų | 117.4 | 55% | 0.554 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 5.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114 | A88 L94 | A88-A92 WeakPolarHBondContact O-CB 3.33Å; A88-A92 PolarHBondContact O-N 2.75Å; A92-L94 HydrophobicContact CB-CD1 4.03Å; A92-L94 PolarHBondContact O-N 3.22Å |
| 93 | G | 48.5 | Very low | 58.4 | Low | 66 Ų | 66 | 116 Ų | 116 | 68% | 0.68 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.3 | 8.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F89 Q90 D91 G95 | F89-G93 PolarHBondContact O-N 3.3Å; Q90-G93 PolarHBondContact O-N 2.95Å; D91-G93 PolarHBondContact O-N 2.88Å; G93-G95 PolarHBondContact O-N 3.1Å |
| 94 | L | 56 | Low | 56.9 | Low | 92 Ų | 92 | 114.7 Ų | 114.7 | 48% | 0.482 | 64% | 0.644 | S | S | . | * | trans | -85.9 | 59.3 | 179 | -68.8 | 157 | 0 | 0 | 0 | 110.2 | F89 A92 I97 | F89-L94 HydrophobicContact CD1-CD1 4.5Å; F89-L94 CarbonylContact O-C 3.53Å; F89-L94 WeakPolarHBondContact O-CA 3.31Å; F89-L94 PolarHBondContact O-N 2.84Å; A92-L94 HydrophobicContact CB-CD1 4.03Å; A92-L94 PolarHBondContact O-N 3.22Å; L94-I97 HydrophobicContact CD2-CD1 4.15Å | ||
| 95 | G | 42.3 | Very low | 55.2 | Low | 55 Ų | 55 | 115.8 Ų | 115.8 | 57% | 0.567 | 65% | 0.651 | S | S | * | * | trans | -74.7 | 146.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G93 | G93-G95 PolarHBondContact O-N 3.1Š| ||
| 96 | D | 49.2 | Very low | 53.7 | Low | 172 Ų | 172 | 115.1 Ų | 115.1 | 92% | 0.92 | 66% | 0.659 | S | S | * | * | trans | 61.5 | 38.1 | 171.6 | -64 | -10.9 | 0 | 0 | 0 | 118.1 | ||||
| 97 | I | 51.2 | Low | 52.2 | Low | 113 Ų | 113 | 121 Ų | 121 | 58% | 0.579 | 68% | 0.681 | S | S | * | * | trans | -98.5 | 104.4 | 148.1 | -6.6 | 176.8 | 0 | 0 | 0 | 109.7 | L94 L99 | L94-I97 HydrophobicContact CD2-CD1 4.15Å; I97-L99 PolarHBondContact O-N 3.5Å | ||
| 98 | S | 42.1 | Very low | 51 | Low | 96 Ų | 96 | 118.5 Ų | 118.5 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | trans | -65.5 | 96.7 | 165.7 | -169.9 | 0 | 0 | 0 | 0 | 108.5 | E100 | S98-E100 PolarHBondContact O-N 3.28Š| ||
| 99 | L | 53.7 | Low | 49.9 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | trans | -75.6 | 60.7 | 173.9 | -80.1 | 160.9 | 0 | 0 | 0 | 110.7 | I97 | I97-L99 PolarHBondContact O-N 3.5Š| ||
| 100 | E | 45.6 | Very low | 48.7 | Very low | 152 Ų | 152 | 126.5 Ų | 126.5 | 71% | 0.71 | 72% | 0.723 | S | S | * | * | trans | -86.6 | 117.8 | 154.6 | -71.9 | -169.9 | 137.4 | 0 | 0 | 108.2 | S98 | S98-E100 PolarHBondContact O-N 3.28Š| ||
| 101 | N | 43.8 | Very low | 47.5 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | 63.2 | 68.1 | 158.3 | -48.8 | -41.1 | 0 | 0 | 0 | 118.2 | ||||
| 102 | E | 47 | Very low | 46.8 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | -87.6 | 99.1 | 153 | -87.3 | -83.4 | 88.7 | 0 | 0 | 109.4 | ||||
| 103 | A | 43.1 | Very low | 46 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 79% | 0.793 | 74% | 0.737 | S | S | * | * | trans | -134 | 55.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 104 | V | 48.2 | Very low | 46.1 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | trans | -152.3 | 141.3 | -175.9 | 176.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 105 | D | 42.5 | Very low | 45.6 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | cis | -157.9 | 148 | -24.1 | -176.3 | 8.1 | 0 | 0 | 0 | 106.1 | E107 | D105-E107 PolarHBondContact O-N 2.76Š| ||
| 106 | T | 45.7 | Very low | 45.7 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | -84.4 | 98.3 | -179.5 | 43.6 | 0 | 0 | 0 | 0 | 110.8 | T108 | T106-T108 PolarHBondContact O-N 2.99Š| ||
| 107 | E | 44.4 | Very low | 45.7 | Very low | 191 Ų | 191 | 134 Ų | 134 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | -65.2 | 99.7 | 172.2 | -172.7 | -178.8 | 116 | 0 | 0 | 110.8 | D105 | D105-E107 PolarHBondContact O-N 2.76Š| ||
| 108 | T | 44.5 | Very low | 46 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -159 | 112.6 | 152.9 | -0.9 | 0 | 0 | 0 | 0 | 113.6 | T106 | T106-T108 PolarHBondContact O-N 2.99Š| ||
| 109 | K | 46 | Very low | 46.1 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | 84.5 | 120.7 | 152.6 | -153.6 | 173.4 | -173.2 | 175.1 | 0 | 118.4 | ||||
| 110 | P | 38.2 | Very low | 46.3 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -97.2 | 144.2 | -176.8 | 36.4 | -33.8 | 0 | 0 | 0 | 114.2 | ||||
| 111 | K | 44.6 | Very low | 46.6 | Very low | 201 Ų | 201 | 136.7 Ų | 136.7 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -164.1 | 111 | 144.6 | -156.4 | 163.4 | -177.9 | 176.9 | 0 | 114.4 | ||||
| 112 | A | 44.6 | Very low | 46.9 | Very low | 85 Ų | 85 | 139.7 Ų | 139.7 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | 49.5 | 132.2 | 147.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 113 | T | 44.2 | Very low | 46.9 | Very low | 119 Ų | 119 | 136 Ų | 136 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | 162.4 | 114.3 | 102.8 | -65.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 114 | T | 49.9 | Very low | 47.3 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | 59.4 | 136.5 | 158.1 | 51.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 115 | P | 46.9 | Very low | 47.6 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -106 | 162.3 | 171.9 | 40.5 | -33.3 | 0 | 0 | 0 | 114.1 | ||||
| 116 | N | 43.6 | Very low | 48.1 | Very low | 160 Ų | 160 | 152.4 Ų | 152.4 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -161.1 | 149.2 | 152.8 | -154.3 | 0.1 | 0 | 0 | 0 | 114.1 | ||||
| 117 | A | 49.1 | Very low | 48.8 | Very low | 78 Ų | 78 | 155.5 Ų | 155.5 | 65% | 0.645 | 82% | 0.82 | S | S | * | * | trans | 57.1 | 138.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 118 | T | 57.9 | Low | 49 | Very low | 131 Ų | 131 | 151.1 Ų | 151.1 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | cis | -163.1 | 146.5 | -3.6 | 16.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 119 | P | 45.2 | Very low | 49.3 | Very low | 126 Ų | 126 | 152.7 Ų | 152.7 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -109.9 | 123 | -177.7 | 36.3 | -27.5 | 0 | 0 | 0 | 115.4 | ||||
| 120 | V | 56.3 | Low | 49.5 | Very low | 137 Ų | 137 | 148.8 Ų | 148.8 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | -155 | 130.8 | -178.2 | 169.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 121 | E | 52.6 | Low | 50.1 | Low | 145 Ų | 145 | 151.1 Ų | 151.1 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | cis | -152.3 | -134.9 | -6.6 | -133.3 | -137.5 | 56.2 | 0 | 0 | 114.3 | ||||
| 122 | R | 49.2 | Very low | 50.6 | Low | 210 Ų | 210 | 150 Ų | 150 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | -93.1 | 148.7 | -172.1 | -63.8 | 167.1 | 176.2 | 92.8 | -0.1 | 115.7 | ||||
| 123 | G | 48.7 | Very low | 51.1 | Low | 84 Ų | 84 | 151.4 Ų | 151.4 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | -172 | 108 | 162 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 124 | R | 50.8 | Low | 51.4 | Low | 249 Ų | 249 | 154.5 Ų | 154.5 | 94% | 0.94 | 82% | 0.819 | S | S | * | * | trans | -129.8 | 110.3 | -166.9 | 178 | -167.4 | -171.9 | -177.9 | 4.8 | 112.9 | ||||
| 125 | R | 54.8 | Low | 51.8 | Low | 249 Ų | 249 | 153.1 Ų | 153.1 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | trans | -162.7 | 140.8 | 151.7 | -127.8 | 167.9 | 171.9 | 141.5 | -3.8 | 113.9 | ||||
| 126 | K | 53.8 | Low | 52.4 | Low | 202 Ų | 202 | 153.8 Ų | 153.8 | 88% | 0.878 | 81% | 0.813 | S | S | * | * | trans | -114.1 | 138.1 | 175.2 | -60.8 | 179.3 | 175.5 | -173.1 | 0 | 110.1 | ||||
| 127 | Q | 59.2 | Low | 52.8 | Low | 190 Ų | 190 | 153.5 Ų | 153.5 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -153.7 | 115.5 | 147.2 | -62.7 | -169.4 | -53.2 | 0 | 0 | 105 | ||||
| 128 | A | 49.5 | Very low | 53 | Low | 100 Ų | 100 | 157.2 Ų | 157.2 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | 71.3 | 111.5 | 60.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 129 | L | 50.5 | Low | 53.1 | Low | 160 Ų | 160 | 159.2 Ų | 159.2 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | 177.2 | 143.2 | 110.4 | -164.9 | 57.3 | 0 | 0 | 0 | 113.6 | |||||
| 130 | N | 50.3 | Low | 53.9 | Low | 117 Ų | 117 | 158.6 Ų | 158.6 | 63% | 0.626 | 81% | 0.813 | S | S | * | * | trans | -15.9 | 142.2 | 169.1 | -65.9 | 1.5 | 0 | 0 | 0 | 120.2 | ||||
| 131 | Q | 50.7 | Low | 53.6 | Low | 173 Ų | 173 | 157.3 Ų | 157.3 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | 68 | 110.9 | 57.6 | -69.7 | -170.6 | 95.1 | 0 | 0 | 116.1 | |||||
| 132 | M | 54.1 | Low | 53.9 | Low | 179 Ų | 179 | 160 Ų | 160 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -170 | 116.2 | 149.8 | -94.8 | 160.8 | -156 | 0 | 0 | 105.9 | ||||
| 133 | S | 55.1 | Low | 53.6 | Low | 113 Ų | 113 | 162 Ų | 162 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | 65.9 | 131.9 | 92.4 | -53.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 134 | E | 52.4 | Low | 54 | Low | 185 Ų | 185 | 163.2 Ų | 163.2 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | cis | -160 | 177.7 | -5.7 | -115.4 | -154.2 | 150.2 | 0 | 0 | 109.3 | ||||
| 135 | P | 57.6 | Low | 53.6 | Low | 101 Ų | 101 | 163.2 Ų | 163.2 | 66% | 0.656 | 82% | 0.82 | S | S | * | * | trans | -97.3 | -164.5 | -166.8 | 40.6 | -38.6 | 0 | 0 | 0 | 115.9 | ||||
| 136 | V | 58.4 | Low | 53.4 | Low | 140 Ų | 140 | 155.7 Ų | 155.7 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | 69.9 | 124.6 | 174.3 | -57.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 137 | D | 53.6 | Low | 53.1 | Low | 155 Ų | 155 | 153.3 Ų | 153.3 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | -148.7 | 157.1 | 67.3 | -151.6 | -9.4 | 0 | 0 | 0 | 115 | |||||
| 138 | M | 51.9 | Low | 53 | Low | 155 Ų | 155 | 150 Ų | 150 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -95.5 | 147.2 | 175.2 | -85.2 | 167.7 | 42.8 | 0 | 0 | 110.7 | ||||
| 139 | H | 59.8 | Low | 52.7 | Low | 173 Ų | 173 | 152.3 Ų | 152.3 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | trans | 168.2 | 117.1 | 134.5 | -88.7 | -56.1 | 0 | 0 | 0 | 112.7 | ||||
| 140 | P | 62.6 | Low | 52.7 | Low | 113 Ų | 113 | 151.7 Ų | 151.7 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -113.4 | -175 | 131.6 | 38.4 | -31.9 | 0 | 0 | 0 | 108.5 | ||||
| 141 | P | 51.3 | Low | 52.8 | Low | 111 Ų | 111 | 153.4 Ų | 153.4 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | cis | -122.3 | -161.8 | -11.3 | 39.7 | -23.3 | 0 | 0 | 0 | 110.9 | ||||
| 142 | K | 57.2 | Low | 52.2 | Low | 202 Ų | 202 | 153.1 Ų | 153.1 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | -177.4 | 143.6 | 119.8 | -98.1 | 178.7 | -166.5 | -175.6 | 0 | 112.8 | |||||
| 143 | R | 43.1 | Very low | 51.5 | Low | 251 Ų | 251 | 152 Ų | 152 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | trans | -72.3 | 145.8 | 169.9 | -69.4 | 167.9 | 162.1 | 169.4 | -7.6 | 109.9 | ||||
| 144 | S | 56.5 | Low | 50.6 | Low | 109 Ų | 109 | 155.8 Ų | 155.8 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -135.5 | 120.6 | 154.6 | -164.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 145 | R | 42.3 | Very low | 50.4 | Low | 249 Ų | 249 | 154.1 Ų | 154.1 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | trans | -127.3 | 123.3 | 163.4 | -67.6 | 179.3 | 92 | 172.2 | 7.3 | 105.3 | ||||
| 146 | S | 51.4 | Low | 49.4 | Very low | 91 Ų | 91 | 156.8 Ų | 156.8 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | trans | -162.6 | 131.9 | 172 | 55.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 147 | N | 47.1 | Very low | 48.5 | Very low | 153 Ų | 153 | 160.3 Ų | 160.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 65 | 149.8 | 156.1 | -75 | -7.8 | 0 | 0 | 0 | 117.8 | ||||
| 148 | V | 57.6 | Low | 47.8 | Very low | 121 Ų | 121 | 157.4 Ų | 157.4 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | cis | -135.7 | 162.1 | 2.4 | -93 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 149 | D | 44 | Very low | 47.4 | Very low | 148 Ų | 148 | 155 Ų | 155 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -41.3 | 136.5 | 152.3 | -56 | -104.6 | 0 | 0 | 0 | 112.9 | ||||
| 150 | D | 49.6 | Very low | 46.3 | Very low | 147 Ų | 147 | 156.3 Ų | 156.3 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -162.9 | 151.6 | 139.7 | -129.2 | -37.5 | 0 | 0 | 0 | 112.8 | ||||
| 151 | L | 53 | Low | 45.8 | Very low | 152 Ų | 152 | 157 Ų | 157 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | 63.4 | 66.9 | 164.4 | -55.9 | 174.1 | 0 | 0 | 0 | 119.1 | ||||
| 152 | N | 38.6 | Very low | 45.1 | Very low | 167 Ų | 167 | 159 Ų | 159 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -95.1 | 84.8 | 142.2 | 173.3 | 87.1 | 0 | 0 | 0 | 108.8 | ||||
| 153 | E | 37.6 | Very low | 44.8 | Very low | 155 Ų | 155 | 155.1 Ų | 155.1 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | trans | -157.6 | 139.3 | 171.6 | -163.5 | 140.6 | -158.9 | 0 | 0 | 112.3 | ||||
| 154 | Y | 36.7 | Very low | 44.6 | Very low | 193 Ų | 193 | 149.4 Ų | 149.4 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | 56.3 | 100.5 | 173.2 | -86.5 | -120.5 | 0 | 0 | 0 | 118.8 | ||||
| 155 | T | 48.9 | Very low | 44 | Very low | 150 Ų | 150 | 151.7 Ų | 151.7 | 92% | 0.92 | 79% | 0.79 | S | S | * | * | -162.3 | 97 | 113.8 | 31.3 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 156 | N | 37.3 | Very low | 44.6 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -131.2 | 72.5 | 170.7 | -162.9 | 2.7 | 0 | 0 | 0 | 108.7 | ||||
| 157 | Y | 37.6 | Very low | 44.2 | Very low | 214 Ų | 214 | 153.7 Ų | 153.7 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -155.6 | 105 | 177.7 | -94 | -74.1 | 0 | 0 | 0 | 110.3 | ||||
| 158 | A | 39.2 | Very low | 44.2 | Very low | 94 Ų | 94 | 151.7 Ų | 151.7 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -165.2 | 75.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 159 | S | 45 | Very low | 43.3 | Very low | 104 Ų | 104 | 152 Ų | 152 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | 75.5 | 94.1 | 95.9 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | V161 | S159-V161 PolarHBondContact O-N 3.42Š| |||
| 160 | E | 36.2 | Very low | 43.6 | Very low | 200 Ų | 200 | 153.6 Ų | 153.6 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | trans | -50 | 132.2 | 158.3 | -69.8 | 154 | 96.7 | 0 | 0 | 110.1 | ||||
| 161 | V | 50.8 | Low | 43.1 | Very low | 127 Ų | 127 | 152.1 Ų | 152.1 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -126.8 | 99.5 | 163.9 | -175.4 | 0 | 0 | 0 | 0 | 108 | S159 V163 | S159-V161 PolarHBondContact O-N 3.42Å; V161-V163 HydrophobicContact CG1-CG2 4.33Å; V161-V163 PolarHBondContact O-N 3.2Å | ||
| 162 | E | 37.4 | Very low | 42.4 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | -60.3 | 122.8 | 169.4 | -176.4 | -170.7 | 159 | 0 | 0 | 110.2 | Q164 | E162-Q164 PolarHBondContact OE1-NE2 2.99Š| ||
| 163 | V | 51.2 | Low | 42.7 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | trans | -131.5 | 109.9 | 163.8 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | V161 | V161-V163 HydrophobicContact CG1-CG2 4.33Å; V161-V163 PolarHBondContact O-N 3.2Å | ||
| 164 | Q | 37.8 | Very low | 43 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 62% | 0.617 | 78% | 0.782 | S | S | * | * | trans | -78.7 | 126.3 | 172 | -59.4 | 174.5 | 12.3 | 0 | 0 | 109.2 | E162 | E162-Q164 PolarHBondContact OE1-NE2 2.99Š| ||
| 165 | D | 45.1 | Very low | 43.2 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | -120.6 | 120.5 | 166.6 | -114.6 | -50.3 | 0 | 0 | 0 | 111.4 | ||||
| 166 | K | 55.7 | Low | 43.1 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -103.4 | 128.4 | -173.3 | -78.4 | 178 | 178.9 | 167.6 | 0 | 111.1 | ||||
| 167 | K | 42.5 | Very low | 43.2 | Very low | 204 Ų | 204 | 141.9 Ų | 141.9 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | trans | -80.5 | 127.6 | -174.9 | -175.2 | 178.1 | -176.6 | 176.3 | 0 | 113.1 | ||||
| 168 | S | 46.9 | Very low | 43.4 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -164.4 | 102 | 159.7 | -173.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 169 | N | 38.7 | Very low | 43.6 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | 64.1 | 87.4 | 52.1 | -160 | 32.1 | 0 | 0 | 0 | 115.2 | |||||
| 170 | Q | 49.2 | Very low | 43.3 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | -166.2 | 162.3 | 118.2 | -101 | -152.1 | -19.3 | 0 | 0 | 112.3 | |||||
| 171 | P | 40.6 | Very low | 43.8 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | trans | -111.9 | 179.1 | -152.9 | 42.5 | -36.5 | 0 | 0 | 0 | 116.8 | ||||
| 172 | A | 36.7 | Very low | 43.4 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | trans | -45.8 | 154.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 173 | S | 46.4 | Very low | 44 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | -167.8 | 145.6 | 125.9 | 48.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 174 | N | 43.9 | Very low | 43.9 | Very low | 137 Ų | 137 | 142 Ų | 142 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 72.2 | 96.6 | 147.2 | -59.9 | -17.5 | 0 | 0 | 0 | 123 | ||||
| 175 | N | 39.4 | Very low | 44.1 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | 57.6 | 148.3 | 111.9 | -63.6 | -3.7 | 0 | 0 | 0 | 123.3 | |||||
| 176 | K | 47.5 | Very low | 44.1 | Very low | 199 Ų | 199 | 142.3 Ų | 142.3 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | 85.8 | 142 | 173.1 | -62.2 | 179.5 | 175.7 | 177.6 | 0 | 115 | ||||
| 177 | S | 40 | Very low | 43.4 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 56% | 0.559 | 77% | 0.774 | S | S | * | * | cis | -170.3 | 153.3 | -12.5 | -110.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 178 | Y | 40.5 | Very low | 44.1 | Very low | 208 Ų | 208 | 140.5 Ų | 140.5 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | 35 | 117.2 | 151.4 | -47.8 | -61.5 | 0 | 0 | 0 | 120 | ||||
| 179 | S | 44.4 | Very low | 44 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | 168.4 | 130.8 | 93.1 | -84.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 180 | N | 37.9 | Very low | 44.4 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -73.6 | 149.2 | 164.6 | -58.2 | -26.3 | 0 | 0 | 0 | 109.5 | ||||
| 181 | E | 47.2 | Very low | 44.1 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | -177.1 | 148.8 | 121.4 | 47.5 | -162.5 | 82.7 | 0 | 0 | 114.4 | |||||
| 182 | N | 43.2 | Very low | 44.6 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 72.2 | 146.4 | 153.8 | -67.9 | -23.9 | 0 | 0 | 0 | 119.8 | ||||
| 183 | V | 49.2 | Very low | 45 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | cis | -162.5 | 145.4 | -18.4 | 99.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 184 | T | 49.7 | Very low | 44.6 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 24 | 154.3 | 164.3 | 37.8 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 185 | P | 42.3 | Very low | 44.5 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -94.2 | 151.9 | -167.2 | 37.9 | -35.9 | 0 | 0 | 0 | 114.8 | ||||
| 186 | Q | 44.4 | Very low | 44.5 | Very low | 169 Ų | 169 | 148 Ų | 148 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -105.1 | 117.4 | 172.1 | -175.4 | 169.2 | -25.4 | 0 | 0 | 111.6 | ||||
| 187 | K | 41.7 | Very low | 44.6 | Very low | 197 Ų | 197 | 147.3 Ų | 147.3 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -60.6 | 142.5 | 163.5 | -66.4 | 177.7 | 175.5 | -177.5 | 0 | 109.9 | ||||
| 188 | N | 56.5 | Low | 44.6 | Very low | 146 Ų | 146 | 153 Ų | 153 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | -141.7 | 129.3 | 143 | -82.2 | -38.4 | 0 | 0 | 0 | 107.8 | ||||
| 189 | D | 43.8 | Very low | 45.4 | Very low | 150 Ų | 150 | 148.7 Ų | 148.7 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -85.2 | -165.7 | 171.5 | -152.2 | -28.8 | 0 | 0 | 0 | 108.9 | ||||
| 190 | D | 48.6 | Very low | 45.8 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | 80.7 | 91.8 | 166.7 | -56 | -44.7 | 0 | 0 | 0 | 117.7 | ||||
| 191 | G | 43.1 | Very low | 45.8 | Very low | 56 Ų | 56 | 146.3 Ų | 146.3 | 58% | 0.577 | 79% | 0.788 | S | S | * | * | 99.2 | 124.5 | 105.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 192 | H | 49.2 | Very low | 45.8 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | trans | 65.6 | 115.2 | 152.7 | -38.5 | -74 | 0 | 0 | 0 | 116.7 | ||||
| 193 | N | 46.5 | Very low | 46.2 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | -162.7 | 160.4 | 65.5 | -125.3 | -53.9 | 0 | 0 | 0 | 115.4 | |||||
| 194 | I | 37.7 | Very low | 45.9 | Very low | 132 Ų | 132 | 146 Ų | 146 | 68% | 0.677 | 80% | 0.801 | S | S | * | * | trans | -84.2 | 122.2 | 179.8 | -61.9 | 159.5 | 0 | 0 | 0 | 109.1 | K196 | I194-K196 HydrophobicContact CG2-CG 4.37Š| ||
| 195 | L | 41.3 | Very low | 45.6 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -134 | 107.9 | 156.4 | -142.7 | 72 | 0 | 0 | 0 | 112.6 | Q197 | L195-Q197 PolarHBondContact O-N 3.42Š| ||
| 196 | K | 39.2 | Very low | 45.7 | Very low | 185 Ų | 185 | 144 Ų | 144 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -66.4 | 121 | 174.6 | -60.4 | 158.2 | 178.9 | 170 | 0 | 109.3 | I194 | I194-K196 HydrophobicContact CG2-CG 4.37Š| ||
| 197 | Q | 49.5 | Very low | 45.8 | Very low | 185 Ų | 185 | 142.9 Ų | 142.9 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -146.4 | 115.9 | 153.4 | -109.2 | 172.7 | 34.5 | 0 | 0 | 110.9 | L195 | L195-Q197 PolarHBondContact O-N 3.42Š| ||
| 198 | K | 41.6 | Very low | 46.1 | Very low | 200 Ų | 200 | 141.6 Ų | 141.6 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | trans | -83.8 | 143.8 | 163 | -73.2 | 176.5 | 170.2 | -179.7 | 0 | 108.1 | ||||
| 199 | P | 55.7 | Low | 45.3 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -106.9 | 110.4 | 139.2 | 29.6 | -21.4 | 0 | 0 | 0 | 109.9 | ||||
| 200 | V | 53.8 | Low | 45.8 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | 1.2 | 125.6 | 134.4 | -75.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 201 | G | 37 | Very low | 46.1 | Very low | 81 Ų | 81 | 141.3 Ų | 141.3 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -67.2 | 142 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 202 | S | 48.6 | Very low | 46.8 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -99.5 | 116.8 | 170.3 | -166.7 | 0 | 0 | 0 | 0 | 109.5 | L204 | S202-L204 PolarHBondContact O-N 3.47Š| ||
| 203 | T | 49.9 | Very low | 46.8 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -78.1 | 109.9 | 177.5 | 47.5 | 0 | 0 | 0 | 0 | 110.3 | S205 | T203-S205 PolarHBondContact O-N 2.91Š| ||
| 204 | L | 44.2 | Very low | 46.7 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -71.9 | 88.1 | 173.2 | -64.2 | 179.5 | 0 | 0 | 0 | 110.6 | S202 | S202-L204 PolarHBondContact O-N 3.47Š| ||
| 205 | S | 42.1 | Very low | 47.4 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 69% | 0.692 | 82% | 0.816 | S | S | * | * | trans | -135.4 | 74.9 | -179.6 | 57.4 | 0 | 0 | 0 | 0 | 112.2 | T203 | T203-S205 PolarHBondContact O-N 2.91Š| ||
| 206 | S | 44.5 | Very low | 47.4 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -174.6 | 72.1 | 157.4 | -179.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 207 | V | 47.6 | Very low | 48.2 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 87% | 0.873 | 82% | 0.82 | S | S | * | * | trans | -142.1 | 42.8 | 169 | -71.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 208 | L | 47 | Very low | 48.1 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | -159.4 | 94.3 | 164.4 | -143.5 | 69.6 | 0 | 0 | 0 | 113.2 | ||||
| 209 | S | 40.7 | Very low | 48.4 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -167.4 | 73.1 | 165.6 | -83.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 210 | K | 53.7 | Low | 47.9 | Very low | 196 Ų | 196 | 134.2 Ų | 134.2 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | trans | -137.1 | 113 | 155.2 | -75.4 | -173.2 | 178.4 | 177.3 | 0 | 108.2 | I212 | K210-I212 PolarHBondContact O-N 3.24Š| ||
| 211 | P | 56.1 | Low | 47.3 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | -71.6 | 126.6 | 172.7 | 29.3 | -31.7 | 0 | 0 | 0 | 109.1 | S213 | P211-S213 PolarHBondContact O-N 3.38Š| ||
| 212 | I | 55.8 | Low | 47.6 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 77% | 0.774 | 81% | 0.807 | S | S | * | * | trans | -74.5 | 109.4 | 168.3 | -73.2 | 176.4 | 0 | 0 | 0 | 107.5 | K210 L214 | K210-I212 PolarHBondContact O-N 3.24Å; I212-L214 HydrophobicContact CG2-CD1 3.45Å; I212-L214 VanDerWaalsContact CG2-CD1 3.45Å; I212-L214 PolarHBondContact O-N 2.99Å | ||
| 213 | S | 50.7 | Low | 47.3 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -78.5 | 94.6 | 173 | -67 | 0 | 0 | 0 | 0 | 110.4 | P211 A215 | P211-S213 PolarHBondContact O-N 3.38Å; S213-A215 VanDerWaalsContact C-N 3.33Å; S213-A215 PolarHBondContact O-N 3.42Å | ||
| 214 | L | 44.8 | Very low | 47.3 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -72 | 89.2 | 162.4 | -100.3 | 67.7 | 0 | 0 | 0 | 109.2 | I212 | I212-L214 HydrophobicContact CG2-CD1 3.45Å; I212-L214 VanDerWaalsContact CG2-CD1 3.45Å; I212-L214 PolarHBondContact O-N 2.99Å | ||
| 215 | A | 51.1 | Low | 47.2 | Very low | 92 Ų | 92 | 141.1 Ų | 141.1 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -82.4 | 118.7 | 164 | 0 | 0 | 0 | 0 | 0 | 109.1 | S213 | S213-A215 VanDerWaalsContact C-N 3.33Å; S213-A215 PolarHBondContact O-N 3.42Å | ||
| 216 | R | 41.5 | Very low | 47.5 | Very low | 232 Ų | 232 | 144.5 Ų | 144.5 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | trans | -68.1 | 138 | 168.8 | -79.5 | 173.4 | 158.5 | -176.2 | -8.2 | 109.9 | ||||
| 217 | S | 57 | Low | 47.5 | Very low | 127 Ų | 127 | 151.3 Ų | 151.3 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -106.3 | 119.4 | 161.1 | -57.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 218 | D | 46.2 | Very low | 47.6 | Very low | 131 Ų | 131 | 153.7 Ų | 153.7 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -92.4 | 142.6 | 178.2 | -113 | -54.9 | 0 | 0 | 0 | 111.3 | ||||
| 219 | V | 48.2 | Very low | 47.2 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | trans | 15.1 | 125.7 | 162.1 | -71.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 220 | S | 45.9 | Very low | 47.4 | Very low | 105 Ų | 105 | 152.5 Ų | 152.5 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | 174.2 | 157.8 | 73.1 | 43.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 221 | N | 41.5 | Very low | 47 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | 47.4 | 103.9 | 158 | -66.8 | -16.1 | 0 | 0 | 0 | 120.6 | ||||
| 222 | F | 41.8 | Very low | 46.7 | Very low | 193 Ų | 193 | 148.5 Ų | 148.5 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | -154.5 | 135.4 | 107 | -159.6 | -103.7 | 0 | 0 | 0 | 110.4 | |||||
| 223 | D | 43.3 | Very low | 45.8 | Very low | 106 Ų | 106 | 147.1 Ų | 147.1 | 57% | 0.567 | 78% | 0.781 | S | S | * | * | trans | -89.9 | 115.4 | 176.3 | -169.7 | -30 | 0 | 0 | 0 | 107.4 | R225 | D223-R225 IonicContact OD1-NE 2.95Å; D223-R225 PolarHBondContact OD1-NE 3.28Å; D223-R225 IonicContact OD1-NH2 3.22Å; D223-R225 IonicContact OD2-NH2 3.92Å | ||
| 224 | D | 49.2 | Very low | 45.3 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | -153.5 | 153.7 | 143.6 | -134.7 | -42.6 | 0 | 0 | 0 | 112 | ||||
| 225 | R | 43.1 | Very low | 45.1 | Very low | 166 Ų | 166 | 147 Ų | 147 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | trans | -115.9 | 153.3 | -150.2 | -54.4 | 175.5 | -175.6 | 170.5 | -0.6 | 113.2 | D223 | D223-R225 IonicContact OD1-NE 2.95Å; D223-R225 PolarHBondContact OD1-NE 3.28Å; D223-R225 IonicContact OD1-NH2 3.22Å; D223-R225 IonicContact OD2-NH2 3.92Å | ||
| 226 | H | 48.6 | Very low | 44.5 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | trans | 62.1 | 99.3 | 160.1 | -46 | -63.1 | 0 | 0 | 0 | 117.4 | ||||
| 227 | R | 44.6 | Very low | 44.4 | Very low | 257 Ų | 257 | 142.4 Ų | 142.4 | 97% | 0.97 | 77% | 0.769 | S | S | * | * | -152.3 | 149.4 | 115.4 | -120.5 | 173.8 | 177.6 | -168.2 | -2.4 | 113.2 | |||||
| 228 | K | 49.3 | Very low | 43.5 | Very low | 195 Ų | 195 | 141.3 Ų | 141.3 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | -94.8 | 146.6 | -172 | -63.9 | 176 | 178.5 | 179.9 | 0 | 110.6 | ||||
| 229 | T | 37.9 | Very low | 43.2 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -24.6 | 127.1 | 153 | 50 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 230 | T | 44.7 | Very low | 42.7 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | trans | -155.6 | 137.1 | 130.3 | -153.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 231 | T | 46.5 | Very low | 42.6 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | -97.3 | 142 | 162.6 | -43 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 232 | P | 50.1 | Low | 42.6 | Very low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | trans | -115.3 | 108.4 | 156.8 | 31 | -19.3 | 0 | 0 | 0 | 110.6 | ||||
| 233 | V | 36.4 | Very low | 42.8 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | trans | -61.2 | 133.9 | 142 | 169.1 | 0 | 0 | 0 | 0 | 106.1 | V235 | V233-V235 HydrophobicContact CG1-CG2 4.18Š| ||
| 234 | N | 40.6 | Very low | 43.1 | Very low | 155 Ų | 155 | 142 Ų | 142 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -128.2 | 128.1 | 164 | -147.2 | 30.3 | 0 | 0 | 0 | 111.1 | ||||
| 235 | V | 39.6 | Very low | 43 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 66% | 0.655 | 78% | 0.784 | S | S | * | * | trans | -105.5 | 173.2 | 173.9 | 177.5 | 0 | 0 | 0 | 0 | 106.7 | V233 | V233-V235 HydrophobicContact CG1-CG2 4.18Š| ||
| 236 | I | 38.6 | Very low | 43.7 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | 79.2 | 129.8 | 174.1 | -42.4 | 168.2 | 0 | 0 | 0 | 112.6 | ||||
| 237 | G | 39.1 | Very low | 43.7 | Very low | 62 Ų | 62 | 143 Ų | 143 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | cis | 156.6 | 163.3 | -5.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 238 | S | 38.7 | Very low | 44.5 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 60.8 | 122.2 | 167.5 | -153.1 | 0 | 0 | 0 | 0 | 118.8 | Y240 | S238-Y240 PolarHBondContact OG-OH 3.45Š| ||
| 239 | G | 40 | Very low | 44.7 | Very low | 72 Ų | 72 | 134.7 Ų | 134.7 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | 171.4 | 75.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 240 | Y | 38.2 | Very low | 45.8 | Very low | 203 Ų | 203 | 138 Ų | 138 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | -71 | 120.1 | 175.6 | 10.3 | -103.7 | 0 | 0 | 0 | 112.1 | S238 | S238-Y240 PolarHBondContact OG-OH 3.45Š| ||
| 241 | S | 42.2 | Very low | 46.3 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | -174.6 | 165.1 | 115.1 | -157.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 242 | A | 41.8 | Very low | 47 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | -95.3 | 129.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 243 | N | 46.4 | Very low | 47.4 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -167.5 | 134 | 140.9 | 42 | -3.8 | 0 | 0 | 0 | 113.3 | ||||
| 244 | E | 48.9 | Very low | 48.4 | Very low | 192 Ų | 192 | 141.2 Ų | 141.2 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | 20.4 | 134.2 | 155.6 | -68 | 168.7 | 109.5 | 0 | 0 | 122.1 | ||||
| 245 | S | 47.9 | Very low | 49.3 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -65.5 | 144.9 | 170.1 | 55.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 246 | K | 58.1 | Low | 50.1 | Low | 167 Ų | 167 | 141.3 Ų | 141.3 | 73% | 0.726 | 78% | 0.782 | S | S | * | * | -172 | 139.6 | 117 | -162.6 | 172.3 | 161.2 | -125.1 | 0 | 110.9 | E248 | K246-E248 IonicContact NZ-OE1 3.61Å; K246-E248 PolarHBondContact NZ-OE1 3.47Å | |||
| 247 | Y | 49.2 | Very low | 51 | Low | 214 Ų | 214 | 144.3 Ų | 144.3 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -65.4 | 129.6 | 167.2 | -81.4 | -106.8 | 0 | 0 | 0 | 110.5 | ||||
| 248 | E | 59.8 | Low | 51.8 | Low | 135 Ų | 135 | 149 Ų | 149 | 63% | 0.631 | 79% | 0.794 | S | S | * | * | trans | -135.3 | 117.3 | 151.3 | -65 | -165.4 | 173.2 | 0 | 0 | 108.3 | K246 Y250 | K246-E248 IonicContact NZ-OE1 3.61Å; K246-E248 PolarHBondContact NZ-OE1 3.47Å; E248-Y250 HydrophobicContact CB-CE2 4.47Å | ||
| 249 | D | 54.3 | Low | 52.7 | Low | 143 Ų | 143 | 147.7 Ų | 147.7 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | -67.3 | 130.2 | 172.4 | -67.5 | -60.8 | 0 | 0 | 0 | 109.8 | ||||
| 250 | Y | 60.7 | Low | 53.3 | Low | 208 Ų | 208 | 149.4 Ų | 149.4 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -142.7 | 102 | 156 | -79.4 | -67.9 | 0 | 0 | 0 | 111 | E248 S252 | E248-Y250 HydrophobicContact CB-CE2 4.47Å; Y250-S252 PolarHBondContact O-N 3.48Å | ||
| 251 | D | 56.2 | Low | 54.4 | Low | 164 Ų | 164 | 147.7 Ų | 147.7 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -54.8 | 124.4 | 152.5 | -88.6 | -45.1 | 0 | 0 | 0 | 109.3 | ||||
| 252 | S | 61 | Low | 54.8 | Low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -176.5 | 112.5 | 133.3 | -106 | 0 | 0 | 0 | 0 | 108 | Y250 | Y250-S252 PolarHBondContact O-N 3.48Š| ||
| 253 | D | 56.8 | Low | 55.1 | Low | 139 Ų | 139 | 144.6 Ų | 144.6 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | 94 | 134.7 | 68.9 | -158.6 | 20.1 | 0 | 0 | 0 | 110.8 | |||||
| 254 | D | 57.9 | Low | 55.1 | Low | 139 Ų | 139 | 141.6 Ų | 141.6 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | 21.5 | 122.1 | 175.6 | -73.1 | -22.3 | 0 | 0 | 0 | 120.6 | ||||
| 255 | S | 60.2 | Low | 55 | Low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | 178 | 141.1 | 90.2 | 39.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 256 | D | 55.5 | Low | 55.1 | Low | 150 Ų | 150 | 142.2 Ų | 142.2 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -34.5 | 136.3 | 168.8 | -48.5 | -55.6 | 0 | 0 | 0 | 116.9 | ||||
| 257 | Y | 58.7 | Low | 54.9 | Low | 229 Ų | 229 | 140.7 Ų | 140.7 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | -155.1 | 127.3 | 126.2 | -141.2 | -105.6 | 0 | 0 | 0 | 114.3 | |||||
| 258 | D | 56.4 | Low | 55.3 | Low | 160 Ų | 160 | 136.6 Ų | 136.6 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -69.1 | 147.5 | 171.8 | -80.5 | -61 | 0 | 0 | 0 | 112.6 | ||||
| 259 | G | 56.9 | Low | 54.6 | Low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -166.3 | 80.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 260 | A | 53.3 | Low | 55 | Low | 109 Ų | 109 | 134.3 Ų | 134.3 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -71.4 | 141 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 261 | D | 61.1 | Low | 54.6 | Low | 167 Ų | 167 | 131.9 Ų | 131.9 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -120.6 | 147.9 | 156.9 | -177.3 | 26.8 | 0 | 0 | 0 | 109.2 | ||||
| 262 | G | 50.5 | Low | 54.7 | Low | 66 Ų | 66 | 133.6 Ų | 133.6 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | -158.1 | 145.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 263 | G | 47.9 | Very low | 54.4 | Low | 80 Ų | 80 | 137.2 Ų | 137.2 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | 109.8 | 71.7 | 158 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 264 | G | 45.3 | Very low | 54 | Low | 88 Ų | 88 | 135.4 Ų | 135.4 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | 46.9 | 115 | 124.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 265 | G | 47.5 | Very low | 54 | Low | 76 Ų | 76 | 137.1 Ų | 137.1 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | -147.6 | 91.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 266 | R | 49.9 | Very low | 53.6 | Low | 250 Ų | 250 | 140.3 Ų | 140.3 | 94% | 0.943 | 83% | 0.83 | S | S | * | * | trans | 18.7 | 135.8 | 145.2 | -68.1 | 179 | 165.2 | -159.8 | -5.9 | 121.6 | ||||
| 267 | T | 54.2 | Low | 53.6 | Low | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | trans | -76.2 | 162.4 | 158.5 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 268 | P | 56.5 | Low | 53.3 | Low | 129 Ų | 129 | 139.8 Ų | 139.8 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | -132.2 | 167.6 | 113.8 | 20 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 269 | G | 46.9 | Very low | 53.3 | Low | 73 Ų | 73 | 141.5 Ų | 141.5 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | trans | -102.4 | 174.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 270 | E | 61.1 | Low | 53.1 | Low | 157 Ų | 157 | 147.4 Ų | 147.4 | 73% | 0.734 | 84% | 0.84 | S | S | * | * | trans | -138.8 | 136.4 | 169.7 | -66.4 | -175 | 161.8 | 0 | 0 | 109 | Y272 | E270-Y272 HydrophobicContact CB-CE2 4.09Å; E270-Y272 PolarHBondContact OE2-OH 3.43Å | ||
| 271 | D | 52.2 | Low | 53.5 | Low | 156 Ų | 156 | 151.4 Ų | 151.4 | 83% | 0.834 | 84% | 0.84 | S | S | * | * | trans | -91.6 | 146.6 | 179.9 | -54.2 | -71.4 | 0 | 0 | 0 | 111 | ||||
| 272 | Y | 59.7 | Low | 53.3 | Low | 200 Ų | 200 | 152.5 Ų | 152.5 | 78% | 0.784 | 84% | 0.84 | S | S | * | * | trans | -140.2 | 121.6 | 167.2 | -66.2 | -77.8 | 0 | 0 | 0 | 110.4 | E270 | E270-Y272 HydrophobicContact CB-CE2 4.09Å; E270-Y272 PolarHBondContact OE2-OH 3.43Å | ||
| 273 | E | 53.3 | Low | 53.6 | Low | 187 Ų | 187 | 158.6 Ų | 158.6 | 87% | 0.874 | 85% | 0.851 | S | S | * | * | trans | -93.5 | 154.3 | -179.7 | -84.4 | 178.2 | 127.9 | 0 | 0 | 112.8 | ||||
| 274 | S | 49 | Very low | 54.2 | Low | 102 Ų | 102 | 164.3 Ų | 164.3 | 71% | 0.713 | 86% | 0.856 | S | S | * | * | trans | 49 | 127.6 | 146.1 | -55.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 275 | D | 58.3 | Low | 55 | Low | 175 Ų | 175 | 169.1 Ų | 169.1 | 94% | 0.936 | 86% | 0.855 | S | S | * | * | -148.8 | 142.4 | 129.2 | -98 | -33.2 | 0 | 0 | 0 | 109.4 | |||||
| 276 | E | 51.6 | Low | 55.5 | Low | 182 Ų | 182 | 174.2 Ų | 174.2 | 85% | 0.85 | 86% | 0.858 | S | S | * | * | trans | -110.9 | 141.3 | 177.5 | -62.7 | 179.1 | 157.1 | 0 | 0 | 109.9 | ||||
| 277 | E | 55.4 | Low | 56 | Low | 186 Ų | 186 | 171.3 Ų | 171.3 | 87% | 0.869 | 86% | 0.855 | S | S | * | * | trans | -173.9 | 107.5 | 154.9 | -105.4 | 160.6 | -152.4 | 0 | 0 | 106.9 | ||||
| 278 | Q | 53 | Low | 56.6 | Low | 182 Ų | 182 | 169 Ų | 169 | 85% | 0.85 | 85% | 0.85 | S | S | * | * | 62.1 | 107.1 | 92.1 | -85 | -177.9 | 67.5 | 0 | 0 | 115.4 | |||||
| 279 | E | 56 | Low | 57 | Low | 196 Ų | 196 | 169.7 Ų | 169.7 | 92% | 0.916 | 85% | 0.846 | S | S | * | * | trans | -165 | 100.7 | 146.9 | -110 | 165.8 | -151.9 | 0 | 0 | 108.2 | ||||
| 280 | E | 52.4 | Low | 57.9 | Low | 200 Ų | 200 | 173.9 Ų | 173.9 | 94% | 0.935 | 85% | 0.852 | S | S | * | * | trans | -102.8 | 125.5 | 163.8 | -70.1 | -179.1 | 156.2 | 0 | 0 | 106.7 | ||||
| 281 | E | 62.5 | Low | 58 | Low | 194 Ų | 194 | 171.6 Ų | 171.6 | 91% | 0.907 | 85% | 0.845 | S | S | * | * | trans | -127.4 | 145.7 | 166.6 | -78.2 | -164.3 | 153.7 | 0 | 0 | 110.6 | ||||
| 282 | E | 57.1 | Low | 58.4 | Low | 189 Ų | 189 | 171.4 Ų | 171.4 | 88% | 0.883 | 84% | 0.839 | S | S | * | * | trans | -91 | 156.8 | -163.5 | -54.9 | 165.6 | 143 | 0 | 0 | 111.8 | ||||
| 283 | E | 57 | Low | 58.9 | Low | 194 Ų | 194 | 169.4 Ų | 169.4 | 91% | 0.907 | 84% | 0.842 | S | S | * | * | trans | -176.9 | 88.2 | 141.7 | -104.6 | 171.7 | -158.3 | 0 | 0 | 109.8 | ||||
| 284 | E | 59.8 | Low | 59.6 | Low | 200 Ų | 200 | 169.3 Ų | 169.3 | 94% | 0.935 | 83% | 0.834 | S | S | * | * | trans | -100.6 | 112 | 157.6 | -75.4 | -170.5 | 149.4 | 0 | 0 | 107.7 | ||||
| 285 | E | 61 | Low | 60.5 | Low | 190 Ų | 190 | 171.3 Ų | 171.3 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | trans | -91.7 | 138.4 | 168.1 | -77 | -162.7 | 145.3 | 0 | 0 | 111 | ||||
| 286 | E | 59.2 | Low | 60.9 | Low | 183 Ų | 183 | 175.7 Ų | 175.7 | 86% | 0.855 | 85% | 0.852 | S | S | * | * | trans | -76.1 | 127.5 | -168.7 | -58.3 | -179.1 | 144.4 | 0 | 0 | 113.9 | ||||
| 287 | E | 60.1 | Low | 61.3 | Low | 188 Ų | 188 | 175.4 Ų | 175.4 | 88% | 0.879 | 85% | 0.852 | S | S | * | * | trans | -96.2 | 81.8 | 157.8 | -80.3 | -85.8 | -167.8 | 0 | 0 | 108.7 | D289 | E287-D289 VanDerWaalsContact C-N 3.35Å; E287-D289 PolarHBondContact O-N 2.95Å; E287-D289 VanDerWaalsContact O-N 3.17Å | ||
| 288 | A | 65.6 | Low | 61.6 | Low | 86 Ų | 86 | 174.8 Ų | 174.8 | 71% | 0.711 | 85% | 0.851 | S | S | * | * | trans | -84.3 | 76.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | D290 | A288-D290 VanDerWaalsContact C-N 3.34Å; A288-D290 PolarHBondContact O-N 2.93Å; A288-D290 VanDerWaalsContact O-N 3.1Å | ||
| 289 | D | 66.1 | Low | 62.1 | Low | 143 Ų | 143 | 174.4 Ų | 174.4 | 77% | 0.765 | 85% | 0.851 | S | S | * | * | trans | -72.1 | 87.8 | 162.2 | -175.2 | 23.8 | 0 | 0 | 0 | 108.6 | E287 | E287-D289 VanDerWaalsContact C-N 3.35Å; E287-D289 PolarHBondContact O-N 2.95Å; E287-D289 VanDerWaalsContact O-N 3.17Å | ||
| 290 | D | 65.8 | Low | 62.5 | Low | 162 Ų | 162 | 173.2 Ų | 173.2 | 87% | 0.866 | 85% | 0.848 | S | S | * | * | trans | -119.2 | 114.9 | 167.2 | -139.6 | 1.6 | 0 | 0 | 0 | 110.1 | A288 | A288-D290 VanDerWaalsContact C-N 3.34Å; A288-D290 PolarHBondContact O-N 2.93Å; A288-D290 VanDerWaalsContact O-N 3.1Å | ||
| 291 | N | 62.5 | Low | 63.1 | Low | 109 Ų | 109 | 171.5 Ų | 171.5 | 58% | 0.583 | 84% | 0.842 | S | S | * | * | trans | -109.8 | 151.5 | -163.9 | -178.9 | 39.5 | 0 | 0 | 0 | 108.4 | ||||
| 292 | E | 61.8 | Low | 63.2 | Low | 152 Ų | 152 | 170 Ų | 170 | 71% | 0.71 | 84% | 0.838 | S | S | * | * | trans | 63.3 | 102.9 | 169.7 | -60.9 | 167.3 | -140.4 | 0 | 0 | 117.8 | ||||
| 293 | D | 69.9 | Low | 63.6 | Low | 158 Ų | 158 | 168.6 Ų | 168.6 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | -149.7 | 153.7 | 122.4 | -142.5 | -7.1 | 0 | 0 | 0 | 113.9 | |||||
| 294 | Y | 67.6 | Low | 64.1 | Low | 184 Ų | 184 | 166.7 Ų | 166.7 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | trans | -72.3 | 156.3 | -156.9 | -83.1 | -118.1 | 0 | 0 | 0 | 118.6 | ||||
| 295 | D | 68.6 | Low | 64.5 | Low | 144 Ų | 144 | 163.9 Ų | 163.9 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | trans | 20.6 | 122.1 | 136.7 | -58.6 | -31.6 | 0 | 0 | 0 | 120.5 | ||||
| 296 | E | 65.2 | Low | 64.8 | Low | 268 Ų | 268 | 161.5 Ų | 161.5 | 100% | 1.252 | 81% | 0.814 | S | S | * | * | -164.8 | 0 | 102.1 | -166 | 162.4 | -157.8 | 0 | 0 | 112.6 |
Retrieved 296 of 296 residues in 402.5 ms
(Link to these results)